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)CN1CCN(C(=O)CCc2ccncc2)C[C@H]1CCO ZINC000952976921 721530935 /nfs/dbraw/zinc/53/09/35/721530935.db2.gz YFZZCPMVXKHASF-QGZVFWFLSA-N 0 3 319.449 1.565 50 0 DDAAHN Cc1nn(C)c2nc(N3CCC(OCCN(C)C)CC3)sc12 ZINC000095527517 185378406 /nfs/dbraw/zinc/37/84/06/185378406.db2.gz QJMMDXBKPGHXMR-UHFFFAOYSA-N 0 3 323.466 1.885 50 0 DDAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCOCC1 ZINC000053548224 295679368 /nfs/dbraw/zinc/67/93/68/295679368.db2.gz PIHGTSLFKFNRDA-CYBMUJFWSA-N 0 3 309.435 1.927 50 0 DDAAHN O=C(NC[C@H]1CCCO1)NCC1CCN(c2ccncc2)CC1 ZINC000092853456 185346658 /nfs/dbraw/zinc/34/66/58/185346658.db2.gz KAMCEBDURGOHDZ-MRXNPFEDSA-N 0 3 318.421 1.776 50 0 DDAAHN Cc1ncsc1CN(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000095409810 185357059 /nfs/dbraw/zinc/35/70/59/185357059.db2.gz AIHMAIBJDULAOK-LBPRGKRZSA-N 0 3 317.480 1.555 50 0 DDAAHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000095433911 185364164 /nfs/dbraw/zinc/36/41/64/185364164.db2.gz QYMOLHBLKPGXHB-CQSZACIVSA-N 0 3 312.391 1.024 50 0 DDAAHN N[C@H]1COC[C@H]1Oc1cnn(CCc2noc3ccccc23)c1 ZINC000685942138 539566901 /nfs/dbraw/zinc/56/69/01/539566901.db2.gz GIQOVRPHWMJNAQ-XJKSGUPXSA-N 0 3 314.345 1.372 50 0 DDAAHN CCn1c(C)nnc1CN(C)[C@@H]1CCN(CCn2cccn2)C1 ZINC000083836870 192385725 /nfs/dbraw/zinc/38/57/25/192385725.db2.gz HXGQWZOTWCAGEX-OAHLLOKOSA-N 0 3 317.441 1.009 50 0 DDAAHN CN(C)C[C@@]1(O)CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 ZINC000072153583 191058044 /nfs/dbraw/zinc/05/80/44/191058044.db2.gz XCSRPEUACONZMF-KRWDZBQOSA-N 0 3 314.389 1.215 50 0 DDAAHN Cc1cc(C(=O)N(Cc2ccncc2)C2CCN(C)CC2)[nH]n1 ZINC000072473752 191178104 /nfs/dbraw/zinc/17/81/04/191178104.db2.gz BSLNQAFQDFMKRC-UHFFFAOYSA-N 0 3 313.405 1.850 50 0 DDAAHN Cc1cc(C(=O)N(Cc2ccncc2)C2CCN(C)CC2)n[nH]1 ZINC000072473752 191178105 /nfs/dbraw/zinc/17/81/05/191178105.db2.gz BSLNQAFQDFMKRC-UHFFFAOYSA-N 0 3 313.405 1.850 50 0 DDAAHN CC(C)N1CC[C@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000075125914 353349017 /nfs/dbraw/zinc/34/90/17/353349017.db2.gz CDDMAAIRJZHCHL-LBPRGKRZSA-N 0 3 315.373 1.847 50 0 DDAAHN Cc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)n1C ZINC000076092570 353398151 /nfs/dbraw/zinc/39/81/51/353398151.db2.gz VPDYUALFDVHARB-UHFFFAOYSA-N 0 3 319.449 1.985 50 0 DDAAHN Cc1nnc(CN(C)[C@H]2CCN(CCc3ccncc3)C2)o1 ZINC000078891315 353537759 /nfs/dbraw/zinc/53/77/59/353537759.db2.gz RJVNSSPSSACFMY-HNNXBMFYSA-N 0 3 301.394 1.522 50 0 DDAAHN CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1ncc[nH]1 ZINC000084736263 353727527 /nfs/dbraw/zinc/72/75/27/353727527.db2.gz UPNOWVSLADGXLL-STQMWFEESA-N 0 3 314.455 1.338 50 0 DDAAHN NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000004278238 181091465 /nfs/dbraw/zinc/09/14/65/181091465.db2.gz YKESGDAJVLVZAA-UHFFFAOYSA-N 0 3 301.434 1.992 50 0 DDAAHN COCC[C@H]1CN(C(=O)C2(N3CCCC3)CCCC2)CCO1 ZINC000584889137 354791376 /nfs/dbraw/zinc/79/13/76/354791376.db2.gz VABMOPORBCPPSL-HNNXBMFYSA-N 0 3 310.438 1.659 50 0 DDAAHN CC[C@H]1CCCCN1CC(=O)N1CCN(CCCCO)CC1 ZINC000584898250 354798215 /nfs/dbraw/zinc/79/82/15/354798215.db2.gz UDDYLOOSWJSNHR-INIZCTEOSA-N 0 3 311.470 1.168 50 0 DDAAHN CCCO[C@H](C)CNC(=O)N1CCN(c2ccncc2)CC1 ZINC000584903679 354801658 /nfs/dbraw/zinc/80/16/58/354801658.db2.gz BCZIAHYDXDLHAK-CQSZACIVSA-N 0 3 306.410 1.728 50 0 DDAAHN N[C@H](CC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1ccccc1 ZINC000237842019 202367252 /nfs/dbraw/zinc/36/72/52/202367252.db2.gz YABKZXANQXLNGO-OWCLPIDISA-N 0 3 304.390 1.483 50 0 DDAAHN Cn1c(Cn2cccn2)nnc1C1CCN(c2ccncc2)CC1 ZINC000091289396 193031325 /nfs/dbraw/zinc/03/13/25/193031325.db2.gz SXYUPEGPHXEJEA-UHFFFAOYSA-N 0 3 323.404 1.839 50 0 DDAAHN OCCN1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000091663869 193086422 /nfs/dbraw/zinc/08/64/22/193086422.db2.gz SCZMEYJBBMIBAU-UHFFFAOYSA-N 0 3 316.409 1.030 50 0 DDAAHN O=C1CCC2(CCN(Cc3cccnc3)CC2)CN1CCCO ZINC000091625221 193080333 /nfs/dbraw/zinc/08/03/33/193080333.db2.gz VNJYVHOZHBMRGY-UHFFFAOYSA-N 0 3 317.433 1.669 50 0 DDAAHN CNCC(=O)N[C@@H](C)c1cnc(N2CCCCCCC2)nc1C ZINC000091907873 193125067 /nfs/dbraw/zinc/12/50/67/193125067.db2.gz WOSDBTYBOHSCOY-ZDUSSCGKSA-N 0 3 319.453 1.952 50 0 DDAAHN CCn1nc(C(C)C)cc1C(=O)NCCN1CCC[C@H](CO)C1 ZINC000092107861 193160225 /nfs/dbraw/zinc/16/02/25/193160225.db2.gz ALVNDBYQXJKWPB-AWEZNQCLSA-N 0 3 322.453 1.461 50 0 DDAAHN O[C@@H](Cc1ccccc1)C1CCN(CCn2cncn2)CC1 ZINC000019112969 182104753 /nfs/dbraw/zinc/10/47/53/182104753.db2.gz YWYMXTXPNKKDNN-KRWDZBQOSA-N 0 3 300.406 1.594 50 0 DDAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NC(C)(C)C)C2=O)cc1 ZINC000019530809 182128511 /nfs/dbraw/zinc/12/85/11/182128511.db2.gz FQPZILMEBNGULO-CYBMUJFWSA-N 0 3 318.373 1.883 50 0 DDAAHN O=S(=O)([N-]C[C@H]1CCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000020473823 182221627 /nfs/dbraw/zinc/22/16/27/182221627.db2.gz RRPRDUGCQMLPNH-JTQLQIEISA-N 0 3 322.352 1.983 50 0 DDAAHN CC(=O)Nc1ccc(CN2CCN(C(C)C)[C@@H](CCO)C2)cc1 ZINC000020500461 182225375 /nfs/dbraw/zinc/22/53/75/182225375.db2.gz MZOLXRMTQIVKLD-SFHVURJKSA-N 0 3 319.449 1.922 50 0 DDAAHN CCc1ccc(CCC(=O)NCCCN2CCN(C)CC2)cc1 ZINC000020726225 182244415 /nfs/dbraw/zinc/24/44/15/182244415.db2.gz VPUDIZLWCCZGBE-UHFFFAOYSA-N 0 3 317.477 1.935 50 0 DDAAHN Cc1ccc(-n2cccn2)c(CN2CCN(C)[C@@H](CCO)C2)c1 ZINC000020913851 182253536 /nfs/dbraw/zinc/25/35/36/182253536.db2.gz KWLZVVRBXFCFEE-KRWDZBQOSA-N 0 3 314.433 1.679 50 0 DDAAHN O[C@H](CN(Cc1cccs1)C[C@@H]1CCCO1)Cn1cccn1 ZINC000106107531 194186120 /nfs/dbraw/zinc/18/61/20/194186120.db2.gz CQGYLNQBQNXSED-CABCVRRESA-N 0 3 321.446 1.987 50 0 DDAAHN C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)N(C)C1CC1 ZINC000057710158 184048440 /nfs/dbraw/zinc/04/84/40/184048440.db2.gz LTCGHINFBIDCDH-JSGCOSHPSA-N 0 3 307.438 1.234 50 0 DDAAHN CN(C)CC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000065287423 184322781 /nfs/dbraw/zinc/32/27/81/184322781.db2.gz MEVJIYDAAAFKQX-UHFFFAOYSA-N 0 3 313.405 1.739 50 0 DDAAHN C[NH+](C)CC(=O)N1CCC(c2nnc(-c3ccccc3)[n-]2)CC1 ZINC000065287423 184322783 /nfs/dbraw/zinc/32/27/83/184322783.db2.gz MEVJIYDAAAFKQX-UHFFFAOYSA-N 0 3 313.405 1.739 50 0 DDAAHN CN(C)CC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000065287423 184322785 /nfs/dbraw/zinc/32/27/85/184322785.db2.gz MEVJIYDAAAFKQX-UHFFFAOYSA-N 0 3 313.405 1.739 50 0 DDAAHN CN(CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C1CC1 ZINC000065403728 184337118 /nfs/dbraw/zinc/33/71/18/184337118.db2.gz QPRGHELEOPFSLJ-OAHLLOKOSA-N 0 3 315.417 1.246 50 0 DDAAHN CCN(CC)c1cc(N2CC(N3CCCC[C@H]3C)C2)nc(N)n1 ZINC000065504439 184356100 /nfs/dbraw/zinc/35/61/00/184356100.db2.gz NXVGYWMIJAJOFC-CYBMUJFWSA-N 0 3 318.469 1.968 50 0 DDAAHN Cn1ncc2c1ncnc2N1CCN(C)C[C@H]1Cc1ccccc1 ZINC000521396649 257240536 /nfs/dbraw/zinc/24/05/36/257240536.db2.gz YCHXDYSGXOGSEE-OAHLLOKOSA-N 0 3 322.416 1.726 50 0 DDAAHN CN(C)c1ncccc1C(=O)N1CCC[C@H]1[C@H]1CCCN1C ZINC000069535609 406732370 /nfs/dbraw/zinc/73/23/70/406732370.db2.gz GSSKUQWHGAZJFJ-CABCVRRESA-N 0 3 302.422 1.846 50 0 DDAAHN COCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000006882439 406741053 /nfs/dbraw/zinc/74/10/53/406741053.db2.gz PHPQLFQFHUUFMA-UHFFFAOYSA-N 0 3 324.421 1.725 50 0 DDAAHN c1ncn(C[C@H]2CCCN(Cc3cccc4c3OCCO4)C2)n1 ZINC000069630216 406749513 /nfs/dbraw/zinc/74/95/13/406749513.db2.gz DLUCTKXJPQWOHI-AWEZNQCLSA-N 0 3 314.389 1.962 50 0 DDAAHN CN(CCC(=O)N1CCOCC1)CCN(C)c1ccccc1 ZINC000069740675 406765308 /nfs/dbraw/zinc/76/53/08/406765308.db2.gz GBGXBPXEVRCCSU-UHFFFAOYSA-N 0 3 305.422 1.304 50 0 DDAAHN CC(C)(C)c1ccc(OC[C@H](O)CN(CCO)CCO)cc1 ZINC000003151867 406714445 /nfs/dbraw/zinc/71/44/45/406714445.db2.gz LUTMOSWXQHQGSH-OAHLLOKOSA-N 0 3 311.422 1.010 50 0 DDAAHN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCN(C)C ZINC000003276833 406717686 /nfs/dbraw/zinc/71/76/86/406717686.db2.gz IKWFYPUTQSTJBY-ZDUSSCGKSA-N 0 3 319.449 1.780 50 0 DDAAHN c1nc2n(n1)C[C@H](NCc1ccnc(-c3ccccc3)n1)CC2 ZINC000069491550 406723031 /nfs/dbraw/zinc/72/30/31/406723031.db2.gz DQMDLWDUPFGUTP-OAHLLOKOSA-N 0 3 306.373 1.840 50 0 DDAAHN Cc1cnn(C[C@H](C)NCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000069490074 406723504 /nfs/dbraw/zinc/72/35/04/406723504.db2.gz UIXGMZUKYICFET-ZDUSSCGKSA-N 0 3 307.419 1.773 50 0 DDAAHN C[C@H](C(=O)NCC1CCCCC1)N1CCO[C@H](CN(C)C)C1 ZINC000069846247 406781653 /nfs/dbraw/zinc/78/16/53/406781653.db2.gz KNKXESBZFYPCNI-GDBMZVCRSA-N 0 3 311.470 1.334 50 0 DDAAHN CN(C)C[C@H]1CN(Cc2csc(-c3ncccn3)n2)CCO1 ZINC000069818943 406776185 /nfs/dbraw/zinc/77/61/85/406776185.db2.gz OOMPESBUZOZPST-ZDUSSCGKSA-N 0 3 319.434 1.363 50 0 DDAAHN CC(C)[C@H](C(=O)NCCCn1ccccc1=O)N1CCCCC1 ZINC000069898947 406788656 /nfs/dbraw/zinc/78/86/56/406788656.db2.gz PCZYMLXCGFZOQH-QGZVFWFLSA-N 0 3 319.449 1.865 50 0 DDAAHN Cc1ccc(N2CCC[C@@H]([NH2+]Cc3nc(C)ccc3[O-])C2)nn1 ZINC000071877210 406859397 /nfs/dbraw/zinc/85/93/97/406859397.db2.gz OUMHWEINAXRHRL-CQSZACIVSA-N 0 3 313.405 1.953 50 0 DDAAHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000071876863 406859779 /nfs/dbraw/zinc/85/97/79/406859779.db2.gz APFXFVVMAXHYED-TXCZRRACSA-N 0 3 322.453 1.027 50 0 DDAAHN CC(C)C[C@H](CNC(=O)CN1CCC[C@H]1C)N1CCOCC1 ZINC000071916676 406868212 /nfs/dbraw/zinc/86/82/12/406868212.db2.gz QWZONTGHZDPMMN-HZPDHXFCSA-N 0 3 311.470 1.334 50 0 DDAAHN CC(C)N1CCC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000014971985 406877758 /nfs/dbraw/zinc/87/77/58/406877758.db2.gz DSQALZCZDVFDCX-CQSZACIVSA-N 0 3 300.366 1.474 50 0 DDAAHN N=C1NC(Nc2ccccc2)=N[C@@]2(N1)c1ccccc1NC2=O ZINC000019319842 406885342 /nfs/dbraw/zinc/88/53/42/406885342.db2.gz QHFUKYFXDBWFQF-INIZCTEOSA-N 0 3 306.329 1.178 50 0 DDAAHN Cn1c2ccc(CNCCOc3ccccn3)cc2n(C)c1=O ZINC000035287296 406970395 /nfs/dbraw/zinc/97/03/95/406970395.db2.gz GJPRVQOPPMJIBN-UHFFFAOYSA-N 0 3 312.373 1.441 50 0 DDAAHN COS(=O)(=O)N[C@H](c1ccccc1)[C@H](N)c1ccccc1 ZINC000029786627 406927361 /nfs/dbraw/zinc/92/73/61/406927361.db2.gz YVWBLOGFTFHGMC-HUUCEWRRSA-N 0 3 306.387 1.909 50 0 DDAAHN CCCS(=O)(=O)N1CCC(CN2CCN(C)C[C@@H]2C)CC1 ZINC000085468275 407102482 /nfs/dbraw/zinc/10/24/82/407102482.db2.gz DFFCOTYBPRERSJ-AWEZNQCLSA-N 0 3 317.499 1.074 50 0 DDAAHN C[C@H]1CN(C)CCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000089938333 407161171 /nfs/dbraw/zinc/16/11/71/407161171.db2.gz NYTRDTYDGZSQEF-NSHDSACASA-N 0 3 302.353 1.992 50 0 DDAAHN CN(CCNC(=O)[C@H]1CCN(C)C(=O)C1)Cc1ccccc1 ZINC000053348623 407167584 /nfs/dbraw/zinc/16/75/84/407167584.db2.gz OICVXFMXDFRYBM-HNNXBMFYSA-N 0 3 303.406 1.103 50 0 DDAAHN OC1(CNCc2cnc(N3CCOCC3)nc2)CCCCC1 ZINC000096403165 407260010 /nfs/dbraw/zinc/26/00/10/407260010.db2.gz YHQBKXNNDODZOW-UHFFFAOYSA-N 0 3 306.410 1.098 50 0 DDAAHN COC(=O)[C@@H]1CC(=O)N([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000095919657 407215186 /nfs/dbraw/zinc/21/51/86/407215186.db2.gz DRUJCAWXFFYOAX-CABCVRRESA-N 0 3 302.374 1.282 50 0 DDAAHN FC(F)(F)c1cc(N2CCN3CCC[C@@H]3C2)n2ncnc2n1 ZINC000058308288 407220108 /nfs/dbraw/zinc/22/01/08/407220108.db2.gz QESOXJIZPDFRBW-SECBINFHSA-N 0 3 312.299 1.428 50 0 DDAAHN C/C=C/C=C\C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000096102394 407236861 /nfs/dbraw/zinc/23/68/61/407236861.db2.gz CBHBPRYNLKHJGR-PJNNUHLNSA-N 0 3 300.402 1.870 50 0 DDAAHN CC1CCN(C[C@@H](O)CN2C(=O)CC3(CCCCC3)C2=O)CC1 ZINC000065170772 407240551 /nfs/dbraw/zinc/24/05/51/407240551.db2.gz OBPOSZOKMMBHBP-OAHLLOKOSA-N 0 3 322.449 1.789 50 0 DDAAHN COc1cccc(-c2cc(NC(=O)NCCN(C)C)n(C)n2)c1 ZINC000097142036 407282824 /nfs/dbraw/zinc/28/28/24/407282824.db2.gz KAWQIBXIALPKAH-UHFFFAOYSA-N 0 3 317.393 1.779 50 0 DDAAHN COc1ccc([C@@H](C)N(C)C(=O)CN2CCCN(C)CC2)cc1 ZINC000067947772 407291623 /nfs/dbraw/zinc/29/16/23/407291623.db2.gz SKRWVAWJHFQSEH-OAHLLOKOSA-N 0 3 319.449 1.852 50 0 DDAAHN CS(=O)(=O)C1(CNCc2cccc3c[nH]nc32)CCOCC1 ZINC000098018992 407304006 /nfs/dbraw/zinc/30/40/06/407304006.db2.gz GAXYXIOZWYEKPU-UHFFFAOYSA-N 0 3 323.418 1.246 50 0 DDAAHN CCN1CCN([C@H](C)CNC(=O)/C=C\c2ccncc2)CC1 ZINC000098010005 407304049 /nfs/dbraw/zinc/30/40/49/407304049.db2.gz IEVWAICDCANVLB-FOSCPCJNSA-N 0 3 302.422 1.237 50 0 DDAAHN CCN1CCN(c2ccc(C(=O)N3CCNC[C@H]3C)cc2)CC1 ZINC000124857141 407371698 /nfs/dbraw/zinc/37/16/98/407371698.db2.gz VDVRPDWNBICBRL-OAHLLOKOSA-N 0 3 316.449 1.262 50 0 DDAAHN Cc1nn(C(C)C)cc1CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000253429247 407448401 /nfs/dbraw/zinc/44/84/01/407448401.db2.gz CHOGAJIGEVFZHR-RHSMWYFYSA-N 0 3 306.454 1.925 50 0 DDAAHN Cc1cccc2c(CCNC(=O)C(C)S(C)(=O)=O)c[nH]c21 ZINC000128566131 407551589 /nfs/dbraw/zinc/55/15/89/407551589.db2.gz GIPWKGSJGLAYMX-LLVKDONJSA-N 0 3 308.403 1.568 50 0 DDAAHN O=C(CN1CCNC[C@@H]1c1cccc(F)c1)N1CCCCC1 ZINC000261616295 407553180 /nfs/dbraw/zinc/55/31/80/407553180.db2.gz CKFJMOMPJWEWDT-MRXNPFEDSA-N 0 3 305.397 1.785 50 0 DDAAHN COCCNCCNC(=O)c1cccc(Br)c1C ZINC000152305701 407606671 /nfs/dbraw/zinc/60/66/71/407606671.db2.gz BHOINBOLDKUNLZ-UHFFFAOYSA-N 0 3 315.211 1.723 50 0 DDAAHN C[C@@H]1[C@H](C)OCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000230308238 407685163 /nfs/dbraw/zinc/68/51/63/407685163.db2.gz KIKZHRACJSFHQR-HLLBOEOZSA-N 0 3 319.449 1.515 50 0 DDAAHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2C)C1 ZINC000189298650 408005983 /nfs/dbraw/zinc/00/59/83/408005983.db2.gz CFIWCWPQUYERHJ-GXTWGEPZSA-N 0 3 304.394 1.306 50 0 DDAAHN C[C@H](NCCN1C(=O)CNC1=O)c1ccc2c(c1)CCCC2 ZINC000154333553 408020223 /nfs/dbraw/zinc/02/02/23/408020223.db2.gz FMSQOKISXOJTCP-LBPRGKRZSA-N 0 3 301.390 1.768 50 0 DDAAHN O[C@H](COc1ccccc1)CN1CCCC[C@H]1Cn1cncn1 ZINC000247732641 408506885 /nfs/dbraw/zinc/50/68/85/408506885.db2.gz HYWXHJQHKHJREM-HOTGVXAUSA-N 0 3 316.405 1.573 50 0 DDAAHN CC(=O)N1CC[C@H](CN(C)[C@@H]2CCc3ccccc3NC2=O)C1 ZINC000192129856 408549382 /nfs/dbraw/zinc/54/93/82/408549382.db2.gz OZINYQWLLXMOHR-RHSMWYFYSA-N 0 3 315.417 1.740 50 0 DDAAHN CN1C(=O)C[C@H](NCCC2OCCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000192159293 408553295 /nfs/dbraw/zinc/55/32/95/408553295.db2.gz LGGNFMYGKVHSRU-BBRMVZONSA-N 0 3 324.808 1.964 50 0 DDAAHN CN(Cc1nc2ccccc2o1)C(=O)C[C@@H]1CN(C)CCN1C ZINC000252486492 408797523 /nfs/dbraw/zinc/79/75/23/408797523.db2.gz HMDKDWWXGIKIHM-CYBMUJFWSA-N 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303.410 1.529 50 0 DDAAHN C[C@@H](C(=O)NC1CC1)N1CCC(c2nc(C3CC3)n[nH]2)CC1 ZINC000069011261 406678065 /nfs/dbraw/zinc/67/80/65/406678065.db2.gz ZHZFPMQFSRMKME-JTQLQIEISA-N 0 3 303.410 1.529 50 0 DDAAHN Cc1nc(C)n(C[C@H]2CCCN2CCC(=O)NC2CCCC2)n1 ZINC000069538562 406731277 /nfs/dbraw/zinc/73/12/77/406731277.db2.gz TWVALXLSWYQROG-MRXNPFEDSA-N 0 3 319.453 1.808 50 0 DDAAHN CC(C)c1ccccc1OC[C@@H](O)CN1CCC[C@H](C(N)=O)C1 ZINC000006834798 406741498 /nfs/dbraw/zinc/74/14/98/406741498.db2.gz GVNVYCIATKRBNB-GJZGRUSLSA-N 0 3 320.433 1.747 50 0 DDAAHN C[C@H](NCC(=O)NCCOc1ccccc1)[C@H](C)n1cccn1 ZINC000069741385 406764911 /nfs/dbraw/zinc/76/49/11/406764911.db2.gz OBNSUHNIDAUZGW-GJZGRUSLSA-N 0 3 316.405 1.617 50 0 DDAAHN Cc1cnn(C[C@@H](C)NCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000069490072 406722357 /nfs/dbraw/zinc/72/23/57/406722357.db2.gz UIXGMZUKYICFET-CYBMUJFWSA-N 0 3 307.419 1.773 50 0 DDAAHN O=C(CN1CCCCCC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000008119160 406779233 /nfs/dbraw/zinc/77/92/33/406779233.db2.gz MJDCDHWKJHJUPP-UHFFFAOYSA-N 0 3 319.361 1.939 50 0 DDAAHN CC(C)N1CC[C@H](NC(=O)NC2CCN(CC(F)F)CC2)C1 ZINC000069845353 406782177 /nfs/dbraw/zinc/78/21/77/406782177.db2.gz VHSJQKJIHXJIAH-ZDUSSCGKSA-N 0 3 318.412 1.498 50 0 DDAAHN Cc1nc(C)n(C[C@H]2CCCN(c3cc(C)nc(N)n3)C2)n1 ZINC000069815317 406775819 /nfs/dbraw/zinc/77/58/19/406775819.db2.gz TWWISBPLSZXJJX-ZDUSSCGKSA-N 0 3 301.398 1.492 50 0 DDAAHN CCS(=O)(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000069814579 406776705 /nfs/dbraw/zinc/77/67/05/406776705.db2.gz RKZWDSSMGVSXQY-UHFFFAOYSA-N 0 3 312.435 1.601 50 0 DDAAHN CCN1CCC[C@@H]1CNC(=O)C1CCN(c2ncccn2)CC1 ZINC000008992049 406801213 /nfs/dbraw/zinc/80/12/13/406801213.db2.gz RZVOVPZGFGPIRL-OAHLLOKOSA-N 0 3 317.437 1.294 50 0 DDAAHN CN(C)C[C@@H]1CN(Cc2ccn(-c3cccc(F)c3)n2)CCO1 ZINC000070016318 406804750 /nfs/dbraw/zinc/80/47/50/406804750.db2.gz PTKINSJUXGQFGE-QGZVFWFLSA-N 0 3 318.396 1.774 50 0 DDAAHN COc1ccc(Br)cc1CNCCOCCO ZINC000010435673 406822178 /nfs/dbraw/zinc/82/21/78/406822178.db2.gz VGNVDTGFFMFVDU-UHFFFAOYSA-N 0 3 304.184 1.556 50 0 DDAAHN CCN1CCN(c2ccc(N3C(=O)[C@@H](C)NC3=S)cc2)CC1 ZINC000012534624 406846198 /nfs/dbraw/zinc/84/61/98/406846198.db2.gz UXDXBUDOAQDOGV-GFCCVEGCSA-N 0 3 318.446 1.438 50 0 DDAAHN OC1CCN([C@@H]2CCN(Cc3ccccc3F)C[C@H]2O)CC1 ZINC000012745065 406850623 /nfs/dbraw/zinc/85/06/23/406850623.db2.gz PQMJGKPIOFFRPF-IAGOWNOFSA-N 0 3 308.397 1.218 50 0 DDAAHN Cc1cnn([C@@H](C)[C@H](C)NCCS(=O)(=O)C(F)(F)F)c1 ZINC000071882216 406860575 /nfs/dbraw/zinc/86/05/75/406860575.db2.gz MOZLDSZDICJQNS-UWVGGRQHSA-N 0 3 313.345 1.665 50 0 DDAAHN CN1CCN(CC[C@@H]2CCCCN2C(=S)NC2CC2)CC1 ZINC000022936558 406890660 /nfs/dbraw/zinc/89/06/60/406890660.db2.gz YUKGICNOFXCGTA-HNNXBMFYSA-N 0 3 310.511 1.515 50 0 DDAAHN O=C(Nc1ccccc1F)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000075134246 406924017 /nfs/dbraw/zinc/92/40/17/406924017.db2.gz GKVFIZCPJIQGAG-LBPRGKRZSA-N 0 3 319.380 1.897 50 0 DDAAHN CN(Cc1ccc2c(c1)OCCO2)Cc1ccn(C)c(=O)c1 ZINC000042112589 407011934 /nfs/dbraw/zinc/01/19/34/407011934.db2.gz FVAUNXLDNMZIDX-UHFFFAOYSA-N 0 3 300.358 1.789 50 0 DDAAHN C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CC1CCCCC1 ZINC000044715303 407028510 /nfs/dbraw/zinc/02/85/10/407028510.db2.gz CKZKLDKBIQAWGR-DZGCQCFKSA-N 0 3 309.454 1.611 50 0 DDAAHN CC[C@@H]1CN(C)c2ccccc2CN1CCN1C(=O)CNC1=O ZINC000088562537 407121781 /nfs/dbraw/zinc/12/17/81/407121781.db2.gz TXQOOSTWSMBVBF-CQSZACIVSA-N 0 3 316.405 1.269 50 0 DDAAHN CCN1CCC(NC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000047980512 407085294 /nfs/dbraw/zinc/08/52/94/407085294.db2.gz DADNUNALGGXDRH-UHFFFAOYSA-N 0 3 309.385 1.988 50 0 DDAAHN Cc1ccc(C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)s1 ZINC000054838652 407190219 /nfs/dbraw/zinc/19/02/19/407190219.db2.gz CVQNUAVHCWJJPU-UHFFFAOYSA-N 0 3 317.418 1.700 50 0 DDAAHN COCCOc1ncccc1C(=O)NCCN1CCCC[C@H]1C ZINC000053030834 407161939 /nfs/dbraw/zinc/16/19/39/407161939.db2.gz JQTBWAYMRVLHTO-CQSZACIVSA-N 0 3 321.421 1.711 50 0 DDAAHN COC(=O)C(C)(C)NC(=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC000055309392 407200170 /nfs/dbraw/zinc/20/01/70/407200170.db2.gz TVSKUXWCJQEYEM-LBPRGKRZSA-N 0 3 308.378 1.559 50 0 DDAAHN CCc1noc(CN2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)n1 ZINC000095360885 407209263 /nfs/dbraw/zinc/20/92/63/407209263.db2.gz QSEPNYLNQZYNOK-DZGCQCFKSA-N 0 3 320.437 1.707 50 0 DDAAHN COCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)cc1)C2 ZINC000095369797 407210384 /nfs/dbraw/zinc/21/03/84/407210384.db2.gz NEFAEXBIISSIHW-JKSUJKDBSA-N 0 3 318.417 1.764 50 0 DDAAHN CC1CCN(C[C@@H](O)COc2ccccc2CC(N)=O)CC1 ZINC000095439115 407214420 /nfs/dbraw/zinc/21/44/20/407214420.db2.gz MSDQZZFVPONQLT-OAHLLOKOSA-N 0 3 306.406 1.186 50 0 DDAAHN CC1CCN(CCc2nc3c([nH]2)C(=O)NCC(C)(C)C3)CC1 ZINC000095523578 407214436 /nfs/dbraw/zinc/21/44/36/407214436.db2.gz IUMAJETVTJPGDW-UHFFFAOYSA-N 0 3 304.438 1.996 50 0 DDAAHN CCN(CC)S(=O)(=O)CCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000095987893 407221217 /nfs/dbraw/zinc/22/12/17/407221217.db2.gz JIVDOSXSPLCHHY-MCIONIFRSA-N 0 3 318.483 1.451 50 0 DDAAHN NC(=O)NC(=O)CCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899414 407262537 /nfs/dbraw/zinc/26/25/37/407262537.db2.gz OHRJCDLUGZCHCL-LBPRGKRZSA-N 0 3 319.361 1.180 50 0 DDAAHN CCN1CCC[C@@H](NC(=O)C2CCN(c3ncccn3)CC2)C1 ZINC000065624500 407245665 /nfs/dbraw/zinc/24/56/65/407245665.db2.gz GOLDSPPYARHCHF-OAHLLOKOSA-N 0 3 317.437 1.294 50 0 DDAAHN NC(=O)N1CCC(NCc2cc(Cl)cc3c2OCC3)CC1 ZINC000097083938 407278950 /nfs/dbraw/zinc/27/89/50/407278950.db2.gz HVBDUPTUAHGIQH-UHFFFAOYSA-N 0 3 309.797 1.908 50 0 DDAAHN COC(=O)c1ccccc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000067692783 407280269 /nfs/dbraw/zinc/28/02/69/407280269.db2.gz FOODZDGZCQRORR-ZDUSSCGKSA-N 0 3 304.390 1.887 50 0 DDAAHN Cn1ccnc1C[C@H]1CCCN(Cc2cnc3cnccn23)C1 ZINC000097139244 407282504 /nfs/dbraw/zinc/28/25/04/407282504.db2.gz WNSWVOZXKDOIPD-CQSZACIVSA-N 0 3 310.405 1.918 50 0 DDAAHN COc1ccc(OC)c([C@H](O)CNCc2c(C)n[nH]c2C)c1 ZINC000097159527 407283919 /nfs/dbraw/zinc/28/39/19/407283919.db2.gz NNSIIDNAXNVDSK-OAHLLOKOSA-N 0 3 305.378 1.867 50 0 DDAAHN Cc1nn(CCO)c(C)c1CNC[C@H](O)c1ccc(Cl)cc1 ZINC000097159796 407284111 /nfs/dbraw/zinc/28/41/11/407284111.db2.gz SGJNPAIMBNUPEN-INIZCTEOSA-N 0 3 323.824 1.969 50 0 DDAAHN O=C(C[C@H]1CNCCO1)NCc1ccc(OC(F)(F)F)cc1 ZINC000097213232 407288788 /nfs/dbraw/zinc/28/87/88/407288788.db2.gz XEQIBERBOPWADO-LBPRGKRZSA-N 0 3 318.295 1.580 50 0 DDAAHN CN(CCNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)C1CC1 ZINC000195538815 407466002 /nfs/dbraw/zinc/46/60/02/407466002.db2.gz MBFANLYDDRMJBO-LSDHHAIUSA-N 0 3 321.421 1.971 50 0 DDAAHN COc1c(CNC(=O)N(C)CC2(N(C)C)CCC2)c(C)nn1C ZINC000225467986 407586726 /nfs/dbraw/zinc/58/67/26/407586726.db2.gz ODBDXBNWLFYPTJ-UHFFFAOYSA-N 0 3 323.441 1.363 50 0 DDAAHN CN1CCN2C[C@@H](NC(=O)c3scc4c3CCCC4)C[C@H]2C1 ZINC000220075500 407538035 /nfs/dbraw/zinc/53/80/35/407538035.db2.gz ITGLPCHFCGBHBG-KBPBESRZSA-N 0 3 319.474 1.745 50 0 DDAAHN CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000229829334 407672223 /nfs/dbraw/zinc/67/22/23/407672223.db2.gz HKUISZCBEUSFBV-UHOFOFEASA-N 0 3 321.396 1.589 50 0 DDAAHN C[C@H](C(=O)OC(C)(C)C)N1CCN(CC2CCOCC2)CC1 ZINC000172545337 407833935 /nfs/dbraw/zinc/83/39/35/407833935.db2.gz KINOFFQQQUNMGO-CQSZACIVSA-N 0 3 312.454 1.761 50 0 DDAAHN CC(C)S(=O)(=O)NC[C@@H]1CCCN([C@@H]2CCCC[C@H]2O)C1 ZINC000245289722 407950183 /nfs/dbraw/zinc/95/01/83/407950183.db2.gz DRBTWDWTAPXRON-RRFJBIMHSA-N 0 3 318.483 1.330 50 0 DDAAHN Cc1ccnc(NCCNc2cc([C@H]3C[C@@H](O)C3)nc(N)n2)c1 ZINC000244574871 407927942 /nfs/dbraw/zinc/92/79/42/407927942.db2.gz CSTHTPXAIDOJBM-TXEJJXNPSA-N 0 3 314.393 1.525 50 0 DDAAHN O=C(NCCN1CCC[C@@H](CO)C1)c1ccc2ncccc2c1 ZINC000244735086 407935106 /nfs/dbraw/zinc/93/51/06/407935106.db2.gz NSUQUNAOBZVZIZ-CQSZACIVSA-N 0 3 313.401 1.669 50 0 DDAAHN COc1ccc(CNC(=O)C[C@H]2CN(C)CCN2C)cc1F ZINC000244874514 407941120 /nfs/dbraw/zinc/94/11/20/407941120.db2.gz XCSRVYKGGUNYSE-ZDUSSCGKSA-N 0 3 309.385 1.086 50 0 DDAAHN O[C@@H](COc1ccccc1)CN1CCC[C@H]1Cn1cncn1 ZINC000247741155 408506354 /nfs/dbraw/zinc/50/63/54/408506354.db2.gz OFYJVMIFBXILGE-LSDHHAIUSA-N 0 3 302.378 1.182 50 0 DDAAHN O[C@@H](COc1ccc(F)cc1)CN1CCC[C@H]1Cn1cccn1 ZINC000247728192 408506508 /nfs/dbraw/zinc/50/65/08/408506508.db2.gz DZNXCXDYAZFUKY-JKSUJKDBSA-N 0 3 319.380 1.927 50 0 DDAAHN O[C@@H](COCc1ccco1)CN1CCCC[C@H]1Cn1cccn1 ZINC000247751687 408508435 /nfs/dbraw/zinc/50/84/35/408508435.db2.gz WANJWSZATCRSPQ-JKSUJKDBSA-N 0 3 319.405 1.908 50 0 DDAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(C(N)=O)s1 ZINC000248142330 408538473 /nfs/dbraw/zinc/53/84/73/408538473.db2.gz QQBMQGFQBFOALY-GHMZBOCLSA-N 0 3 307.419 1.546 50 0 DDAAHN C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1cccc(F)c1F ZINC000252666331 408808773 /nfs/dbraw/zinc/80/87/73/408808773.db2.gz BDPIKQRDMSKWOU-ZWNOBZJWSA-N 0 3 318.389 1.724 50 0 DDAAHN OC[C@]1(NCc2ccc(OCc3ccncc3)cc2)CCOC1 ZINC000184178059 306713352 /nfs/dbraw/zinc/71/33/52/306713352.db2.gz FLEDDJVIIMUGKG-GOSISDBHSA-N 0 3 314.385 1.902 50 0 DDAAHN Cc1ncc2c(c1CNC(=O)CN1CCCCC1)CCNC2 ZINC000299782444 410623242 /nfs/dbraw/zinc/62/32/42/410623242.db2.gz SXDNGICKURNZAA-UHFFFAOYSA-N 0 3 302.422 1.138 50 0 DDAAHN CCN1CCC[C@H]1CNC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC000299794286 410635998 /nfs/dbraw/zinc/63/59/98/410635998.db2.gz JQAFIJXQMGKXAS-VIFPVBQESA-N 0 3 304.316 1.653 50 0 DDAAHN COC(=O)c1cn(CCNCc2scnc2C2CC2)nn1 ZINC000341267222 410974074 /nfs/dbraw/zinc/97/40/74/410974074.db2.gz LTPQYAIPUSTJBJ-UHFFFAOYSA-N 0 3 307.379 1.188 50 0 DDAAHN O=C(Cc1ccc(Br)cc1)NC[C@H]1CNCCO1 ZINC000134260281 196374667 /nfs/dbraw/zinc/37/46/67/196374667.db2.gz FNTGAELZDGZIIP-GFCCVEGCSA-N 0 3 313.195 1.096 50 0 DDAAHN CCN1CCC[C@@](O)(CN2CCN(c3ccccc3F)CC2)C1 ZINC000046087455 418445275 /nfs/dbraw/zinc/44/52/75/418445275.db2.gz BIPNZRNQBHJVQK-SFHVURJKSA-N 0 3 321.440 1.795 50 0 DDAAHN CC(C)(C)[C@H](NCC(=O)N1CCNC(=O)C1)c1ccccc1 ZINC000065551737 418486083 /nfs/dbraw/zinc/48/60/83/418486083.db2.gz KUVYIMDBFLIDJZ-MRXNPFEDSA-N 0 3 303.406 1.322 50 0 DDAAHN CN1CC[C@@H](CNC(=O)OC2CCOCC2)[C@@H]1c1cccnc1 ZINC000368061329 418681180 /nfs/dbraw/zinc/68/11/80/418681180.db2.gz VNVRHLWPSOVDJJ-HOCLYGCPSA-N 0 3 319.405 1.980 50 0 DDAAHN COCCN1CCC[C@@]2(CCN(c3nccc(OC)n3)C2)C1 ZINC000426604580 419517355 /nfs/dbraw/zinc/51/73/55/419517355.db2.gz RHZYQLCZTSXJBL-MRXNPFEDSA-N 0 3 306.410 1.424 50 0 DDAAHN CCN1CCC(CCNC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000550155568 421515373 /nfs/dbraw/zinc/51/53/73/421515373.db2.gz RSZZPRWRGGFUMC-UHFFFAOYSA-N 0 3 305.422 1.546 50 0 DDAAHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cccc(F)c2N)C1 ZINC000585118182 422307224 /nfs/dbraw/zinc/30/72/24/422307224.db2.gz FYZQNBUVKUYYHH-NWDGAFQWSA-N 0 3 300.399 1.853 50 0 DDAAHN Cc1ccc2ncc(CNC[C@H]3COC4(CCOCC4)O3)n2c1 ZINC000095991132 274786661 /nfs/dbraw/zinc/78/66/61/274786661.db2.gz LQPQVCWDVMIKRQ-HNNXBMFYSA-N 0 3 317.389 1.654 50 0 DDAAHN O[C@@H]1c2ccccc2C[C@@H]1N1CCCN(c2ncccn2)CC1 ZINC000095987355 275055438 /nfs/dbraw/zinc/05/54/38/275055438.db2.gz PRBUNCXHVUTBML-DLBZAZTESA-N 0 3 310.401 1.647 50 0 DDAAHN C[C@H](CNC(=O)c1nc2ccccc2[nH]1)CN1CCN(C)CC1 ZINC000069975694 279346310 /nfs/dbraw/zinc/34/63/10/279346310.db2.gz HLFZQDHPIRWUOB-CYBMUJFWSA-N 0 3 315.421 1.176 50 0 DDAAHN Cn1c(=O)c2c3c(sc2nc1N1CCNCC1)CCCC3 ZINC000031947332 294138024 /nfs/dbraw/zinc/13/80/24/294138024.db2.gz BITQHOCNCJHLOM-UHFFFAOYSA-N 0 3 304.419 1.283 50 0 DDAAHN OC[C@H]1CCCN(CCNc2nc(-c3ccccc3)no2)C1 ZINC000670446659 484834073 /nfs/dbraw/zinc/83/40/73/484834073.db2.gz RCFIPIYPUWTREH-ZDUSSCGKSA-N 0 3 302.378 1.853 50 0 DDAAHN OC[C@H]1CCC[N@H+](CC[N-]c2nc(-c3ccccc3)no2)C1 ZINC000670446659 484834076 /nfs/dbraw/zinc/83/40/76/484834076.db2.gz RCFIPIYPUWTREH-ZDUSSCGKSA-N 0 3 302.378 1.853 50 0 DDAAHN OC[C@H]1CCC[N@@H+](CC[N-]c2nc(-c3ccccc3)no2)C1 ZINC000670446659 484834080 /nfs/dbraw/zinc/83/40/80/484834080.db2.gz RCFIPIYPUWTREH-ZDUSSCGKSA-N 0 3 302.378 1.853 50 0 DDAAHN COc1ccsc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000170051051 545648180 /nfs/dbraw/zinc/64/81/80/545648180.db2.gz JWPUXISKCJTKAZ-NXEZZACHSA-N 0 3 304.437 1.553 50 0 DDAAHN O=C(NCCc1ccccc1)NCCN1CCC[C@@H](CO)C1 ZINC000952964083 721528293 /nfs/dbraw/zinc/52/82/93/721528293.db2.gz NBBDWESCSIYJGD-MRXNPFEDSA-N 0 3 305.422 1.233 50 0 DDAAHN COc1ncc(CN(C)C[C@H]2Cc3ccccc3CN2C)cn1 ZINC000952964413 721528533 /nfs/dbraw/zinc/52/85/33/721528533.db2.gz NJXFVXPHIRYKOH-QGZVFWFLSA-N 0 3 312.417 1.974 50 0 DDAAHN Cc1nncn1CCN1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC000822281414 758197701 /nfs/dbraw/zinc/19/77/01/758197701.db2.gz NCIOUIDUYFQHLC-ZDUSSCGKSA-N 0 3 304.398 1.973 50 0 DDAAHN CN1CCC[C@H]1C(=O)N1CCC(O)(Cc2ccccc2)CC1 ZINC000823783415 758361041 /nfs/dbraw/zinc/36/10/41/758361041.db2.gz NKECJNNWPWCWDU-INIZCTEOSA-N 0 3 302.418 1.677 50 0 DDAAHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCCC[C@H]1N(C)C ZINC000584906830 771867493 /nfs/dbraw/zinc/86/74/93/771867493.db2.gz AGHZPXWSNCDDAG-QWHCGFSZSA-N 0 3 314.455 1.188 50 0 DDAAHN CCC[C@H]1CN(CCO)C[C@@H]1NC(=O)c1cnc(C2CC2)nc1 ZINC000219613623 771935516 /nfs/dbraw/zinc/93/55/16/771935516.db2.gz KGGPINTYMIHGAS-ZFWWWQNUSA-N 0 3 318.421 1.177 50 0 DDAAHN O=C(NCc1ccccc1OCCO)N1CCN2CCC1CC2 ZINC000952845810 775569837 /nfs/dbraw/zinc/56/98/37/775569837.db2.gz YXGYJBSTBOTHEM-UHFFFAOYSA-N 0 3 319.405 1.047 50 0 DDAAHN CN(C)c1ccc(C[C@@H]2CC[C@H](CN3CCSCC3)O2)nn1 ZINC000952854511 775582297 /nfs/dbraw/zinc/58/22/97/775582297.db2.gz CAQSJBBCEIEFOG-LSDHHAIUSA-N 0 3 322.478 1.682 50 0 DDAAHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(CO)o1 ZINC000089948951 185270871 /nfs/dbraw/zinc/27/08/71/185270871.db2.gz ZPQHQDKSVZIFJN-MLGOLLRUSA-N 0 3 306.406 1.899 50 0 DDAAHN CN(C)[C@H]1CCCCN(C(=O)COCC(F)(F)C(F)F)C1 ZINC000082116409 192358161 /nfs/dbraw/zinc/35/81/61/192358161.db2.gz ZLFKOATYOGDTIF-JTQLQIEISA-N 0 3 314.323 1.846 50 0 DDAAHN C[C@@H]1CN(CC2CCN(Cc3cn(C)nn3)CC2)C[C@@H](C)O1 ZINC000095445418 185367245 /nfs/dbraw/zinc/36/72/45/185367245.db2.gz RNHWHVJEMWHHKJ-ZIAGYGMSSA-N 0 3 307.442 1.136 50 0 DDAAHN COc1cccc([C@H](C)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1 ZINC000097033468 185399596 /nfs/dbraw/zinc/39/95/96/185399596.db2.gz HNFMNZJUXKPHKY-VBNZEHGJSA-N 0 3 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/nfs/dbraw/zinc/05/03/28/182050328.db2.gz KINGSRHOXYMOOO-HNNXBMFYSA-N 0 3 313.438 1.972 50 0 DDAAHN Fc1ccc2nc(CN3CCC[C@@H](N4CCOCC4)C3)[nH]c2c1 ZINC000019781954 182148160 /nfs/dbraw/zinc/14/81/60/182148160.db2.gz XQWDNARREBGGNK-CQSZACIVSA-N 0 3 318.396 1.999 50 0 DDAAHN CCn1ccnc1CN1CCN(CCC(C)C)[C@@H](CCO)C1 ZINC000020450799 182218743 /nfs/dbraw/zinc/21/87/43/182218743.db2.gz LATNIGNSCQDDOK-INIZCTEOSA-N 0 3 308.470 1.818 50 0 DDAAHN COc1ccccc1/C=C/C(=O)NCCCN1CCN(C)CC1 ZINC000020819251 182247944 /nfs/dbraw/zinc/24/79/44/182247944.db2.gz ITDRPBMGGIVVKT-CMDGGOBGSA-N 0 3 317.433 1.462 50 0 DDAAHN C[C@@H](CCc1ccccc1)N1CCN(CCOCCO)CC1 ZINC000022027665 182304798 /nfs/dbraw/zinc/30/47/98/182304798.db2.gz KPOKHFFEUVBRAG-KRWDZBQOSA-N 0 3 306.450 1.634 50 0 DDAAHN OCC[C@H]1CN(C2CCOCC2)CCN1Cc1ccccc1F ZINC000022851341 182336740 /nfs/dbraw/zinc/33/67/40/182336740.db2.gz DHYMMZDRFODYOP-KRWDZBQOSA-N 0 3 322.424 1.873 50 0 DDAAHN Cn1cc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cn1 ZINC000023373402 182357995 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CC[C@@H](CNC(=O)CNC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000069740467 406767039 /nfs/dbraw/zinc/76/70/39/406767039.db2.gz BAKDTTONFCIYIE-DOTOQJQBSA-N 0 3 319.449 1.217 50 0 DDAAHN C[C@@H](CNC(=O)c1nnn(-c2ccccc2)c1C1CC1)N(C)C ZINC000069454972 406715218 /nfs/dbraw/zinc/71/52/18/406715218.db2.gz KJRBOQUJOSBVKR-LBPRGKRZSA-N 0 3 313.405 1.825 50 0 DDAAHN c1nc2n(n1)C[C@@H](NCc1cnn(Cc3ccccc3)c1)CC2 ZINC000069491627 406723426 /nfs/dbraw/zinc/72/34/26/406723426.db2.gz STCGQHPNKGBRSM-INIZCTEOSA-N 0 3 308.389 1.628 50 0 DDAAHN CNC(=O)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000069869365 406784878 /nfs/dbraw/zinc/78/48/78/406784878.db2.gz KEPDYSPYYCKGGF-CQSZACIVSA-N 0 3 321.396 1.290 50 0 DDAAHN COC(=O)[C@H]1CC(=O)N(C2CCN(Cc3ccccc3)CC2)C1 ZINC000008729770 406792180 /nfs/dbraw/zinc/79/21/80/406792180.db2.gz VQCDWKWEVDUUHN-HNNXBMFYSA-N 0 3 316.401 1.673 50 0 DDAAHN Cc1nc2ccccc2nc1CN1CCO[C@@H](CN(C)C)C1 ZINC000070016127 406804180 /nfs/dbraw/zinc/80/41/80/406804180.db2.gz MBEPDHFFTMRFTE-AWEZNQCLSA-N 0 3 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/nfs/dbraw/zinc/62/74/03/183627403.db2.gz SZDNMBPUAMGFAG-UHFFFAOYSA-N 0 3 318.425 1.401 50 0 DDAAHN C[C@H](NCC1(c2ccc(F)cc2)CCCC1)C(=O)NC(N)=O ZINC000056160075 184006335 /nfs/dbraw/zinc/00/63/35/184006335.db2.gz JOPZAPHMKFUFDL-NSHDSACASA-N 0 3 307.369 1.811 50 0 DDAAHN COc1ccc(CC2CCN([C@@H](C)C(=O)NC(N)=O)CC2)cc1 ZINC000058326735 184105592 /nfs/dbraw/zinc/10/55/92/184105592.db2.gz NBWSOBFRNOHBGO-LBPRGKRZSA-N 0 3 319.405 1.533 50 0 DDAAHN C[C@@H](C(N)=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000065474847 184351414 /nfs/dbraw/zinc/35/14/14/184351414.db2.gz MYZAOYGHNFHAMW-NSHDSACASA-N 0 3 304.369 1.954 50 0 DDAAHN Cc1nnc2n1C[C@H](NCc1cccc3c1OCCCO3)CC2 ZINC000065542867 184364062 /nfs/dbraw/zinc/36/40/62/184364062.db2.gz IWRYEXDRPGJGGQ-CQSZACIVSA-N 0 3 314.389 1.852 50 0 DDAAHN CC[C@H](C)C(=O)NCc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000065564376 184366791 /nfs/dbraw/zinc/36/67/91/184366791.db2.gz SPNKJYSLHOHGDP-ZDUSSCGKSA-N 0 3 321.469 1.533 50 0 DDAAHN CN1CCN(CC2CN(c3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000521398455 257234618 /nfs/dbraw/zinc/23/46/18/257234618.db2.gz HMWCJWJIOVGJGY-UHFFFAOYSA-N 0 3 314.355 1.784 50 0 DDAAHN CCc1nc(CC(=O)NC[C@H]2CCN(CCOC)C2)cs1 ZINC000068477517 406642481 /nfs/dbraw/zinc/64/24/81/406642481.db2.gz JESSQVVHRQRKHN-GFCCVEGCSA-N 0 3 311.451 1.333 50 0 DDAAHN Cc1ccc(CCC(=O)NCC(=O)NC[C@H](C)N(C)C)cc1 ZINC000069537376 406731988 /nfs/dbraw/zinc/73/19/88/406731988.db2.gz HQZBDXCVLGDUJT-AWEZNQCLSA-N 0 3 305.422 1.110 50 0 DDAAHN Cc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000069562502 406733894 /nfs/dbraw/zinc/73/38/94/406733894.db2.gz SISPJXDJNLLTLN-INIZCTEOSA-N 0 3 315.417 1.549 50 0 DDAAHN O[C@H](COc1ccc(F)cc1)CN1CCC[C@@H]1Cn1cncn1 ZINC000069699843 406757633 /nfs/dbraw/zinc/75/76/33/406757633.db2.gz FEMXSGPBWUERSX-CABCVRRESA-N 0 3 320.368 1.322 50 0 DDAAHN CCCOc1ccc([C@@]2(C)NC(=O)N(CCN(C)C)C2=O)cc1 ZINC000003208107 406713627 /nfs/dbraw/zinc/71/36/27/406713627.db2.gz PBHHYBOACNKZOZ-QGZVFWFLSA-N 0 3 319.405 1.804 50 0 DDAAHN Cn1cc(CN[C@@H]2CCc3ncnn3C2)c(-c2cccnc2)n1 ZINC000069521488 406728615 /nfs/dbraw/zinc/72/86/15/406728615.db2.gz MIGFDYKPIZDETA-CQSZACIVSA-N 0 3 309.377 1.178 50 0 DDAAHN CC[C@@H]1CN(CC2CCN(C(C)=O)CC2)CCN1CCOC ZINC000069928437 406794586 /nfs/dbraw/zinc/79/45/86/406794586.db2.gz JTUFEKFVJMGWDF-QGZVFWFLSA-N 0 3 311.470 1.288 50 0 DDAAHN O=C(Cc1cccc(F)c1)NCCNCc1cccc(O)c1 ZINC000069895732 406788961 /nfs/dbraw/zinc/78/89/61/406788961.db2.gz OPDOCYHEYOEGMI-UHFFFAOYSA-N 0 3 302.349 1.980 50 0 DDAAHN Cc1cnn(CCN[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 ZINC000070005015 406802033 /nfs/dbraw/zinc/80/20/33/406802033.db2.gz XLDHHENVBYQAAB-LBPRGKRZSA-N 0 3 304.398 1.159 50 0 DDAAHN CCOCCN1CCN(c2ncnc3c2cnn3C)C[C@@H]1CC ZINC000070037089 406803918 /nfs/dbraw/zinc/80/39/18/406803918.db2.gz SHYNYEKTFHFXBQ-ZDUSSCGKSA-N 0 3 318.425 1.300 50 0 DDAAHN CC(C)CC(=O)C(=O)N1CCC[C@@H](N(C)CCCN(C)C)C1 ZINC000011708791 406830810 /nfs/dbraw/zinc/83/08/10/406830810.db2.gz RNMGZFORACVBPZ-OAHLLOKOSA-N 0 3 311.470 1.476 50 0 DDAAHN NC(=O)C(=O)NC[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000071278935 406836266 /nfs/dbraw/zinc/83/62/66/406836266.db2.gz JCRRNAPLWAMWJV-XYHHVPKHSA-N 0 3 319.380 1.152 50 0 DDAAHN CNC(=O)c1ccc(NC(=O)NCCN2CCCC2)cc1Cl ZINC000071818888 406846532 /nfs/dbraw/zinc/84/65/32/406846532.db2.gz JJCZIXKHOUYINU-UHFFFAOYSA-N 0 3 324.812 1.917 50 0 DDAAHN C[C@@H](Cn1cccn1)NCC(=O)NCCOc1ccccc1 ZINC000071879159 406859835 /nfs/dbraw/zinc/85/98/35/406859835.db2.gz WNQWZJFCSMZXNV-AWEZNQCLSA-N 0 3 302.378 1.056 50 0 DDAAHN Cc1cnn(CCNCC(=O)N(C)Cc2cccc(F)c2)c1 ZINC000072253052 406875373 /nfs/dbraw/zinc/87/53/73/406875373.db2.gz HQXGISLONPSSCQ-UHFFFAOYSA-N 0 3 304.369 1.579 50 0 DDAAHN CCO[C@@H]1C[C@@H](N(C)CCCS(N)(=O)=O)C12CCCCC2 ZINC000076040610 406950983 /nfs/dbraw/zinc/95/09/83/406950983.db2.gz YYCIGCLTILESMT-ZIAGYGMSSA-N 0 3 318.483 1.725 50 0 DDAAHN O=S(=O)([N-]C[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1Cl ZINC000044492763 407024125 /nfs/dbraw/zinc/02/41/25/407024125.db2.gz ZCRBZMBTYOFDLM-JTQLQIEISA-N 0 3 306.790 1.900 50 0 DDAAHN CCN(CC)[C@H](C)CNS(=O)(=O)N(C)C1CCCCC1 ZINC000045741972 407047586 /nfs/dbraw/zinc/04/75/86/407047586.db2.gz CBMXXFBZIFMQHH-CYBMUJFWSA-N 0 3 305.488 1.816 50 0 DDAAHN c1cc(C2=NN=C(N3CCNCC3)SC2)cc2c1OCO2 ZINC000038478394 407001056 /nfs/dbraw/zinc/00/10/56/407001056.db2.gz LCSNIHAOONEBSN-UHFFFAOYSA-N 0 3 304.375 1.127 50 0 DDAAHN CC[C@@H]1CN(C[C@H](O)c2ccccc2F)CCN1C[C@@H](C)O ZINC000084736464 407094458 /nfs/dbraw/zinc/09/44/58/407094458.db2.gz KXCZEUSENXWJMH-CPUCHLNUSA-N 0 3 310.413 1.636 50 0 DDAAHN CCCS(=O)(=O)NCc1cccc(OCCN(C)C)c1 ZINC000048959277 407111239 /nfs/dbraw/zinc/11/12/39/407111239.db2.gz SETDLNAXDAUDII-UHFFFAOYSA-N 0 3 300.424 1.456 50 0 DDAAHN CCc1nn(C)c(CC)c1CNCCNc1ccc(C)nn1 ZINC000089280007 407129741 /nfs/dbraw/zinc/12/97/41/407129741.db2.gz UUCOSXHBQBZLQK-UHFFFAOYSA-N 0 3 302.426 1.845 50 0 DDAAHN C[C@@H](NCCn1cccn1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000089514746 407138081 /nfs/dbraw/zinc/13/80/81/407138081.db2.gz VPTKCNRDSJHPSW-LLVKDONJSA-N 0 3 311.382 1.777 50 0 DDAAHN CC(C)Oc1ccc(CNC(=O)N2CCCN(C)CC2)cn1 ZINC000089890866 407156148 /nfs/dbraw/zinc/15/61/48/407156148.db2.gz QQVAAGTUOLWZES-UHFFFAOYSA-N 0 3 306.410 1.716 50 0 DDAAHN CCOc1ccccc1NC(=O)CC(=O)N(C)[C@H]1CCN(C)C1 ZINC000055166556 407196316 /nfs/dbraw/zinc/19/63/16/407196316.db2.gz CALVKDNBAHCMHP-ZDUSSCGKSA-N 0 3 319.405 1.576 50 0 DDAAHN Cc1nnc(NC(=O)N2CCCN(c3ccncc3)CC2)s1 ZINC000055568677 407205268 /nfs/dbraw/zinc/20/52/68/407205268.db2.gz VMBMQHXYZIIRDG-UHFFFAOYSA-N 0 3 318.406 1.986 50 0 DDAAHN CCN1CCN(Cc2ccccc2CNC(=O)N(C)C)CC1 ZINC000095365117 407209676 /nfs/dbraw/zinc/20/96/76/407209676.db2.gz ZRXOSGUDZBXBMD-UHFFFAOYSA-N 0 3 304.438 1.595 50 0 DDAAHN Cc1n[nH]c(CCNC(=O)[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC000095372942 407210527 /nfs/dbraw/zinc/21/05/27/407210527.db2.gz OJNYNXNKIMZPJT-AWEZNQCLSA-N 0 3 305.357 1.214 50 0 DDAAHN O=C(CCN1CCC2(CC1)OCCC[C@H]2O)Nc1cccnc1 ZINC000095383246 407212146 /nfs/dbraw/zinc/21/21/46/407212146.db2.gz UCAZUFHFNKBXRC-OAHLLOKOSA-N 0 3 319.405 1.416 50 0 DDAAHN C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cccc(F)c1 ZINC000095941396 407215321 /nfs/dbraw/zinc/21/53/21/407215321.db2.gz OLOWYHPLFVRFTI-BPNCWPANSA-N 0 3 307.369 1.786 50 0 DDAAHN CN(C)C[C@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccccc1 ZINC000095955675 407217241 /nfs/dbraw/zinc/21/72/41/407217241.db2.gz CYYXNQQEGRJKKQ-HNNXBMFYSA-N 0 3 314.389 1.810 50 0 DDAAHN CC(C)OC(=O)C[C@H](NC(=O)[C@]1(F)CCNC1)c1ccccc1 ZINC000095971661 407218679 /nfs/dbraw/zinc/21/86/79/407218679.db2.gz ZPANXBHZNWLSIM-YOEHRIQHSA-N 0 3 322.380 1.887 50 0 DDAAHN CNC(=O)NC(=O)CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000095985996 407220956 /nfs/dbraw/zinc/22/09/56/407220956.db2.gz XSOWQDBZTGNAJE-LBPRGKRZSA-N 0 3 304.394 1.393 50 0 DDAAHN C[C@H](CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)Cn1cccn1 ZINC000095996175 407222102 /nfs/dbraw/zinc/22/21/02/407222102.db2.gz QQBSKWINMSEOPP-PMPSAXMXSA-N 0 3 319.453 1.645 50 0 DDAAHN CN(CCc1ccncc1)CCn1cnc2ccccc2c1=O ZINC000095999369 407222558 /nfs/dbraw/zinc/22/25/58/407222558.db2.gz HGTAYRHADWTOEX-UHFFFAOYSA-N 0 3 308.385 1.966 50 0 DDAAHN Cc1noc(C)c1CN(C)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000096435371 407265486 /nfs/dbraw/zinc/26/54/86/407265486.db2.gz DYVMMXGEWHYNHS-UHFFFAOYSA-N 0 3 320.397 1.713 50 0 DDAAHN CSCC[C@H](N)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000096481254 407270755 /nfs/dbraw/zinc/27/07/55/407270755.db2.gz BGZHYDZCRPZREY-KBPBESRZSA-N 0 3 312.410 1.806 50 0 DDAAHN CC(C)OC[C@H](O)CN1CCC(CN2CCCCC2=O)CC1 ZINC000096481154 407270918 /nfs/dbraw/zinc/27/09/18/407270918.db2.gz IBXGYUHDHZBRKL-MRXNPFEDSA-N 0 3 312.454 1.497 50 0 DDAAHN C[C@H](NCC(=O)N1CCOCC1)c1cccc(N2CCCC2)c1 ZINC000096492404 407272639 /nfs/dbraw/zinc/27/26/39/407272639.db2.gz UKOKDTDJYPUJAY-HNNXBMFYSA-N 0 3 317.433 1.796 50 0 DDAAHN CCNS(=O)(=O)[C@H]1CCN(Cc2cccc3[nH]ccc32)C1 ZINC000097051802 407277119 /nfs/dbraw/zinc/27/71/19/407277119.db2.gz ZNJJXOMLSBMEFF-ZDUSSCGKSA-N 0 3 307.419 1.682 50 0 DDAAHN CN(C)Cc1nc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)cs1 ZINC000067692617 407280476 /nfs/dbraw/zinc/28/04/76/407280476.db2.gz QPZBUXFOKHNHNH-INIZCTEOSA-N 0 3 322.478 1.763 50 0 DDAAHN CCC(=O)N(C)[C@H](C)C1=CCCN(CCC(=O)N2CCCC2)C1 ZINC000067741108 407282359 /nfs/dbraw/zinc/28/23/59/407282359.db2.gz MBJALELKXLYFPB-OAHLLOKOSA-N 0 3 321.465 1.888 50 0 DDAAHN CC/C=C(\C)CN1CCC(CNS(=O)(=O)N(C)CC)CC1 ZINC000067921040 407290407 /nfs/dbraw/zinc/29/04/07/407290407.db2.gz BPMWHSMCHPRNAC-VGOFMYFVSA-N 0 3 317.499 1.841 50 0 DDAAHN CCN1CCN(C[C@H](C)CNC(=O)NCc2cccnc2)CC1 ZINC000097595833 407299870 /nfs/dbraw/zinc/29/98/70/407299870.db2.gz YTWQIWKDCBVGHN-OAHLLOKOSA-N 0 3 319.453 1.154 50 0 DDAAHN COCc1cc(CN(C)C(=O)C[C@H]2CN(C(C)C)CCO2)n[nH]1 ZINC000097679771 407301383 /nfs/dbraw/zinc/30/13/83/407301383.db2.gz VNTRPBWOPIATDK-HNNXBMFYSA-N 0 3 324.425 1.014 50 0 DDAAHN c1cnn(C[C@H]2CN(Cc3cccc4nonc43)CCCO2)c1 ZINC000215261218 407484168 /nfs/dbraw/zinc/48/41/68/407484168.db2.gz LRQLGIHCCZEUHC-CQSZACIVSA-N 0 3 313.361 1.710 50 0 DDAAHN O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000215300570 407485322 /nfs/dbraw/zinc/48/53/22/407485322.db2.gz ZYPBDFSNHNQKAV-SFHVURJKSA-N 0 3 321.384 1.960 50 0 DDAAHN O[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000215300570 407485326 /nfs/dbraw/zinc/48/53/26/407485326.db2.gz ZYPBDFSNHNQKAV-SFHVURJKSA-N 0 3 321.384 1.960 50 0 DDAAHN O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000215300570 407485331 /nfs/dbraw/zinc/48/53/31/407485331.db2.gz ZYPBDFSNHNQKAV-SFHVURJKSA-N 0 3 321.384 1.960 50 0 DDAAHN O[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000215300570 407485337 /nfs/dbraw/zinc/48/53/37/407485337.db2.gz ZYPBDFSNHNQKAV-SFHVURJKSA-N 0 3 321.384 1.960 50 0 DDAAHN CC(C)OC[C@@H](O)CSCCN(C)C[C@@H](O)COC(C)C ZINC000253431799 407449269 /nfs/dbraw/zinc/44/92/69/407449269.db2.gz XNPYNMBRABZBKU-HUUCEWRRSA-N 0 3 323.499 1.223 50 0 DDAAHN Cc1ccc(OC2CN(C(=O)CN3CC[C@H](N(C)C)C3)C2)cc1 ZINC000218889623 407526204 /nfs/dbraw/zinc/52/62/04/407526204.db2.gz VIYDYKIJEGMSRC-HNNXBMFYSA-N 0 3 317.433 1.221 50 0 DDAAHN CC(=O)N1CCN([C@@H]2CN([C@@H](C)c3cccnc3)C[C@@H]2C)CC1 ZINC000229306671 407659693 /nfs/dbraw/zinc/65/96/93/407659693.db2.gz LGHPLNQCOXQVTO-RLFYNMQTSA-N 0 3 316.449 1.627 50 0 DDAAHN Cn1cc([C@@H]2CCCN2C[C@@H](O)COC[C@@H]2CCCO2)cn1 ZINC000229814556 407673350 /nfs/dbraw/zinc/67/33/50/407673350.db2.gz MFXSGAUFSCINNT-PMPSAXMXSA-N 0 3 309.410 1.114 50 0 DDAAHN C[C@@]1(O)CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000175439481 408131602 /nfs/dbraw/zinc/13/16/02/408131602.db2.gz BROZDDVBNIWUHP-GOSISDBHSA-N 0 3 317.433 1.817 50 0 DDAAHN CC[C@H](C)[C@H](N)C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000182548698 408191147 /nfs/dbraw/zinc/19/11/47/408191147.db2.gz ORMARBIVHXYQJD-RCBQFDQVSA-N 0 3 306.406 1.969 50 0 DDAAHN OCCN(Cc1ccccc1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000247730907 408506372 /nfs/dbraw/zinc/50/63/72/408506372.db2.gz HFQOHCQKYAXMMO-IAGOWNOFSA-N 0 3 309.406 1.037 50 0 DDAAHN CC(C)Nc1nc(NCCO)nc(N2CCS[C@@H](C)C2)n1 ZINC000252506308 408801453 /nfs/dbraw/zinc/80/14/53/408801453.db2.gz VYVLSPSJFORPIY-JTQLQIEISA-N 0 3 312.443 1.038 50 0 DDAAHN CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(C(N)=O)cs1 ZINC000249694954 408757435 /nfs/dbraw/zinc/75/74/35/408757435.db2.gz PZVGTDJFPAFJCK-CHWSQXEVSA-N 0 3 321.446 1.936 50 0 DDAAHN Cc1nc2cccc(C(=O)NCCCN3CCOCC3)c2[nH]1 ZINC000283696450 409198111 /nfs/dbraw/zinc/19/81/11/409198111.db2.gz WOFUYYDULAKFRP-UHFFFAOYSA-N 0 3 302.378 1.323 50 0 DDAAHN Cc1n[nH]c(C)c1CN1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299766508 410614361 /nfs/dbraw/zinc/61/43/61/410614361.db2.gz OQNOABADVAMPBF-ORQFMDKSSA-N 0 3 321.421 1.015 50 0 DDAAHN Cc1n[nH]c(C)c1CC(=O)NCCCOC1CCN(C)CC1 ZINC000299802633 410640805 /nfs/dbraw/zinc/64/08/05/410640805.db2.gz UFQZEPUVVSWTRO-UHFFFAOYSA-N 0 3 308.426 1.186 50 0 DDAAHN COCCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000241837479 222211601 /nfs/dbraw/zinc/21/16/01/222211601.db2.gz SKMIMFSHUJBGPO-JKSUJKDBSA-N 0 3 320.433 1.883 50 0 DDAAHN COCCn1cc(NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cn1 ZINC000242302406 222213325 /nfs/dbraw/zinc/21/33/25/222213325.db2.gz YSJHDJOMSBFLTH-BXUZGUMPSA-N 0 3 307.398 1.134 50 0 DDAAHN COc1ccc(NC(=O)CN2CCN3CCC[C@H]3C2)c(OC)c1 ZINC000247002645 222226280 /nfs/dbraw/zinc/22/62/80/222226280.db2.gz BPHLOCUAAYZWOU-ZDUSSCGKSA-N 0 3 319.405 1.422 50 0 DDAAHN Cc1cc([C@@H]2CCCN2C[C@@H](O)COC[C@H]2CCCO2)on1 ZINC000252452476 222244367 /nfs/dbraw/zinc/24/43/67/222244367.db2.gz KUDDLAJGWWUYBN-KFWWJZLASA-N 0 3 310.394 1.676 50 0 DDAAHN CCN1CC[C@H](NC(=O)Cc2csc(-c3ccccn3)n2)C1 ZINC000408520903 418807802 /nfs/dbraw/zinc/80/78/02/418807802.db2.gz APWQNCVYPCNHLG-LBPRGKRZSA-N 0 3 316.430 1.958 50 0 DDAAHN CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CCCN1C ZINC000408521814 418808205 /nfs/dbraw/zinc/80/82/05/418808205.db2.gz KDKFJDJKNJRHGD-LSDHHAIUSA-N 0 3 309.454 1.720 50 0 DDAAHN C[NH+]1CCC(CCC(=O)NCc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000426371189 419450498 /nfs/dbraw/zinc/45/04/98/419450498.db2.gz QCTKPAIKQBGMBD-UHFFFAOYSA-N 0 3 319.331 1.562 50 0 DDAAHN C[NH+]1CCC(CCC(=O)NCc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000426371189 419450505 /nfs/dbraw/zinc/45/05/05/419450505.db2.gz QCTKPAIKQBGMBD-UHFFFAOYSA-N 0 3 319.331 1.562 50 0 DDAAHN O=C(c1cncc(F)c1)N1CCN([C@H]2CN3CCC2CC3)CC1 ZINC000426386940 419454551 /nfs/dbraw/zinc/45/45/51/419454551.db2.gz RLDGVLLBGWQFHL-INIZCTEOSA-N 0 3 318.396 1.073 50 0 DDAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1[nH]nc2ccccc21 ZINC000299754868 229398168 /nfs/dbraw/zinc/39/81/68/229398168.db2.gz ANHNEWOTOLXZMH-KBPBESRZSA-N 0 3 302.378 1.400 50 0 DDAAHN CN1Cc2ccccc2C[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000067872802 277209156 /nfs/dbraw/zinc/20/91/56/277209156.db2.gz NCQUGHSRKHQAJH-CQSZACIVSA-N 0 3 310.401 1.685 50 0 DDAAHN Cc1nn(C)c(N2CCOCC2)c1CNCC1(O)CCCCC1 ZINC000237805129 279199092 /nfs/dbraw/zinc/19/90/92/279199092.db2.gz FCESXDOTYHVBQG-UHFFFAOYSA-N 0 3 322.453 1.350 50 0 DDAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CNCCCO ZINC000004046843 281098946 /nfs/dbraw/zinc/09/89/46/281098946.db2.gz YVHMDUOTURLDTR-RDJZCZTQSA-N 0 3 317.433 1.101 50 0 biogenic DDAAHN C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1N(C)C ZINC000096476480 289968804 /nfs/dbraw/zinc/96/88/04/289968804.db2.gz UPEDWRVNIYWOFI-RYUDHWBXSA-N 0 3 314.426 1.977 50 0 DDAAHN Cc1cnn([C@@H](C)[C@@H](C)NCCS(=O)(=O)C(F)(F)F)c1 ZINC000071882214 293004336 /nfs/dbraw/zinc/00/43/36/293004336.db2.gz MOZLDSZDICJQNS-ZJUUUORDSA-N 0 3 313.345 1.665 50 0 DDAAHN C[C@H]1CN(C(=O)NCC(F)(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000253417014 300140450 /nfs/dbraw/zinc/14/04/50/300140450.db2.gz WUCVFSNTIFLWFP-RYUDHWBXSA-N 0 3 322.375 1.216 50 0 DDAAHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)N(C)[C@H](C)C1CC1 ZINC000106917493 337383254 /nfs/dbraw/zinc/38/32/54/337383254.db2.gz HBKQSMZWIAYCPG-BPLDGKMQSA-N 0 3 315.483 1.520 50 0 DDAAHN CC(=O)Nc1cccc([C@@H](C)NC[C@H]2CN3CCN2CC3)c1 ZINC000090647416 484012331 /nfs/dbraw/zinc/01/23/31/484012331.db2.gz CEMIZWALUMOYFZ-DYVFJYSZSA-N 0 3 302.422 1.295 50 0 DDAAHN COc1cc(CCO)ccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000656257702 484050610 /nfs/dbraw/zinc/05/06/10/484050610.db2.gz KXMSTKNUYKJQRB-MRXNPFEDSA-N 0 3 320.433 1.895 50 0 DDAAHN COc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1C ZINC000022999728 490576444 /nfs/dbraw/zinc/57/64/44/490576444.db2.gz HWYCPYSJJJFDHS-UHFFFAOYSA-N 0 3 312.435 1.624 50 0 DDAAHN O=C(CNC[C@@H]1CCCO1)NC[C@@H](O)c1ccccc1Cl ZINC000299738668 534593570 /nfs/dbraw/zinc/59/35/70/534593570.db2.gz FAUUEJMKOSUBIX-SMDDNHRTSA-N 0 3 312.797 1.258 50 0 DDAAHN Cc1ccccc1OC[C@@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000170050138 545647945 /nfs/dbraw/zinc/64/79/45/545647945.db2.gz PEEUJDKZYTUVLI-KGLIPLIRSA-N 0 3 308.447 1.974 50 0 DDAAHN CC(C)=CCN1CCN(CCCn2cccn2)C[C@@H]1CCO ZINC000022932824 696080387 /nfs/dbraw/zinc/08/03/87/696080387.db2.gz MHGNUCUNLVOXPO-KRWDZBQOSA-N 0 3 306.454 1.608 50 0 DDAAHN C/C=C\c1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(OC)c1 ZINC000048557315 696213974 /nfs/dbraw/zinc/21/39/74/696213974.db2.gz SFFPSBPGLGJTND-QGZUEGPWSA-N 0 3 321.417 1.925 50 0 DDAAHN CC(=O)OC12C[C@@H]3C[C@H](C1)CC(C(=O)OCCN(C)C)(C3)C2 ZINC000005639407 748538602 /nfs/dbraw/zinc/53/86/02/748538602.db2.gz OIDDKCFINMRNKD-CBHXASLJSA-N 0 3 309.406 1.993 50 0 DDAAHN COc1cc(N)ccc1N1CCC(N2CCN(C)CC2)CC1 ZINC000204000536 751075550 /nfs/dbraw/zinc/07/55/50/751075550.db2.gz JHPDGTZPYTWLTG-UHFFFAOYSA-N 0 3 304.438 1.494 50 0 DDAAHN NC(=O)CN1CCC[C@@H](c2nnc(-c3c[nH]c4ccccc43)[nH]2)C1 ZINC000826838769 759316102 /nfs/dbraw/zinc/31/61/02/759316102.db2.gz QGNRWYYLRZXBHR-LLVKDONJSA-N 0 3 324.388 1.618 50 0 DDAAHN Cc1ccc(S(=O)(=O)NCCN[C@@H]2CCO[C@@H]2C)s1 ZINC000090582500 185305266 /nfs/dbraw/zinc/30/52/66/185305266.db2.gz CXZOONVMFSPKLY-GHMZBOCLSA-N 0 3 304.437 1.102 50 0 DDAAHN CN(CCCN1C(=O)NC(C)(C)C1=O)CCc1nccs1 ZINC000095435434 185364758 /nfs/dbraw/zinc/36/47/58/185364758.db2.gz KNBIXKXXWAEINC-UHFFFAOYSA-N 0 3 310.423 1.338 50 0 DDAAHN CN(C)C[C@H]1CN(Cc2nc(-c3cccs3)n[nH]2)CCO1 ZINC000095456073 185370006 /nfs/dbraw/zinc/37/00/06/185370006.db2.gz AFNVOARLSLLEIM-NSHDSACASA-N 0 3 307.423 1.296 50 0 DDAAHN CCn1nccc1S(=O)(=O)NCC1(N(C)C)CCCC1 ZINC000331031627 232385634 /nfs/dbraw/zinc/38/56/34/232385634.db2.gz ZQGIJONAVKDGMX-UHFFFAOYSA-N 0 3 300.428 1.056 50 0 DDAAHN Cc1cccc([C@H](Cn2cnc3cn(C)nc3c2=O)N(C)C)c1 ZINC000072154584 191059109 /nfs/dbraw/zinc/05/91/09/191059109.db2.gz DPYMJHQDUZLPQK-HNNXBMFYSA-N 0 3 311.389 1.741 50 0 DDAAHN CC(C)CN(CCN(C)C)C(=O)c1cnc2ccccn2c1=O ZINC000072230582 191077898 /nfs/dbraw/zinc/07/78/98/191077898.db2.gz FXCWFRHDFLFDNB-UHFFFAOYSA-N 0 3 316.405 1.354 50 0 DDAAHN Cc1nc(CC(=O)NCc2c(C)ncc3c2CCNC3)cs1 ZINC000072418648 191156392 /nfs/dbraw/zinc/15/63/92/191156392.db2.gz FOGQMUPBFLCWNG-UHFFFAOYSA-N 0 3 316.430 1.660 50 0 DDAAHN Cc1cccc(CN2CCN(C(=O)C[C@@H]3COCCN3)CC2)c1 ZINC000072480966 191180639 /nfs/dbraw/zinc/18/06/39/191180639.db2.gz MBJIAQANQNIRRX-QGZVFWFLSA-N 0 3 317.433 1.018 50 0 DDAAHN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)N ZINC000195554690 354296551 /nfs/dbraw/zinc/29/65/51/354296551.db2.gz HAVIEWDUZPQNNP-YSVLISHTSA-N 0 3 318.465 1.796 50 0 DDAAHN COc1cccc([C@H](C)N[C@@H](C)C(=O)N2CC[C@@](C)(O)C2)c1 ZINC000195580380 354298750 /nfs/dbraw/zinc/29/87/50/354298750.db2.gz WQNNRNNXKULZCS-GDZNZVCISA-N 0 3 306.406 1.718 50 0 DDAAHN CC(C)N1CCCN(C(=O)CNc2ccc(C(N)=O)cc2)CC1 ZINC000073334165 191304958 /nfs/dbraw/zinc/30/49/58/191304958.db2.gz XMGGEVAMGBWHQG-UHFFFAOYSA-N 0 3 318.421 1.140 50 0 DDAAHN COCCN(CCOc1ccccc1)C(=O)N[C@H]1CCN(C)C1 ZINC000584884464 354788402 /nfs/dbraw/zinc/78/84/02/354788402.db2.gz VDWNOLLHYLJJHS-HNNXBMFYSA-N 0 3 321.421 1.428 50 0 DDAAHN COc1cccc(CNCCCSc2nnnn2C)c1OC ZINC000004993814 181186573 /nfs/dbraw/zinc/18/65/73/181186573.db2.gz RLZFACBIZQNBCM-UHFFFAOYSA-N 0 3 323.422 1.499 50 0 DDAAHN Cc1ccc(N2C[C@H](NC(=O)NCCN(C)C)CC2=O)cc1C ZINC000005187763 181215252 /nfs/dbraw/zinc/21/52/52/181215252.db2.gz ZTPDWEWNBOUCQG-CQSZACIVSA-N 0 3 318.421 1.270 50 0 DDAAHN C[C@H](NCC(C)(C)NS(C)(=O)=O)c1ccccc1N(C)C ZINC000089581230 299277674 /nfs/dbraw/zinc/27/76/74/299277674.db2.gz ZVYLRYWOIOVQFM-LBPRGKRZSA-N 0 3 313.467 1.731 50 0 DDAAHN CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000195315941 201379764 /nfs/dbraw/zinc/37/97/64/201379764.db2.gz GDEODOLLRJMRCG-GXTWGEPZSA-N 0 3 304.456 1.205 50 0 DDAAHN CC(C)[C@H](O)CN1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621382025 364837964 /nfs/dbraw/zinc/83/79/64/364837964.db2.gz GYMUOZAVKHUWNX-OAHLLOKOSA-N 0 3 309.385 1.064 50 0 DDAAHN Cc1cc(C)c(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c(=O)[nH]1 ZINC000091605041 193078505 /nfs/dbraw/zinc/07/85/05/193078505.db2.gz GGQQPOWRMIFSFP-CQSZACIVSA-N 0 3 321.421 1.175 50 0 DDAAHN CCCC[C@@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)C(N)=O ZINC000092002557 193139205 /nfs/dbraw/zinc/13/92/05/193139205.db2.gz RIWNEJNXKGPBLF-CQSZACIVSA-N 0 3 305.353 1.801 50 0 DDAAHN CN(CCN1C(=O)c2ccccc2C1=O)CC1=CCCOC1 ZINC000093837876 193314980 /nfs/dbraw/zinc/31/49/80/193314980.db2.gz JHPOWZOUEPEUBM-UHFFFAOYSA-N 0 3 300.358 1.561 50 0 DDAAHN CCN1CCN(C[C@]2(O)CCCN(CC(C)(C)C)C2=O)CC1 ZINC000020325060 182207526 /nfs/dbraw/zinc/20/75/26/182207526.db2.gz UVTDWNRHBIIFSK-QGZVFWFLSA-N 0 3 311.470 1.024 50 0 DDAAHN Cc1ncc(CN2CCC[C@H](Cn3cc(CO)nn3)C2)s1 ZINC000020602252 182237032 /nfs/dbraw/zinc/23/70/32/182237032.db2.gz VNSOEHRWWZAAPL-LBPRGKRZSA-N 0 3 307.423 1.448 50 0 DDAAHN CN(C)CCNCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000022037982 182305324 /nfs/dbraw/zinc/30/53/24/182305324.db2.gz XJFHZRGHSSKKEH-UHFFFAOYSA-N 0 3 301.293 1.098 50 0 DDAAHN COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCCN(C)CC2)c1 ZINC000040161495 183041091 /nfs/dbraw/zinc/04/10/91/183041091.db2.gz SHHDOOCSLXOKLW-CYBMUJFWSA-N 0 3 321.421 1.668 50 0 DDAAHN CC(C)C[C@H](CNc1ncnc2[nH]cnc21)N1CCOCC1 ZINC000040512415 183087330 /nfs/dbraw/zinc/08/73/30/183087330.db2.gz CMFIAMIOUHXVDL-GFCCVEGCSA-N 0 3 304.398 1.512 50 0 DDAAHN Cc1ccc([C@H](CNC(=O)c2ccc(=O)n(C)n2)N(C)C)cc1 ZINC000058161171 184082540 /nfs/dbraw/zinc/08/25/40/184082540.db2.gz FBGLPGCWZRXTJE-HNNXBMFYSA-N 0 3 314.389 1.121 50 0 DDAAHN CN(C)[C@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000058378469 184110373 /nfs/dbraw/zinc/11/03/73/184110373.db2.gz VENQUHDCIARQCD-ZDUSSCGKSA-N 0 3 305.378 1.651 50 0 DDAAHN Cc1nccn1-c1cc(CNC(=O)NC[C@@H](C)N(C)C)ccn1 ZINC000065417376 184341475 /nfs/dbraw/zinc/34/14/75/184341475.db2.gz FNTNBOHLESUDCE-GFCCVEGCSA-N 0 3 316.409 1.325 50 0 DDAAHN NCCc1n[nH]c(=O)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000065435956 184344673 /nfs/dbraw/zinc/34/46/73/184344673.db2.gz JUNZKCKORVZTEE-UHFFFAOYSA-N 0 3 306.675 1.734 50 0 DDAAHN Cc1n[nH]cc1CNCc1cccc(CN2CCOCC2)c1 ZINC000065529409 184360128 /nfs/dbraw/zinc/36/01/28/184360128.db2.gz MQSATSHMTDWSKV-UHFFFAOYSA-N 0 3 300.406 1.840 50 0 DDAAHN COCCN(C)CCNC(=O)/C=C/c1c(C)nn(C)c1Cl ZINC000065531984 184361695 /nfs/dbraw/zinc/36/16/95/184361695.db2.gz IMMCYMFZKAZQKI-AATRIKPKSA-N 0 3 314.817 1.090 50 0 DDAAHN CN1CCO[C@H](CNCc2csc(Br)c2)C1 ZINC000069384208 184511426 /nfs/dbraw/zinc/51/14/26/184511426.db2.gz JJPLUPVGNCFRLL-SNVBAGLBSA-N 0 3 305.241 1.931 50 0 DDAAHN Cc1ccccc1-c1csc(NC(=O)[C@@H]2C[C@@H](O)CN2)n1 ZINC000366338975 257235459 /nfs/dbraw/zinc/23/54/59/257235459.db2.gz QVIDNKQIBXQEAC-PWSUYJOCSA-N 0 3 303.387 1.780 50 0 DDAAHN C[C@H](N)C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000178719734 407563199 /nfs/dbraw/zinc/56/31/99/407563199.db2.gz LOWHWHMNCKCCQT-MCIONIFRSA-N 0 3 305.422 1.259 50 0 DDAAHN NC(=O)[C@@H](c1ccccc1)N1CCC(CN2CCOCC2)CC1 ZINC000069029272 406677580 /nfs/dbraw/zinc/67/75/80/406677580.db2.gz KZTIEGZTMPAXHG-QGZVFWFLSA-N 0 3 317.433 1.257 50 0 DDAAHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1OC ZINC000002852362 406704522 /nfs/dbraw/zinc/70/45/22/406704522.db2.gz ZGGPARUMGCQZFG-LBPRGKRZSA-N 0 3 305.378 1.234 50 0 DDAAHN CCN(CC)CC(=O)N1CCN(CCc2ccncc2)CC1 ZINC000069591939 406739807 /nfs/dbraw/zinc/73/98/07/406739807.db2.gz SPVQEMGSYZIBFG-UHFFFAOYSA-N 0 3 304.438 1.110 50 0 DDAAHN O=[S@@](CCN1CCC[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000069841463 406778016 /nfs/dbraw/zinc/77/80/16/406778016.db2.gz REUPCBULWZEOQR-OYHNWAKOSA-N 0 3 318.446 1.798 50 0 DDAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1cscn1 ZINC000069874905 406786673 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MSMIHRWPHWXERA-UAGQMJEPSA-N 0 3 322.449 1.657 50 0 DDAAHN Cc1cccc(CNCCS(=O)(=O)N2CCOCC2)c1C ZINC000096404228 407259737 /nfs/dbraw/zinc/25/97/37/407259737.db2.gz LIIIQZLADSVPOZ-UHFFFAOYSA-N 0 3 312.435 1.055 50 0 DDAAHN Cc1ccc(NC(=O)CC(=O)N2CCN3CCC[C@@H]3C2)c(C)c1 ZINC000055283069 407200396 /nfs/dbraw/zinc/20/03/96/407200396.db2.gz NFMZDSVEVFPZTQ-OAHLLOKOSA-N 0 3 315.417 1.939 50 0 DDAAHN CC(=O)NCCC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000066946207 407264526 /nfs/dbraw/zinc/26/45/26/407264526.db2.gz XEDBIOBNYPBFAO-UHFFFAOYSA-N 0 3 319.449 1.536 50 0 DDAAHN COc1cc(OC)cc(N2CC[C@@H](NCc3cnn(C)c3)C2)c1 ZINC000096449351 407268348 /nfs/dbraw/zinc/26/83/48/407268348.db2.gz ZFLQWUWHEBRYNO-CQSZACIVSA-N 0 3 316.405 1.806 50 0 DDAAHN CC(C)=CCN1CCC(NC(=O)N[C@@](C)(CO)C2CC2)CC1 ZINC000096475246 407270468 /nfs/dbraw/zinc/27/04/68/407270468.db2.gz OXVUMFITEUNABF-KRWDZBQOSA-N 0 3 309.454 1.877 50 0 DDAAHN CN(C)CCNC(=O)c1sccc1NC(=O)c1cnccn1 ZINC000067335658 407271317 /nfs/dbraw/zinc/27/13/17/407271317.db2.gz PIWXCTOIOHKZLO-UHFFFAOYSA-N 0 3 319.390 1.082 50 0 DDAAHN O=C(NC[C@H]1CCCN(C/C=C/c2ccco2)C1)c1nnc[nH]1 ZINC000067641645 407278622 /nfs/dbraw/zinc/27/86/22/407278622.db2.gz AVUDPTGNWBMEID-ADQTWTKMSA-N 0 3 315.377 1.553 50 0 DDAAHN COC(=O)C1(c2ccccc2)CCN(CCC2OCCO2)CC1 ZINC000097161644 407284237 /nfs/dbraw/zinc/28/42/37/407284237.db2.gz XOOJHOIFGFMLDJ-UHFFFAOYSA-N 0 3 319.401 1.956 50 0 DDAAHN O=C(C[C@H]1CNCCO1)N(Cc1ccccc1)CC(F)(F)F ZINC000097436963 407294073 /nfs/dbraw/zinc/29/40/73/407294073.db2.gz BATWWBBJLBCTQV-ZDUSSCGKSA-N 0 3 316.323 1.956 50 0 DDAAHN c1cc2nonc2c(CN2CCN(C3CCOCC3)CC2)c1 ZINC000097679856 407301043 /nfs/dbraw/zinc/30/10/43/407301043.db2.gz SZOVCYCSUHCBQN-UHFFFAOYSA-N 0 3 302.378 1.519 50 0 DDAAHN O=C(c1ccc(=O)[nH]c1)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000215225094 407480166 /nfs/dbraw/zinc/48/01/66/407480166.db2.gz NGSWGGWEZJHBQA-OAHLLOKOSA-N 0 3 319.405 1.092 50 0 DDAAHN CCCN(CC1CC1)C(=O)c1nn(CCOC)c2c1CNCC2 ZINC000257196518 407489566 /nfs/dbraw/zinc/48/95/66/407489566.db2.gz YJADYAKJQVZFIS-UHFFFAOYSA-N 0 3 320.437 1.437 50 0 DDAAHN COc1ccccc1CCC(=O)N1C[C@@H](CO)[C@H](N(C)C)C1 ZINC000253414355 407442345 /nfs/dbraw/zinc/44/23/45/407442345.db2.gz XFSOZBSSNZNWMF-LSDHHAIUSA-N 0 3 306.406 1.009 50 0 DDAAHN COC(=O)c1cn([C@H]2CCCN(C[C@H]3CCC(C)(C)O3)C2)nn1 ZINC000253430431 407449436 /nfs/dbraw/zinc/44/94/36/407449436.db2.gz KYTNBOUAERAQMJ-QWHCGFSZSA-N 0 3 322.409 1.659 50 0 DDAAHN Cc1csc([C@@H](C)NC(=O)CN(C)C2CCN(C)CC2)n1 ZINC000219785654 407532455 /nfs/dbraw/zinc/53/24/55/407532455.db2.gz HBKMIABATAFJEH-GFCCVEGCSA-N 0 3 310.467 1.655 50 0 DDAAHN C[C@@H]1CCCC[C@H]1OCCN1CCNC[C@@H]1c1nccn1C ZINC000261840504 407637339 /nfs/dbraw/zinc/63/73/39/407637339.db2.gz WMTBJPXNQWXTHT-BZUAXINKSA-N 0 3 306.454 1.962 50 0 DDAAHN C[C@H](C(=O)NC1CCCCC1)N1CCC[C@@H](C2OCCO2)C1 ZINC000229403646 407662703 /nfs/dbraw/zinc/66/27/03/407662703.db2.gz DKNCPFUPDIJIHJ-ZIAGYGMSSA-N 0 3 310.438 1.909 50 0 DDAAHN CN(C)[C@H]1CCN(CC(=O)N2CCC(c3ccncc3)CC2)C1 ZINC000243932679 407925182 /nfs/dbraw/zinc/92/51/82/407925182.db2.gz BXSFAGSEDDDFBJ-KRWDZBQOSA-N 0 3 316.449 1.424 50 0 DDAAHN Cc1cc(Cl)ccc1CN(C)C[C@H](O)CN1CCOCC1 ZINC000136205044 408088688 /nfs/dbraw/zinc/08/86/88/408088688.db2.gz GLWRALGDBIEDBS-INIZCTEOSA-N 0 3 312.841 1.773 50 0 DDAAHN O=C(NCCN1CCCCC1)NC[C@H]1CSCCS1 ZINC000176368180 408350335 /nfs/dbraw/zinc/35/03/35/408350335.db2.gz TXLLXLGPSUIPDD-LBPRGKRZSA-N 0 3 303.497 1.620 50 0 DDAAHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1Cl ZINC000252586079 408805847 /nfs/dbraw/zinc/80/58/47/408805847.db2.gz NIYDPBGKENSXOW-RYUDHWBXSA-N 0 3 321.808 1.974 50 0 DDAAHN CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000249702712 408756263 /nfs/dbraw/zinc/75/62/63/408756263.db2.gz ZDGRKFSYRGVMJC-HOTGVXAUSA-N 0 3 321.465 1.626 50 0 DDAAHN CNS(=O)(=O)c1ccc([C@H](C)NC[C@H]2CC[C@@H](C)O2)cc1 ZINC000191047478 163170087 /nfs/dbraw/zinc/17/00/87/163170087.db2.gz TVSMSIKGHOFUMA-MBNYWOFBSA-N 0 3 312.435 1.813 50 0 DDAAHN CCN1CCN([C@@H](C)CNc2nc(OC)ncc2Cl)CC1 ZINC000301670444 410767788 /nfs/dbraw/zinc/76/77/88/410767788.db2.gz FFSJKSDCONGZSQ-NSHDSACASA-N 0 3 313.833 1.577 50 0 DDAAHN NC(=O)NC[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000048262123 418467928 /nfs/dbraw/zinc/46/79/28/418467928.db2.gz AXUIBPYKTJNYSK-OAHLLOKOSA-N 0 3 313.405 1.753 50 0 DDAAHN CN1CCC(OCCCNC(=O)c2ncc(F)cc2F)CC1 ZINC000223898739 418564098 /nfs/dbraw/zinc/56/40/98/418564098.db2.gz YIDVBZOYPZJYFM-UHFFFAOYSA-N 0 3 313.348 1.591 50 0 DDAAHN C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccc(F)cc1F ZINC000241287115 222212319 /nfs/dbraw/zinc/21/23/19/222212319.db2.gz LKBLSKJKDWVTKT-IINYFYTJSA-N 0 3 318.389 1.724 50 0 DDAAHN COCCc1nnc(SCCN2C[C@@H](C)C[C@H](C)C2)n1N ZINC000408522750 418808052 /nfs/dbraw/zinc/80/80/52/418808052.db2.gz CZPCQXYKUXCKFQ-RYUDHWBXSA-N 0 3 313.471 1.251 50 0 DDAAHN O=C(NCc1ccc2sccc2c1)NC[C@H]1CNCCO1 ZINC000426477517 419480908 /nfs/dbraw/zinc/48/09/08/419480908.db2.gz GEMUBXGAGYTICD-CYBMUJFWSA-N 0 3 305.403 1.689 50 0 DDAAHN Cn1cccc1CCC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000426642849 419525443 /nfs/dbraw/zinc/52/54/43/419525443.db2.gz DIJXCZHBXXAEKF-KRWDZBQOSA-N 0 3 319.449 1.717 50 0 DDAAHN COCCNC(=O)N1CCCN(C2CCSCC2)CC1 ZINC000575605435 422303951 /nfs/dbraw/zinc/30/39/51/422303951.db2.gz FLQFPCXPTLQNRD-UHFFFAOYSA-N 0 3 301.456 1.246 50 0 DDAAHN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H](C2OCCO2)C1 ZINC000229403517 274293646 /nfs/dbraw/zinc/29/36/46/274293646.db2.gz REPYEDBKLIIPGB-RBSFLKMASA-N 0 3 310.438 1.861 50 0 DDAAHN Cc1c([C@@H](C)NCC(C)(C)C(N)=O)cnn1-c1ccccn1 ZINC000183637410 274665628 /nfs/dbraw/zinc/66/56/28/274665628.db2.gz NEZKOGJRSAPJKV-LLVKDONJSA-N 0 3 301.394 1.738 50 0 DDAAHN Nc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)[nH]n1 ZINC000216147334 274964142 /nfs/dbraw/zinc/96/41/42/274964142.db2.gz IQYQDYAEBXMVSM-OAHLLOKOSA-N 0 3 313.405 1.949 50 0 DDAAHN CC(C)c1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)[nH]n1 ZINC000069576095 278006813 /nfs/dbraw/zinc/00/68/13/278006813.db2.gz HPDTXHYAUFXHEL-ZDUSSCGKSA-N 0 3 308.426 1.716 50 0 DDAAHN COc1ncccc1CN1CCN(c2cc(C)nc(N)n2)CC1 ZINC000065382385 278094791 /nfs/dbraw/zinc/09/47/91/278094791.db2.gz FYNWKLMZGOFEQZ-UHFFFAOYSA-N 0 3 314.393 1.093 50 0 DDAAHN Cc1cnn(CCN[C@@H](C)C(=O)N2CCc3sccc3C2)c1 ZINC000071872097 293002391 /nfs/dbraw/zinc/00/23/91/293002391.db2.gz HHZKZULSEASAMY-ZDUSSCGKSA-N 0 3 318.446 1.816 50 0 DDAAHN CN1CCN(C(=O)Cc2ccccc2C(F)(F)F)[C@H](CN)C1 ZINC000097228978 337382278 /nfs/dbraw/zinc/38/22/78/337382278.db2.gz DYUHCBCCPCDLSB-GFCCVEGCSA-N 0 3 315.339 1.349 50 0 DDAAHN Cc1noc(C)c1CNC(=O)CN[C@](C)(CO)C1CCCCC1 ZINC000077656449 483962348 /nfs/dbraw/zinc/96/23/48/483962348.db2.gz JMMOUWZGMQJKCD-QGZVFWFLSA-N 0 3 323.437 1.829 50 0 DDAAHN CN(CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)Cc1ccc(F)cc1 ZINC000077303424 483962439 /nfs/dbraw/zinc/96/24/39/483962439.db2.gz DJBUOPZRUSIZSV-GOEBONIOSA-N 0 3 305.397 1.420 50 0 DDAAHN C[C@H](CC(=O)N1CCCCCC1)NC[C@@H]1CCCS1(=O)=O ZINC000090466007 484009562 /nfs/dbraw/zinc/00/95/62/484009562.db2.gz DRLHXZJLZNIOHA-KGLIPLIRSA-N 0 3 316.467 1.334 50 0 DDAAHN O=c1c2c(-c3ccco3)csc2ncn1C[C@H]1CNCCO1 ZINC000670455400 484841766 /nfs/dbraw/zinc/84/17/66/484841766.db2.gz DSMRKHBORUEOQN-SNVBAGLBSA-N 0 3 317.370 1.706 50 0 DDAAHN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C[C@H](N)c2ccccc2)C1 ZINC000170050492 545647679 /nfs/dbraw/zinc/64/76/79/545647679.db2.gz SZCCTRMAXYXHLG-KFWWJZLASA-N 0 3 324.446 1.549 50 0 DDAAHN CN1CCC(Oc2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC000169751904 697344266 /nfs/dbraw/zinc/34/42/66/697344266.db2.gz KRPSXELMFVTMPQ-UHFFFAOYSA-N 0 3 305.378 1.027 50 0 DDAAHN Cc1ccc(CN(C)[C@H]2CCc3nn(C)c(=O)n3CC2)nc1 ZINC000169783365 697345543 /nfs/dbraw/zinc/34/55/43/697345543.db2.gz DLGYKDJTJGPJEI-AWEZNQCLSA-N 0 3 301.394 1.122 50 0 DDAAHN O=C(NCCc1cnn(-c2ccccc2)c1)[C@H]1C[C@H](F)CN1 ZINC000188297311 697556326 /nfs/dbraw/zinc/55/63/26/697556326.db2.gz OFGHGMXMBHYMCX-DZGCQCFKSA-N 0 3 302.353 1.231 50 0 DDAAHN COC(=O)c1ccc2c(c1)CC[C@@H](N[C@H]1CCSC1)C(=O)N2 ZINC000952995302 721534567 /nfs/dbraw/zinc/53/45/67/721534567.db2.gz HUIOSBBOXMXEOC-GXTWGEPZSA-N 0 3 320.414 1.822 50 0 DDAAHN c1ccc(C23CN4CC(CN(C2)CC4)[C@@H]3Nc2cnccn2)cc1 ZINC000829065395 759882421 /nfs/dbraw/zinc/88/24/21/759882421.db2.gz ZAKUHJIBFMQFIO-OBONGRFPSA-N 0 3 321.428 1.456 50 0 DDAAHN COCCN1CC[C@@H](CN(C)c2nc3c(s2)c(C)nn3C)C1 ZINC000095519937 185377174 /nfs/dbraw/zinc/37/71/74/185377174.db2.gz FIJIKMQTCFTMLR-LBPRGKRZSA-N 0 3 323.466 1.743 50 0 DDAAHN Cc1nc(Cn2cnc3sc4c(c3c2=O)CCNC4)cs1 ZINC000082170747 185174439 /nfs/dbraw/zinc/17/44/39/185174439.db2.gz KBDZAOASIQWLEK-UHFFFAOYSA-N 0 3 318.427 1.917 50 0 DDAAHN CN1CCN(C)[C@@H](CNCc2ccc(OC(F)F)c(F)c2)C1 ZINC000221968369 539265349 /nfs/dbraw/zinc/26/53/49/539265349.db2.gz ZVPDFLIIYWCPAU-LBPRGKRZSA-N 0 3 317.355 1.763 50 0 DDAAHN Nc1nnc(CNC(=O)[C@H]2CCCN(Cc3ccco3)C2)s1 ZINC000222961283 539265639 /nfs/dbraw/zinc/26/56/39/539265639.db2.gz XRGWQVXRKKDZCW-JTQLQIEISA-N 0 3 321.406 1.242 50 0 DDAAHN CCc1nc(CN(C)[C@H]2CCN(CCc3ccncc3)C2)no1 ZINC000095402331 185354705 /nfs/dbraw/zinc/35/47/05/185354705.db2.gz LVPSMGRWHBQGRV-HNNXBMFYSA-N 0 3 315.421 1.776 50 0 DDAAHN CCc1noc(CN(C)C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000069768925 190814402 /nfs/dbraw/zinc/81/44/02/190814402.db2.gz DYSRTBBAGQPDBM-STQMWFEESA-N 0 3 323.441 1.751 50 0 DDAAHN CCOCc1nc2c(c(NCc3ncc[nH]3)n1)CCN(C)CC2 ZINC000072410368 191154700 /nfs/dbraw/zinc/15/47/00/191154700.db2.gz YFYGHAJHDRMLBG-UHFFFAOYSA-N 0 3 316.409 1.379 50 0 DDAAHN CCCc1nc([C@@H]2CN(C(=O)[C@@H]3CCCCN3C)CCO2)n[nH]1 ZINC000076046644 353393245 /nfs/dbraw/zinc/39/32/45/353393245.db2.gz FTCSYVVSVPMWBX-STQMWFEESA-N 0 3 321.425 1.141 50 0 DDAAHN CCCc1nnc([C@@H]2CN(C(=O)[C@@H]3CCCCN3C)CCO2)[nH]1 ZINC000076046644 353393247 /nfs/dbraw/zinc/39/32/47/353393247.db2.gz FTCSYVVSVPMWBX-STQMWFEESA-N 0 3 321.425 1.141 50 0 DDAAHN c1cn2c(n1)[C@@H](CNCc1cnc(N3CCCC3)nc1)CCC2 ZINC000084613346 353725377 /nfs/dbraw/zinc/72/53/77/353725377.db2.gz VPQFRZVNMGUEQT-OAHLLOKOSA-N 0 3 312.421 1.941 50 0 DDAAHN CC(C)(N)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000236781595 202006338 /nfs/dbraw/zinc/00/63/38/202006338.db2.gz QZHNYMMLJLHBDS-UHFFFAOYSA-N 0 3 317.220 1.774 50 0 DDAAHN COC(=O)Cc1ccccc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000225488656 354317555 /nfs/dbraw/zinc/31/75/55/354317555.db2.gz SGWUHMRUTHRZAR-XJKSGUPXSA-N 0 3 316.401 1.568 50 0 DDAAHN CCOC(=O)C(C(=O)OCC)C1c2ccccc2N(C)C1=O ZINC000004772642 181150718 /nfs/dbraw/zinc/15/07/18/181150718.db2.gz IQAJHLXTBWRNMM-GFCCVEGCSA-N 0 3 305.330 1.489 50 0 DDAAHN O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)N1CCOCC1 ZINC000584888109 354791251 /nfs/dbraw/zinc/79/12/51/354791251.db2.gz WZPDLBNPBHTQHV-AWEZNQCLSA-N 0 3 307.394 1.533 50 0 DDAAHN CSCCN1CCC(n2cnc3cccnc3c2=O)CC1 ZINC000584886505 354789600 /nfs/dbraw/zinc/78/96/00/354789600.db2.gz YPCXEVGDXZZUNU-UHFFFAOYSA-N 0 3 304.419 1.791 50 0 DDAAHN CCOc1ccc(NC(=O)C(=O)NCCN(CC)CC)cc1 ZINC000005250953 181221963 /nfs/dbraw/zinc/22/19/63/181221963.db2.gz JYRYWPVPWMDOOC-UHFFFAOYSA-N 0 3 307.394 1.482 50 0 DDAAHN CC(C)c1nn(C)c(Cl)c1CNCC1(O)CCOCC1 ZINC000236839636 202033791 /nfs/dbraw/zinc/03/37/91/202033791.db2.gz POJDKNLKXGLGKD-UHFFFAOYSA-N 0 3 301.818 1.828 50 0 DDAAHN CNCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000237274867 202212553 /nfs/dbraw/zinc/21/25/53/202212553.db2.gz UBQMIBXRAOAUQK-ZDUSSCGKSA-N 0 3 313.804 1.779 50 0 DDAAHN C[C@H](Cc1ccccc1F)NCCN1CCCS1(=O)=O ZINC000188177214 200204536 /nfs/dbraw/zinc/20/45/36/200204536.db2.gz BSRVZFJFJTZVEL-GFCCVEGCSA-N 0 3 300.399 1.382 50 0 DDAAHN C[C@@H]1CN(Cc2ccccc2CNC(=O)C2(N)CC2)C[C@H](C)O1 ZINC000237617509 202306269 /nfs/dbraw/zinc/30/62/69/202306269.db2.gz VYBCANYKKCXZJF-OKILXGFUSA-N 0 3 317.433 1.403 50 0 DDAAHN Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)cc1F ZINC000237656115 202320271 /nfs/dbraw/zinc/32/02/71/202320271.db2.gz QUFCLUPUVQUMAG-SNVBAGLBSA-N 0 3 304.362 1.551 50 0 DDAAHN CN1CCN(C(=O)C2CCN(Cc3cccc(O)c3)CC2)CC1 ZINC000006379356 181335894 /nfs/dbraw/zinc/33/58/94/181335894.db2.gz ANQJEGBSHBOAPJ-UHFFFAOYSA-N 0 3 317.433 1.378 50 0 DDAAHN C[C@@H](CNS(=O)(=O)N1CCC(C)CC1)N1CCC[C@@H](C)C1 ZINC000195528928 201397986 /nfs/dbraw/zinc/39/79/86/201397986.db2.gz XHODJLOPBHOTNE-CABCVRRESA-N 0 3 317.499 1.673 50 0 DDAAHN O=C(Cc1ccc(Cl)cc1)N1C[C@H](O)[C@@H](N2CCCC2)C1 ZINC000222552805 201613575 /nfs/dbraw/zinc/61/35/75/201613575.db2.gz PYRJRUOAUUKCIO-GJZGRUSLSA-N 0 3 308.809 1.550 50 0 DDAAHN OCCN1CCN(C2CCN(Cc3ccccc3F)CC2)CC1 ZINC000019868408 182158247 /nfs/dbraw/zinc/15/82/47/182158247.db2.gz UHBSYJMPGUTIJR-UHFFFAOYSA-N 0 3 321.440 1.400 50 0 DDAAHN COc1cc(OC)c(OC)cc1CNCCN1CCOCC1 ZINC000019872200 182159366 /nfs/dbraw/zinc/15/93/66/182159366.db2.gz KJNROEFCGTXRSQ-UHFFFAOYSA-N 0 3 310.394 1.134 50 0 DDAAHN CN1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000020100452 182187182 /nfs/dbraw/zinc/18/71/82/182187182.db2.gz DOZXPSUYCUFNRC-UHFFFAOYSA-N 0 3 319.424 1.812 50 0 DDAAHN OCC1CCN(CCCc2nnnn2-c2ccccc2)CC1 ZINC000058412500 184114978 /nfs/dbraw/zinc/11/49/78/184114978.db2.gz ZUANJDLVZFJFPF-UHFFFAOYSA-N 0 3 301.394 1.299 50 0 DDAAHN O=C([O-])c1cccnc1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000065432327 184344108 /nfs/dbraw/zinc/34/41/08/184344108.db2.gz KAXBJYJJXKFZKZ-UHFFFAOYSA-N 0 3 312.373 1.887 50 0 DDAAHN COc1cc(CCC(=O)NC[C@H]2CCCN2C)cc(OC)c1 ZINC000065534376 184361778 /nfs/dbraw/zinc/36/17/78/184361778.db2.gz OPQGEDZYAVSODW-CQSZACIVSA-N 0 3 306.406 1.847 50 0 DDAAHN COc1cnc(N(C)C(=O)C2Oc3ccccc3O[C@H]2C)nc1 ZINC000332622355 533105861 /nfs/dbraw/zinc/10/58/61/533105861.db2.gz SISRKEHSPOXSMQ-HZMBPMFUSA-N 0 3 315.329 1.677 50 0 DDAAHN CCN1CCC[C@@H](NC(=O)N2CCC3(C[C@@H]3C(=O)OC)CC2)C1 ZINC000408159221 285230072 /nfs/dbraw/zinc/23/00/72/285230072.db2.gz OLSIUTNBCOLWQN-ZIAGYGMSSA-N 0 3 323.437 1.455 50 0 DDAAHN Cc1ccccc1O[C@H](C)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343304590 257236998 /nfs/dbraw/zinc/23/69/98/257236998.db2.gz IYYHAVLLZPRCCA-CVEARBPZSA-N 0 3 317.433 1.268 50 0 DDAAHN Cc1c(CN2CCCC[C@H]2CO)c(=O)n(-c2ccccc2)n1C ZINC000000757319 406658475 /nfs/dbraw/zinc/65/84/75/406658475.db2.gz JQVITKVTXNPINX-INIZCTEOSA-N 0 3 315.417 1.831 50 0 DDAAHN Cc1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000069588570 406739426 /nfs/dbraw/zinc/73/94/26/406739426.db2.gz NVWSIQQROLTVHR-INIZCTEOSA-N 0 3 317.433 1.668 50 0 DDAAHN Cc1cnn(C[C@H](C)NCC(=O)Nc2cc(C(C)C)no2)c1 ZINC000069632750 406748343 /nfs/dbraw/zinc/74/83/43/406748343.db2.gz NPZUOOPRNRWXLP-LBPRGKRZSA-N 0 3 305.382 1.920 50 0 DDAAHN CCOc1ccc(OCCC(=O)NCCN(C)CCOC)cc1 ZINC000069950574 406793657 /nfs/dbraw/zinc/79/36/57/406793657.db2.gz LJQDWQVIMVPPNO-UHFFFAOYSA-N 0 3 324.421 1.549 50 0 DDAAHN O[C@H](COCc1cccs1)CN1CCC[C@@H]1Cn1cccn1 ZINC000069949925 406794317 /nfs/dbraw/zinc/79/43/17/406794317.db2.gz YKAGEHJEECGGRX-CABCVRRESA-N 0 3 321.446 1.987 50 0 DDAAHN c1cc(C2CCCC2)nc(N2CCO[C@]3(C2)CNCCOC3)n1 ZINC000071523654 406839969 /nfs/dbraw/zinc/83/99/69/406839969.db2.gz XHRFBZADAFFRHK-KRWDZBQOSA-N 0 3 318.421 1.329 50 0 DDAAHN O=C([C@H]1COc2ccccc2C1)N1CCN(c2ccncc2)CC1 ZINC000070719219 406823064 /nfs/dbraw/zinc/82/30/64/406823064.db2.gz SAUJUKFXZBTBOJ-MRXNPFEDSA-N 0 3 323.396 1.982 50 0 DDAAHN C[C@@H](C(=O)N1CCN(CC(F)(F)F)CC1)N1CCCCCC1 ZINC000175097188 286754398 /nfs/dbraw/zinc/75/43/98/286754398.db2.gz FURYPVVTZFEPIP-ZDUSSCGKSA-N 0 3 321.387 1.957 50 0 DDAAHN Cc1cnn(C[C@@H]2CCCCN2C(=O)C(C)S(C)(=O)=O)c1 ZINC000071865905 406855652 /nfs/dbraw/zinc/85/56/52/406855652.db2.gz XNOLCQPDUVDIJS-STQMWFEESA-N 0 3 313.423 1.006 50 0 DDAAHN O=S(=O)(Cc1ccc(F)cc1)NCCCN1CCCC1 ZINC000013674763 406865829 /nfs/dbraw/zinc/86/58/29/406865829.db2.gz VNYNADPOYCKGMQ-UHFFFAOYSA-N 0 3 300.399 1.731 50 0 DDAAHN COc1ccc(NC(=O)NC[C@H]2COCCN(C)C2)c(OC)c1 ZINC000072135422 406873434 /nfs/dbraw/zinc/87/34/34/406873434.db2.gz HQIKJUZDTFVMHS-GFCCVEGCSA-N 0 3 323.393 1.404 50 0 DDAAHN Cc1cnn([C@H](C)[C@@H](C)NCC(=O)Nc2nnc(C)s2)c1 ZINC000072269806 406877783 /nfs/dbraw/zinc/87/77/83/406877783.db2.gz DKNFJOLRKWVUTA-NXEZZACHSA-N 0 3 308.411 1.529 50 0 DDAAHN O=C(NC1CCC(O)CC1)c1cnn(CCN2CCCCC2)c1 ZINC000072794290 406885907 /nfs/dbraw/zinc/88/59/07/406885907.db2.gz YOPDWJBVVWIFKP-UHFFFAOYSA-N 0 3 320.437 1.402 50 0 DDAAHN CN1CCc2[nH]nc(C(=O)N3CCC[C@@H]3c3ccccn3)c2C1 ZINC000071758794 406841618 /nfs/dbraw/zinc/84/16/18/406841618.db2.gz HIZDLDMQVUWCSF-OAHLLOKOSA-N 0 3 311.389 1.770 50 0 DDAAHN CNS(=O)(=O)c1ccc(CN(C)C[C@H]2CCCCO2)cc1 ZINC000071762202 406841804 /nfs/dbraw/zinc/84/18/04/406841804.db2.gz ZSRSVGFJIVERER-CQSZACIVSA-N 0 3 312.435 1.596 50 0 DDAAHN CC1(C)NC(=O)N(CCCN2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000071810536 406845007 /nfs/dbraw/zinc/84/50/07/406845007.db2.gz CETFJGXAPMZJRN-JTQLQIEISA-N 0 3 321.343 1.981 50 0 DDAAHN COCCn1cc(NC(=O)NC[C@H](CC(C)C)N(C)C)cn1 ZINC000071804879 406845642 /nfs/dbraw/zinc/84/56/42/406845642.db2.gz QKZCHQOBOPYNGF-AWEZNQCLSA-N 0 3 311.430 1.627 50 0 DDAAHN C[C@@H]1CN(CCCCNC(=O)Nc2nncs2)C[C@H](C)O1 ZINC000075110086 406921855 /nfs/dbraw/zinc/92/18/55/406921855.db2.gz JTIPIORVWTVKKP-PHIMTYICSA-N 0 3 313.427 1.549 50 0 DDAAHN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000076058665 406952806 /nfs/dbraw/zinc/95/28/06/406952806.db2.gz BVFHMYIINSAVTH-RDBSUJKOSA-N 0 3 304.456 1.204 50 0 DDAAHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc[nH]c1=O ZINC000084522437 407090701 /nfs/dbraw/zinc/09/07/01/407090701.db2.gz FOXXISZPXOJQMY-INIZCTEOSA-N 0 3 311.385 1.942 50 0 DDAAHN CC(C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)S(C)(=O)=O ZINC000045986120 407053211 /nfs/dbraw/zinc/05/32/11/407053211.db2.gz AFQOZDKULWDIRM-ZJUUUORDSA-N 0 3 324.402 1.182 50 0 DDAAHN CN1CCC(NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 ZINC000050038958 407125931 /nfs/dbraw/zinc/12/59/31/407125931.db2.gz XLDGQBSOIDBJBZ-UHFFFAOYSA-N 0 3 318.299 1.609 50 0 DDAAHN CCC(=O)Nc1ccc(OCC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000055197872 407196937 /nfs/dbraw/zinc/19/69/37/407196937.db2.gz QOOSPGAXTPITKF-AWEZNQCLSA-N 0 3 319.405 1.576 50 0 DDAAHN CCOC(=O)[C@@](C)(O)CN1CCC(OCc2ccccc2)CC1 ZINC000095943807 407216255 /nfs/dbraw/zinc/21/62/55/407216255.db2.gz VTXIZXJBBQZFCU-SFHVURJKSA-N 0 3 321.417 1.982 50 0 DDAAHN Cc1ccc2ncc(CNC[C@@H]3COC4(CCOCC4)O3)n2c1 ZINC000095991131 407221642 /nfs/dbraw/zinc/22/16/42/407221642.db2.gz LQPQVCWDVMIKRQ-OAHLLOKOSA-N 0 3 317.389 1.654 50 0 DDAAHN COCCN1CC[C@H](CNc2nccc(-c3ccccn3)n2)C1 ZINC000096139261 407240832 /nfs/dbraw/zinc/24/08/32/407240832.db2.gz PKVZDKVKICWWMJ-CQSZACIVSA-N 0 3 313.405 1.919 50 0 DDAAHN CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3CN(C)C[C@]3(C(=O)[O-])C2)cc1 ZINC000096141164 407240867 /nfs/dbraw/zinc/24/08/67/407240867.db2.gz YLACYMNZZSNXAF-YOEHRIQHSA-N 0 3 317.389 1.093 50 0 DDAAHN CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CN(C)C[C@]3(C(=O)[O-])C2)cc1 ZINC000096141164 407240868 /nfs/dbraw/zinc/24/08/68/407240868.db2.gz YLACYMNZZSNXAF-YOEHRIQHSA-N 0 3 317.389 1.093 50 0 DDAAHN CC1CCN(C[C@H](O)CSc2nnc(N(C)C)s2)CC1 ZINC000096501753 407273567 /nfs/dbraw/zinc/27/35/67/407273567.db2.gz JBCUEMZPCXVVNF-NSHDSACASA-N 0 3 316.496 1.789 50 0 DDAAHN CC1([C@H]2CCCN(Cc3cc(C(N)=O)cs3)C2)OCCO1 ZINC000097108679 407281535 /nfs/dbraw/zinc/28/15/35/407281535.db2.gz KGSWKFJJYFXKMB-LBPRGKRZSA-N 0 3 310.419 1.822 50 0 DDAAHN Cc1nn(CCO)c(C)c1CNC[C@@H](O)c1ccc(Cl)cc1 ZINC000097159797 407284022 /nfs/dbraw/zinc/28/40/22/407284022.db2.gz SGJNPAIMBNUPEN-MRXNPFEDSA-N 0 3 323.824 1.969 50 0 DDAAHN Cc1nn(CCO)c(C)c1CNC[C@H](c1cccs1)N(C)C ZINC000097159790 407284045 /nfs/dbraw/zinc/28/40/45/407284045.db2.gz LOTJJKGXBJDMSW-OAHLLOKOSA-N 0 3 322.478 1.946 50 0 DDAAHN CCC1CCC(C(=O)NCC(=O)NC[C@H]2CCCN(C)C2)CC1 ZINC000067967331 407291985 /nfs/dbraw/zinc/29/19/85/407291985.db2.gz UKNQRFNDZCVZEP-HWOWSKLDSA-N 0 3 323.481 1.777 50 0 DDAAHN O=C(Cc1cccs1)N1CCN(c2ccncc2)C[C@@H](O)C1 ZINC000097446896 407294209 /nfs/dbraw/zinc/29/42/09/407294209.db2.gz KWMLLJSMMFOQAI-CQSZACIVSA-N 0 3 317.414 1.395 50 0 DDAAHN CC(C)c1ncc(C(=O)N2CCC(OCCN(C)C)CC2)cn1 ZINC000097805575 407302892 /nfs/dbraw/zinc/30/28/92/407302892.db2.gz FZWSBFJLPFCJMR-UHFFFAOYSA-N 0 3 320.437 1.783 50 0 DDAAHN COc1cccc([C@@H](C)N2CCN(C(=O)[C@@H](N)C(C)C)CC2)c1 ZINC000195543800 407465278 /nfs/dbraw/zinc/46/52/78/407465278.db2.gz PVSZLOLQVOLVOM-PBHICJAKSA-N 0 3 319.449 1.884 50 0 DDAAHN COC[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1C(N)=O ZINC000257195798 407489905 /nfs/dbraw/zinc/48/99/05/407489905.db2.gz WXRGGTYRZCKUHA-NWDGAFQWSA-N 0 3 316.323 1.885 50 0 DDAAHN CC(C)OC[C@H](O)CN(C)CCSC[C@@H](O)COC(C)C ZINC000253431794 407449115 /nfs/dbraw/zinc/44/91/15/407449115.db2.gz XNPYNMBRABZBKU-CABCVRRESA-N 0 3 323.499 1.223 50 0 DDAAHN CN(C)C(=O)[C@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 ZINC000170621631 407456677 /nfs/dbraw/zinc/45/66/77/407456677.db2.gz VUJZRLCYPZANPV-LHSJRXKWSA-N 0 3 308.447 1.594 50 0 DDAAHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)[C@@H]1CCOC1 ZINC000221873822 407551288 /nfs/dbraw/zinc/55/12/88/407551288.db2.gz HPSKVRUQRCWZDL-RFQIPJPRSA-N 0 3 304.456 1.061 50 0 DDAAHN C[C@@H]1C[C@H](NC(=O)NC2CCC3(CC2)OCCO3)CN1C1CC1 ZINC000128816245 407575853 /nfs/dbraw/zinc/57/58/53/407575853.db2.gz SFASIHSFSHVXJZ-OCCSQVGLSA-N 0 3 323.437 1.597 50 0 DDAAHN COC(=O)[C@H]1CCC[C@H]1NCc1ccc(-n2ccnc2)nc1 ZINC000225397237 407579571 /nfs/dbraw/zinc/57/95/71/407579571.db2.gz WAFSDMXKRFPDPB-UONOGXRCSA-N 0 3 300.362 1.699 50 0 DDAAHN NC(=O)C[C@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000225398833 407581573 /nfs/dbraw/zinc/58/15/73/407581573.db2.gz PTZMOLPYDFXWKU-IUODEOHRSA-N 0 3 301.390 1.527 50 0 DDAAHN CCC(=O)c1cccc(S(=O)(=O)N[C@H](CN)CC(C)C)c1 ZINC000225478288 407590326 /nfs/dbraw/zinc/59/03/26/407590326.db2.gz PAZNRCLLVLRGRO-ZDUSSCGKSA-N 0 3 312.435 1.931 50 0 DDAAHN CCc1ncc(CN2CCC(N3CCN(CC)CC3)CC2)cn1 ZINC000220437702 407542005 /nfs/dbraw/zinc/54/20/05/407542005.db2.gz AVODOJXRXZNXDX-UHFFFAOYSA-N 0 3 317.481 1.641 50 0 DDAAHN CCc1ccc([C@H](CNC(=O)[C@H]2CCCC(=O)N2)N(C)C)cc1 ZINC000225518152 407593153 /nfs/dbraw/zinc/59/31/53/407593153.db2.gz IIKJUSPTRAQJGI-CVEARBPZSA-N 0 3 317.433 1.637 50 0 DDAAHN O[C@H](COC[C@H]1CCCO1)CN1CC[C@H](Nc2ccccc2)C1 ZINC000230182851 407681545 /nfs/dbraw/zinc/68/15/45/407681545.db2.gz UPWXSSKOEWWWSR-OKZBNKHCSA-N 0 3 320.433 1.729 50 0 DDAAHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)NCc1cccs1 ZINC000332302905 410055201 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Cc1cc(C[C@H](C)NC(=O)N2CCN(C3CC3)C[C@H](C)C2)[nH]n1 ZINC000333991283 249172369 /nfs/dbraw/zinc/17/23/69/249172369.db2.gz KGBSKNZIURLROH-STQMWFEESA-N 0 3 319.453 1.775 50 0 DDAAHN NS(=O)(=O)CC1CCN(CCCc2cccc(F)c2)CC1 ZINC000104377025 194003878 /nfs/dbraw/zinc/00/38/78/194003878.db2.gz SFQUFCATHNHGPX-UHFFFAOYSA-N 0 3 314.426 1.759 50 0 DDAAHN C[C@H]1CCCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000106585469 194234486 /nfs/dbraw/zinc/23/44/86/194234486.db2.gz QOHUFLOPFABEAE-DZGCQCFKSA-N 0 3 317.389 1.596 50 0 DDAAHN CCCSc1ncc(CNCCN2CCC(O)CC2)cn1 ZINC000055211416 183971128 /nfs/dbraw/zinc/97/11/28/183971128.db2.gz HOTIKGHROZJSDX-UHFFFAOYSA-N 0 3 310.467 1.525 50 0 DDAAHN CN1CCC[C@@H]1CNC(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000057557128 184042156 /nfs/dbraw/zinc/04/21/56/184042156.db2.gz JYXVPLRIWTUPEX-LLVKDONJSA-N 0 3 319.796 1.745 50 0 DDAAHN CCN1CCC(NC(=O)[C@H]2COc3cc(OC)ccc3C2)CC1 ZINC000058264756 184095997 /nfs/dbraw/zinc/09/59/97/184095997.db2.gz LDLPKVRGRMBLTD-CQSZACIVSA-N 0 3 318.417 1.847 50 0 DDAAHN CCOc1ccccc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000058394260 184112518 /nfs/dbraw/zinc/11/25/18/184112518.db2.gz QBCJFUXOENESQA-ZIAGYGMSSA-N 0 3 304.390 1.678 50 0 DDAAHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc(F)c1 ZINC000060359764 184147211 /nfs/dbraw/zinc/14/72/11/184147211.db2.gz ITXHOGUFFOFYPJ-HNNXBMFYSA-N 0 3 321.396 1.498 50 0 DDAAHN C[C@H](NCCNC(=O)c1ccc(F)cc1)C(=O)NC1CCCC1 ZINC000065423918 184341850 /nfs/dbraw/zinc/34/18/50/184341850.db2.gz IAXYBYIWEHDDGC-LBPRGKRZSA-N 0 3 321.396 1.592 50 0 DDAAHN C[C@@H](CNC(=O)Nc1ccc(-n2cncn2)nc1)N1CCCC1 ZINC000065452447 184346998 /nfs/dbraw/zinc/34/69/98/184346998.db2.gz KUXCCKAHJQWIFA-LBPRGKRZSA-N 0 3 315.381 1.268 50 0 DDAAHN Cc1nnsc1Cn1cnc2sc3c(c2c1=O)CCNC3 ZINC000065461281 184348972 /nfs/dbraw/zinc/34/89/72/184348972.db2.gz OOOXLIGOVXOZRB-UHFFFAOYSA-N 0 3 319.415 1.312 50 0 DDAAHN C[C@H](CN1CCCC1=O)NCc1cn(C)nc1-c1cccnc1 ZINC000065552552 184364830 /nfs/dbraw/zinc/36/48/30/184364830.db2.gz CLVGTTQSFWWYPO-CYBMUJFWSA-N 0 3 313.405 1.583 50 0 DDAAHN COc1cc2c(cc1CNC[C@H]1CN(C)CCO1)O[C@@H](C)C2 ZINC000065611292 184373346 /nfs/dbraw/zinc/37/33/46/184373346.db2.gz NATVBFDLAFDMRR-WFASDCNBSA-N 0 3 306.406 1.439 50 0 DDAAHN COC(=O)CCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000065587359 184369644 /nfs/dbraw/zinc/36/96/44/184369644.db2.gz MDNURRHZYZPQAV-CYBMUJFWSA-N 0 3 306.410 1.747 50 0 DDAAHN CC(=O)NCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000065605093 184371403 /nfs/dbraw/zinc/37/14/03/184371403.db2.gz NYOUKBBILAYIGR-QGZVFWFLSA-N 0 3 317.433 1.684 50 0 DDAAHN Cc1cc(NC(=O)CCN2CCC(c3ccnn3C)CC2)no1 ZINC000069371123 184510096 /nfs/dbraw/zinc/51/00/96/184510096.db2.gz HTYRTFFODCYQBC-UHFFFAOYSA-N 0 3 317.393 1.925 50 0 DDAAHN O=C1CC[C@H]2CN(CCC(F)(F)F)CC[C@H]2N1CCCO ZINC000072474223 296330943 /nfs/dbraw/zinc/33/09/43/296330943.db2.gz WJORAEOQHIDMLT-NWDGAFQWSA-N 0 3 308.344 1.634 50 0 DDAAHN CN(C)CCn1c2ccccc2c(=O)n(-c2ccccc2)c1=O ZINC000071282616 257270274 /nfs/dbraw/zinc/27/02/74/257270274.db2.gz UJXZBOIXZZOQQQ-UHFFFAOYSA-N 0 3 309.369 1.714 50 0 DDAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CNCCCO ZINC000002096026 406682425 /nfs/dbraw/zinc/68/24/25/406682425.db2.gz YVHMDUOTURLDTR-DOTOQJQBSA-N 0 3 317.433 1.101 50 0 DDAAHN CN1CCN(CCCNC(=O)c2cccc3ncccc32)CC1 ZINC000069351727 406700761 /nfs/dbraw/zinc/70/07/61/406700761.db2.gz DSECSFHOEGTSCU-UHFFFAOYSA-N 0 3 312.417 1.602 50 0 DDAAHN NC(=O)COc1cccc(CN2CCC[C@@H]2Cn2cccn2)c1 ZINC000069780177 406772339 /nfs/dbraw/zinc/77/23/39/406772339.db2.gz PYICEHCPUVVIML-OAHLLOKOSA-N 0 3 314.389 1.412 50 0 DDAAHN COCCN(C)CCNC(=O)COc1ccc2ccccc2c1 ZINC000069492532 406721920 /nfs/dbraw/zinc/72/19/20/406721920.db2.gz DZLZRBRVEVNAOV-UHFFFAOYSA-N 0 3 316.401 1.913 50 0 DDAAHN Cc1nc(CN2CCC[C@H](NCc3cnc(C)s3)C2)no1 ZINC000069849085 406781232 /nfs/dbraw/zinc/78/12/32/406781232.db2.gz REVLVFFKPYLKOF-LBPRGKRZSA-N 0 3 307.423 1.897 50 0 DDAAHN Cc1nc(C)n(C[C@@H]2CCCCN2C[C@H](O)Cn2cccn2)n1 ZINC000069875353 406785313 /nfs/dbraw/zinc/78/53/13/406785313.db2.gz YIEJEAZGYRONSG-HOTGVXAUSA-N 0 3 318.425 1.007 50 0 DDAAHN Cc1nc(C)n(C[C@@H]2CCCCN2CCCN2CCCC2=O)n1 ZINC000069901866 406789116 /nfs/dbraw/zinc/78/91/16/406789116.db2.gz LRMQPZAWJHEJGG-INIZCTEOSA-N 0 3 319.453 1.762 50 0 DDAAHN CCNC(=O)[C@@H](C)N[C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000008724588 406793081 /nfs/dbraw/zinc/79/30/81/406793081.db2.gz UAOZCCHYXWDSEA-NWDGAFQWSA-N 0 3 307.394 1.527 50 0 DDAAHN CCNC(=O)[C@H](C)N[C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000008724591 406793112 /nfs/dbraw/zinc/79/31/12/406793112.db2.gz UAOZCCHYXWDSEA-NEPJUHHUSA-N 0 3 307.394 1.527 50 0 DDAAHN COC(=O)CN(C)C(=O)CCN(C)Cc1ccc(Cl)cc1 ZINC000069972250 406799468 /nfs/dbraw/zinc/79/94/68/406799468.db2.gz RHIOEGQKRBNZDR-UHFFFAOYSA-N 0 3 312.797 1.793 50 0 DDAAHN Cc1ccc(F)cc1CNC[C@]1(O)CCCN(CC2CC2)C1=O ZINC000011934620 406832995 /nfs/dbraw/zinc/83/29/95/406832995.db2.gz AVGAWEHVFSPUPZ-GOSISDBHSA-N 0 3 320.408 1.987 50 0 DDAAHN CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)o1 ZINC000071870444 406856683 /nfs/dbraw/zinc/85/66/83/406856683.db2.gz BXLLFGDQJALSAT-GJZGRUSLSA-N 0 3 319.405 1.615 50 0 DDAAHN COc1cc(CNC[C@H]2CN(C3CC3)CCO2)cc(OC)c1 ZINC000071880863 406861410 /nfs/dbraw/zinc/86/14/10/406861410.db2.gz ALBNYBDRCXLONC-KRWDZBQOSA-N 0 3 306.406 1.657 50 0 DDAAHN CCC(CO)(CO)NC[C@@H](O)COc1ccccc1C(C)C ZINC000014230140 406874259 /nfs/dbraw/zinc/87/42/59/406874259.db2.gz GTVDKTALJWWNHC-CQSZACIVSA-N 0 3 311.422 1.273 50 0 DDAAHN O=C([O-])[C@@H]1CC2(CN1Cc1nc3ccccc3[nH]1)CC[NH2+]CC2 ZINC000072151916 406875023 /nfs/dbraw/zinc/87/50/23/406875023.db2.gz NJRHTCOETAVQMW-AWEZNQCLSA-N 0 3 314.389 1.592 50 0 DDAAHN CC[C@@H]1CN(c2nc(C)cc(N(C)C)n2)CCN1C[C@@H](C)O ZINC000072276335 406876987 /nfs/dbraw/zinc/87/69/87/406876987.db2.gz YRPCXCIUJZBLCR-ZIAGYGMSSA-N 0 3 307.442 1.132 50 0 DDAAHN COCCN1CC[C@H](NC(=O)Nc2c(C)nn(C(C)C)c2C)C1 ZINC000072271492 406877658 /nfs/dbraw/zinc/87/76/58/406877658.db2.gz OJXGJGSQFGVINO-AWEZNQCLSA-N 0 3 323.441 1.923 50 0 DDAAHN O=S(=O)(NC1CCCCC1)c1ccc(N2CCNCC2)cc1 ZINC000020397965 406887945 /nfs/dbraw/zinc/88/79/45/406887945.db2.gz VLYMRMYOLJPOBD-UHFFFAOYSA-N 0 3 323.462 1.707 50 0 DDAAHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccncc1 ZINC000028727068 406918822 /nfs/dbraw/zinc/91/88/22/406918822.db2.gz MJUJQUWZJXJRJR-ZDUSSCGKSA-N 0 3 319.430 1.965 50 0 DDAAHN CCOC(=O)c1c(C)[nH]c(CCC(=O)NCCN(C)C)c1C ZINC000075352793 406930866 /nfs/dbraw/zinc/93/08/66/406930866.db2.gz ONJIBUCWPGTBLV-UHFFFAOYSA-N 0 3 309.410 1.419 50 0 DDAAHN O[C@H](CN(Cc1ccc(F)cc1)C1CC1)CN1CCOCC1 ZINC000044871060 407031171 /nfs/dbraw/zinc/03/11/71/407031171.db2.gz UCRXEUMELYFUSU-KRWDZBQOSA-N 0 3 308.397 1.483 50 0 DDAAHN C[C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)n1cncn1 ZINC000045196088 407040668 /nfs/dbraw/zinc/04/06/68/407040668.db2.gz XGVPJTZSRXIUNF-GDBMZVCRSA-N 0 3 313.405 1.792 50 0 DDAAHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2ccco2)CC1 ZINC000085468079 407102548 /nfs/dbraw/zinc/10/25/48/407102548.db2.gz IPXMAYWLNQAHMZ-AWEZNQCLSA-N 0 3 305.422 1.768 50 0 DDAAHN CC(C(=O)NC1CC1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000046094697 407054463 /nfs/dbraw/zinc/05/44/63/407054463.db2.gz AOBSNGLGUGYTFY-SECBINFHSA-N 0 3 301.795 1.922 50 0 DDAAHN CN1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000047886448 407083211 /nfs/dbraw/zinc/08/32/11/407083211.db2.gz FVKCPOPNWSORBP-HNNXBMFYSA-N 0 3 316.449 1.906 50 0 DDAAHN COCCN1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 ZINC000089414207 407133297 /nfs/dbraw/zinc/13/32/97/407133297.db2.gz BQDYLPLEHRVFPH-LSDHHAIUSA-N 0 3 306.406 1.858 50 0 DDAAHN C/C=C/CC(=O)N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1 ZINC000091693664 407182897 /nfs/dbraw/zinc/18/28/97/407182897.db2.gz ZBPUHFGPQGJOHB-SHCNBLLESA-N 0 3 321.465 1.745 50 0 DDAAHN CCOc1ccccc1NC(=O)CC(=O)N(C)[C@@H]1CCN(C)C1 ZINC000055166554 407197061 /nfs/dbraw/zinc/19/70/61/407197061.db2.gz CALVKDNBAHCMHP-CYBMUJFWSA-N 0 3 319.405 1.576 50 0 DDAAHN CCOc1cccc(CN(CCO)C(=O)[C@@H](C)N2CCCC2)c1 ZINC000055242486 407198539 /nfs/dbraw/zinc/19/85/39/407198539.db2.gz HHWLDGVYHMKTRS-OAHLLOKOSA-N 0 3 320.433 1.891 50 0 DDAAHN Cc1nc(CCNC(=O)CC2CC[NH+](C(C)C)CC2)cc(=O)[n-]1 ZINC000095361550 407209207 /nfs/dbraw/zinc/20/92/07/407209207.db2.gz CMKFSDICAOICOJ-UHFFFAOYSA-N 0 3 320.437 1.248 50 0 DDAAHN CCO[C@H]1CN(C)C[C@@H]1NCc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000095362775 407209364 /nfs/dbraw/zinc/20/93/64/407209364.db2.gz RAFNCIUJJVZUFS-RDJZCZTQSA-N 0 3 319.380 1.476 50 0 DDAAHN COC(=O)[C@H]1CC(=O)N([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000095919658 407214949 /nfs/dbraw/zinc/21/49/49/407214949.db2.gz DRUJCAWXFFYOAX-GJZGRUSLSA-N 0 3 302.374 1.282 50 0 DDAAHN Cc1nn(C)c(C)c1CN[C@@H]1CCN(c2ncccc2F)C1 ZINC000095990141 407221828 /nfs/dbraw/zinc/22/18/28/407221828.db2.gz VYSZDPBYMOIBOU-CYBMUJFWSA-N 0 3 303.385 1.940 50 0 DDAAHN O=C(NCCN1CCC[C@H](CO)C1)Nc1ccc(Cl)nc1 ZINC000096152467 407241043 /nfs/dbraw/zinc/24/10/43/407241043.db2.gz OVLQYAVWMSTPLP-NSHDSACASA-N 0 3 312.801 1.561 50 0 DDAAHN Cc1nn(C)c(N(C)C)c1CNC[C@H](C)CN1CCCC1=O ZINC000065474704 407243013 /nfs/dbraw/zinc/24/30/13/407243013.db2.gz KGHCPKGTIZRVBE-LBPRGKRZSA-N 0 3 307.442 1.143 50 0 DDAAHN CCc1ncc(NC(=O)N2CCC(N3CC=CC3)CC2)cn1 ZINC000102317060 407321617 /nfs/dbraw/zinc/32/16/17/407321617.db2.gz QIXHULYXEXNCDW-UHFFFAOYSA-N 0 3 301.394 1.907 50 0 DDAAHN CN(C)Cc1c2ccccc2oc1C(=O)NN1CCOCC1 ZINC000096435944 407266127 /nfs/dbraw/zinc/26/61/27/407266127.db2.gz KWNRZRFGSRCTFU-UHFFFAOYSA-N 0 3 303.362 1.471 50 0 DDAAHN COc1ccnc(N2CC[C@H](OCCN3CCCCC3)C2)n1 ZINC000096484305 407271793 /nfs/dbraw/zinc/27/17/93/407271793.db2.gz WLOQVEQYYPLXKA-AWEZNQCLSA-N 0 3 306.410 1.566 50 0 DDAAHN Cc1nc(NCCNC(=O)C(C)(C)C)cc(N2CCCC2)n1 ZINC000067604061 407277220 /nfs/dbraw/zinc/27/72/20/407277220.db2.gz UAQQJLKTVZEYTI-UHFFFAOYSA-N 0 3 305.426 1.959 50 0 DDAAHN Cc1nc2ccc(F)cc2c(N2CCN(CC(N)=O)CC2)c1C ZINC000097144377 407282902 /nfs/dbraw/zinc/28/29/02/407282902.db2.gz GBBAVIVZGUJOPL-UHFFFAOYSA-N 0 3 316.380 1.598 50 0 DDAAHN Cc1cc(C)nc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000097142882 407283135 /nfs/dbraw/zinc/28/31/35/407283135.db2.gz RXLVHVAAFHMEMG-CQSZACIVSA-N 0 3 319.453 1.703 50 0 DDAAHN Cc1ccccc1[C@@H](CNC(=O)CN1CCCCC1=O)N(C)C ZINC000097475524 407298883 /nfs/dbraw/zinc/29/88/83/407298883.db2.gz IKJKNLYCXQIZAT-MRXNPFEDSA-N 0 3 317.433 1.726 50 0 DDAAHN CN(C)Cc1cccc(C(=O)NCCN2CCCC[C@@H]2CO)c1 ZINC000097674092 407300981 /nfs/dbraw/zinc/30/09/81/407300981.db2.gz IYYISURFLLHPNG-QGZVFWFLSA-N 0 3 319.449 1.325 50 0 DDAAHN CCN1CCC[C@@H](NC(=O)N2CCC(CC(=O)NC)CC2)C1 ZINC000174195444 407920247 /nfs/dbraw/zinc/92/02/47/407920247.db2.gz RGJJVLJZYWILBF-CQSZACIVSA-N 0 3 310.442 1.028 50 0 DDAAHN CCCCc1ccc(NC(=O)CCN2CC[C@H](O)[C@@H](O)C2)cc1 ZINC000244873292 407942651 /nfs/dbraw/zinc/94/26/51/407942651.db2.gz WNKPGVVQTGKJGT-IRXDYDNUSA-N 0 3 320.433 1.785 50 0 DDAAHN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)[C@@H](N)C(C)C)C1 ZINC000182683916 408222161 /nfs/dbraw/zinc/22/21/61/408222161.db2.gz BJCMESHFFFFEKG-OAGGEKHMSA-N 0 3 318.417 1.775 50 0 DDAAHN CCN1CCC[C@@H]1CNC(=S)N1CCO[C@H]2CCCC[C@H]21 ZINC000252486049 408796351 /nfs/dbraw/zinc/79/63/51/408796351.db2.gz 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/nfs/dbraw/zinc/45/08/17/418450817.db2.gz JASJTDHCDIGXIX-STQMWFEESA-N 0 3 306.454 1.674 50 0 DDAAHN CCCCN(CCCN1C(=O)c2ccccc2C1=O)CC(N)=O ZINC000048048620 418464313 /nfs/dbraw/zinc/46/43/13/418464313.db2.gz OAVIAXICQWXOHI-UHFFFAOYSA-N 0 3 317.389 1.260 50 0 DDAAHN CCCCN1CCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 ZINC000426550402 419504949 /nfs/dbraw/zinc/50/49/49/419504949.db2.gz JSAZMWPGEUZUDV-ZDUSSCGKSA-N 0 3 305.426 1.485 50 0 DDAAHN O=C(NC[C@@H](O)CN1CCCC1)c1conc1-c1ccccc1 ZINC000426555771 419506279 /nfs/dbraw/zinc/50/62/79/419506279.db2.gz AZMTYAUPHVHLGV-CQSZACIVSA-N 0 3 315.373 1.528 50 0 DDAAHN CC(C)[C@H](CNC(=O)OC(C)(C)C)CN(C)[C@@H]1COC[C@H]1O ZINC000495961891 421105534 /nfs/dbraw/zinc/10/55/34/421105534.db2.gz NNZRFLBLFDXCFL-MGPQQGTHSA-N 0 3 316.442 1.475 50 0 DDAAHN C[C@@H](CNC(=O)c1nc2ccccc2[nH]1)CN1CCN(C)CC1 ZINC000069975690 278282442 /nfs/dbraw/zinc/28/24/42/278282442.db2.gz HLFZQDHPIRWUOB-ZDUSSCGKSA-N 0 3 315.421 1.176 50 0 DDAAHN C[C@@H]1CN(c2ccccc2CN[C@H]2CC(=O)N(C)C2)C[C@H](C)O1 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PTAFGHZPMBJKJK-UHFFFAOYSA-N 0 3 303.362 1.571 50 0 DDAAHN Cc1cnn(CCNC[C@H](O)c2ccc3c(c2)OCCO3)c1 ZINC000071872133 406858381 /nfs/dbraw/zinc/85/83/81/406858381.db2.gz ZVLORNPOMVBMSX-AWEZNQCLSA-N 0 3 303.362 1.286 50 0 DDAAHN Cc1cc(NC(=O)CCN2CCC[C@H]2Cn2cccn2)no1 ZINC000071875465 406858651 /nfs/dbraw/zinc/85/86/51/406858651.db2.gz YFYYRXXUHUUDHB-ZDUSSCGKSA-N 0 3 303.366 1.673 50 0 DDAAHN Cc1ccc(F)cc1NC(=O)N1CCO[C@@]2(C1)CNCCOC2 ZINC000072144444 406874076 /nfs/dbraw/zinc/87/40/76/406874076.db2.gz JHTUKBSMYFNHNY-MRXNPFEDSA-N 0 3 323.368 1.357 50 0 DDAAHN COc1ccc(C[C@H](C)N[C@H]2CCCCNC2=O)cc1OC ZINC000012383595 406844131 /nfs/dbraw/zinc/84/41/31/406844131.db2.gz XKHRVMPOWQWFPM-JSGCOSHPSA-N 0 3 306.406 1.893 50 0 DDAAHN C/C=C/c1ccc(OC[C@H](O)CN2CCC(O)CC2)c(OC)c1 ZINC000032758548 406952740 /nfs/dbraw/zinc/95/27/40/406952740.db2.gz SFFPSBPGLGJTND-QDLOVBKTSA-N 0 3 321.417 1.925 50 0 DDAAHN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)S(C)(=O)=O ZINC000076068228 406954150 /nfs/dbraw/zinc/95/41/50/406954150.db2.gz CXDVONBTGIMKNN-BXUZGUMPSA-N 0 3 315.410 1.942 50 0 DDAAHN C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)n1cncn1 ZINC000044908817 286776828 /nfs/dbraw/zinc/77/68/28/286776828.db2.gz IJUGAWXHZYEAON-QWHCGFSZSA-N 0 3 319.434 1.854 50 0 DDAAHN O[C@]1(CNC2c3ccccc3-c3ccccc32)CNCCOC1 ZINC000077393640 406988950 /nfs/dbraw/zinc/98/89/50/406988950.db2.gz BVSPSWNJNWRGJY-IBGZPJMESA-N 0 3 310.397 1.697 50 0 DDAAHN CC(C(=O)N1C[C@H](C)C[C@H](C)C1)S(=O)(=O)c1nccs1 ZINC000049103220 407115735 /nfs/dbraw/zinc/11/57/35/407115735.db2.gz USOHIVDURPMIHW-OUAUKWLOSA-N 0 3 316.448 1.810 50 0 DDAAHN O=C(CCN1CCC2(CC1)OCCO2)Nc1cccc(F)c1 ZINC000046511746 407061040 /nfs/dbraw/zinc/06/10/40/407061040.db2.gz CUGOLQXEWKQPLI-UHFFFAOYSA-N 0 3 308.353 1.993 50 0 DDAAHN COCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000080660832 407072801 /nfs/dbraw/zinc/07/28/01/407072801.db2.gz FCKQVWJOAVQAJE-HNNXBMFYSA-N 0 3 305.422 1.939 50 0 DDAAHN O=C(NCCc1cccc(O)c1)N1CC[C@H](N2CCCC2)C1 ZINC000089780623 407147945 /nfs/dbraw/zinc/14/79/45/407147945.db2.gz JJLVJMAHIGVXGM-HNNXBMFYSA-N 0 3 303.406 1.814 50 0 DDAAHN O=C1CNC(=O)N1CCN1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000089827786 407152562 /nfs/dbraw/zinc/15/25/62/407152562.db2.gz QZKJDCFNRIBIOR-MAUKXSAKSA-N 0 3 313.401 1.940 50 0 DDAAHN C[C@H]1CCCN(CCNC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000053050031 407161991 /nfs/dbraw/zinc/16/19/91/407161991.db2.gz IBIBAFMNQLTHDA-JTQLQIEISA-N 0 3 318.343 1.901 50 0 DDAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000095360311 407209203 /nfs/dbraw/zinc/20/92/03/407209203.db2.gz VQSYOENUQQKOFB-OAHLLOKOSA-N 0 3 319.453 1.840 50 0 DDAAHN Nc1ncccc1CN1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095370196 407210115 /nfs/dbraw/zinc/21/01/15/407210115.db2.gz DQXHJFJKDVLKLB-CRAIPNDOSA-N 0 3 311.385 1.634 50 0 DDAAHN CC(C)S(=O)(=O)NC[C@@H]1CCCN([C@@H]2CCCC[C@@H]2O)C1 ZINC000095442038 407213887 /nfs/dbraw/zinc/21/38/87/407213887.db2.gz DRBTWDWTAPXRON-ZNMIVQPWSA-N 0 3 318.483 1.330 50 0 DDAAHN CC(C)CSCCN1CCC[C@H]1C(=O)N1CCOCC1 ZINC000095976125 407219375 /nfs/dbraw/zinc/21/93/75/407219375.db2.gz TZCHHNYDWCHTTC-AWEZNQCLSA-N 0 3 300.468 1.699 50 0 DDAAHN CN(C)c1nccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000095988216 407220781 /nfs/dbraw/zinc/22/07/81/407220781.db2.gz USQQSZGHATTZOW-KFWWJZLASA-N 0 3 302.422 1.980 50 0 DDAAHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](O)C1 ZINC000095987667 407221172 /nfs/dbraw/zinc/22/11/72/407221172.db2.gz AXNJQOUMGXUGDM-HOCLYGCPSA-N 0 3 305.422 1.673 50 0 DDAAHN COc1ccc(N2C(=O)C[C@H](SC3=NCCN3)C2=O)cc1 ZINC000102407614 407322792 /nfs/dbraw/zinc/32/27/92/407322792.db2.gz NRYVMRGNZYPPSX-NSHDSACASA-N 0 3 305.359 1.020 50 0 DDAAHN Cc1cc(NC(=O)CCN2CCC(Cn3ccnn3)CC2)no1 ZINC000096483880 407271752 /nfs/dbraw/zinc/27/17/52/407271752.db2.gz YEMALFPGRRUUAH-UHFFFAOYSA-N 0 3 318.381 1.315 50 0 DDAAHN Nc1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3F)C2)[nH]n1 ZINC000067432917 407273694 /nfs/dbraw/zinc/27/36/94/407273694.db2.gz VHVMMOUIOWPONL-NSHDSACASA-N 0 3 317.368 1.383 50 0 DDAAHN CC[C@@H](O)CNC(=O)c1cnn2cc(CN(CC)CC)cnc12 ZINC000067490844 407274992 /nfs/dbraw/zinc/27/49/92/407274992.db2.gz URHAQVINXXMTQX-CYBMUJFWSA-N 0 3 319.409 1.072 50 0 DDAAHN O=C(c1ccccc1F)N1CCC(NCc2ncc[nH]2)CC1 ZINC000067667950 407279513 /nfs/dbraw/zinc/27/95/13/407279513.db2.gz STURLVJYIGKZDP-UHFFFAOYSA-N 0 3 302.353 1.943 50 0 DDAAHN Cc1cccc(=O)n1CCC(=O)N1CC(N2CCCC[C@@H]2C)C1 ZINC000097217527 407288669 /nfs/dbraw/zinc/28/86/69/407288669.db2.gz IGTOIAHHKBCWRZ-AWEZNQCLSA-N 0 3 317.433 1.632 50 0 DDAAHN O=C(CNC1(Cc2ccccc2)CCCC1)N1CCNC(=O)C1 ZINC000097374715 407292481 /nfs/dbraw/zinc/29/24/81/407292481.db2.gz RGJAJFAAHSSCPJ-UHFFFAOYSA-N 0 3 315.417 1.090 50 0 DDAAHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@@H](O)Cn1cccn1 ZINC000106844591 407362663 /nfs/dbraw/zinc/36/26/63/407362663.db2.gz RZSHARZMVPDYGA-HUUCEWRRSA-N 0 3 303.410 1.431 50 0 DDAAHN CCN(CC)S(=O)(=O)CCN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000195550608 407465821 /nfs/dbraw/zinc/46/58/21/407465821.db2.gz FSMLEBDOWIJMLP-XQQFMLRXSA-N 0 3 304.456 1.061 50 0 DDAAHN CC(C)[C@H](N)C(=O)N(C)CCN1CCN(c2ccccc2)CC1 ZINC000170678185 407474277 /nfs/dbraw/zinc/47/42/77/407474277.db2.gz KLRKWCHXHOIXKQ-KRWDZBQOSA-N 0 3 318.465 1.250 50 0 DDAAHN Cn1cc(CN2CCOCCNC(=O)CC2)c2ccccc21 ZINC000257188783 407484192 /nfs/dbraw/zinc/48/41/92/407484192.db2.gz NDBCFNQDPGLXJX-UHFFFAOYSA-N 0 3 301.390 1.517 50 0 DDAAHN COCCN1CC[C@@H](CN(C)C(=O)c2cnc(SC)nc2)C1 ZINC000222426739 407556809 /nfs/dbraw/zinc/55/68/09/407556809.db2.gz HIOLOPCEARWDME-LBPRGKRZSA-N 0 3 324.450 1.239 50 0 DDAAHN CCC(=O)N1CC[C@H](N[C@@H](C(N)=O)c2ccccc2)[C@@H](C)C1 ZINC000229307732 407657675 /nfs/dbraw/zinc/65/76/75/407657675.db2.gz JPSYHRJDANVJGC-DUVNUKRYSA-N 0 3 303.406 1.450 50 0 DDAAHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C)C(=O)N1CCCC1 ZINC000229561241 407665758 /nfs/dbraw/zinc/66/57/58/407665758.db2.gz SCMZOMMVVYTQSI-NUEKZKHPSA-N 0 3 307.438 1.473 50 0 DDAAHN N[C@@H](Cc1ccccc1)C(=O)N1CCC(c2ccncn2)CC1 ZINC000244574912 407926354 /nfs/dbraw/zinc/92/63/54/407926354.db2.gz CTIKQHGYILOHKZ-INIZCTEOSA-N 0 3 310.401 1.753 50 0 DDAAHN Cc1ccc2c(CN(C[C@H](C)O)[C@@H](C)CO)cc(=O)oc2c1C ZINC000190869125 408333886 /nfs/dbraw/zinc/33/38/86/408333886.db2.gz VDMMSTAEJDBDIY-STQMWFEESA-N 0 3 319.401 1.973 50 0 DDAAHN CCc1n[nH]c(=O)c(CNC(=O)[C@H]2CCCCN2CC)c1CC ZINC000159012858 408376442 /nfs/dbraw/zinc/37/64/42/408376442.db2.gz BMOUBEATMUVRDL-OAHLLOKOSA-N 0 3 320.437 1.385 50 0 DDAAHN CN(C)C[C@@H](NC(=O)CN1CCCC1=O)c1ccc(Cl)cc1 ZINC000252490263 408798419 /nfs/dbraw/zinc/79/84/19/408798419.db2.gz KNHWPHIDVNKWGA-CQSZACIVSA-N 0 3 323.824 1.681 50 0 DDAAHN CN1CCC(Oc2ccc(CNC(=O)NCCF)cc2)CC1 ZINC000252510318 408801503 /nfs/dbraw/zinc/80/15/03/408801503.db2.gz ZHGOJLWDOQNKCX-UHFFFAOYSA-N 0 3 309.385 1.928 50 0 DDAAHN COc1ccc(-n2c(O)c3onc(-c4cccnc4)c3c2O)cc1 ZINC000101358925 418493814 /nfs/dbraw/zinc/49/38/14/418493814.db2.gz GWYALUDMANGAQH-ZFWWWQNUSA-N 0 3 323.308 1.383 50 0 DDAAHN CC1CCN(C[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000102684550 418495601 /nfs/dbraw/zinc/49/56/01/418495601.db2.gz DYHJWGGTSIULJN-KKUMJFAQSA-N 0 3 306.406 1.030 50 0 DDAAHN CC1CCC(O)(CN2CC[C@@H](S(=O)(=O)NC3CC3)C2)CC1 ZINC000120587558 418503845 /nfs/dbraw/zinc/50/38/45/418503845.db2.gz MUFAAMAVMQJLDA-HNFVBEJKSA-N 0 3 316.467 1.084 50 0 DDAAHN CCOCCN1CCN(CCC(=O)NC2CCCC2)C[C@H]1C ZINC000241774167 222211448 /nfs/dbraw/zinc/21/14/48/222211448.db2.gz RNQGUDIBNPDGNB-OAHLLOKOSA-N 0 3 311.470 1.478 50 0 DDAAHN COc1ccc2c(c1)C=C(CN1C[C@@H]3NCCO[C@H]3C1)CO2 ZINC000426408895 419459551 /nfs/dbraw/zinc/45/95/51/419459551.db2.gz FTYDBFCZTWAIJQ-RDJZCZTQSA-N 0 3 302.374 1.144 50 0 DDAAHN CC[N@@H+]1CCC[C@@](C)(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000426534424 419501692 /nfs/dbraw/zinc/50/16/92/419501692.db2.gz HKXHOEWXFIEHOP-GFCCVEGCSA-N 0 3 319.331 1.562 50 0 DDAAHN CC[N@H+]1CCC[C@@](C)(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000426534424 419501699 /nfs/dbraw/zinc/50/16/99/419501699.db2.gz HKXHOEWXFIEHOP-GFCCVEGCSA-N 0 3 319.331 1.562 50 0 DDAAHN CC[N@@H+]1CCC[C@@](C)(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000426534424 419501701 /nfs/dbraw/zinc/50/17/01/419501701.db2.gz HKXHOEWXFIEHOP-GFCCVEGCSA-N 0 3 319.331 1.562 50 0 DDAAHN CC[N@H+]1CCC[C@@](C)(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000426534424 419501704 /nfs/dbraw/zinc/50/17/04/419501704.db2.gz HKXHOEWXFIEHOP-GFCCVEGCSA-N 0 3 319.331 1.562 50 0 DDAAHN CC[C@H](C)[C@@H](N)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000423759473 420165918 /nfs/dbraw/zinc/16/59/18/420165918.db2.gz HVSZEPBLTQHSCZ-IMTBSYHQSA-N 0 3 302.172 1.449 50 0 DDAAHN CCOCCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](N(C)C)C1 ZINC000095519980 276452764 /nfs/dbraw/zinc/45/27/64/276452764.db2.gz XCIUBCDGSQTVCH-DLBZAZTESA-N 0 3 320.433 1.978 50 0 DDAAHN COc1nc2c(cc1C(=O)N[C@H]1Cc3ccccc3[C@@H]1N)CCC2 ZINC000091973737 278086743 /nfs/dbraw/zinc/08/67/43/278086743.db2.gz NIYGJMZZEODGJG-IRXDYDNUSA-N 0 3 323.396 1.933 50 0 DDAAHN NC(=O)c1ccc(CN2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1 ZINC000106180110 295179823 /nfs/dbraw/zinc/17/98/23/295179823.db2.gz PSELJUXINLIIPE-ILXRZTDVSA-N 0 3 301.390 1.404 50 0 DDAAHN C[C@@H](CNC(=O)N(C)Cc1[nH]nc2c1CCCCC2)N(C)C ZINC000534634263 334308651 /nfs/dbraw/zinc/30/86/51/334308651.db2.gz DJBYUJPWYNPHOH-LBPRGKRZSA-N 0 3 307.442 1.770 50 0 DDAAHN CCN(C)C1(CNC(=O)c2cn(C)c(C)cc2=O)CCCC1 ZINC000534636941 334309548 /nfs/dbraw/zinc/30/95/48/334309548.db2.gz ONMJPORFAPUZSD-UHFFFAOYSA-N 0 3 305.422 1.688 50 0 DDAAHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000534648669 334316747 /nfs/dbraw/zinc/31/67/47/334316747.db2.gz RXZMWWVEEQPTIV-ZDUSSCGKSA-N 0 3 316.365 1.187 50 0 DDAAHN O=C(NCCN1CCCC[C@@H]1CO)c1ccc2[nH]ccc2c1 ZINC000670467833 484846821 /nfs/dbraw/zinc/84/68/21/484846821.db2.gz HFAWQGNUSKBOQD-OAHLLOKOSA-N 0 3 301.390 1.745 50 0 DDAAHN Cc1nccn1[C@@H](C)CN1CCN(c2nc(C)cnc2C)CC1 ZINC000020858681 696071440 /nfs/dbraw/zinc/07/14/40/696071440.db2.gz QNXAZNPJLXCCRU-AWEZNQCLSA-N 0 3 314.437 1.982 50 0 DDAAHN COc1ccc2c(C)nc(N3C[C@H](O)[C@@H](N(C)C)C3)nc2c1 ZINC000067771038 696364184 /nfs/dbraw/zinc/36/41/84/696364184.db2.gz FZQMDMVGVPMLMZ-GJZGRUSLSA-N 0 3 302.378 1.058 50 0 DDAAHN C[NH+](C)CC(C)(C)CNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000104934135 696621513 /nfs/dbraw/zinc/62/15/13/696621513.db2.gz VMHNPMPEHZPBEP-ZROIWOOFSA-N 0 3 301.390 1.475 50 0 DDAAHN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cnn2ccccc12 ZINC000952884103 775646201 /nfs/dbraw/zinc/64/62/01/775646201.db2.gz XRLWTBVALATMDD-ZDUSSCGKSA-N 0 3 322.434 1.439 50 0 DDAAHN Cc1cc(CNC2CCN(c3nc(C)cc(C)n3)CC2)n(C)n1 ZINC000095500760 185374803 /nfs/dbraw/zinc/37/48/03/185374803.db2.gz WKXBKUNXPJBRQL-UHFFFAOYSA-N 0 3 314.437 1.894 50 0 DDAAHN C[C@@H](CCc1nc(-c2cccnn2)no1)N1CCN(C)CC1 ZINC000095501574 185375187 /nfs/dbraw/zinc/37/51/87/185375187.db2.gz DBYVXFRZMWGQJY-LBPRGKRZSA-N 0 3 302.382 1.095 50 0 DDAAHN CN(C)C(=O)c1ccc(CN2CC3(CC2=O)CCN(C)CC3)o1 ZINC000095507778 185375677 /nfs/dbraw/zinc/37/56/77/185375677.db2.gz LCFVEYCAAIWMRM-UHFFFAOYSA-N 0 3 319.405 1.426 50 0 DDAAHN Cc1nccn1CCCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000078953138 185135325 /nfs/dbraw/zinc/13/53/25/185135325.db2.gz YLINVYCXCJOBBK-OAHLLOKOSA-N 0 3 307.442 1.707 50 0 DDAAHN Cc1nc(CN(C)[C@H]2CCN(CCc3ccccn3)C2)no1 ZINC000095402243 185354546 /nfs/dbraw/zinc/35/45/46/185354546.db2.gz BQBZDQJFLVYTAF-HNNXBMFYSA-N 0 3 301.394 1.522 50 0 DDAAHN C[C@@H](NC1CCOCC1)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000097016731 185397513 /nfs/dbraw/zinc/39/75/13/185397513.db2.gz VWYCOXLUKNYXBZ-GFCCVEGCSA-N 0 3 315.377 1.363 50 0 DDAAHN CN1CCO[C@H](CNCc2cc(Br)cs2)C1 ZINC000069698946 190805048 /nfs/dbraw/zinc/80/50/48/190805048.db2.gz FOIKVOXKBLBYGG-SNVBAGLBSA-N 0 3 305.241 1.931 50 0 DDAAHN CC(C)[C@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1ccon1)C2 ZINC000685942146 539566752 /nfs/dbraw/zinc/56/67/52/539566752.db2.gz NRYPXTUPNNRFCG-SRABZTEZSA-N 0 3 321.421 1.203 50 0 DDAAHN CC(C)[C@H]1CN(CCO)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071764359 191027534 /nfs/dbraw/zinc/02/75/34/191027534.db2.gz CJMIEADWOWGJJU-MRXNPFEDSA-N 0 3 308.397 1.877 50 0 DDAAHN CN1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000072123810 191041978 /nfs/dbraw/zinc/04/19/78/191041978.db2.gz YRMUTIANAOXWFK-UHFFFAOYSA-N 0 3 305.397 1.816 50 0 DDAAHN CN(CCc1ccccc1)CCn1cnc2cn(C)nc2c1=O ZINC000072162082 191062526 /nfs/dbraw/zinc/06/25/26/191062526.db2.gz LTEZVQNGVDBKCB-UHFFFAOYSA-N 0 3 311.389 1.305 50 0 DDAAHN C[C@@H](Cn1cccn1)NC[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000072273096 191095593 /nfs/dbraw/zinc/09/55/93/191095593.db2.gz BITYSZRWZHESTJ-GXTWGEPZSA-N 0 3 303.362 1.366 50 0 DDAAHN CCN1CCC[C@H]1CNc1c2c(nc3ncnn31)CCCC2 ZINC000022330431 352177927 /nfs/dbraw/zinc/17/79/27/352177927.db2.gz BHVQNXUPQUDAHM-LBPRGKRZSA-N 0 3 300.410 1.899 50 0 DDAAHN CCc1cc(NCCN2CCC(O)CC2)n2nc(C)c(C)c2n1 ZINC000072431430 191163669 /nfs/dbraw/zinc/16/36/69/191163669.db2.gz UFKGUKMZFTZZGT-UHFFFAOYSA-N 0 3 317.437 1.777 50 0 DDAAHN CCc1cc(N[C@H]2CN(C(C)C)C[C@@H]2O)n2nc(C)c(C)c2n1 ZINC000072435990 191165590 /nfs/dbraw/zinc/16/55/90/191165590.db2.gz UQSZPXOOZCRAMH-GJZGRUSLSA-N 0 3 317.437 1.774 50 0 DDAAHN C[C@H](c1cccnc1)N1CCC[C@H]([C@@]2(C)NC(=O)N(C)C2=O)C1 ZINC000089910015 353782084 /nfs/dbraw/zinc/78/20/84/353782084.db2.gz YENIODIGEGUDNM-HACGYAERSA-N 0 3 316.405 1.795 50 0 DDAAHN CC(=O)N1CCN([C@@H]2CN([C@H](C)c3cccnc3)C[C@@H]2C)CC1 ZINC000257366147 354389468 /nfs/dbraw/zinc/38/94/68/354389468.db2.gz LGHPLNQCOXQVTO-HDMKZQKVSA-N 0 3 316.449 1.627 50 0 DDAAHN Cc1cc([C@@H]2CCCN(C[C@@H](O)COC[C@H]3CCCO3)C2)n[nH]1 ZINC000299754160 354457120 /nfs/dbraw/zinc/45/71/20/354457120.db2.gz ISLMSSGJAJEFAJ-BZUAXINKSA-N 0 3 323.437 1.454 50 0 DDAAHN Cc1cc([C@@H]2CCCN(C[C@@H](O)COC[C@H]3CCCO3)C2)[nH]n1 ZINC000299754160 354457123 /nfs/dbraw/zinc/45/71/23/354457123.db2.gz ISLMSSGJAJEFAJ-BZUAXINKSA-N 0 3 323.437 1.454 50 0 DDAAHN O=C(CN1CCCCCC1)N1CC[C@@](O)(c2ccccc2)C1 ZINC000584890056 354792275 /nfs/dbraw/zinc/79/22/75/354792275.db2.gz BNSNVYJEXGTZRK-SFHVURJKSA-N 0 3 302.418 1.983 50 0 DDAAHN CCn1c(=O)cc(OCC(=O)NCCN(C)C)c2ccccc21 ZINC000005067090 181199912 /nfs/dbraw/zinc/19/99/12/181199912.db2.gz XVTALZAOXPKTLM-UHFFFAOYSA-N 0 3 317.389 1.078 50 0 DDAAHN COc1ccc(-c2cc(C(=O)NC[C@@H]3C[C@H](F)CN3)[nH]n2)cc1 ZINC000091616594 193079933 /nfs/dbraw/zinc/07/99/33/193079933.db2.gz SXXIVRBXRSZHBU-RYUDHWBXSA-N 0 3 318.352 1.515 50 0 DDAAHN CCCn1ccnc1CN1C[C@H]2CC[C@H](CN2CCOC)C1 ZINC000091643314 193084395 /nfs/dbraw/zinc/08/43/95/193084395.db2.gz XGAZPRWABFIZDC-JKSUJKDBSA-N 0 3 306.454 1.836 50 0 DDAAHN CN1CCC(Cc2noc([C@H]3CCC(=O)N(C4CC4)C3)n2)CC1 ZINC000091694266 193092863 /nfs/dbraw/zinc/09/28/63/193092863.db2.gz BXSFNXYHEYBLKA-ZDUSSCGKSA-N 0 3 318.421 1.822 50 0 DDAAHN CCCNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023127512 182349517 /nfs/dbraw/zinc/34/95/17/182349517.db2.gz PBBAWNKMGRYRSH-UHFFFAOYSA-N 0 3 323.462 1.603 50 0 DDAAHN COc1cccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1OC ZINC000106517093 194223203 /nfs/dbraw/zinc/22/32/03/194223203.db2.gz JPCOXCWSVMBKDJ-QWHCGFSZSA-N 0 3 320.389 1.297 50 0 DDAAHN CC(C)N1CCN(Cc2cccc3nonc32)C[C@H]1CCO 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C[C@@H](CNC(=O)N1CCN(c2nccs2)CC1)N1CCCC1 ZINC000065444450 184346239 /nfs/dbraw/zinc/34/62/39/184346239.db2.gz NBCOPRBFXKRFBJ-ZDUSSCGKSA-N 0 3 323.466 1.459 50 0 DDAAHN Cc1nnc2n1C[C@H](NCc1cccc3c1OCCO3)CC2 ZINC000065563813 184366618 /nfs/dbraw/zinc/36/66/18/184366618.db2.gz JTONWZNQIWSJMX-CYBMUJFWSA-N 0 3 300.362 1.462 50 0 DDAAHN C[C@H](N)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000158056091 197239831 /nfs/dbraw/zinc/23/98/31/197239831.db2.gz MQJFSZRFVOKBHF-JOYOIKCWSA-N 0 3 300.305 1.535 50 0 DDAAHN CCOC(=O)C1(C(=O)N2CCCN(C3CCCC3)CC2)CC1 ZINC000073880629 257270959 /nfs/dbraw/zinc/27/09/59/257270959.db2.gz GSWJYCYTRNIAPN-UHFFFAOYSA-N 0 3 308.422 1.807 50 0 DDAAHN CCN(C(=O)[C@@H](C)NC[C@H]1CN(C)CCO1)C1CCCCC1 ZINC000069652676 184831670 /nfs/dbraw/zinc/83/16/70/184831670.db2.gz QIPQFBBPQLGEON-ZBFHGGJFSA-N 0 3 311.470 1.476 50 0 DDAAHN CN([C@@H]1CC(=O)N(c2ccccc2)C1=O)C1CCN(C)CC1 ZINC000000077141 406618558 /nfs/dbraw/zinc/61/85/58/406618558.db2.gz IDGIUMMSDWTVDX-OAHLLOKOSA-N 0 3 301.390 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/nfs/dbraw/zinc/71/77/24/406717724.db2.gz LYTZYTTUOJELLG-ZDUSSCGKSA-N 0 3 317.393 1.541 50 0 DDAAHN Fc1cc(CN[C@H]2CCc3ncnn3C2)ccc1-n1cncn1 ZINC000069490855 406722068 /nfs/dbraw/zinc/72/20/68/406722068.db2.gz GBSWUCDZNUBUFP-LBPRGKRZSA-N 0 3 313.340 1.103 50 0 DDAAHN CN(CC1CCN(CCO)CC1)c1ncnc2ccsc21 ZINC000069952043 406796300 /nfs/dbraw/zinc/79/63/00/406796300.db2.gz BMJPIVGGGCIMCK-UHFFFAOYSA-N 0 3 306.435 1.832 50 0 DDAAHN O=C1CCCN1C[C@H](O)CNCc1c[nH]nc1-c1ccccc1 ZINC000071841232 406851505 /nfs/dbraw/zinc/85/15/05/406851505.db2.gz XCEKOUXOICIETC-OAHLLOKOSA-N 0 3 314.389 1.150 50 0 DDAAHN Cc1cc(C)n(C[C@H]2CCCN2C[C@H](O)Cn2cccn2)n1 ZINC000071878658 406859391 /nfs/dbraw/zinc/85/93/91/406859391.db2.gz XKVRYLUWNIPRKB-CVEARBPZSA-N 0 3 303.410 1.222 50 0 DDAAHN CCCN1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000072234947 406874347 /nfs/dbraw/zinc/87/43/47/406874347.db2.gz CIIWGBCSNFYUPW-LSDHHAIUSA-N 0 3 305.426 1.706 50 0 DDAAHN CC(C)Cn1cncc1CN1CC2(C[C@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072173739 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CCC(=O)c1ccc(OCC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000055370846 407201640 /nfs/dbraw/zinc/20/16/40/407201640.db2.gz YKOLATNDKLHWEY-OAHLLOKOSA-N 0 3 316.401 1.965 50 0 DDAAHN Cc1cc(C)c2c(ncnc2NCCCN2CCC[C@@H](O)C2)n1 ZINC000095356910 407208152 /nfs/dbraw/zinc/20/81/52/407208152.db2.gz GBXXGLXFIHPBNJ-CQSZACIVSA-N 0 3 315.421 1.900 50 0 DDAAHN CCC[NH+]1CCC(CC(=O)NCc2cc(=O)[n-]c(C)n2)CC1 ZINC000095379387 407211779 /nfs/dbraw/zinc/21/17/79/407211779.db2.gz UJDRCKHDCANZFS-UHFFFAOYSA-N 0 3 306.410 1.207 50 0 DDAAHN COC(=O)CN1CCCN(Cc2cccc3[nH]ccc32)CC1 ZINC000095982756 407220337 /nfs/dbraw/zinc/22/03/37/407220337.db2.gz SUKKOCZIDZNJMO-UHFFFAOYSA-N 0 3 301.390 1.849 50 0 DDAAHN NS(=O)(=O)c1ccc(-c2ccc(N3CCNCC3)cc2)s1 ZINC000096140296 407240493 /nfs/dbraw/zinc/24/04/93/407240493.db2.gz FVBKFQVUSIHHPY-UHFFFAOYSA-N 0 3 323.443 1.472 50 0 DDAAHN CN1CCC(n2nc(CC3CC3)nc2CN2CCCC2=O)CC1 ZINC000096179534 407243782 /nfs/dbraw/zinc/24/37/82/407243782.db2.gz LFEHLXJKDXIPLY-UHFFFAOYSA-N 0 3 317.437 1.620 50 0 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GFAVHBFEYDOYDL-PBHICJAKSA-N 0 3 302.422 1.066 50 0 DDAAHN COCCN1CC[C@@H](NCc2c(C)nc3sc(C)cn23)C1 ZINC000078796935 353533370 /nfs/dbraw/zinc/53/33/70/353533370.db2.gz JRKCGKRJIFWCAX-CYBMUJFWSA-N 0 3 308.451 1.823 50 0 DDAAHN Cc1nn(CCO)c(C)c1CNC[C@@H]1COc2ccccc2C1 ZINC000097159784 353918170 /nfs/dbraw/zinc/91/81/70/353918170.db2.gz UMUASYSGDUUOFJ-OAHLLOKOSA-N 0 3 315.417 1.833 50 0 DDAAHN COc1ccc(-c2nnc(NC(=O)CNC3CC3)s2)cc1 ZINC000097234173 353918881 /nfs/dbraw/zinc/91/88/81/353918881.db2.gz TWYANCYBYLTYGG-UHFFFAOYSA-N 0 3 304.375 1.904 50 0 DDAAHN Cc1noc(C)c1CN1CCC[C@@H]([C@]2(C)NC(=O)N(C)C2=O)C1 ZINC000107059169 353944388 /nfs/dbraw/zinc/94/43/88/353944388.db2.gz IHZGUAYDSNRCSE-WBMJQRKESA-N 0 3 320.393 1.444 50 0 DDAAHN CCc1cnc(CN(C(C)=O)[C@H]2CCN(C[C@H]3CCOC3)C2)o1 ZINC000107354192 353944948 /nfs/dbraw/zinc/94/49/48/353944948.db2.gz LNLBJCUKRSRHHZ-CABCVRRESA-N 0 3 321.421 1.696 50 0 DDAAHN CS[C@@H]1CC[C@H](N(C)CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000110641689 353961421 /nfs/dbraw/zinc/96/14/21/353961421.db2.gz IHKVUZUROZRKCY-YIYPIFLZSA-N 0 3 300.468 1.838 50 0 DDAAHN CCC[C@@H](N)C(=O)N1CCN(CCc2ccc(F)cc2)CC1 ZINC000195543834 354297007 /nfs/dbraw/zinc/29/70/07/354297007.db2.gz YWXFKBPFLOEMTR-MRXNPFEDSA-N 0 3 307.413 1.640 50 0 DDAAHN CC1(C)[C@H](NCCS(=O)(=O)NCC2CCC2)[C@H]2CCO[C@@H]21 ZINC000195550675 354297030 /nfs/dbraw/zinc/29/70/30/354297030.db2.gz CCMNLGNBYDHHHM-MCIONIFRSA-N 0 3 316.467 1.109 50 0 DDAAHN CC(=O)N1CCN([C@@H]2CN([C@@H](C)c3cccnc3)C[C@H]2C)CC1 ZINC000257366149 354389301 /nfs/dbraw/zinc/38/93/01/354389301.db2.gz LGHPLNQCOXQVTO-RVKKMQEKSA-N 0 3 316.449 1.627 50 0 DDAAHN O=C(c1cccn1C1CC1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000584887447 354790299 /nfs/dbraw/zinc/79/02/99/354790299.db2.gz VHHHTCSFQJLEGV-HOTGVXAUSA-N 0 3 303.406 1.494 50 0 DDAAHN Cc1noc(-c2ccnc(N[C@H]3COC[C@@H]3N3CCCC3)c2)n1 ZINC000584898595 354798599 /nfs/dbraw/zinc/79/85/99/354798599.db2.gz KAJOZWYAIJZATH-KBPBESRZSA-N 0 3 315.377 1.715 50 0 DDAAHN COc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)c(C)c1 ZINC000585139910 354813906 /nfs/dbraw/zinc/81/39/06/354813906.db2.gz UNNGOHBRRFVECP-TZMCWYRMSA-N 0 3 312.435 1.717 50 0 DDAAHN CN(C(=O)COc1ccc(-n2cnnn2)cc1)C1CCCCC1 ZINC000005459577 181246106 /nfs/dbraw/zinc/24/61/06/181246106.db2.gz QFLFBDUIVGRRTI-UHFFFAOYSA-N 0 3 315.377 1.832 50 0 DDAAHN COCCNCC(=O)N1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000237166987 202173150 /nfs/dbraw/zinc/17/31/50/202173150.db2.gz ICMAHSVUSHEVDP-RDJZCZTQSA-N 0 3 320.433 1.828 50 0 DDAAHN CN(Cc1nc2ccccc2s1)C(=O)C[C@@H]1CNCCO1 ZINC000091300642 193035775 /nfs/dbraw/zinc/03/57/75/193035775.db2.gz NDINLHNEQBEXNI-LLVKDONJSA-N 0 3 305.403 1.633 50 0 DDAAHN O=C(C=Cc1ccco1)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008973251 181593981 /nfs/dbraw/zinc/59/39/81/181593981.db2.gz JCGLCWHUQPYNNX-ONEGZZNKSA-N 0 3 312.373 1.680 50 0 DDAAHN CCN(C)C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2)C[C@@H]1CO ZINC000091931801 284349483 /nfs/dbraw/zinc/34/94/83/284349483.db2.gz UOUVGZIZRUOWCQ-HZPDHXFCSA-N 0 3 306.406 1.377 50 0 DDAAHN CCN(C)C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)C[C@@H]1CO ZINC000091931801 284349485 /nfs/dbraw/zinc/34/94/85/284349485.db2.gz UOUVGZIZRUOWCQ-HZPDHXFCSA-N 0 3 306.406 1.377 50 0 DDAAHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccs1 ZINC000019639369 182134146 /nfs/dbraw/zinc/13/41/46/182134146.db2.gz CZYNQIPCKKVXAZ-VXGBXAGGSA-N 0 3 309.435 1.335 50 0 DDAAHN CCc1n[nH]c(CN2CCN([C@H]3CCCC[C@@H]3O)CC2)c1C ZINC000020914011 182253686 /nfs/dbraw/zinc/25/36/86/182253686.db2.gz ZDABDQVLUWTORO-IRXDYDNUSA-N 0 3 306.454 1.702 50 0 DDAAHN CCN(CCNC(=O)NCc1ccc(OC)c(OC)c1)C1CC1 ZINC000058268491 184097881 /nfs/dbraw/zinc/09/78/81/184097881.db2.gz XDJCATKTNOPXHQ-UHFFFAOYSA-N 0 3 321.421 1.987 50 0 DDAAHN COc1cc(OC)cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000058403214 184112992 /nfs/dbraw/zinc/11/29/92/184112992.db2.gz BIOHRIZMSLPTGM-CZUORRHYSA-N 0 3 320.389 1.297 50 0 DDAAHN CCCSc1ncc(CN2CCN3CCN(C)C[C@@H]3C2)cn1 ZINC000065384770 184333278 /nfs/dbraw/zinc/33/32/78/184333278.db2.gz DECFOYUPDDFFSC-OAHLLOKOSA-N 0 3 321.494 1.410 50 0 DDAAHN Cn1ccnc1-c1c(-c2ccccc2)ncn1C[C@@H]1CNCCO1 ZINC000065375925 184331617 /nfs/dbraw/zinc/33/16/17/184331617.db2.gz SZLVERYBNNJEBP-HNNXBMFYSA-N 0 3 323.400 1.939 50 0 DDAAHN C[C@@H](CNC(=O)NCc1ccc(Cn2cncn2)cc1)N(C)C ZINC000065440847 184345747 /nfs/dbraw/zinc/34/57/47/184345747.db2.gz CVTKXNLFLRHZNF-ZDUSSCGKSA-N 0 3 316.409 1.076 50 0 DDAAHN CN(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C1CC1 ZINC000065443791 184346090 /nfs/dbraw/zinc/34/60/90/184346090.db2.gz QSLMURLTKAQPMI-GFCCVEGCSA-N 0 3 319.380 1.389 50 0 DDAAHN Cc1nn(CCO)c(C)c1CNCCC(=O)NC1CCCCC1 ZINC000065530223 184360851 /nfs/dbraw/zinc/36/08/51/184360851.db2.gz YFEKCGADFICVCK-UHFFFAOYSA-N 0 3 322.453 1.421 50 0 DDAAHN C[C@@H](NC(=O)N1CCC2(CC1)CNCCO2)c1ccccc1 ZINC000426575032 533118140 /nfs/dbraw/zinc/11/81/40/533118140.db2.gz NSAWSQOKXPLVKM-CQSZACIVSA-N 0 3 303.406 1.912 50 0 DDAAHN CCN(C(=O)CN1CCC(c2n[nH]c(C3CC3)n2)CC1)C1CC1 ZINC000069010820 406678265 /nfs/dbraw/zinc/67/82/65/406678265.db2.gz HNGXNRLQLCSHMY-UHFFFAOYSA-N 0 3 317.437 1.872 50 0 DDAAHN CCN(C(=O)CN1CCC(c2nc(C3CC3)n[nH]2)CC1)C1CC1 ZINC000069010820 406678269 /nfs/dbraw/zinc/67/82/69/406678269.db2.gz HNGXNRLQLCSHMY-UHFFFAOYSA-N 0 3 317.437 1.872 50 0 DDAAHN CCCCOC[C@@H](O)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002091581 406680055 /nfs/dbraw/zinc/68/00/55/406680055.db2.gz OVGNNZJDYJKHBE-XHSDSOJGSA-N 0 3 320.433 1.445 50 0 biogenic DDAAHN Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NC1CCN(C)CC1 ZINC000002777506 406699031 /nfs/dbraw/zinc/69/90/31/406699031.db2.gz TWLARARCPQBDKG-UHFFFAOYSA-N 0 3 324.734 1.916 50 0 DDAAHN O[C@H](CNC[C@H]1COc2ccccc2O1)COc1ccccc1 ZINC000000295022 406638959 /nfs/dbraw/zinc/63/89/59/406638959.db2.gz VUGWCXWXZGDKIV-ZBFHGGJFSA-N 0 3 315.369 1.856 50 0 DDAAHN C[C@@H](NCC(=O)NCCOc1ccccc1)[C@H](C)n1cccn1 ZINC000069741386 406766632 /nfs/dbraw/zinc/76/66/32/406766632.db2.gz OBNSUHNIDAUZGW-CABCVRRESA-N 0 3 316.405 1.617 50 0 DDAAHN O=S(=O)(c1ccc(N2CCNCC2)cc1)N1CCCCC1 ZINC000004245554 406722188 /nfs/dbraw/zinc/72/21/88/406722188.db2.gz FPONFHYRKJJMCN-UHFFFAOYSA-N 0 3 309.435 1.271 50 0 DDAAHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1cc(C)no1)CC2 ZINC000069815133 406777002 /nfs/dbraw/zinc/77/70/02/406777002.db2.gz CQOVCMDAQMUBGH-GHMZBOCLSA-N 0 3 318.381 1.069 50 0 DDAAHN Cc1ccc(CN2CCCN(c3ccc4nnnn4n3)CC2)cc1 ZINC000008747721 406796134 /nfs/dbraw/zinc/79/61/34/406796134.db2.gz MYIHJNZSNJYQIO-UHFFFAOYSA-N 0 3 323.404 1.540 50 0 DDAAHN Cc1cc(NC[C@@H](O)COc2c(C)cccc2C)nc(N)n1 ZINC000071827972 406849078 /nfs/dbraw/zinc/84/90/78/406849078.db2.gz YBRSVMQNVQQAAL-CYBMUJFWSA-N 0 3 302.378 1.836 50 0 DDAAHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cccc(C(N)=O)c1 ZINC000071880436 406861069 /nfs/dbraw/zinc/86/10/69/406861069.db2.gz XSDCCDFYTVVQER-IAGOWNOFSA-N 0 3 315.417 1.761 50 0 DDAAHN COCCCN1CCCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000071921222 406867921 /nfs/dbraw/zinc/86/79/21/406867921.db2.gz GHOYBQRHEKQORK-UHFFFAOYSA-N 0 3 319.449 1.937 50 0 DDAAHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCOCC1 ZINC000073891388 406896153 /nfs/dbraw/zinc/89/61/53/406896153.db2.gz XCJWCQJTMGFPJQ-MRXNPFEDSA-N 0 3 303.406 1.865 50 0 DDAAHN CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)Nc2cccnc2)[nH]1 ZINC000071763525 406843003 /nfs/dbraw/zinc/84/30/03/406843003.db2.gz FPRVTIYNIJBOPL-KBPBESRZSA-N 0 3 313.405 1.959 50 0 DDAAHN CN(C)[C@H]1CCCN(C(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000075128171 406922432 /nfs/dbraw/zinc/92/24/32/406922432.db2.gz BUWMLRCUZYQRRW-HNNXBMFYSA-N 0 3 324.469 1.515 50 0 DDAAHN CCS[C@@H]1CC[C@H](N(C)CC(=O)NC[C@@H]2CCCO2)C1 ZINC000076067585 406954062 /nfs/dbraw/zinc/95/40/62/406954062.db2.gz VXVABHFRRQBWKJ-MELADBBJSA-N 0 3 300.468 1.888 50 0 DDAAHN Cc1cc(C)n(C[C@H](C)NC(=O)N(C)CC2CCN(C)CC2)n1 ZINC000078441117 407028889 /nfs/dbraw/zinc/02/88/89/407028889.db2.gz GCXGXPAKWHUOLR-AWEZNQCLSA-N 0 3 321.469 1.872 50 0 DDAAHN CCCN(CCN(C)C)C(=O)Cn1nc(C)c(Cl)c1C ZINC000078710657 407042468 /nfs/dbraw/zinc/04/24/68/407042468.db2.gz UICNHKSSTZSEMJ-UHFFFAOYSA-N 0 3 300.834 1.954 50 0 DDAAHN CN(Cc1ccccc1)C[C@H](O)Cn1ncc2ncccc2c1=O ZINC000077416651 406990492 /nfs/dbraw/zinc/99/04/92/406990492.db2.gz DLFKLQMMJMRGPL-HNNXBMFYSA-N 0 3 324.384 1.284 50 0 DDAAHN Cc1cccc(N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)c1C ZINC000048141261 407089868 /nfs/dbraw/zinc/08/98/68/407089868.db2.gz MCSYUDSWSSLDBZ-CQSZACIVSA-N 0 3 324.446 1.385 50 0 DDAAHN CCOCCn1nc(C)cc1C(=O)N1CCCC[C@H](N(C)C)C1 ZINC000082091150 407081087 /nfs/dbraw/zinc/08/10/87/407081087.db2.gz DVJBKBAPCNHJMJ-HNNXBMFYSA-N 0 3 322.453 1.784 50 0 DDAAHN C[C@@H](Cn1cccn1)NCC(=O)N1CCc2sccc2C1 ZINC000047944498 407084469 /nfs/dbraw/zinc/08/44/69/407084469.db2.gz OSZSGUNAQMZEMT-LBPRGKRZSA-N 0 3 304.419 1.508 50 0 DDAAHN COCCN1CCC(CNC(=O)COc2cccc(F)c2)CC1 ZINC000089414266 407133812 /nfs/dbraw/zinc/13/38/12/407133812.db2.gz FDUMQVNSBGMTQH-UHFFFAOYSA-N 0 3 324.396 1.679 50 0 DDAAHN CN(C)CCn1nnnc1SCc1cnc2ccccn12 ZINC000095990831 407222150 /nfs/dbraw/zinc/22/21/50/407222150.db2.gz HXXORWBIPCZWLF-UHFFFAOYSA-N 0 3 303.395 1.175 50 0 DDAAHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCCSC1 ZINC000095996609 407222829 /nfs/dbraw/zinc/22/28/29/407222829.db2.gz OHBSUZYBWIWWSG-AWEZNQCLSA-N 0 3 314.499 1.161 50 0 DDAAHN O=C(Cc1ccc2c(c1)CCO2)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000061649678 407229170 /nfs/dbraw/zinc/22/91/70/407229170.db2.gz OTYVDVJFAVFVSZ-JKSUJKDBSA-N 0 3 316.401 1.143 50 0 DDAAHN CC(C)[NH2+]Cc1cc(=O)n2nc(NCc3cccs3)[n-]c2n1 ZINC000101797060 407316183 /nfs/dbraw/zinc/31/61/83/407316183.db2.gz DEXLYDCIZAGBNU-UHFFFAOYSA-N 0 3 318.406 1.589 50 0 DDAAHN CCC1CCC(C(=O)NCC(=O)NC[C@@H]2CCCN(C)C2)CC1 ZINC000067967329 407292509 /nfs/dbraw/zinc/29/25/09/407292509.db2.gz UKNQRFNDZCVZEP-PCKAHOCUSA-N 0 3 323.481 1.777 50 0 DDAAHN Cc1nc2cc(C(=O)NCCN3CCC[C@@H](CO)C3)ccc2[nH]1 ZINC000097446905 407293798 /nfs/dbraw/zinc/29/37/98/407293798.db2.gz IEIRBEKKVRQPLH-CYBMUJFWSA-N 0 3 316.405 1.305 50 0 DDAAHN O=C(NCCN1CCCC[C@H]1CO)c1cccc2nccnc21 ZINC000097711817 407301549 /nfs/dbraw/zinc/30/15/49/407301549.db2.gz RWAHZEFZWDOKSM-ZDUSSCGKSA-N 0 3 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DDAAHN Cc1nn2cccnc2c1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C ZINC000069659178 406752220 /nfs/dbraw/zinc/75/22/20/406752220.db2.gz IXXZJDJMZPIBPX-ZIAGYGMSSA-N 0 3 313.405 1.737 50 0 DDAAHN C[C@@H](Cn1cccn1)NCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000069740444 406764708 /nfs/dbraw/zinc/76/47/08/406764708.db2.gz DXPKHUTWSJYKGD-DZGCQCFKSA-N 0 3 314.389 1.501 50 0 DDAAHN COc1cc(CN[C@H]2CCc3nc(C)nn3C2)cc2c1OCO2 ZINC000069770487 406769046 /nfs/dbraw/zinc/76/90/46/406769046.db2.gz UYROETMURWSTPI-LBPRGKRZSA-N 0 3 316.361 1.428 50 0 DDAAHN CCCN1CCC(NS(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000069487287 406719754 /nfs/dbraw/zinc/71/97/54/406719754.db2.gz UYBYGPYSRAAQLU-CYBMUJFWSA-N 0 3 303.472 1.427 50 0 DDAAHN CN1CCC[C@H]1C(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000069484969 406720277 /nfs/dbraw/zinc/72/02/77/406720277.db2.gz ARKGLCBGVOGDEJ-ZDUSSCGKSA-N 0 3 303.410 1.025 50 0 DDAAHN Fc1ccc(-c2n[nH]cc2CN[C@@H]2CCc3ncnn3C2)cc1 ZINC000069488834 406721110 /nfs/dbraw/zinc/72/11/10/406721110.db2.gz OUGKGVQUEHGAHY-CQSZACIVSA-N 0 3 312.352 1.912 50 0 DDAAHN Fc1cc(CN[C@@H]2CCc3ncnn3C2)ccc1-n1cncn1 ZINC000069490854 406723963 /nfs/dbraw/zinc/72/39/63/406723963.db2.gz GBSWUCDZNUBUFP-GFCCVEGCSA-N 0 3 313.340 1.103 50 0 DDAAHN Cc1ccn2ncc(C(=O)N3CCC[C@H]3[C@H]3CCCN3C)c2n1 ZINC000069849421 406782255 /nfs/dbraw/zinc/78/22/55/406782255.db2.gz RODPLVRCMBBRMI-CABCVRRESA-N 0 3 313.405 1.737 50 0 DDAAHN C[C@H](CN1CCN(C)CC1)Nc1ncnc2cc(F)ccc21 ZINC000069811179 406776128 /nfs/dbraw/zinc/77/61/28/406776128.db2.gz RQSDJRKUUQNZBD-GFCCVEGCSA-N 0 3 303.385 1.817 50 0 DDAAHN CCN(C(=O)CN[C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000069875839 406787383 /nfs/dbraw/zinc/78/73/83/406787383.db2.gz BMPHJXHELLBSGN-CYBMUJFWSA-N 0 3 303.410 1.046 50 0 DDAAHN COCCN(CCCN1C(=O)CNC1=O)Cc1cccs1 ZINC000070005253 406800586 /nfs/dbraw/zinc/80/05/86/406800586.db2.gz KWKDUFNHYLHRPO-UHFFFAOYSA-N 0 3 311.407 1.138 50 0 DDAAHN C[C@@H](NCC(=O)NCCc1cccs1)[C@H](C)n1cccn1 ZINC000070003976 406801445 /nfs/dbraw/zinc/80/14/45/406801445.db2.gz BONZODNDWZBYTI-OLZOCXBDSA-N 0 3 306.435 1.843 50 0 DDAAHN CN1CCC[C@@H](CSc2nnnn2-c2ccc(O)cc2)C1 ZINC000069978173 406798574 /nfs/dbraw/zinc/79/85/74/406798574.db2.gz UPLJCBVRIOHZPI-LLVKDONJSA-N 0 3 305.407 1.802 50 0 DDAAHN COc1ccccc1CN1C(=N)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000009485635 406808411 /nfs/dbraw/zinc/80/84/11/406808411.db2.gz NGGAMGQHTFYBQD-JQWIXIFHSA-N 0 3 312.416 1.344 50 0 DDAAHN N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl ZINC000011999759 406834484 /nfs/dbraw/zinc/83/44/84/406834484.db2.gz OHRBAFYCAPUXEZ-WDEREUQCSA-N 0 3 316.835 1.989 50 0 DDAAHN CC(C)c1ccccc1OC[C@H](O)CN1CCC[C@@H](C(N)=O)C1 ZINC000012549894 406847745 /nfs/dbraw/zinc/84/77/45/406847745.db2.gz GVNVYCIATKRBNB-HUUCEWRRSA-N 0 3 320.433 1.747 50 0 DDAAHN C[C@@H](O)CN1CCN(CCC(=O)NC2CCCCC2)C[C@H]1C ZINC000071879592 406859736 /nfs/dbraw/zinc/85/97/36/406859736.db2.gz VNEGAGCMQMUXFN-HUUCEWRRSA-N 0 3 311.470 1.212 50 0 DDAAHN c1cnnc(N2CCC[C@H]2CNCc2cccc3c2OCO3)c1 ZINC000071877236 406860272 /nfs/dbraw/zinc/86/02/72/406860272.db2.gz QJXBZZPHCMGUEB-AWEZNQCLSA-N 0 3 312.373 1.964 50 0 DDAAHN CCN1CCC2(CC1)OCCN2C(=O)c1ccccc1OC ZINC000013734290 406867877 /nfs/dbraw/zinc/86/78/77/406867877.db2.gz KVGBTNIWCVGZIW-UHFFFAOYSA-N 0 3 304.390 1.980 50 0 DDAAHN Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCCCC1)C2 ZINC000014741802 406875652 /nfs/dbraw/zinc/87/56/52/406875652.db2.gz MFHDEMIRZFOCQM-CQSZACIVSA-N 0 3 316.449 1.999 50 0 DDAAHN COCCN(Cc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036095188 406975809 /nfs/dbraw/zinc/97/58/09/406975809.db2.gz HPWSXYGWPHAQFP-MRXNPFEDSA-N 0 3 311.422 1.930 50 0 DDAAHN CCO[C@H]1C[C@H](N(C)CCCS(N)(=O)=O)C12CCCCC2 ZINC000076040607 406950919 /nfs/dbraw/zinc/95/09/19/406950919.db2.gz YYCIGCLTILESMT-KBPBESRZSA-N 0 3 318.483 1.725 50 0 DDAAHN CCN(CC)CC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000076085118 406954114 /nfs/dbraw/zinc/95/41/14/406954114.db2.gz BUBHZJYNLFDKCI-UHFFFAOYSA-N 0 3 304.438 1.817 50 0 DDAAHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cnn(-c2ccccc2)n1 ZINC000044934400 407033836 /nfs/dbraw/zinc/03/38/36/407033836.db2.gz RXDRTEWWBIMNQQ-ZDUSSCGKSA-N 0 3 311.389 1.481 50 0 DDAAHN COc1ccc(OC)c([C@@H](C)NC(=O)C(C)S(C)(=O)=O)c1 ZINC000044936291 407034107 /nfs/dbraw/zinc/03/41/07/407034107.db2.gz HCWGULASDONSPY-ZJUUUORDSA-N 0 3 315.391 1.314 50 0 DDAAHN O[C@]1(CN2CCCC2)COCCN(c2nc3ccccc3o2)C1 ZINC000077423397 406990220 /nfs/dbraw/zinc/99/02/20/406990220.db2.gz QQWBYYKXTAJFDH-KRWDZBQOSA-N 0 3 317.389 1.491 50 0 DDAAHN COc1cc(CN2CCN(C[C@H](O)C3CC3)CC2)cc(OC)c1 ZINC000085436867 407101777 /nfs/dbraw/zinc/10/17/77/407101777.db2.gz YWNIXYFMCHYQBC-SFHVURJKSA-N 0 3 320.433 1.592 50 0 DDAAHN COCCN1CCC(NC(=O)COc2ccccc2OC)CC1 ZINC000085467958 407102884 /nfs/dbraw/zinc/10/28/84/407102884.db2.gz YWMDBDVFLBAZMA-UHFFFAOYSA-N 0 3 322.405 1.301 50 0 DDAAHN Cn1cc(C(=O)NCCN2CCCCC2)c(C(F)(F)F)n1 ZINC000054004473 407177177 /nfs/dbraw/zinc/17/71/77/407177177.db2.gz SKCHEOLWKLUJEL-UHFFFAOYSA-N 0 3 304.316 1.655 50 0 DDAAHN COCCN1CC[C@H](NC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000096413266 407261204 /nfs/dbraw/zinc/26/12/04/407261204.db2.gz NEVSDRWZBKHNTD-INIZCTEOSA-N 0 3 317.433 1.738 50 0 DDAAHN CCN1CCC[C@@H](c2cn(Cc3nnc4ccccn43)nn2)C1 ZINC000095367999 407210240 /nfs/dbraw/zinc/21/02/40/407210240.db2.gz TYCODFNLXNBLIS-CYBMUJFWSA-N 0 3 311.393 1.568 50 0 DDAAHN Cc1noc(C)c1CNC(=O)NC1CCN(CCN(C)C)CC1 ZINC000095955132 407217005 /nfs/dbraw/zinc/21/70/05/407217005.db2.gz OQTWEDOOVHAXFC-UHFFFAOYSA-N 0 3 323.441 1.117 50 0 DDAAHN N[C@H](CNS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1 ZINC000095972613 407218943 /nfs/dbraw/zinc/21/89/43/407218943.db2.gz JDTDBEFMSYSAQL-GFCCVEGCSA-N 0 3 311.794 1.713 50 0 DDAAHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cnc2ccccc2n1 ZINC000061649363 407229685 /nfs/dbraw/zinc/22/96/85/407229685.db2.gz IUTZKECAVVWQPS-QWHCGFSZSA-N 0 3 312.373 1.223 50 0 DDAAHN C[C@H](NCC(=O)NC(C)(C)C)c1ccc(-n2ccnn2)cc1 ZINC000096492471 407272183 /nfs/dbraw/zinc/27/21/83/407272183.db2.gz CEFFYMZYPCOTBK-LBPRGKRZSA-N 0 3 301.394 1.833 50 0 DDAAHN Cc1nc(Cc2n[nH]c([C@H](C)N)n2)n(-c2cc(C)ccc2C)n1 ZINC000067852016 407286778 /nfs/dbraw/zinc/28/67/78/407286778.db2.gz KUGRYABIQYFPFM-NSHDSACASA-N 0 3 311.393 1.921 50 0 DDAAHN CC(=O)NC[C@@H]1CCN(Cc2ccc(Cn3cccn3)cc2)C1 ZINC000067966617 407291675 /nfs/dbraw/zinc/29/16/75/407291675.db2.gz UDBOJCWSEHFPJU-SFHVURJKSA-N 0 3 312.417 1.889 50 0 DDAAHN CC1(C)Cc2cc(CN3C[C@@H]4C[C@H](O)[C@@H](O)C[C@@H]4C3)ccc2O1 ZINC000097475056 407298249 /nfs/dbraw/zinc/29/82/49/407298249.db2.gz RSEXISHFKBTTPS-YVSFHVDLSA-N 0 3 317.429 1.964 50 0 DDAAHN O=C(NCCCc1ccc(O)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000101388564 407309486 /nfs/dbraw/zinc/30/94/86/407309486.db2.gz OZDKQKBGNAFGJE-INIZCTEOSA-N 0 3 315.417 1.981 50 0 DDAAHN COC(=O)CC(C)(C)NCCS(=O)(=O)Oc1ccccc1 ZINC000170678739 407474974 /nfs/dbraw/zinc/47/49/74/407474974.db2.gz AGBKGKVKQJCBGM-UHFFFAOYSA-N 0 3 315.391 1.327 50 0 DDAAHN CN1CCC(N2CCN(C(=O)Cc3cccc(O)c3)CC2)CC1 ZINC000214990306 407480048 /nfs/dbraw/zinc/48/00/48/407480048.db2.gz RDYUGVQJLPOCGK-UHFFFAOYSA-N 0 3 317.433 1.173 50 0 DDAAHN CC(C)N(C)CC(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000170596369 407444413 /nfs/dbraw/zinc/44/44/13/407444413.db2.gz CBTYFWZLOCJCCW-UHFFFAOYSA-N 0 3 304.369 1.968 50 0 DDAAHN CN(C)c1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)cc1 ZINC000220580213 407541989 /nfs/dbraw/zinc/54/19/89/407541989.db2.gz LVJCRMGILUKFSO-HOTGVXAUSA-N 0 3 303.406 1.034 50 0 DDAAHN CCc1nccn1CC(=O)NCc1nnc(-c2ccccc2)[nH]1 ZINC000221416163 407549171 /nfs/dbraw/zinc/54/91/71/407549171.db2.gz TUNHIBHGBLWREQ-UHFFFAOYSA-N 0 3 310.361 1.547 50 0 DDAAHN CCc1[nH+]ccn1CC(=O)NCc1nnc(-c2ccccc2)[n-]1 ZINC000221416163 407549178 /nfs/dbraw/zinc/54/91/78/407549178.db2.gz TUNHIBHGBLWREQ-UHFFFAOYSA-N 0 3 310.361 1.547 50 0 DDAAHN CCCN1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000229437264 407660467 /nfs/dbraw/zinc/66/04/67/407660467.db2.gz CIIWGBCSNFYUPW-CABCVRRESA-N 0 3 305.426 1.706 50 0 DDAAHN CN(CCC(=O)Nc1nnc(C2CC2)s1)CCn1cccn1 ZINC000243919593 407925437 /nfs/dbraw/zinc/92/54/37/407925437.db2.gz BPLHXHGJYVBHEM-UHFFFAOYSA-N 0 3 320.422 1.573 50 0 DDAAHN COc1ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cn1 ZINC000244774209 407937083 /nfs/dbraw/zinc/93/70/83/407937083.db2.gz PPPORDLBQVGZJC-HNNXBMFYSA-N 0 3 319.405 1.463 50 0 DDAAHN CN1CCN(C)[C@H](CC(=O)NCCc2cccc(Cl)c2)C1 ZINC000244794928 407937350 /nfs/dbraw/zinc/93/73/50/407937350.db2.gz QWNSZVGDCVNBAE-OAHLLOKOSA-N 0 3 309.841 1.635 50 0 DDAAHN CNC(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000252512311 408803194 /nfs/dbraw/zinc/80/31/94/408803194.db2.gz PGOHDOVLUITIGP-RFGFWPKPSA-N 0 3 316.467 1.237 50 0 DDAAHN CCN(CC)Cc1cccc(NC(=O)N2CC[C@](O)(CO)C2)c1 ZINC000299780057 410621917 /nfs/dbraw/zinc/62/19/17/410621917.db2.gz IBKYUTFIHMQAGN-QGZVFWFLSA-N 0 3 321.421 1.489 50 0 DDAAHN O=C(CCOc1ccccc1)N[C@H]1COC[C@@H]1N1CCCC1 ZINC000299790863 410630772 /nfs/dbraw/zinc/63/07/72/410630772.db2.gz CLGYUZCSUOPRHG-HOTGVXAUSA-N 0 3 304.390 1.435 50 0 DDAAHN CN1CCCN(CC(=O)NCc2nc(C(C)(C)C)cs2)CC1 ZINC000299789917 410632019 /nfs/dbraw/zinc/63/20/19/410632019.db2.gz IHONYPRWVANGKG-UHFFFAOYSA-N 0 3 324.494 1.694 50 0 DDAAHN COC1(CNCc2ccc(S(C)(=O)=O)cc2)CCOCC1 ZINC000330696311 410881640 /nfs/dbraw/zinc/88/16/40/410881640.db2.gz ZZISZZIGZJSZFB-UHFFFAOYSA-N 0 3 313.419 1.375 50 0 DDAAHN CN1CCN(C(=O)CCN2CCC=C(c3ccccn3)C2)CC1 ZINC000408518962 418807112 /nfs/dbraw/zinc/80/71/12/418807112.db2.gz NBBOKPDUNBOSLJ-UHFFFAOYSA-N 0 3 314.433 1.335 50 0 DDAAHN CCc1ccc2occ(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)c2c1 ZINC000408517622 418807422 /nfs/dbraw/zinc/80/74/22/418807422.db2.gz OTGURDCKIOELTF-GJZGRUSLSA-N 0 3 302.374 1.742 50 0 DDAAHN O=C(NCc1ccc2sccc2c1)NC[C@@H]1CNCCO1 ZINC000426477518 419481260 /nfs/dbraw/zinc/48/12/60/419481260.db2.gz GEMUBXGAGYTICD-ZDUSSCGKSA-N 0 3 305.403 1.689 50 0 DDAAHN CN1CCC(N2CCN(C(=O)NCc3ccoc3)CC2)CC1 ZINC000426372516 419448475 /nfs/dbraw/zinc/44/84/75/419448475.db2.gz UXCXPZYRUZMGDV-UHFFFAOYSA-N 0 3 306.410 1.201 50 0 DDAAHN [NH3+][C@@H]1CC[C@H](NC(=O)c2ccc(-c3c[nH]c(=O)[n-]c3=O)cc2)C1 ZINC000426412609 419464574 /nfs/dbraw/zinc/46/45/74/419464574.db2.gz ANIISHPSQPLKQN-NEPJUHHUSA-N 0 3 314.345 1.164 50 0 DDAAHN CN1CCN(C[C@@H](O)C[C@](C)(O)C2CC2)Cc2ccccc21 ZINC000630035158 421847001 /nfs/dbraw/zinc/84/70/01/421847001.db2.gz BVQKPQXQWHVKAN-WMZOPIPTSA-N 0 3 304.434 1.850 50 0 DDAAHN CN(C)C(=O)c1ccc(CNC[C@](C)(CO)c2ccccc2)[nH]1 ZINC000342217854 271343183 /nfs/dbraw/zinc/34/31/83/271343183.db2.gz ZCCKVYLYLIPHDY-GOSISDBHSA-N 0 3 315.417 1.756 50 0 DDAAHN c1cnc(N2CCC[C@H](NCc3cccc4c3OCO4)C2)nc1 ZINC000042797450 275073514 /nfs/dbraw/zinc/07/35/14/275073514.db2.gz MPODMOHOUKEYSH-AWEZNQCLSA-N 0 3 312.373 1.964 50 0 DDAAHN CC(C)C1=NO[C@H](C(=O)N2CCN(C)C3(CCN(C)CC3)C2)C1 ZINC000071315339 277339650 /nfs/dbraw/zinc/33/96/50/277339650.db2.gz BGLYQKQGTABKAT-HNNXBMFYSA-N 0 3 322.453 1.026 50 0 DDAAHN COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCN(C)c3ccccc3C2)C1 ZINC000107148453 277368403 /nfs/dbraw/zinc/36/84/03/277368403.db2.gz CSPNHIMAYOFUNE-NUEKZKHPSA-N 0 3 304.390 1.251 50 0 DDAAHN Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)CN ZINC000091626360 293289860 /nfs/dbraw/zinc/28/98/60/293289860.db2.gz HHVAWSMQLQTIDC-NSHDSACASA-N 0 3 305.426 1.690 50 0 DDAAHN Cc1nnc([C@@H]2COCCN2CCN2C[C@H](C)C[C@@H](C)C2)o1 ZINC000408524781 302822975 /nfs/dbraw/zinc/82/29/75/302822975.db2.gz ZFLZARPNYGFWPA-NFAWXSAZSA-N 0 3 308.426 1.729 50 0 DDAAHN c1sc(-c2ccccc2)nc1CN1C[C@@H]2NCCO[C@H]2C1 ZINC000534651792 334312357 /nfs/dbraw/zinc/31/23/57/334312357.db2.gz QMDAAPSJIIWFKW-GJZGRUSLSA-N 0 3 301.415 1.983 50 0 DDAAHN CN(C)c1cc(N2CCN(C(=O)c3cccs3)CC2)cnn1 ZINC000206723928 484134995 /nfs/dbraw/zinc/13/49/95/484134995.db2.gz NUTXAEOXZAFYEQ-UHFFFAOYSA-N 0 3 317.418 1.567 50 0 DDAAHN COc1cccc(C(=O)NCCN2CCCC[C@H]2CO)c1C ZINC000670450908 484837377 /nfs/dbraw/zinc/83/73/77/484837377.db2.gz XOTMCKNGCPZLBR-AWEZNQCLSA-N 0 3 306.406 1.580 50 0 DDAAHN C[C@@H](C1CCN(C(=O)NCc2cc[nH]n2)CC1)N1CCOCC1 ZINC000670449472 484837751 /nfs/dbraw/zinc/83/77/51/484837751.db2.gz RTLCHKXBVIWPIM-ZDUSSCGKSA-N 0 3 321.425 1.052 50 0 DDAAHN CC(C)N1CCN(CCCN2CCC(=O)CC23CCC3)CC1 ZINC000328598347 529042356 /nfs/dbraw/zinc/04/23/56/529042356.db2.gz LPQQMJWHNGXFMC-UHFFFAOYSA-N 0 3 307.482 1.990 50 0 DDAAHN Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H](O)CN ZINC000067974826 696365914 /nfs/dbraw/zinc/36/59/14/696365914.db2.gz APSMWQOWEIONBT-AWEZNQCLSA-N 0 3 315.373 1.427 50 0 DDAAHN CCn1c(CNC(=O)N2CCCN(C)CC2)nc2ccccc21 ZINC000823582672 758325387 /nfs/dbraw/zinc/32/53/87/758325387.db2.gz YBHSZOPKHMWAFR-UHFFFAOYSA-N 0 3 315.421 1.903 50 0 DDAAHN Cc1ccc(CNC(=O)NCCN2CCCC[C@@H]2CO)cc1 ZINC000828710994 759747209 /nfs/dbraw/zinc/74/72/09/759747209.db2.gz VBIVCZASNIPCMO-MRXNPFEDSA-N 0 3 305.422 1.641 50 0 DDAAHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC000585129134 771962978 /nfs/dbraw/zinc/96/29/78/771962978.db2.gz YXRGZNBJBNQMMK-DJIMGWMZSA-N 0 3 318.417 1.429 50 0 DDAAHN C[C@@H]1OC(=O)N[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000585133436 771965761 /nfs/dbraw/zinc/96/57/61/771965761.db2.gz IADXCPONQDBUTJ-JOYOIKCWSA-N 0 3 302.334 1.968 50 0 DDAAHN Cc1cc(C)n2ncc(-c3noc(C45CCN(CC4)C5)n3)c2n1 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/nfs/dbraw/zinc/35/90/98/194359098.db2.gz GLWYURDIVBKVLD-JTQLQIEISA-N 0 3 322.352 1.983 50 0 DDAAHN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H]3CCN(C4CC4)C3)c12 ZINC000057553767 184042078 /nfs/dbraw/zinc/04/20/78/184042078.db2.gz XVSKLLKMMGXIOS-LBPRGKRZSA-N 0 3 313.405 1.552 50 0 DDAAHN COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CCN(C3CC3)C1)C2 ZINC000058280042 184098613 /nfs/dbraw/zinc/09/86/13/184098613.db2.gz DVTCCRDLCHURQJ-ZIAGYGMSSA-N 0 3 316.401 1.599 50 0 DDAAHN CC[C@H](CNC(=O)CSCc1noc(C)n1)N1CCCC1 ZINC000058841876 184129861 /nfs/dbraw/zinc/12/98/61/184129861.db2.gz WHLBPCQCGZXTOT-GFCCVEGCSA-N 0 3 312.439 1.602 50 0 DDAAHN CCCN1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000061782061 184187109 /nfs/dbraw/zinc/18/71/09/184187109.db2.gz CTUUTBGUVYAVNH-UHFFFAOYSA-N 0 3 315.417 1.700 50 0 DDAAHN C[C@H](N)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000158055806 197239612 /nfs/dbraw/zinc/23/96/12/197239612.db2.gz MQJFSZRFVOKBHF-CABZTGNLSA-N 0 3 300.305 1.535 50 0 DDAAHN COc1cccc(CNC(=O)CN[C@H](C)Cn2cccn2)c1 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ZINC000069453898 406714357 /nfs/dbraw/zinc/71/43/57/406714357.db2.gz ULAIIMWKALAHPV-AWEZNQCLSA-N 0 3 314.393 1.267 50 0 DDAAHN O[C@H](COC[C@@H]1CCCO1)CN1CCCC[C@@H]1Cn1cccn1 ZINC000069780267 406770768 /nfs/dbraw/zinc/77/07/68/406770768.db2.gz OPFHKFKWQACWOM-IKGGRYGDSA-N 0 3 323.437 1.294 50 0 DDAAHN CCOc1ccc(CNCCSc2nnnn2C)cc1OC ZINC000004998028 406728435 /nfs/dbraw/zinc/72/84/35/406728435.db2.gz JYOJKYFOGNZKHF-UHFFFAOYSA-N 0 3 323.422 1.499 50 0 DDAAHN CN1CCO[C@H](CNCC(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000069879834 406787349 /nfs/dbraw/zinc/78/73/49/406787349.db2.gz CPNKFKGQHRBHSH-OAHLLOKOSA-N 0 3 323.462 1.159 50 0 DDAAHN C[C@@H](O)CN1CCN(CCC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000069899256 406789108 /nfs/dbraw/zinc/78/91/08/406789108.db2.gz NDCFXXIUOROBLL-HZPDHXFCSA-N 0 3 319.449 1.252 50 0 DDAAHN C[C@@H](NCCS(=O)(=O)c1ccccc1)[C@@H](C)n1cccn1 ZINC000069952016 406795490 /nfs/dbraw/zinc/79/54/90/406795490.db2.gz LUNCRNXCUJKABZ-ZIAGYGMSSA-N 0 3 307.419 1.896 50 0 DDAAHN CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCN(C)C ZINC000009951139 406817245 /nfs/dbraw/zinc/81/72/45/406817245.db2.gz WKLCHWFIPFQSPD-CQSZACIVSA-N 0 3 306.410 1.511 50 0 DDAAHN Cc1cccn2c(=O)cc(CN[C@@H](C)[C@H](C)n3cccn3)nc12 ZINC000071882080 406860678 /nfs/dbraw/zinc/86/06/78/406860678.db2.gz PKVNTACNHIWNBP-KBPBESRZSA-N 0 3 311.389 1.939 50 0 DDAAHN O=C(NCCOc1ccccc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000072274020 406877824 /nfs/dbraw/zinc/87/78/24/406877824.db2.gz RGTSLOJGOUMVQF-ZBFHGGJFSA-N 0 3 319.405 1.228 50 0 DDAAHN COCCN(C)CCNC(=O)Nc1c(C)nn(C(C)C)c1C ZINC000072318939 406881573 /nfs/dbraw/zinc/88/15/73/406881573.db2.gz ILZRZLYWDBEFPQ-UHFFFAOYSA-N 0 3 311.430 1.781 50 0 DDAAHN CC(C)N1CCC2(CC1)NC(=O)c1sccc1-n1nnnc12 ZINC000035615798 406974898 /nfs/dbraw/zinc/97/48/98/406974898.db2.gz KRCYOOFKMSAKIJ-UHFFFAOYSA-N 0 3 318.406 1.167 50 0 DDAAHN O=S(=O)([N-]C[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1F ZINC000044502606 407025294 /nfs/dbraw/zinc/02/52/94/407025294.db2.gz PBRPFALHZLKOME-VIFPVBQESA-N 0 3 306.790 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LCORMNPRSQEXAI-UHFFFAOYSA-N 0 3 314.389 1.020 50 0 DDAAHN NC1(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)CC1 ZINC000071748685 283399601 /nfs/dbraw/zinc/39/96/01/283399601.db2.gz FYKWMQWXBPGNSZ-UHFFFAOYSA-N 0 3 301.321 1.857 50 0 DDAAHN C[C@H](Cc1ccccc1F)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000188205674 200209132 /nfs/dbraw/zinc/20/91/32/200209132.db2.gz YVXDGHUHQVGJQT-MLGOLLRUSA-N 0 3 316.380 1.885 50 0 DDAAHN C[C@H](N)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000195147985 201347998 /nfs/dbraw/zinc/34/79/98/201347998.db2.gz BEGZMICZSJSPJK-QMMMGPOBSA-N 0 3 303.193 1.384 50 0 DDAAHN COCC[C@]1(O)CCN(C(=O)CN(C)C2CCCC2)C[C@H]1C ZINC000091493220 193064214 /nfs/dbraw/zinc/06/42/14/193064214.db2.gz BERSMWMKCBYPLA-RHSMWYFYSA-N 0 3 312.454 1.497 50 0 DDAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)CSc1nncn1C)C2 ZINC000092062123 193151200 /nfs/dbraw/zinc/15/12/00/193151200.db2.gz ZTFCRSYJSCBHFZ-CHWSQXEVSA-N 0 3 323.466 1.240 50 0 DDAAHN COc1ccc(CCNC(=O)CN2C[C@@H](C)[C@@](C)(O)C2)cc1 ZINC000092081486 193155115 /nfs/dbraw/zinc/15/51/15/193155115.db2.gz QPXUSEKGEQEJPL-DYVFJYSZSA-N 0 3 306.406 1.057 50 0 DDAAHN C[C@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000094345720 193363435 /nfs/dbraw/zinc/36/34/35/193363435.db2.gz APEVGEIMINCIOT-GXSJLCMTSA-N 0 3 322.352 1.982 50 0 DDAAHN OCC[C@H]1CN(C2CCOCC2)CCN1Cc1ccccc1 ZINC000020166421 182193931 /nfs/dbraw/zinc/19/39/31/182193931.db2.gz KGYAQWJMMDKGIV-SFHVURJKSA-N 0 3 304.434 1.734 50 0 DDAAHN CN1CCC[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000065462657 184349000 /nfs/dbraw/zinc/34/90/00/184349000.db2.gz UDJUOVCPBZUVPF-AWEZNQCLSA-N 0 3 311.385 1.866 50 0 DDAAHN CCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(C)(C)CO ZINC000097163467 285103916 /nfs/dbraw/zinc/10/39/16/285103916.db2.gz BVHUPDNBKWMXME-UHFFFAOYSA-N 0 3 314.451 1.530 50 0 DDAAHN CC1CCN(C[C@H](O)CNC(=O)CSC(C)(C)C)CC1 ZINC000096407866 256555070 /nfs/dbraw/zinc/55/50/70/256555070.db2.gz DLZRZCNUFJHWCZ-CYBMUJFWSA-N 0 3 302.484 1.727 50 0 DDAAHN CN(C)CCn1c2cc(NC(=O)[C@@H]3CCCO3)ccc2oc1=O ZINC000069378287 406703725 /nfs/dbraw/zinc/70/37/25/406703725.db2.gz OBURZEXFNHHZJM-AWEZNQCLSA-N 0 3 319.361 1.274 50 0 DDAAHN CN(C)c1ccc(CNCCn2c3ccccc3oc2=O)cn1 ZINC000069161129 406685783 /nfs/dbraw/zinc/68/57/83/406685783.db2.gz GVPWRMHQVDBVKM-UHFFFAOYSA-N 0 3 312.373 1.845 50 0 DDAAHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000069619259 406746212 /nfs/dbraw/zinc/74/62/12/406746212.db2.gz ZGRMAIAVINNYCY-ZDUSSCGKSA-N 0 3 324.812 1.222 50 0 DDAAHN CN(C)C(=O)[C@@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 ZINC000069629679 406747581 /nfs/dbraw/zinc/74/75/81/406747581.db2.gz VUJZRLCYPZANPV-SZNDQCEHSA-N 0 3 308.447 1.594 50 0 DDAAHN CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(CN(C)C)c1 ZINC000069384635 406705991 /nfs/dbraw/zinc/70/59/91/406705991.db2.gz VWFZRWSZMUQLAY-CQSZACIVSA-N 0 3 321.446 1.998 50 0 DDAAHN c1csc(-c2n[nH]cc2CN[C@H]2CCc3ncnn3C2)c1 ZINC000069488828 406720320 /nfs/dbraw/zinc/72/03/20/406720320.db2.gz ULIINGYJCJILNT-NSHDSACASA-N 0 3 300.391 1.834 50 0 DDAAHN COc1cc(CNC[C@H](C)O)cc(Br)c1OC ZINC000008497865 406787905 /nfs/dbraw/zinc/78/79/05/406787905.db2.gz ZPIWHVFPMMVYTH-QMMMGPOBSA-N 0 3 304.184 1.937 50 0 DDAAHN C[C@@H](CN1CCCC1=O)NCc1cn(C)nc1-c1ccncc1 ZINC000071825280 406847572 /nfs/dbraw/zinc/84/75/72/406847572.db2.gz XMKOVQOTIMYDFC-ZDUSSCGKSA-N 0 3 313.405 1.583 50 0 DDAAHN CC(C(N)=O)S(=O)(=O)Cc1csc(-c2ccsc2)n1 ZINC000071850389 406852628 /nfs/dbraw/zinc/85/26/28/406852628.db2.gz OXXBWMHZKSBWOQ-SSDOTTSWSA-N 0 3 316.429 1.660 50 0 DDAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)nnn2C ZINC000071870450 406855930 /nfs/dbraw/zinc/85/59/30/406855930.db2.gz SPKGDWAPGVTBCP-CVEARBPZSA-N 0 3 313.405 1.667 50 0 DDAAHN CN1CCO[C@@H](CNC[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000071877189 406859104 /nfs/dbraw/zinc/85/91/04/406859104.db2.gz GUCABMACNPQNMG-KBPBESRZSA-N 0 3 318.339 1.659 50 0 DDAAHN C[C@@H](C(=O)N1CCC[C@@H](n2cncn2)C1)N1CCCCCC1 ZINC000072293122 406879065 /nfs/dbraw/zinc/87/90/65/406879065.db2.gz USIOPHJORQTWAE-LSDHHAIUSA-N 0 3 305.426 1.706 50 0 DDAAHN CC(C)CN1CCN(Cc2cccc3c2OCO3)C[C@H]1CCO ZINC000036385791 406979101 /nfs/dbraw/zinc/97/91/01/406979101.db2.gz JJAPKPJAXICMKZ-MRXNPFEDSA-N 0 3 320.433 1.940 50 0 DDAAHN O=C(NCCN1CCCCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000029999569 406929196 /nfs/dbraw/zinc/92/91/96/406929196.db2.gz LYCFTMLKMYFZMP-UHFFFAOYSA-N 0 3 314.389 1.529 50 0 DDAAHN COc1ccc(CN(C)CCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000044648941 407027886 /nfs/dbraw/zinc/02/78/86/407027886.db2.gz FVEHQVKEODTEHT-UHFFFAOYSA-N 0 3 305.378 1.457 50 0 DDAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(Cl)n1 ZINC000078510906 407031325 /nfs/dbraw/zinc/03/13/25/407031325.db2.gz MQYIYYIHTHBWPT-LBPRGKRZSA-N 0 3 311.813 1.918 50 0 DDAAHN O=S(=O)(NC[C@H]1CCN(C2CC2)C1)c1ccc2c(c1)CCO2 ZINC000044935880 407034654 /nfs/dbraw/zinc/03/46/54/407034654.db2.gz XKOKOYRVODOZLK-GFCCVEGCSA-N 0 3 322.430 1.384 50 0 DDAAHN COc1ccc(Cl)cc1CNC(=O)C(C)S(C)(=O)=O ZINC000044953728 407034900 /nfs/dbraw/zinc/03/49/00/407034900.db2.gz LDLCGELGOMPIJK-MRVPVSSYSA-N 0 3 305.783 1.398 50 0 DDAAHN O=C(c1cnccn1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000077566369 406996919 /nfs/dbraw/zinc/99/69/19/406996919.db2.gz DXYRXBMBXJZSEJ-UHFFFAOYSA-N 0 3 322.412 1.792 50 0 DDAAHN CC(=O)N(C)CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000046147556 407055882 /nfs/dbraw/zinc/05/58/82/407055882.db2.gz BIFSHXJEFYSRCM-CYBMUJFWSA-N 0 3 309.435 1.480 50 0 DDAAHN CC(=O)N1CCC(C(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000053152494 407164646 /nfs/dbraw/zinc/16/46/46/407164646.db2.gz BBMHQHBAQVJASL-UHFFFAOYSA-N 0 3 309.454 1.578 50 0 DDAAHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000054226060 407180183 /nfs/dbraw/zinc/18/01/83/407180183.db2.gz XFEVZUCYLKSXKN-CJNGLKHVSA-N 0 3 311.385 1.940 50 0 DDAAHN NC(=O)[C@@H]1CCCN(CCNc2ncnc3cccc(F)c32)C1 ZINC000092028894 407186369 /nfs/dbraw/zinc/18/63/69/407186369.db2.gz PUIAHUOHDZOCKV-LLVKDONJSA-N 0 3 317.368 1.378 50 0 DDAAHN Cc1nc2c(nc(C)nc2N(CCN(C)C)C[C@@H]2CCCO2)o1 ZINC000055107819 407195699 /nfs/dbraw/zinc/19/56/99/407195699.db2.gz FWUCDADSOZMYKJ-ZDUSSCGKSA-N 0 3 319.409 1.782 50 0 DDAAHN COCc1cc(N2CCCO[C@@H](CN3CCCC3)C2)ncn1 ZINC000095353539 407208383 /nfs/dbraw/zinc/20/83/83/407208383.db2.gz LFACEKMJNYDPJT-HNNXBMFYSA-N 0 3 306.410 1.314 50 0 DDAAHN Cc1ccc(C)n1-c1c(C(=O)NC[C@H](C)N(C)C)cnn1C ZINC000056969292 407211459 /nfs/dbraw/zinc/21/14/59/407211459.db2.gz PJSJLEUKSNVYRG-ZDUSSCGKSA-N 0 3 303.410 1.508 50 0 DDAAHN C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1[n-]c(=O)nc3ccccc31)C2 ZINC000067696097 407280069 /nfs/dbraw/zinc/28/00/69/407280069.db2.gz GZVJQENTFHEXAW-NWDGAFQWSA-N 0 3 312.373 1.644 50 0 DDAAHN C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1[n-]c(=O)nc3ccccc31)C2 ZINC000067696097 407280071 /nfs/dbraw/zinc/28/00/71/407280071.db2.gz GZVJQENTFHEXAW-NWDGAFQWSA-N 0 3 312.373 1.644 50 0 DDAAHN CCCc1cc(CNC2CCN(C(=O)[C@@H]3CCCO3)CC2)on1 ZINC000067743729 407282452 /nfs/dbraw/zinc/28/24/52/407282452.db2.gz YJNFRYIPDLQDLH-INIZCTEOSA-N 0 3 321.421 1.887 50 0 DDAAHN O[C@H](CNCc1cccnc1)COc1ccc2c(c1)OCO2 ZINC000067975972 407292653 /nfs/dbraw/zinc/29/26/53/407292653.db2.gz KACQBSUKZXKXPT-CYBMUJFWSA-N 0 3 302.330 1.340 50 0 DDAAHN O[C@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000097553149 407299351 /nfs/dbraw/zinc/29/93/51/407299351.db2.gz LLTPVSAXLBSNSM-CQSZACIVSA-N 0 3 305.374 1.574 50 0 DDAAHN OC1(Cn2ccnc2)CCN(Cc2cccc3nonc32)CC1 ZINC000097772791 407302376 /nfs/dbraw/zinc/30/23/76/407302376.db2.gz MGSHKHLSRJGNPX-UHFFFAOYSA-N 0 3 313.361 1.446 50 0 DDAAHN COc1cccc(CS(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000106913235 407366125 /nfs/dbraw/zinc/36/61/25/407366125.db2.gz CKHKQINNPXWILF-ZFWWWQNUSA-N 0 3 324.446 1.694 50 0 DDAAHN CCOC(=O)c1ccoc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000170653791 407465726 /nfs/dbraw/zinc/46/57/26/407465726.db2.gz SJVAIWDUETZUKX-CQSZACIVSA-N 0 3 322.405 1.610 50 0 DDAAHN Cc1nn(C(C)C)c(C)c1CN(C)C(=O)C[C@H]1CNCCO1 ZINC000215388948 407482732 /nfs/dbraw/zinc/48/27/32/407482732.db2.gz ARSRFNRXKWUIIE-AWEZNQCLSA-N 0 3 308.426 1.418 50 0 DDAAHN CNC(=O)[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@H]1COC ZINC000257193659 407488135 /nfs/dbraw/zinc/48/81/35/407488135.db2.gz RVYFSFOQEBUWMV-NWDGAFQWSA-N 0 3 314.788 1.920 50 0 DDAAHN Cc1nn(C(C)C)cc1CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000253429257 407447382 /nfs/dbraw/zinc/44/73/82/407447382.db2.gz CHOGAJIGEVFZHR-YOEHRIQHSA-N 0 3 306.454 1.925 50 0 DDAAHN Cc1nc(CCNC(=O)CN2CC[C@@H](N(C)C)C2)sc1C ZINC000218949409 407525708 /nfs/dbraw/zinc/52/57/08/407525708.db2.gz AVKVXHHDFMUXBV-CYBMUJFWSA-N 0 3 310.467 1.055 50 0 DDAAHN COC[C@@H](O)CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000229314170 407658384 /nfs/dbraw/zinc/65/83/84/407658384.db2.gz ICBKLMQPHYBDHC-ZJUUUORDSA-N 0 3 307.316 1.615 50 0 DDAAHN O=C(CN1CCC[C@@H]2CCCC[C@H]21)N[C@H]1CCCCNC1=O ZINC000239762180 407903718 /nfs/dbraw/zinc/90/37/18/407903718.db2.gz CLDMZAGCHQLNIO-SOUVJXGZSA-N 0 3 307.438 1.426 50 0 DDAAHN Cn1cncc1CCC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000242284647 407916456 /nfs/dbraw/zinc/91/64/56/407916456.db2.gz YINLLIUNQHMXNG-IAGOWNOFSA-N 0 3 312.417 1.567 50 0 DDAAHN CCc1nccn1CC(=O)NC[C@@H]1Cc2ccccc2CN1C ZINC000244633579 407927573 /nfs/dbraw/zinc/92/75/73/407927573.db2.gz GFJYZLKZPQYEQF-INIZCTEOSA-N 0 3 312.417 1.618 50 0 DDAAHN COc1ccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cn1 ZINC000244774210 407936980 /nfs/dbraw/zinc/93/69/80/407936980.db2.gz PPPORDLBQVGZJC-OAHLLOKOSA-N 0 3 319.405 1.463 50 0 DDAAHN CN(C[C@@H](O)COCc1ccc2c(c1)OCO2)C[C@H]1CCCO1 ZINC000248137414 408536733 /nfs/dbraw/zinc/53/67/33/408536733.db2.gz SANIAZWXTGUPKP-HUUCEWRRSA-N 0 3 323.389 1.404 50 0 DDAAHN CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1nccn1CC ZINC000252670429 408808976 /nfs/dbraw/zinc/80/89/76/408808976.db2.gz KNYNVTBZUMBJRD-CHWSQXEVSA-N 0 3 314.455 1.053 50 0 DDAAHN CCN1CCC[C@H](NC(=O)[C@H]2CCCN(c3ccccn3)C2)C1 ZINC000249691546 408755087 /nfs/dbraw/zinc/75/50/87/408755087.db2.gz LPAQTRNGWBGYNS-HOTGVXAUSA-N 0 3 316.449 1.899 50 0 DDAAHN CN(C)c1ccc(CC(=O)NCCN2CCC(CO)CC2)cc1 ZINC000299763071 410611992 /nfs/dbraw/zinc/61/19/92/410611992.db2.gz GMNDKWHRQGVRIJ-UHFFFAOYSA-N 0 3 319.449 1.116 50 0 DDAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)c2c[nH]cn2)CC1 ZINC000299785836 410628608 /nfs/dbraw/zinc/62/86/08/410628608.db2.gz OJMRUOFQMGODCA-AWEZNQCLSA-N 0 3 305.426 1.042 50 0 DDAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)c2cnc[nH]2)CC1 ZINC000299785836 410628612 /nfs/dbraw/zinc/62/86/12/410628612.db2.gz OJMRUOFQMGODCA-AWEZNQCLSA-N 0 3 305.426 1.042 50 0 DDAAHN CCN1CCC[C@H]1CNC(=O)Nc1cccc(-n2cncn2)c1 ZINC000299792090 410631398 /nfs/dbraw/zinc/63/13/98/410631398.db2.gz GOHBLCLBVXWLOX-HNNXBMFYSA-N 0 3 314.393 1.873 50 0 DDAAHN Cc1cc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)ccc1F ZINC000241969568 222212276 /nfs/dbraw/zinc/21/22/76/222212276.db2.gz UXNQCWKFFXWZNA-ZDUSSCGKSA-N 0 3 312.410 1.993 50 0 DDAAHN CCN1CC[C@@H](NC(=O)Cc2csc(-c3ccccn3)n2)C1 ZINC000408520902 418807832 /nfs/dbraw/zinc/80/78/32/418807832.db2.gz APWQNCVYPCNHLG-GFCCVEGCSA-N 0 3 316.430 1.958 50 0 DDAAHN C[C@H](C(=O)NCCc1cccs1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000408524910 418809221 /nfs/dbraw/zinc/80/92/21/418809221.db2.gz YMKKLHSAWZBCMT-NEPJUHHUSA-N 0 3 319.434 1.403 50 0 DDAAHN O=C(NCCc1c[nH]cn1)N1CCN(C2CCCCC2)CC1 ZINC000426397628 419456666 /nfs/dbraw/zinc/45/66/66/419456666.db2.gz SYMVKHQWZGCQOJ-UHFFFAOYSA-N 0 3 305.426 1.612 50 0 DDAAHN O=C(NCCc1cnc[nH]1)N1CCN(C2CCCCC2)CC1 ZINC000426397628 419456674 /nfs/dbraw/zinc/45/66/74/419456674.db2.gz SYMVKHQWZGCQOJ-UHFFFAOYSA-N 0 3 305.426 1.612 50 0 DDAAHN COc1ccc(CNC(=O)N(C)[C@H]2CCN(C)C2)c(OC)c1 ZINC000426730438 419539593 /nfs/dbraw/zinc/53/95/93/419539593.db2.gz QIPUAQOQWGHPBJ-ZDUSSCGKSA-N 0 3 307.394 1.549 50 0 DDAAHN Cc1cccc(N2CCN(C[C@@H]3CCC4(CNC4)O3)CC2)c1 ZINC000662261189 424522438 /nfs/dbraw/zinc/52/24/38/424522438.db2.gz UJIOUWQKZAXEHA-KRWDZBQOSA-N 0 3 301.434 1.638 50 0 DDAAHN CC1CCN(C[C@H](O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000058381016 273599635 /nfs/dbraw/zinc/59/96/35/273599635.db2.gz DYHJWGGTSIULJN-SOUVJXGZSA-N 0 3 306.406 1.030 50 0 DDAAHN c1cnc(N2CCC[C@@H](NCc3cccc4c3OCO4)C2)nc1 ZINC000042797446 275073582 /nfs/dbraw/zinc/07/35/82/275073582.db2.gz MPODMOHOUKEYSH-CQSZACIVSA-N 0 3 312.373 1.964 50 0 DDAAHN Cc1nc2c(c(N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)n1)CCC2 ZINC000219122721 282014202 /nfs/dbraw/zinc/01/42/02/282014202.db2.gz WGCQFYWHVZALKW-XLNGHYISSA-N 0 3 314.433 1.937 50 0 DDAAHN CCc1nccn1C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000534645425 334306942 /nfs/dbraw/zinc/30/69/42/334306942.db2.gz VHNFIZPCCUHJFN-GFCCVEGCSA-N 0 3 311.393 1.804 50 0 DDAAHN NC(=O)c1cc(NC[C@@H](c2cccs2)N2CCCC2)ncn1 ZINC000585092661 483920845 /nfs/dbraw/zinc/92/08/45/483920845.db2.gz IPXCAVALHXBMHM-LBPRGKRZSA-N 0 3 317.418 1.886 50 0 DDAAHN Cc1cc(C)n(C[C@H](C)NCc2nnc(-c3ccncc3)[nH]2)n1 ZINC000670448710 484836124 /nfs/dbraw/zinc/83/61/24/484836124.db2.gz FXVHXCSPUXFDAN-LBPRGKRZSA-N 0 3 311.393 1.858 50 0 DDAAHN Cc1nncn1CCN1CCC(c2nc(C(C)C)no2)CC1 ZINC000670458864 484842673 /nfs/dbraw/zinc/84/26/73/484842673.db2.gz CISSZOQMFSVMMB-UHFFFAOYSA-N 0 3 304.398 1.973 50 0 DDAAHN COCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([O-])cc2C)C1 ZINC000219289949 545651201 /nfs/dbraw/zinc/65/12/01/545651201.db2.gz ZHCUJGQFLXGBFU-AWEZNQCLSA-N 0 3 306.406 1.789 50 0 DDAAHN COCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc([O-])cc2C)C1 ZINC000219289949 545651214 /nfs/dbraw/zinc/65/12/14/545651214.db2.gz ZHCUJGQFLXGBFU-AWEZNQCLSA-N 0 3 306.406 1.789 50 0 DDAAHN Cc1cc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)n[nH]1 ZINC000039485651 696137463 /nfs/dbraw/zinc/13/74/63/696137463.db2.gz HAPAKZTZGJUDLV-GOSISDBHSA-N 0 3 314.433 1.787 50 0 DDAAHN Cc1nc2c(c(N[C@H](C)c3cnn(C)c3)n1)CCN(C)CC2 ZINC000065499734 696345433 /nfs/dbraw/zinc/34/54/33/696345433.db2.gz IGDLOROQILTLKY-LLVKDONJSA-N 0 3 300.410 1.722 50 0 DDAAHN CC(C)CN1CCN(Cc2nncn2C(C)C)C[C@@H]1CCO ZINC000252482325 698402793 /nfs/dbraw/zinc/40/27/93/698402793.db2.gz DCZHGYVZCDNVDF-HNNXBMFYSA-N 0 3 309.458 1.384 50 0 DDAAHN Cc1nn(C)c(C)c1[C@H](N)C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000958527654 716612419 /nfs/dbraw/zinc/61/24/19/716612419.db2.gz CRXLOKISCBPFCN-LBPRGKRZSA-N 0 3 310.398 1.019 50 0 DDAAHN Cc1cc(N)n(CC(=O)NCCN(C)CCc2ccccc2)n1 ZINC000952965209 721528752 /nfs/dbraw/zinc/52/87/52/721528752.db2.gz FWIPENZXMPACQD-UHFFFAOYSA-N 0 3 315.421 1.064 50 0 DDAAHN Cc1nnc([C@H](C)NC2CCN(C(=O)c3cccnc3)CC2)[nH]1 ZINC000822275535 758197463 /nfs/dbraw/zinc/19/74/63/758197463.db2.gz DNUDAEFMMURDBA-NSHDSACASA-N 0 3 314.393 1.464 50 0 DDAAHN Clc1cnc(C[C@@H]2CC[C@H](CN3CCCOCC3)O2)nc1 ZINC000952854461 775580772 /nfs/dbraw/zinc/58/07/72/775580772.db2.gz MORIHTOTLNXCKD-UONOGXRCSA-N 0 3 311.813 1.942 50 0 DDAAHN CCN1CCC[C@@H]1CNC(=O)c1ccccc1-n1nnnc1C ZINC000095474773 185373367 /nfs/dbraw/zinc/37/33/67/185373367.db2.gz XMEQIMNYOLAJLK-CYBMUJFWSA-N 0 3 314.393 1.185 50 0 DDAAHN CO[C@H](C(=O)N(C)CCCN1CCN(C)CC1)c1ccccc1 ZINC000078914848 185128768 /nfs/dbraw/zinc/12/87/68/185128768.db2.gz ADECEJDPJHLMPD-KRWDZBQOSA-N 0 3 319.449 1.470 50 0 DDAAHN C[C@H](CO)N1CCCN(c2ccc(OC(F)F)cn2)CC1 ZINC000328588033 231232012 /nfs/dbraw/zinc/23/20/12/231232012.db2.gz LPNSJFHCIXSAEI-LLVKDONJSA-N 0 3 301.337 1.576 50 0 DDAAHN CCN(Cc1cccc(OCC(N)=O)c1)C[C@H]1CCCCO1 ZINC000215724452 539264278 /nfs/dbraw/zinc/26/42/78/539264278.db2.gz OGFNMGSPQWKUMC-MRXNPFEDSA-N 0 3 306.406 1.942 50 0 DDAAHN CCN1CCN([C@@H]2CCN(CCOc3ccc(F)cc3)C2)CC1 ZINC000089977311 185273063 /nfs/dbraw/zinc/27/30/63/185273063.db2.gz YCZIEKXXCRMMEY-QGZVFWFLSA-N 0 3 321.440 1.916 50 0 DDAAHN CSc1nc(C(=O)NCc2cc3n(n2)CCCNC3)cs1 ZINC000082135639 192361249 /nfs/dbraw/zinc/36/12/49/192361249.db2.gz PWQHMZUMJXETTP-UHFFFAOYSA-N 0 3 323.447 1.485 50 0 DDAAHN COc1ncnc(N)c1CNCCc1ccc(-n2cccn2)cc1 ZINC000083915176 192390331 /nfs/dbraw/zinc/39/03/31/192390331.db2.gz OLUMXFJKETZPNB-UHFFFAOYSA-N 0 3 324.388 1.585 50 0 DDAAHN COCCCN(C(=O)c1ccnc(N)c1)C1CCN(C)CC1 ZINC000072140491 191047445 /nfs/dbraw/zinc/04/74/45/191047445.db2.gz KWIVCPDZAFCYHD-UHFFFAOYSA-N 0 3 306.410 1.237 50 0 DDAAHN O=C1NC[C@@]2(CCCN(Cc3ccc4nonc4c3)CC2)O1 ZINC000072164596 191065712 /nfs/dbraw/zinc/06/57/12/191065712.db2.gz SVDVQXDAIYPPPX-HNNXBMFYSA-N 0 3 302.334 1.687 50 0 DDAAHN Cn1c2ccc(CN3CCC[C@H](CC(N)=O)C3)cc2oc1=O ZINC000225639310 186286426 /nfs/dbraw/zinc/28/64/26/186286426.db2.gz VBAHUVIQTOWZQE-LLVKDONJSA-N 0 3 303.362 1.219 50 0 DDAAHN CC(C)N1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072447274 191168573 /nfs/dbraw/zinc/16/85/73/191168573.db2.gz OBJHMJSPLMDKBD-CQSZACIVSA-N 0 3 321.469 1.360 50 0 DDAAHN COc1cc([C@H](C)N[C@@H]2CCC[C@H]2O)ccc1S(C)(=O)=O ZINC000246330240 354359032 /nfs/dbraw/zinc/35/90/32/354359032.db2.gz GBIFKBDPJRALQC-CYZMBNFOSA-N 0 3 313.419 1.663 50 0 DDAAHN CN(C)[C@H]1CCN(CC(=O)N2CCCC3(CCOCC3)C2)C1 ZINC000584900296 354799818 /nfs/dbraw/zinc/79/98/18/354799818.db2.gz UNKJANOWFRLDTC-HNNXBMFYSA-N 0 3 309.454 1.042 50 0 DDAAHN Cn1nccc1C1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000237677916 202327587 /nfs/dbraw/zinc/32/75/87/202327587.db2.gz LZDHRGFGFKRTGT-MRXNPFEDSA-N 0 3 312.417 1.696 50 0 DDAAHN O=S(=O)(N[C@H]1CCCNC1)c1ccccc1OC(F)F ZINC000193353026 201036546 /nfs/dbraw/zinc/03/65/46/201036546.db2.gz LXPHWVXBYOBNKT-VIFPVBQESA-N 0 3 306.334 1.318 50 0 DDAAHN CCCn1ccnc1CN1CCN(C)[C@]2(C1)CCNC(=O)CC2 ZINC000091461820 193059449 /nfs/dbraw/zinc/05/94/49/193059449.db2.gz VFXLXBOBGBLQHS-KRWDZBQOSA-N 0 3 319.453 1.079 50 0 DDAAHN Cc1cc(NCCn2nc(-c3ccccc3)ccc2=O)nc(N)n1 ZINC000092037146 193144436 /nfs/dbraw/zinc/14/44/36/193144436.db2.gz MQXBXWYAAAQQEE-UHFFFAOYSA-N 0 3 322.372 1.703 50 0 DDAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)c2ccc[nH]2)CC1 ZINC000223685700 201653085 /nfs/dbraw/zinc/65/30/85/201653085.db2.gz MPWVYGJEYDGWQZ-HNNXBMFYSA-N 0 3 304.438 1.647 50 0 DDAAHN NC[C@H](NC(=O)C[C@H]1COCCN1)c1ccc2ccccc2c1 ZINC000262323727 203260502 /nfs/dbraw/zinc/26/05/02/203260502.db2.gz FRUZVUVRLBNJKE-IRXDYDNUSA-N 0 3 313.401 1.334 50 0 DDAAHN O=C(CCN1CCC2(CC1)OCCC[C@@H]2O)Nc1cccnc1 ZINC000095383247 193440886 /nfs/dbraw/zinc/44/08/86/193440886.db2.gz UCAZUFHFNKBXRC-HNNXBMFYSA-N 0 3 319.405 1.416 50 0 DDAAHN CN1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO ZINC000020201929 182196851 /nfs/dbraw/zinc/19/68/51/182196851.db2.gz FYNUICFBBFASPD-KRWDZBQOSA-N 0 3 300.406 1.371 50 0 DDAAHN CCN1CCN(Cc2cc(=O)oc3c(C)c(O)ccc23)CC1 ZINC000020503929 182224876 /nfs/dbraw/zinc/22/48/76/182224876.db2.gz GNKVVVUDJXKLPD-UHFFFAOYSA-N 0 3 302.374 1.945 50 0 DDAAHN COc1cc(CN2CCN(C(C)C)C[C@@H]2CCO)cc(OC)c1 ZINC000023373342 182358296 /nfs/dbraw/zinc/35/82/96/182358296.db2.gz YITRIZGXDCPIGT-INIZCTEOSA-N 0 3 322.449 1.981 50 0 DDAAHN Cc1ccc(-n2cccn2)c(CN2CCN(C)[C@H](CCO)C2)c1 ZINC000039420593 183018401 /nfs/dbraw/zinc/01/84/01/183018401.db2.gz KWLZVVRBXFCFEE-QGZVFWFLSA-N 0 3 314.433 1.679 50 0 DDAAHN Cc1nn(-c2ccccc2)nc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000040522471 183091690 /nfs/dbraw/zinc/09/16/90/183091690.db2.gz SJERAPMFFMTARZ-CYBMUJFWSA-N 0 3 313.405 1.790 50 0 DDAAHN C[C@H]1CCCCN1CCNC(=O)CCNC(=O)c1ccsc1 ZINC000040534272 183094788 /nfs/dbraw/zinc/09/47/88/183094788.db2.gz BJHISWOXCRTEKE-ZDUSSCGKSA-N 0 3 323.462 1.859 50 0 DDAAHN CCN1CCN(CCCNC(=O)c2ccc(N(C)C)cc2)CC1 ZINC000041567742 183204800 /nfs/dbraw/zinc/20/48/00/183204800.db2.gz XCOQXJDTTMUMBI-UHFFFAOYSA-N 0 3 318.465 1.510 50 0 DDAAHN Cc1nn(C)c(C)c1CN[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802431 194132843 /nfs/dbraw/zinc/13/28/43/194132843.db2.gz YQEMOXJDVYRPBV-CQSZACIVSA-N 0 3 300.410 1.586 50 0 DDAAHN COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCC(c3nc(C)cs3)CC2)C1 ZINC000110668340 194347919 /nfs/dbraw/zinc/34/79/19/194347919.db2.gz NUULIFSCPNKZOH-BFHYXJOUSA-N 0 3 324.446 1.943 50 0 DDAAHN COCCN1CCC(NC(=O)CN(C)Cc2ccccc2)CC1 ZINC000058265022 184095879 /nfs/dbraw/zinc/09/58/79/184095879.db2.gz YURLLUVSOHLSLF-UHFFFAOYSA-N 0 3 319.449 1.345 50 0 DDAAHN COCCN1CCC(NC(=O)/C=C/c2csc(C)n2)CC1 ZINC000058323342 184104512 /nfs/dbraw/zinc/10/45/12/184104512.db2.gz MNGLWLPIHHYTDC-ONEGZZNKSA-N 0 3 309.435 1.692 50 0 DDAAHN Cc1nn(C)c(C)c1CC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000060555042 184151838 /nfs/dbraw/zinc/15/18/38/184151838.db2.gz QHFFNWNAKHZLNP-CHWSQXEVSA-N 0 3 306.454 1.816 50 0 DDAAHN CN1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000065439637 184345657 /nfs/dbraw/zinc/34/56/57/184345657.db2.gz OZDOMNHJMDEGJC-OAHLLOKOSA-N 0 3 320.437 1.764 50 0 DDAAHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000155503797 197061166 /nfs/dbraw/zinc/06/11/66/197061166.db2.gz FZWGJJHRAVNHMT-HIFRSBDPSA-N 0 3 313.405 1.726 50 0 DDAAHN CCOc1ccc([C@@]2(C)NC(=O)N(CCN(C)C)C2=O)cc1 ZINC000003683885 257267425 /nfs/dbraw/zinc/26/74/25/257267425.db2.gz CTEFURXZJGDQNP-MRXNPFEDSA-N 0 3 305.378 1.414 50 0 DDAAHN CCc1nc2n(n1)C[C@@H](NCc1ccc3c(c1)OCCO3)CC2 ZINC000069621247 184826990 /nfs/dbraw/zinc/82/69/90/184826990.db2.gz UZZKVHXUSBBNAJ-ZDUSSCGKSA-N 0 3 314.389 1.716 50 0 DDAAHN COc1ccc(OC)c(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1 ZINC000253398582 286342490 /nfs/dbraw/zinc/34/24/90/286342490.db2.gz ZUQMQBQYMYFQQF-UONOGXRCSA-N 0 3 308.422 1.591 50 0 DDAAHN c1ncn(C[C@@H]2CCCN2Cc2ccc3c(c2)OCCO3)n1 ZINC000069621561 406745325 /nfs/dbraw/zinc/74/53/25/406745325.db2.gz UKOQCZUUVXUWNB-AWEZNQCLSA-N 0 3 300.362 1.714 50 0 DDAAHN CC(C)(C)[C@H](O)CN1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000069652621 406751775 /nfs/dbraw/zinc/75/17/75/406751775.db2.gz QBICFRYJRGNHBE-MRXNPFEDSA-N 0 3 319.449 1.310 50 0 DDAAHN COCCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1OC ZINC000069462546 406717894 /nfs/dbraw/zinc/71/78/94/406717894.db2.gz SKMIMFSHUJBGPO-CVEARBPZSA-N 0 3 320.433 1.883 50 0 DDAAHN CCN(CC)c1ncc(CNC[C@H]2CN(CC)CCO2)s1 ZINC000070040063 406807193 /nfs/dbraw/zinc/80/71/93/406807193.db2.gz WZNSCIKFEYOZQV-ZDUSSCGKSA-N 0 3 312.483 1.800 50 0 DDAAHN Cc1cnn(C[C@H](C)NCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000070040881 406807411 /nfs/dbraw/zinc/80/74/11/406807411.db2.gz POIBWGUYTLAHIE-AWEZNQCLSA-N 0 3 311.389 1.686 50 0 DDAAHN O=C1N(CC2CCCCC2)CCC[C@]1(O)CN1CCC(O)CC1 ZINC000011818523 406830265 /nfs/dbraw/zinc/83/02/65/406830265.db2.gz HMWYWIMJDQLPTB-SFHVURJKSA-N 0 3 324.465 1.377 50 0 DDAAHN COc1ccccc1OCCN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000071864561 406855190 /nfs/dbraw/zinc/85/51/90/406855190.db2.gz WSLVAZXEMKHPCI-HUUCEWRRSA-N 0 3 308.422 1.461 50 0 DDAAHN Cc1nc(CN2CCC[C@H](N(C)C[C@@H]3CCCCO3)C2)no1 ZINC000071870485 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ZINC000086250217 407109378 /nfs/dbraw/zinc/10/93/78/407109378.db2.gz LDPAHCBTSYMCKG-UHFFFAOYSA-N 0 3 312.797 1.720 50 0 DDAAHN CN(Cc1cc(=O)n2ccccc2n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000096419641 407262987 /nfs/dbraw/zinc/26/29/87/407262987.db2.gz OALGXHDSXGXWEY-XYPHTWIQSA-N 0 3 313.401 1.940 50 0 DDAAHN CC(C)N(CCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000055291420 407200974 /nfs/dbraw/zinc/20/09/74/407200974.db2.gz GKPBOUBJULFAOC-OKILXGFUSA-N 0 3 321.487 1.049 50 0 DDAAHN CCc1cc(N2CCC([C@@H](C)N3CCOCC3)CC2)ncn1 ZINC000095374267 407211196 /nfs/dbraw/zinc/21/11/96/407211196.db2.gz DXADUXKQZUJBJA-CQSZACIVSA-N 0 3 304.438 1.976 50 0 DDAAHN COCCC(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095384007 407212504 /nfs/dbraw/zinc/21/25/04/407212504.db2.gz OBJZGTBYUBXBDK-AWEZNQCLSA-N 0 3 308.426 1.187 50 0 DDAAHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CCN(C)C(=O)C2)o1 ZINC000095954486 407216679 /nfs/dbraw/zinc/21/66/79/407216679.db2.gz ZFHPNWNJYLIPLQ-AWEZNQCLSA-N 0 3 321.421 1.347 50 0 DDAAHN 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C[C@@H](NCC(=O)NCC(F)(F)F)[C@H]1COc2ccccc21 ZINC000097112671 407281145 /nfs/dbraw/zinc/28/11/45/407281145.db2.gz NLCJCPRIDRUGHA-MWLCHTKSSA-N 0 3 302.296 1.819 50 0 DDAAHN Cc1nc(CN)cc(NC[C@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC000067740312 407282557 /nfs/dbraw/zinc/28/25/57/407282557.db2.gz LOGREJPTTYGCSR-GFCCVEGCSA-N 0 3 303.410 1.304 50 0 DDAAHN CC[C@H](C)[C@H](N)C(=O)N1CCN(c2ccncc2Cl)CC1 ZINC000097234186 407289728 /nfs/dbraw/zinc/28/97/28/407289728.db2.gz YIXUCHIXXJXTNU-FZMZJTMJSA-N 0 3 310.829 1.757 50 0 DDAAHN CN1CCC(n2nc([C@H]3CCOC3)nc2-c2ncc[nH]2)CC1 ZINC000097674078 407301351 /nfs/dbraw/zinc/30/13/51/407301351.db2.gz QEDSBWNCOYTYPR-NSHDSACASA-N 0 3 302.382 1.439 50 0 DDAAHN O=C(c1ccc(CN2CCCC2)cc1)N1CCS(=O)(=O)CC1 ZINC000097758056 407302428 /nfs/dbraw/zinc/30/24/28/407302428.db2.gz JCFVWGNXUWEYNK-UHFFFAOYSA-N 0 3 322.430 1.153 50 0 DDAAHN COc1ccc(CN2CC[C@H](N3CCN(C)CC3)C2)c(F)c1 ZINC000097813874 407303173 /nfs/dbraw/zinc/30/31/73/407303173.db2.gz IINMDFKJGWIQKR-HNNXBMFYSA-N 0 3 307.413 1.656 50 0 DDAAHN CNC(=O)C[C@@H](C)N(C)Cc1cnn(-c2ccccc2OC)c1 ZINC000215167947 407479243 /nfs/dbraw/zinc/47/92/43/407479243.db2.gz KFGFJWLYCSPHSQ-CYBMUJFWSA-N 0 3 316.405 1.837 50 0 DDAAHN CCc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)[nH]1 ZINC000219922164 407535731 /nfs/dbraw/zinc/53/57/31/407535731.db2.gz QMRTZHNNZNAHNA-CABCVRRESA-N 0 3 309.410 1.043 50 0 DDAAHN COCCNCCNC(=O)c1cc(Br)ccc1F ZINC000152288237 407602827 /nfs/dbraw/zinc/60/28/27/407602827.db2.gz ZFTWSPNYLFHRAM-UHFFFAOYSA-N 0 3 319.174 1.554 50 0 DDAAHN CCN1C[C@H](NS(=O)(=O)c2c[nH]c3ncccc23)[C@@H](C)C1 ZINC000229310696 407658442 /nfs/dbraw/zinc/65/84/42/407658442.db2.gz NEWWYBBLMDJHST-JQWIXIFHSA-N 0 3 308.407 1.181 50 0 DDAAHN CC[N@H+]1C[C@H](NS(=O)(=O)c2c[n-]c3ncccc23)[C@@H](C)C1 ZINC000229310696 407658447 /nfs/dbraw/zinc/65/84/47/407658447.db2.gz NEWWYBBLMDJHST-JQWIXIFHSA-N 0 3 308.407 1.181 50 0 DDAAHN CC[N@@H+]1C[C@H](NS(=O)(=O)c2c[n-]c3ncccc23)[C@@H](C)C1 ZINC000229310696 407658449 /nfs/dbraw/zinc/65/84/49/407658449.db2.gz NEWWYBBLMDJHST-JQWIXIFHSA-N 0 3 308.407 1.181 50 0 DDAAHN COc1ccccc1-c1csc(NC(=O)[C@H]2C[C@@H](O)CN2)n1 ZINC000151248376 408284484 /nfs/dbraw/zinc/28/44/84/408284484.db2.gz LRCRXIRGQQHWIR-MWLCHTKSSA-N 0 3 319.386 1.480 50 0 DDAAHN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000246812229 408345972 /nfs/dbraw/zinc/34/59/72/408345972.db2.gz BVFHMYIINSAVTH-MGPQQGTHSA-N 0 3 304.456 1.204 50 0 DDAAHN O[C@@H](COc1ccccc1)CN1CCCC[C@H]1Cn1cncn1 ZINC000247732644 408506616 /nfs/dbraw/zinc/50/66/16/408506616.db2.gz HYWXHJQHKHJREM-JKSUJKDBSA-N 0 3 316.405 1.573 50 0 DDAAHN C[C@@H]1CN(CCN2CCC(N3CCCCC3=O)CC2)CCO1 ZINC000192759639 408643829 /nfs/dbraw/zinc/64/38/29/408643829.db2.gz NWHAKIBXDUAJOQ-OAHLLOKOSA-N 0 3 309.454 1.184 50 0 DDAAHN C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1cccc(F)c1F ZINC000252666330 408807603 /nfs/dbraw/zinc/80/76/03/408807603.db2.gz BDPIKQRDMSKWOU-GXFFZTMASA-N 0 3 318.389 1.724 50 0 DDAAHN CSCC[C@H](N)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000168305178 408818657 /nfs/dbraw/zinc/81/86/57/408818657.db2.gz QJBPYKQTGHXUSR-QWHCGFSZSA-N 0 3 310.467 1.781 50 0 DDAAHN CC(C)C(=O)NC[C@@H]1CCCN(C[C@](C)(O)C(F)(F)F)C1 ZINC000330375935 410655294 /nfs/dbraw/zinc/65/52/94/410655294.db2.gz DCCIITHBSBVKPL-AAEUAGOBSA-N 0 3 310.360 1.784 50 0 DDAAHN Cc1cc(=O)n2nc(NC[C@H]3CCN(C4CC4)C3)sc2n1 ZINC000044933858 418433923 /nfs/dbraw/zinc/43/39/23/418433923.db2.gz FBZHAZLYPBTJKR-SNVBAGLBSA-N 0 3 305.407 1.356 50 0 DDAAHN O=C1CCCN1[C@@H]1CCCN([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000108376087 418499420 /nfs/dbraw/zinc/49/94/20/418499420.db2.gz YBDMJDADSYGHAQ-KYJSFNMBSA-N 0 3 300.402 1.732 50 0 DDAAHN CN1CCN2CCN(Cc3cnc(-c4ccccc4)nc3)C[C@H]2C1 ZINC000252587342 222246167 /nfs/dbraw/zinc/24/61/67/222246167.db2.gz XPDPXZRROHCLSR-GOSISDBHSA-N 0 3 323.444 1.575 50 0 DDAAHN CO[C@]1(C)C[C@H](N[C@H]2CCCN(c3ccn(C)n3)C2=O)C1(C)C ZINC000253370861 222248923 /nfs/dbraw/zinc/24/89/23/222248923.db2.gz XJJCOSZJNMIIAZ-GDZNZVCISA-N 0 3 320.437 1.709 50 0 DDAAHN Cc1cccc(CNC(=O)CN2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000408518938 418806747 /nfs/dbraw/zinc/80/67/47/418806747.db2.gz LINZDHDXQGOJQS-DLBZAZTESA-N 0 3 301.434 1.780 50 0 DDAAHN CC(=O)N1CCC(N2CCC[C@@H](c3ccn(CCO)n3)C2)CC1 ZINC000426414651 419464856 /nfs/dbraw/zinc/46/48/56/419464856.db2.gz NYLMRCJYHHFXJC-OAHLLOKOSA-N 0 3 320.437 1.066 50 0 DDAAHN O=C(c1nc2ccccc2[nH]1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000426541684 419501675 /nfs/dbraw/zinc/50/16/75/419501675.db2.gz VPBPOKIMHYEYKH-GJZGRUSLSA-N 0 3 314.389 1.234 50 0 DDAAHN CCN1CCC[C@H]1CNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000057793472 276186722 /nfs/dbraw/zinc/18/67/22/276186722.db2.gz SKQVKKZEYMIORS-NSHDSACASA-N 0 3 318.377 1.049 50 0 DDAAHN CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000065403938 279032512 /nfs/dbraw/zinc/03/25/12/279032512.db2.gz XRBJCPFDRSZUCQ-LBPRGKRZSA-N 0 3 323.824 1.761 50 0 DDAAHN CC(C)[C@@H](CNC(=O)c1cccc[n+]1[O-])N1CCC(C)CC1 ZINC000052822801 279851178 /nfs/dbraw/zinc/85/11/78/279851178.db2.gz AASRNSLISGNDFW-MRXNPFEDSA-N 0 3 305.422 1.806 50 0 DDAAHN CC[C@@H](C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21)N(C)C ZINC000095441654 280082402 /nfs/dbraw/zinc/08/24/02/280082402.db2.gz XFGFCVPZGHQHRA-GJZGRUSLSA-N 0 3 303.406 1.941 50 0 DDAAHN C[C@H](O)CN1CCN(CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC000106869444 290112547 /nfs/dbraw/zinc/11/25/47/290112547.db2.gz VNEGAGCMQMUXFN-GJZGRUSLSA-N 0 3 311.470 1.212 50 0 DDAAHN CC1(C)Cc2cc(CNC(=O)C[C@H]3CNCCO3)ccc2O1 ZINC000534580345 334288889 /nfs/dbraw/zinc/28/88/89/334288889.db2.gz KIZLFZVDXKHGGK-AWEZNQCLSA-N 0 3 304.390 1.395 50 0 DDAAHN O=C(NCCCn1cccc1)N1CCN(c2ccncc2)CC1 ZINC000534644874 334306685 /nfs/dbraw/zinc/30/66/85/334306685.db2.gz QSFLYFZRXKDVEV-UHFFFAOYSA-N 0 3 313.405 1.805 50 0 DDAAHN CCOC(=O)c1cnc(N(C)[C@@H]2CCN(C)[C@H](C)C2)nc1C ZINC000096496065 337382463 /nfs/dbraw/zinc/38/24/63/337382463.db2.gz RMMACSGSSYIEAY-DGCLKSJQSA-N 0 3 306.410 1.881 50 0 DDAAHN CN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)CC1CC1 ZINC000077194408 483962750 /nfs/dbraw/zinc/96/27/50/483962750.db2.gz XTJZYJHKRJVOEY-UHFFFAOYSA-N 0 3 324.446 1.549 50 0 DDAAHN COCCN1C[C@H](NC(=O)c2csc(C)n2)[C@@H](C2CC2)C1 ZINC000091451928 484011848 /nfs/dbraw/zinc/01/18/48/484011848.db2.gz RIHQJFSXEWQLGV-OLZOCXBDSA-N 0 3 309.435 1.538 50 0 DDAAHN Cc1cccc(CC(=O)N2CCC[C@@](CO)(CN(C)C)C2)c1 ZINC000216094049 484140513 /nfs/dbraw/zinc/14/05/13/484140513.db2.gz SWASIOGCGKUZKT-GOSISDBHSA-N 0 3 304.434 1.700 50 0 DDAAHN O[C@H]1CN(c2ncccc2C(F)(F)F)C[C@@H]1N1CCCC1 ZINC000670454161 484839626 /nfs/dbraw/zinc/83/96/26/484839626.db2.gz FWWWNCXPYSHUOD-RYUDHWBXSA-N 0 3 301.312 1.746 50 0 DDAAHN Cc1nc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)nc2c1CCCC2 ZINC000670469604 484848694 /nfs/dbraw/zinc/84/86/94/484848694.db2.gz PQXMGIRDAIPQBG-IRXDYDNUSA-N 0 3 316.449 1.699 50 0 DDAAHN Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@H](O)CN ZINC000067974825 696366026 /nfs/dbraw/zinc/36/60/26/696366026.db2.gz APSMWQOWEIONBT-CQSZACIVSA-N 0 3 315.373 1.427 50 0 DDAAHN CC(C)(C)OC(=O)N1CCC(O)([C@@H](N)c2cncnc2)CC1 ZINC000958528153 716612351 /nfs/dbraw/zinc/61/23/51/716612351.db2.gz KCRZHMXNHULUHF-LBPRGKRZSA-N 0 3 308.382 1.238 50 0 DDAAHN COc1ccc(F)c(F)c1CNCCN1CCCC[C@@H]1CO ZINC000952966616 721528647 /nfs/dbraw/zinc/52/86/47/721528647.db2.gz VOYPTVPKGDFROF-GFCCVEGCSA-N 0 3 314.376 1.910 50 0 DDAAHN CCS(=O)(=O)NC[C@@H](C)NCc1ccccc1-n1ccnc1 ZINC000952970275 721529435 /nfs/dbraw/zinc/52/94/35/721529435.db2.gz HWIZJYPARDMRJY-CYBMUJFWSA-N 0 3 322.434 1.290 50 0 DDAAHN CCS(=O)(=O)NC[C@@H](C)NCc1ccc2nsnc2c1 ZINC000823412721 758312920 /nfs/dbraw/zinc/31/29/20/758312920.db2.gz MALLBRBITIBNDR-SECBINFHSA-N 0 3 314.436 1.109 50 0 DDAAHN Cc1nn(C)c2nc(NCCN3CCN(C(C)C)CC3)sc12 ZINC000095512829 185376422 /nfs/dbraw/zinc/37/64/22/185376422.db2.gz SJZMGUDNXCKLCR-UHFFFAOYSA-N 0 3 322.482 1.776 50 0 DDAAHN CCCS(=O)(=O)CCN[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000089960360 185271996 /nfs/dbraw/zinc/27/19/96/185271996.db2.gz OASIHACFBKNKJA-UKRRQHHQSA-N 0 3 305.484 1.978 50 0 DDAAHN C/C=C/C=C/C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000095446277 185367470 /nfs/dbraw/zinc/36/74/70/185367470.db2.gz CBHBPRYNLKHJGR-PZZNQTFXSA-N 0 3 300.402 1.870 50 0 DDAAHN Cc1cocc1C(=O)N1Cc2nnc(C)n2C[C@H]1CN(C)C ZINC000685943219 539567867 /nfs/dbraw/zinc/56/78/67/539567867.db2.gz TYAUSPFOSDXDDW-GFCCVEGCSA-N 0 3 303.366 1.074 50 0 DDAAHN CC(C)[NH+]1CCC(c2nccn2CCCc2nnn[n-]2)CC1 ZINC000072174238 191071471 /nfs/dbraw/zinc/07/14/71/191071471.db2.gz NZGJSGPFQBBETM-UHFFFAOYSA-N 0 3 303.414 1.617 50 0 DDAAHN CC(C)[NH+]1CCC(c2nccn2CCCc2nn[n-]n2)CC1 ZINC000072174238 191071473 /nfs/dbraw/zinc/07/14/73/191071473.db2.gz NZGJSGPFQBBETM-UHFFFAOYSA-N 0 3 303.414 1.617 50 0 DDAAHN Cc1ccc([C@@H](C)NC(=O)CNCCn2cccn2)cc1C ZINC000072267840 191090811 /nfs/dbraw/zinc/09/08/11/191090811.db2.gz OCZWYNHWJKZFJO-OAHLLOKOSA-N 0 3 300.406 1.967 50 0 DDAAHN C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c21 ZINC000003940873 290933230 /nfs/dbraw/zinc/93/32/30/290933230.db2.gz QSKQVZWVLOIIEV-NSHDSACASA-N 0 3 323.393 1.746 50 0 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COc1cccc(CN[C@@H](CC(N)=O)C2CCOCC2)c1OC ZINC000095452884 185369605 /nfs/dbraw/zinc/36/96/05/185369605.db2.gz ZNKXNFGSLVVOIV-AWEZNQCLSA-N 0 3 322.405 1.464 50 0 DDAAHN Cc1cnn(C[C@H](C)NCC(=O)NCCOc2ccccc2)c1 ZINC000069773841 190815617 /nfs/dbraw/zinc/81/56/17/190815617.db2.gz FLTNHFAUXTUBMA-HNNXBMFYSA-N 0 3 316.405 1.365 50 0 DDAAHN CN(C)C[C@@]1(O)CCCN(C(=O)CCOc2ccccc2)C1 ZINC000072127203 191042826 /nfs/dbraw/zinc/04/28/26/191042826.db2.gz ZAKNQUGGJASVBP-KRWDZBQOSA-N 0 3 306.406 1.371 50 0 DDAAHN CN(C)C[C@]1(O)CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000072146004 191053489 /nfs/dbraw/zinc/05/34/89/191053489.db2.gz IMDKLIGNSIMOGG-GOSISDBHSA-N 0 3 315.417 1.626 50 0 DDAAHN OC[C@@]1(O)CCCN(Cc2ccccc2Cn2cccn2)C1 ZINC000072463849 191174506 /nfs/dbraw/zinc/17/45/06/191174506.db2.gz SELYQPSVSQWNNN-QGZVFWFLSA-N 0 3 301.390 1.251 50 0 DDAAHN CO[C@@]1(C)C[C@@H](NC(=O)Nc2ccn(CCN(C)C)n2)C1(C)C ZINC000072559928 191193736 /nfs/dbraw/zinc/19/37/36/191193736.db2.gz JIABGUSRUWAIQX-WBMJQRKESA-N 0 3 323.441 1.770 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C[C@@H](NCc1cnc(N2CCOCC2)nc1)[C@@H](C)n1cccn1 ZINC000069372564 406702342 /nfs/dbraw/zinc/70/23/42/406702342.db2.gz SHVAQJFCUQBIEB-ZIAGYGMSSA-N 0 3 316.409 1.249 50 0 DDAAHN NC(=O)CC1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000069667257 406753968 /nfs/dbraw/zinc/75/39/68/406753968.db2.gz PVGPAOMDQMJUPP-MRXNPFEDSA-N 0 3 306.406 1.152 50 0 DDAAHN Cc1cnn(C[C@H](C)NCC(=O)N2CCc3sccc3C2)c1 ZINC000069709280 406761164 /nfs/dbraw/zinc/76/11/64/406761164.db2.gz LCLJUMLLHRJEIJ-ZDUSSCGKSA-N 0 3 318.446 1.816 50 0 DDAAHN CC(C)Cn1ncc2cc(C(=O)NC[C@@H](C)N(C)C)cnc21 ZINC000069415720 406708913 /nfs/dbraw/zinc/70/89/13/406708913.db2.gz ITDZOMJTWUAPFQ-GFCCVEGCSA-N 0 3 303.410 1.767 50 0 DDAAHN Cc1ccn2ncc(C(=O)N3CCC[C@H]3[C@@H]3CCCN3C)c2n1 ZINC000069849418 406780810 /nfs/dbraw/zinc/78/08/10/406780810.db2.gz RODPLVRCMBBRMI-GJZGRUSLSA-N 0 3 313.405 1.737 50 0 DDAAHN CCc1ccc([C@H](CNc2ccc3nnnn3n2)N(C)C)cc1 ZINC000009050172 406800668 /nfs/dbraw/zinc/80/06/68/406800668.db2.gz OQRJJDKLTGDZFM-AWEZNQCLSA-N 0 3 311.393 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307.463 1.870 50 0 DDAAHN Cn1ncc(Br)c1C(=O)N1CCN2CCC[C@H]2C1 ZINC000002767680 406698808 /nfs/dbraw/zinc/69/88/08/406698808.db2.gz HHURMLLKOPWPAY-VIFPVBQESA-N 0 3 313.199 1.103 50 0 DDAAHN COCCN1CC[C@@H](CNC(=O)COc2ccccc2C)C1 ZINC000068493758 406646377 /nfs/dbraw/zinc/64/63/77/406646377.db2.gz IXFPTOQMTOVYRF-HNNXBMFYSA-N 0 3 306.406 1.458 50 0 DDAAHN CCOc1ccc(C(=O)NC[C@@H]2CCN(CCOC)C2)cc1 ZINC000068493839 406647591 /nfs/dbraw/zinc/64/75/91/406647591.db2.gz PVTDZFMDTMCCGP-AWEZNQCLSA-N 0 3 306.406 1.783 50 0 DDAAHN Cc1ccc(CCC(=O)NCC(=O)NC[C@@H](C)N(C)C)cc1 ZINC000069537372 406732315 /nfs/dbraw/zinc/73/23/15/406732315.db2.gz HQZBDXCVLGDUJT-CQSZACIVSA-N 0 3 305.422 1.110 50 0 DDAAHN Cc1cc(C)cc(OC[C@H](O)CN2CCC(CC(N)=O)CC2)c1 ZINC000069532666 406732360 /nfs/dbraw/zinc/73/23/60/406732360.db2.gz RQRNPRTUDFFNOI-MRXNPFEDSA-N 0 3 320.433 1.631 50 0 DDAAHN CN(CCOc1cccc(Cl)c1)C[C@H](O)Cn1cccn1 ZINC000069453378 406715413 /nfs/dbraw/zinc/71/54/13/406715413.db2.gz TVQDVDGPGOVIHF-AWEZNQCLSA-N 0 3 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/nfs/dbraw/zinc/22/20/26/407222026.db2.gz QQBSKWINMSEOPP-OAGGEKHMSA-N 0 3 319.453 1.645 50 0 DDAAHN CCN1CCN([C@H](C)CNC(=O)/C=C/c2ccc(C)nc2)CC1 ZINC000095993686 407222159 /nfs/dbraw/zinc/22/21/59/407222159.db2.gz HZUCTVPNVLQLAK-KXPUMZMLSA-N 0 3 316.449 1.545 50 0 DDAAHN CN1CCN(CCCCNC(=O)N2CCC3(CCCC3)C2)CC1 ZINC000096439064 407266587 /nfs/dbraw/zinc/26/65/87/407266587.db2.gz XQKMFHYVSRHMRN-UHFFFAOYSA-N 0 3 322.497 1.990 50 0 DDAAHN CN(C)CC(=O)NCCCC1=CCN(Cc2ccccn2)CC1 ZINC000067459191 407273756 /nfs/dbraw/zinc/27/37/56/407273756.db2.gz MNHAKINNOQJSIL-UHFFFAOYSA-N 0 3 316.449 1.672 50 0 DDAAHN CN(C)CCNC(=O)Nc1ccn(-c2ncccc2Cl)n1 ZINC000097052310 407277313 /nfs/dbraw/zinc/27/73/13/407277313.db2.gz NUEANYPANBYMHW-UHFFFAOYSA-N 0 3 308.773 1.604 50 0 DDAAHN CS(=O)(=O)N1CCC(N2CCC[C@@H]2c2ccccn2)CC1 ZINC000067642197 407278558 /nfs/dbraw/zinc/27/85/58/407278558.db2.gz CPDBKRLMHVJCKN-OAHLLOKOSA-N 0 3 309.435 1.643 50 0 DDAAHN CC(=O)NC1CCN(Cc2cc3ccc(C)cc3[nH]c2=O)CC1 ZINC000067726526 407282674 /nfs/dbraw/zinc/28/26/74/407282674.db2.gz QGBUDSKPPICDPU-UHFFFAOYSA-N 0 3 313.401 1.937 50 0 DDAAHN O=C(Nc1ccnn1C1CCN(CCO)CC1)C1CCCC1 ZINC000067804172 407285348 /nfs/dbraw/zinc/28/53/48/407285348.db2.gz KLOYNPSABKXPLF-UHFFFAOYSA-N 0 3 306.410 1.641 50 0 DDAAHN Cn1c2ccccc2nc(CN(C[C@@H]2CCOC2)C2CC2)c1=O ZINC000097201530 407286441 /nfs/dbraw/zinc/28/64/41/407286441.db2.gz NUBNXRVVNQVHPP-ZDUSSCGKSA-N 0 3 313.401 1.934 50 0 DDAAHN COc1ccc2cc(CN3CCN(C)[C@H](C)C3)c(=O)[nH]c2c1 ZINC000067964723 407292217 /nfs/dbraw/zinc/29/22/17/407292217.db2.gz YTPWIORCQCUSJR-GFCCVEGCSA-N 0 3 301.390 1.673 50 0 DDAAHN OCCCN1CCN(Cc2cc3ccccc3[nH]2)C[C@@H](O)C1 ZINC000097638038 407301406 /nfs/dbraw/zinc/30/14/06/407301406.db2.gz UJFRXFQDDJLLSE-INIZCTEOSA-N 0 3 303.406 1.029 50 0 DDAAHN CC(C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)c1nccs1 ZINC000107046154 407369276 /nfs/dbraw/zinc/36/92/76/407369276.db2.gz USOHIVDURPMIHW-MXWKQRLJSA-N 0 3 316.448 1.810 50 0 DDAAHN CCS[C@H]1CCCC[C@@H]1NCc1cc(=O)n(C)c(=O)n1C 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Cc1ccnn1CCN1CCN(C2Cc3ccccc3C2)CC1 ZINC000243932109 407925294 /nfs/dbraw/zinc/92/52/94/407925294.db2.gz BSXVLWSCKRKWJL-UHFFFAOYSA-N 0 3 310.445 1.977 50 0 DDAAHN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)CC1CCN(C)CC1 ZINC000330183261 410575963 /nfs/dbraw/zinc/57/59/63/410575963.db2.gz PSNARQGHZBJBQF-CQSZACIVSA-N 0 3 320.437 1.985 50 0 DDAAHN Cc1ccc2[nH]nc(CNC(=O)CN3CCCN(C)CC3)c2c1 ZINC000299784304 410624752 /nfs/dbraw/zinc/62/47/52/410624752.db2.gz WSYYTVUKEQCWIS-UHFFFAOYSA-N 0 3 315.421 1.125 50 0 DDAAHN Cc1ccc2n[nH]c(CNC(=O)CN3CCCN(C)CC3)c2c1 ZINC000299784304 410624760 /nfs/dbraw/zinc/62/47/60/410624760.db2.gz WSYYTVUKEQCWIS-UHFFFAOYSA-N 0 3 315.421 1.125 50 0 DDAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Cn1cnc2ccccc21 ZINC000299787371 410628040 /nfs/dbraw/zinc/62/80/40/410628040.db2.gz QGDWSUWXEFEZLG-HOCLYGCPSA-N 0 3 316.405 1.260 50 0 DDAAHN CCn1cc([C@@H]2OCC[C@@H]2CN[C@H](C)C(=O)NCC(C)C)cn1 ZINC000107503181 418498225 /nfs/dbraw/zinc/49/82/25/418498225.db2.gz CWCWIKQXFYCBHT-IIAWOOMASA-N 0 3 322.453 1.731 50 0 DDAAHN CC1(C)C[C@@H](NCCn2c(=O)oc3cccnc32)C(C)(C)O1 ZINC000119757821 418502891 /nfs/dbraw/zinc/50/28/91/418502891.db2.gz CHGVADBLHUITPX-GFCCVEGCSA-N 0 3 305.378 1.925 50 0 DDAAHN CN(Cc1ccc2c(c1)OCO2)C[C@H](O)COC[C@H]1CCCO1 ZINC000241653334 222212196 /nfs/dbraw/zinc/21/21/96/222212196.db2.gz PUHBRKNNQQZDTG-LSDHHAIUSA-N 0 3 323.389 1.404 50 0 DDAAHN O=C(Cn1ccnn1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000426661155 419527566 /nfs/dbraw/zinc/52/75/66/419527566.db2.gz BIBFRTSIAFAEHI-MRXNPFEDSA-N 0 3 313.405 1.307 50 0 DDAAHN CN1CCCC[C@@H]1CNC(=O)N(CCCO)Cc1cccnc1 ZINC000426544875 419501135 /nfs/dbraw/zinc/50/11/35/419501135.db2.gz BMBGUHHBIQAVPK-MRXNPFEDSA-N 0 3 320.437 1.460 50 0 DDAAHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cccc(F)c2N)C1 ZINC000585118184 422307247 /nfs/dbraw/zinc/30/72/47/422307247.db2.gz FYZQNBUVKUYYHH-VXGBXAGGSA-N 0 3 300.399 1.853 50 0 DDAAHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000229565956 278142109 /nfs/dbraw/zinc/14/21/09/278142109.db2.gz 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/nfs/dbraw/zinc/16/65/83/185166583.db2.gz HTHVUGIRNLHBHC-XHSDSOJGSA-N 0 3 312.454 1.951 50 0 DDAAHN CCCc1ccc(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)o1 ZINC000216073652 539264483 /nfs/dbraw/zinc/26/44/83/539264483.db2.gz FTVNZRPYNQTGRX-IRXDYDNUSA-N 0 3 307.438 1.025 50 0 DDAAHN CC(C)c1cc(C(=O)N2CCN(c3ccncc3)CC2)n(C)n1 ZINC000082138383 192360629 /nfs/dbraw/zinc/36/06/29/192360629.db2.gz KSNPVAZXFQTHLC-UHFFFAOYSA-N 0 3 313.405 1.901 50 0 DDAAHN Cc1nc(CN(C)[C@@H]2CCN(CCc3ccccn3)C2)no1 ZINC000095402242 185354645 /nfs/dbraw/zinc/35/46/45/185354645.db2.gz BQBZDQJFLVYTAF-OAHLLOKOSA-N 0 3 301.394 1.522 50 0 DDAAHN COc1ccc(CNCCOC(N)=O)cc1Br ZINC000095460247 185370662 /nfs/dbraw/zinc/37/06/62/185370662.db2.gz WAOKCHRLVISGPX-UHFFFAOYSA-N 0 3 303.156 1.643 50 0 DDAAHN Cn1ccnc1CNCC1(CN2CCOCC2)CCCCC1 ZINC000083476669 192370835 /nfs/dbraw/zinc/37/08/35/192370835.db2.gz VILRLCSKMCHVLJ-UHFFFAOYSA-N 0 3 306.454 1.792 50 0 DDAAHN Cc1cocc1C(=O)N1Cc2nnc(C)n2C[C@@H]1CN(C)C ZINC000685943223 539567849 /nfs/dbraw/zinc/56/78/49/539567849.db2.gz TYAUSPFOSDXDDW-LBPRGKRZSA-N 0 3 303.366 1.074 50 0 DDAAHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000072235061 191080461 /nfs/dbraw/zinc/08/04/61/191080461.db2.gz WPOUDEYQHSCZNG-MRXNPFEDSA-N 0 3 313.405 1.817 50 0 DDAAHN Cc1nc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c(C)o1 ZINC000072422511 191157985 /nfs/dbraw/zinc/15/79/85/191157985.db2.gz CUFNATPDGNIRTC-LBPRGKRZSA-N 0 3 321.421 1.864 50 0 DDAAHN CN(C(=O)C1(N)CC1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000072433481 191164037 /nfs/dbraw/zinc/16/40/37/191164037.db2.gz JPICYFOTHWNHMB-INIZCTEOSA-N 0 3 301.434 1.643 50 0 DDAAHN OC[C@H](c1ccccc1)n1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072476031 191177696 /nfs/dbraw/zinc/17/76/96/191177696.db2.gz WMXYSWMIXMMUSS-QGZVFWFLSA-N 0 3 323.400 1.822 50 0 DDAAHN C[C@@]1([C@H]2CCCN(Cc3ccccc3F)C2)NC(=O)NC1=O ZINC000089917266 353782629 /nfs/dbraw/zinc/78/26/29/353782629.db2.gz KJWBWYRVCYBKGD-LRDDRELGSA-N 0 3 305.353 1.636 50 0 DDAAHN C[C@H](C(=O)NC1CCCCCC1)N1CCO[C@@H](CN(C)C)C1 ZINC000106787429 353941338 /nfs/dbraw/zinc/94/13/38/353941338.db2.gz SJQGJGCBAHXGCG-ZBFHGGJFSA-N 0 3 311.470 1.476 50 0 DDAAHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)C(=O)N1CCCC1 ZINC000106789475 353941707 /nfs/dbraw/zinc/94/17/07/353941707.db2.gz SCMZOMMVVYTQSI-VNQPRFMTSA-N 0 3 307.438 1.473 50 0 DDAAHN CCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000107059038 353944253 /nfs/dbraw/zinc/94/42/53/353944253.db2.gz NEWWYBBLMDJHST-PWSUYJOCSA-N 0 3 308.407 1.181 50 0 DDAAHN CC[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2c[n-]c3ncccc23)C1 ZINC000107059038 353944256 /nfs/dbraw/zinc/94/42/56/353944256.db2.gz NEWWYBBLMDJHST-PWSUYJOCSA-N 0 3 308.407 1.181 50 0 DDAAHN CC[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2c[n-]c3ncccc23)C1 ZINC000107059038 353944258 /nfs/dbraw/zinc/94/42/58/353944258.db2.gz NEWWYBBLMDJHST-PWSUYJOCSA-N 0 3 308.407 1.181 50 0 DDAAHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCO[C@H]1C ZINC000253370648 354386753 /nfs/dbraw/zinc/38/67/53/354386753.db2.gz UGLLIASJHJETDQ-WTTBNOFXSA-N 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CC[C@H](N)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000236939169 202082306 /nfs/dbraw/zinc/08/23/06/202082306.db2.gz ZNSDDMMSAKRNOF-ABAIWWIYSA-N 0 3 323.412 1.701 50 0 DDAAHN COCCNCC(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000237167124 202173842 /nfs/dbraw/zinc/17/38/42/202173842.db2.gz MYLHPFAJCBWVMG-ZBFHGGJFSA-N 0 3 306.406 1.519 50 0 DDAAHN CCc1ccc(CN2C[C@H](CO)C[C@H](CN3CCOCC3)C2)o1 ZINC000091575316 193074666 /nfs/dbraw/zinc/07/46/66/193074666.db2.gz ZDVFWTDSUMYDHS-HZPDHXFCSA-N 0 3 322.449 1.605 50 0 DDAAHN CN1CCN(CCCF)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091997523 193138424 /nfs/dbraw/zinc/13/84/24/193138424.db2.gz KNVZDRVYAOIIIC-KRWDZBQOSA-N 0 3 311.445 1.755 50 0 DDAAHN NC(=O)c1cc([C@@H]2CCCN(C[C@H](O)c3ccccc3)C2)n[nH]1 ZINC000257366430 203068881 /nfs/dbraw/zinc/06/88/81/203068881.db2.gz YHCPUDKUGNADAZ-CJNGLKHVSA-N 0 3 314.389 1.422 50 0 DDAAHN COc1ccc(OC)c(NC(=O)CCN2CCN(C)CC2)c1 ZINC000019361405 182119327 /nfs/dbraw/zinc/11/93/27/182119327.db2.gz GTTZMXCTBZEHGF-UHFFFAOYSA-N 0 3 307.394 1.280 50 0 DDAAHN CCN(CC)[C@H](CNC(=O)c1nccnc1N)c1ccccc1 ZINC000022752863 182332431 /nfs/dbraw/zinc/33/24/31/182332431.db2.gz XLVVMJIQOAPZPP-CQSZACIVSA-N 0 3 313.405 1.872 50 0 DDAAHN c1cnc(Oc2cccc(CNCCN3CCOCC3)c2)nc1 ZINC000022937320 182341836 /nfs/dbraw/zinc/34/18/36/182341836.db2.gz QNMVNLMVUCDIIA-UHFFFAOYSA-N 0 3 314.389 1.691 50 0 DDAAHN C[C@H]1C[C@H]1c1ccc(CN(CCC(=O)NC(N)=O)C2CC2)o1 ZINC000042145866 183236024 /nfs/dbraw/zinc/23/60/24/183236024.db2.gz RHBJQULRWLKGKM-GXFFZTMASA-N 0 3 305.378 1.952 50 0 DDAAHN CNCc1cccc(Br)c1OCCS(C)(=O)=O ZINC000042411564 183265873 /nfs/dbraw/zinc/26/58/73/183265873.db2.gz HFOFLMODUVXCBV-UHFFFAOYSA-N 0 3 322.224 1.592 50 0 DDAAHN O=c1c2cc(F)ccc2ncn1C[C@H]1CCCN(CCO)C1 ZINC000043119834 183339133 /nfs/dbraw/zinc/33/91/33/183339133.db2.gz IMDZVZBNLLZWMA-LBPRGKRZSA-N 0 3 305.353 1.240 50 0 DDAAHN c1cc(C2CCN(Cc3nnnn3-c3ccccc3)CC2)[nH]n1 ZINC000058246119 184094187 /nfs/dbraw/zinc/09/41/87/184094187.db2.gz KNKIWCHPBKLSOL-UHFFFAOYSA-N 0 3 309.377 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/nfs/dbraw/zinc/05/96/85/407059685.db2.gz FEWYIMWBVMACGG-UHFFFAOYSA-N 0 3 317.433 1.767 50 0 DDAAHN CC(C)CN1CCO[C@H](CN2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000089840195 407153383 /nfs/dbraw/zinc/15/33/83/407153383.db2.gz FWVCFYHZWSCPQO-JKSUJKDBSA-N 0 3 306.454 1.946 50 0 DDAAHN C[C@H](NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cnn(C)c1 ZINC000090913846 407172596 /nfs/dbraw/zinc/17/25/96/407172596.db2.gz SIJGEECOZVJRGQ-QGTPRVQTSA-N 0 3 314.433 1.706 50 0 DDAAHN Cn1ccnc1C1CCN(C(=O)CN2C[C@@H]3CC[C@H]2C3)CC1 ZINC000091680709 407183082 /nfs/dbraw/zinc/18/30/82/407183082.db2.gz CRYVLBMZAVPGND-HIFRSBDPSA-N 0 3 302.422 1.610 50 0 DDAAHN NC(=O)[C@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1 ZINC000095426059 407213283 /nfs/dbraw/zinc/21/32/83/407213283.db2.gz VDPPBNHPPAZFEI-SQWLQELKSA-N 0 3 306.431 1.857 50 0 DDAAHN COCCn1nc(C)c(CNC[C@H]2CNc3ccnn3C2)c1C ZINC000058369323 407220765 /nfs/dbraw/zinc/22/07/65/407220765.db2.gz UUAOYIZVTYDJCG-AWEZNQCLSA-N 0 3 318.425 1.174 50 0 DDAAHN Cc1cnn(Cc2cccc(F)c2)c1NC(=O)[C@H]1C=CCN1 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CCCNc1ncc(CN2CC[C@]3(C2)CCCN(C)C3=O)cn1 ZINC000067688725 407280292 /nfs/dbraw/zinc/28/02/92/407280292.db2.gz KVNXGXYXZGGAFS-KRWDZBQOSA-N 0 3 317.437 1.743 50 0 DDAAHN COc1cc(OC)c(C(=O)NC[C@@H]2CCCN(C)C2)cc1OC ZINC000067805909 407285052 /nfs/dbraw/zinc/28/50/52/407285052.db2.gz XAJGKJUVMXYLGY-LBPRGKRZSA-N 0 3 322.405 1.784 50 0 DDAAHN C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1-c1nnn[n-]1 ZINC000097578543 407299769 /nfs/dbraw/zinc/29/97/69/407299769.db2.gz UECHTAMNSHWKOI-UHFFFAOYSA-N 0 3 302.382 1.184 50 0 DDAAHN C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1-c1nn[n-]n1 ZINC000097578543 407299770 /nfs/dbraw/zinc/29/97/70/407299770.db2.gz UECHTAMNSHWKOI-UHFFFAOYSA-N 0 3 302.382 1.184 50 0 DDAAHN Cc1ccc(N2C(=O)C[C@@H](NCCN3CCCCC3)C2=O)cc1 ZINC000100594305 407308015 /nfs/dbraw/zinc/30/80/15/407308015.db2.gz ALZQCYDLJRJNEM-MRXNPFEDSA-N 0 3 315.417 1.702 50 0 DDAAHN CC[C@H]1CN(Cc2cn3ccsc3n2)CCN1C[C@H](C)O ZINC000106906936 407366681 /nfs/dbraw/zinc/36/66/81/407366681.db2.gz ZBDYIULWQKUVQL-JSGCOSHPSA-N 0 3 308.451 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/nfs/dbraw/zinc/72/39/07/408723907.db2.gz VVCPSCAJPHGVNM-AWEZNQCLSA-N 0 3 310.442 1.251 50 0 DDAAHN CN1CCC(NC(=O)Nc2ccc(OC(F)F)nc2)CC1 ZINC000283130644 409094439 /nfs/dbraw/zinc/09/44/39/409094439.db2.gz NKZYZGKATSZADJ-UHFFFAOYSA-N 0 3 300.309 1.899 50 0 DDAAHN CCc1nc(C)c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)o1 ZINC000299760444 410608296 /nfs/dbraw/zinc/60/82/96/410608296.db2.gz HXJNLDWHEPUQLH-AWEZNQCLSA-N 0 3 321.421 1.919 50 0 DDAAHN Cc1cc(F)cc(NC(=O)NCCN2CCC[C@H](CO)C2)c1 ZINC000299776548 410622235 /nfs/dbraw/zinc/62/22/35/410622235.db2.gz CSADGJGDALTKGL-ZDUSSCGKSA-N 0 3 309.385 1.960 50 0 DDAAHN Cc1nc2c(cnn2C)c(N2CCN(c3ccncc3)CC2)n1 ZINC000044978588 418435775 /nfs/dbraw/zinc/43/57/75/418435775.db2.gz BGCXGBPXZGZTGE-UHFFFAOYSA-N 0 3 309.377 1.393 50 0 DDAAHN CC(C)CN1CCN(CCn2c3ccccc3oc2=O)CC1 ZINC000045736062 418441871 /nfs/dbraw/zinc/44/18/71/418441871.db2.gz GVONMNBPAPAYQS-UHFFFAOYSA-N 0 3 303.406 1.868 50 0 DDAAHN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C(C)S(C)(=O)=O ZINC000107360907 418498008 /nfs/dbraw/zinc/49/80/08/418498008.db2.gz SSVDKYFLZYNOOB-GXTWGEPZSA-N 0 3 324.446 1.677 50 0 DDAAHN CCn1cnnc1CNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000240454679 222210934 /nfs/dbraw/zinc/21/09/34/222210934.db2.gz FYBCIBQYVVXDRT-OLZOCXBDSA-N 0 3 308.430 1.360 50 0 DDAAHN CCCS(=O)(=O)N1CCC(CN2CCN(C)C[C@H]2C)CC1 ZINC000248009064 222233830 /nfs/dbraw/zinc/23/38/30/222233830.db2.gz DFFCOTYBPRERSJ-CQSZACIVSA-N 0 3 317.499 1.074 50 0 DDAAHN C[C@@H](C(=O)NCCc1cccs1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000408524912 418808721 /nfs/dbraw/zinc/80/87/21/418808721.db2.gz YMKKLHSAWZBCMT-RYUDHWBXSA-N 0 3 319.434 1.403 50 0 DDAAHN CCn1ncnc1[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000426604522 419517948 /nfs/dbraw/zinc/51/79/48/419517948.db2.gz PEMZGUKBVNSUMW-GFCCVEGCSA-N 0 3 301.394 1.851 50 0 DDAAHN CN(C)CCNC(=O)N(C)Cc1cc(-c2ccncc2)no1 ZINC000426701588 228596889 /nfs/dbraw/zinc/59/68/89/228596889.db2.gz JSKRRTRNBDEJRJ-UHFFFAOYSA-N 0 3 303.366 1.440 50 0 DDAAHN CN1CC[C@](N)(C(=O)Nc2cnc(-c3ccccc3)s2)C1 ZINC000649375559 423823194 /nfs/dbraw/zinc/82/31/94/423823194.db2.gz GJBFXMJZAKLNPF-OAHLLOKOSA-N 0 3 302.403 1.782 50 0 DDAAHN COCCN1CC[C@H](CN(C)c2ncc(F)c(N(C)C)n2)C1 ZINC000095366601 274033022 /nfs/dbraw/zinc/03/30/22/274033022.db2.gz ZRFHZHXSRPFLDG-GFCCVEGCSA-N 0 3 311.405 1.086 50 0 DDAAHN CN(C)C(=O)CCN1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082158459 276750347 /nfs/dbraw/zinc/75/03/47/276750347.db2.gz BDNGMTNNVADPMK-UHFFFAOYSA-N 0 3 316.405 1.364 50 0 DDAAHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000022685237 277039703 /nfs/dbraw/zinc/03/97/03/277039703.db2.gz CYZUBPGVFKPASD-BBRMVZONSA-N 0 3 303.406 1.464 50 0 DDAAHN OCCOc1ccccc1CN1CCC2(C[C@@H](O)CO2)CC1 ZINC000097772681 280408719 /nfs/dbraw/zinc/40/87/19/280408719.db2.gz AKAWKFJYFYAVEZ-OAHLLOKOSA-N 0 3 307.390 1.174 50 0 DDAAHN Cc1cnc(CNC(=O)CC2(N3CCOCC3)CCCC2)o1 ZINC000253431436 333771822 /nfs/dbraw/zinc/77/18/22/333771822.db2.gz HCLNYOMZOZJHNK-UHFFFAOYSA-N 0 3 307.394 1.634 50 0 DDAAHN Cc1cnn(CC(=O)NC[C@H](c2ccccc2C)N(C)C)c1 ZINC000534579044 334288739 /nfs/dbraw/zinc/28/87/39/334288739.db2.gz RFNDEDDLTKACNF-MRXNPFEDSA-N 0 3 300.406 1.919 50 0 DDAAHN CCN1CCCC[C@@H]1CNc1ccc(-c2ccnn2C)nn1 ZINC000585092555 483920016 /nfs/dbraw/zinc/92/00/16/483920016.db2.gz DRIGMUYXCNCXHX-CYBMUJFWSA-N 0 3 300.410 2.163 50 0 DDAAHN C[C@@H]1CCCN(CCNC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000084697513 483998853 /nfs/dbraw/zinc/99/88/53/483998853.db2.gz MFBXXDYTHOPTIV-GFCCVEGCSA-N 0 3 303.406 1.325 50 0 DDAAHN COc1ccc(CN2CCC[C@@](CO)(CN(C)C)C2)c(F)c1 ZINC000216112422 484140878 /nfs/dbraw/zinc/14/08/78/484140878.db2.gz CAZDMZRBDCQGBI-QGZVFWFLSA-N 0 3 310.413 1.970 50 0 DDAAHN Cc1cc(C)n(CCCN(C)CC[C@H]2CCS(=O)(=O)C2)n1 ZINC000670452950 484839911 /nfs/dbraw/zinc/83/99/11/484839911.db2.gz IZHYRNZWPSPYNH-HNNXBMFYSA-N 0 3 313.467 1.647 50 0 DDAAHN Cc1ncc(CO)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000670456874 484842770 /nfs/dbraw/zinc/84/27/70/484842770.db2.gz VEEZRXJTDUYBPB-LBPRGKRZSA-N 0 3 302.378 1.691 50 0 DDAAHN Cc1ncc(CO)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000670456874 484842775 /nfs/dbraw/zinc/84/27/75/484842775.db2.gz VEEZRXJTDUYBPB-LBPRGKRZSA-N 0 3 302.378 1.691 50 0 DDAAHN O[C@H]1CN(Cc2cc3ccccc3s2)C[C@@H]1N1CCOCC1 ZINC000019642264 696069385 /nfs/dbraw/zinc/06/93/85/696069385.db2.gz QGKZTFJXAADOIP-HOTGVXAUSA-N 0 3 318.442 1.779 50 0 DDAAHN C[C@@H](CC(=O)N1CCN2C[C@H](O)C[C@H]2C1)Cc1cccc(F)c1 ZINC000888094190 709211154 /nfs/dbraw/zinc/21/11/54/709211154.db2.gz UAHGUWOJLINMKX-XOKHGSTOSA-N 0 3 320.408 1.672 50 0 DDAAHN CN1CCN(C[C@H]2CCCN(C(=O)Cc3ccncc3)C2)CC1 ZINC000952968363 721528993 /nfs/dbraw/zinc/52/89/93/721528993.db2.gz LEUXEFYAGXKJLE-QGZVFWFLSA-N 0 3 316.449 1.110 50 0 DDAAHN CCNC(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC000952994079 721534283 /nfs/dbraw/zinc/53/42/83/721534283.db2.gz UQCHZGHONVOPGY-UHFFFAOYSA-N 0 3 305.422 1.940 50 0 DDAAHN O=C(NCCc1ccccc1)NCCN1CCCC[C@H]1CO ZINC000828710909 759746463 /nfs/dbraw/zinc/74/64/63/759746463.db2.gz OYUAYORFPYEFQN-INIZCTEOSA-N 0 3 305.422 1.375 50 0 DDAAHN O=C(N[C@@H]1CCN(c2cc(N3CCCC3)cnn2)C1)C1CC1 ZINC000409421266 878185619 /nfs/dbraw/zinc/18/56/19/878185619.db2.gz MUZORVNQYKPMJD-CYBMUJFWSA-N 0 3 301.394 1.182 50 0 DDAAHN COc1ccc(OCCCN2C[C@H]3OCCN(C)[C@H]3C2)cc1 ZINC000079109544 185159121 /nfs/dbraw/zinc/15/91/21/185159121.db2.gz XVKJSKMGUMDLCT-DLBZAZTESA-N 0 3 306.406 1.479 50 0 DDAAHN CNCC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067804066 190722801 /nfs/dbraw/zinc/72/28/01/190722801.db2.gz UEWJQSWSPVISLE-UHFFFAOYSA-N 0 3 307.300 1.988 50 0 DDAAHN Cc1nc2n(n1)C[C@H](NCC(=O)N(C)Cc1cccs1)CC2 ZINC000070004031 190848107 /nfs/dbraw/zinc/84/81/07/190848107.db2.gz MXOCLASWCQTPMM-GFCCVEGCSA-N 0 3 319.434 1.211 50 0 DDAAHN OC[C@]1(O)CCCN(Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000072145992 191052598 /nfs/dbraw/zinc/05/25/98/191052598.db2.gz RXUHAWOILQHJGY-HNNXBMFYSA-N 0 3 307.419 1.848 50 0 DDAAHN C[C@H](NCCn1cccn1)C(=O)NCc1ccccc1Cl ZINC000072267807 191090956 /nfs/dbraw/zinc/09/09/56/191090956.db2.gz JIHSQFLZULIKNG-LBPRGKRZSA-N 0 3 306.797 1.831 50 0 DDAAHN Cc1ncc2c(c1CNC(=O)[C@@H](O)c1ccccc1)CCNC2 ZINC000072424576 191159674 /nfs/dbraw/zinc/15/96/74/191159674.db2.gz WLTARRHUARMINE-KRWDZBQOSA-N 0 3 311.385 1.386 50 0 DDAAHN Cc1ccc2nc(CN3CCC[C@@H]3Cn3cccn3)cc(=O)n2c1 ZINC000069925284 353176736 /nfs/dbraw/zinc/17/67/36/353176736.db2.gz HZWHSDLXJCGFGV-MRXNPFEDSA-N 0 3 323.400 1.864 50 0 DDAAHN Cc1cnc(CN(C)[C@H]2CCN(CCOC[C@@H]3CCCO3)C2)o1 ZINC000089702288 353778520 /nfs/dbraw/zinc/77/85/20/353778520.db2.gz OYUIQXOPIZMOET-HOTGVXAUSA-N 0 3 323.437 1.685 50 0 DDAAHN Cc1nc(CN(C)[C@H]2CCN(CCc3scnc3C)C2)no1 ZINC000095961621 353913419 /nfs/dbraw/zinc/91/34/19/353913419.db2.gz WOIPEJGCQNAVEI-ZDUSSCGKSA-N 0 3 321.450 1.892 50 0 DDAAHN CN(CCc1cccs1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000110638189 353961654 /nfs/dbraw/zinc/96/16/54/353961654.db2.gz QGOGMJAKTDUANN-UONOGXRCSA-N 0 3 323.462 1.795 50 0 DDAAHN COCCN1CC[C@H](Cn2cnc3ccc(OC)cc3c2=O)C1 ZINC000584902843 354801912 /nfs/dbraw/zinc/80/19/12/354801912.db2.gz VPWSCGXSVAYURA-ZDUSSCGKSA-N 0 3 317.389 1.373 50 0 DDAAHN c1ccc(-n2nnnc2SCCNCc2ccccn2)cc1 ZINC000004935153 181174878 /nfs/dbraw/zinc/17/48/78/181174878.db2.gz SZPFREDZFDCGKY-UHFFFAOYSA-N 0 3 312.402 1.939 50 0 DDAAHN CN1CCN(C)[C@H](CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000601014256 358382464 /nfs/dbraw/zinc/38/24/64/358382464.db2.gz CTXPJEOEEAXKTI-DOTOQJQBSA-N 0 3 319.424 1.778 50 0 DDAAHN Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cn2)cc1 ZINC000237814736 202360601 /nfs/dbraw/zinc/36/06/01/202360601.db2.gz XPLZZGQRYJNQRM-DZGCQCFKSA-N 0 3 313.357 1.844 50 0 DDAAHN CO[C@@H]1CN[C@@H](C(=O)Nc2nc(-c3cccs3)ns2)C1 ZINC000189327819 200381958 /nfs/dbraw/zinc/38/19/58/200381958.db2.gz DIPILIALDBGALZ-JGVFFNPUSA-N 0 3 310.404 1.582 50 0 DDAAHN C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCN(C)C ZINC000004008542 296040626 /nfs/dbraw/zinc/04/06/26/296040626.db2.gz XOIVLXGUDVXAJJ-QLFDAEIZSA-N 0 3 321.465 1.385 50 0 DDAAHN CC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cccc(OCCO)c1)C2 ZINC000091440577 193056445 /nfs/dbraw/zinc/05/64/45/193056445.db2.gz VHOHRQIBBYJADH-DLBZAZTESA-N 0 3 318.417 1.500 50 0 DDAAHN O=C(CCc1cc2n(n1)CCCN(C1CCCC1)C2)NCCO ZINC000091526126 193069613 /nfs/dbraw/zinc/06/96/13/193069613.db2.gz IVOZUMOEEKUGIE-UHFFFAOYSA-N 0 3 320.437 1.073 50 0 DDAAHN Cc1ccc([C@H]2CN(C(=O)c3c[nH]c(=O)c(Cl)c3)C[C@@H]2N)o1 ZINC000091651334 193085017 /nfs/dbraw/zinc/08/50/17/193085017.db2.gz FYECPKAOTKCDBN-JQWIXIFHSA-N 0 3 321.764 1.497 50 0 DDAAHN O=C(CN1CCN(CC2CCCCC2)CC1)N1CCOCC1 ZINC000040466297 183072822 /nfs/dbraw/zinc/07/28/22/183072822.db2.gz IRAFVCBIPOGZKU-UHFFFAOYSA-N 0 3 309.454 1.043 50 0 DDAAHN C[C@H](CNC(=O)CCn1c2ccccc2oc1=O)N1CCCC1 ZINC000040522565 183091636 /nfs/dbraw/zinc/09/16/36/183091636.db2.gz QDTDNUCPRYRHGV-CYBMUJFWSA-N 0 3 317.389 1.585 50 0 DDAAHN NC(=O)C1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000040459257 183069598 /nfs/dbraw/zinc/06/95/98/183069598.db2.gz URRRVUQTQIPYHS-ZDUSSCGKSA-N 0 3 312.797 1.277 50 0 DDAAHN [NH3+]C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000089091937 295273641 /nfs/dbraw/zinc/27/36/41/295273641.db2.gz RLHSBSHNFMJOEG-LDYMZIIASA-N 0 3 306.790 1.885 50 0 DDAAHN C[C@H](CNS(=O)(=O)N1CCC[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000105650140 194118179 /nfs/dbraw/zinc/11/81/79/194118179.db2.gz DYRQXZHVXGJBGG-QLFBSQMISA-N 0 3 317.499 1.673 50 0 DDAAHN CCOc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000106517078 194222594 /nfs/dbraw/zinc/22/25/94/194222594.db2.gz TYSNNUHQRNFXMI-GOEBONIOSA-N 0 3 304.390 1.678 50 0 DDAAHN CC(C)N1CCN(Cc2ccc3c(c2)OCCO3)C[C@H]1CCO ZINC000106684870 194242724 /nfs/dbraw/zinc/24/27/24/194242724.db2.gz JWSMUCYAEBDXHW-MRXNPFEDSA-N 0 3 320.433 1.735 50 0 DDAAHN Cc1cc(NC(=O)N(CCN(C)C)Cc2cccnc2)no1 ZINC000056336571 184010905 /nfs/dbraw/zinc/01/09/05/184010905.db2.gz HMUBDFOQDSCVHH-UHFFFAOYSA-N 0 3 303.366 1.974 50 0 DDAAHN CC(=O)Nc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)ccc1F ZINC000058363548 184109061 /nfs/dbraw/zinc/10/90/61/184109061.db2.gz GOWMYRYYWPGONI-GFCCVEGCSA-N 0 3 305.353 1.751 50 0 DDAAHN O=C(CN1CCC(c2ccn[nH]2)CC1)NCc1cccs1 ZINC000058246112 184094553 /nfs/dbraw/zinc/09/45/53/184094553.db2.gz KZUZEWWQZFGPFL-UHFFFAOYSA-N 0 3 304.419 1.967 50 0 DDAAHN O=C1CNC(=O)N1CCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000064140217 184292430 /nfs/dbraw/zinc/29/24/30/184292430.db2.gz WTMNANSOGUJDGL-CQSZACIVSA-N 0 3 305.353 1.905 50 0 DDAAHN COc1cc(NC(=O)CNC[C@H]2CCCC[C@H]2O)cc(OC)c1 ZINC000065394350 184334754 /nfs/dbraw/zinc/33/47/54/184334754.db2.gz ZZWJALBBXIXDHF-MLGOLLRUSA-N 0 3 322.405 1.783 50 0 DDAAHN COc1ccc([C@H](CNC(=O)Nc2cn[nH]c2)N(C)C)cc1 ZINC000065415629 184340541 /nfs/dbraw/zinc/34/05/41/184340541.db2.gz PZUAKERPUOIIPG-AWEZNQCLSA-N 0 3 303.366 1.843 50 0 DDAAHN C[C@H](CNC(=O)N1CCN(c2nccs2)CC1)N1CCCC1 ZINC000065444453 184346386 /nfs/dbraw/zinc/34/63/86/184346386.db2.gz NBCOPRBFXKRFBJ-CYBMUJFWSA-N 0 3 323.466 1.459 50 0 DDAAHN CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000065403886 184337342 /nfs/dbraw/zinc/33/73/42/184337342.db2.gz HONRIMGXFRSHKJ-LBPRGKRZSA-N 0 3 323.824 1.761 50 0 DDAAHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)C(C)(C)C ZINC000065550591 184364365 /nfs/dbraw/zinc/36/43/65/184364365.db2.gz OTMINDNXJSLCTO-UHFFFAOYSA-N 0 3 321.469 1.533 50 0 DDAAHN Cc1nnc2n1C[C@@H](NCc1ccc(-n3cccn3)cc1)CC2 ZINC000065553402 184365347 /nfs/dbraw/zinc/36/53/47/184365347.db2.gz IWBYCEUPUCIDOP-HNNXBMFYSA-N 0 3 308.389 1.877 50 0 DDAAHN C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCCN1CCC(C)CC1 ZINC000065496139 184354832 /nfs/dbraw/zinc/35/48/32/184354832.db2.gz ZCGKHOCWRYXNNA-CVEARBPZSA-N 0 3 312.454 1.809 50 0 DDAAHN CCS[C@H]1CCCCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343492315 257236783 /nfs/dbraw/zinc/23/67/83/257236783.db2.gz LAPSIZHXLYVLBV-LSDHHAIUSA-N 0 3 311.495 1.511 50 0 DDAAHN O=C1CCCN1C[C@@H](O)CNCc1c[nH]nc1-c1ccccc1 ZINC000071841231 184865256 /nfs/dbraw/zinc/86/52/56/184865256.db2.gz XCEKOUXOICIETC-HNNXBMFYSA-N 0 3 314.389 1.150 50 0 DDAAHN CN1CCCN(CC(=O)NCc2ccc3c(c2)CCCO3)CC1 ZINC000223190474 407565126 /nfs/dbraw/zinc/56/51/26/407565126.db2.gz WDELCXOLPOWRAH-UHFFFAOYSA-N 0 3 317.433 1.265 50 0 DDAAHN COc1cc(CNCc2ccccc2)ccc1OCC(N)=O ZINC000002648415 406692909 /nfs/dbraw/zinc/69/29/09/406692909.db2.gz GKBAGKCPRDOJPJ-UHFFFAOYSA-N 0 3 300.358 1.849 50 0 DDAAHN COCCN1CC[C@H](CNC(=O)COc2ccccc2C)C1 ZINC000068493760 406647841 /nfs/dbraw/zinc/64/78/41/406647841.db2.gz IXFPTOQMTOVYRF-OAHLLOKOSA-N 0 3 306.406 1.458 50 0 DDAAHN Clc1cc(CN[C@H]2CCc3ncnn3C2)cc2c1OCO2 ZINC000069843639 406778600 /nfs/dbraw/zinc/77/86/00/406778600.db2.gz CTALZIFGEISBHE-JTQLQIEISA-N 0 3 306.753 1.765 50 0 DDAAHN Cc1cc(N2CCN(C[C@H](O)c3ccccc3)CC2)nc(N)n1 ZINC000069842852 406778927 /nfs/dbraw/zinc/77/89/27/406778927.db2.gz NHSRWMLIEPFZKI-HNNXBMFYSA-N 0 3 313.405 1.223 50 0 DDAAHN Cc1cnn([C@H](C)[C@@H](C)NCC(=O)NCc2ccccn2)c1 ZINC000069819698 406779047 /nfs/dbraw/zinc/77/90/47/406779047.db2.gz SUXFTNSGLFXONW-ZIAGYGMSSA-N 0 3 301.394 1.442 50 0 DDAAHN C[C@@H](NC(=O)CC1CCCCC1)C(=O)NCCN1CCCC1 ZINC000069902575 406788021 /nfs/dbraw/zinc/78/80/21/406788021.db2.gz XPCYCOCTIYWUMT-CQSZACIVSA-N 0 3 309.454 1.674 50 0 DDAAHN O[C@H](CN1CCC[C@@H]1Cn1cncn1)c1ccc(F)cc1F ZINC000069899655 406788950 /nfs/dbraw/zinc/78/89/50/406788950.db2.gz JHPPNDTYYQPLSJ-IUODEOHRSA-N 0 3 308.332 1.754 50 0 DDAAHN O[C@H](COCc1ccco1)CN1CCC[C@@H]1Cn1cccn1 ZINC000069895609 406789291 /nfs/dbraw/zinc/78/92/91/406789291.db2.gz KBXZJGSLUMFQFL-CABCVRRESA-N 0 3 305.378 1.518 50 0 DDAAHN COc1cccc(CNC(=O)CNCCn2cc(C)cn2)c1 ZINC000069951658 406797329 /nfs/dbraw/zinc/79/73/29/406797329.db2.gz ATZVLQQOMSEEQV-UHFFFAOYSA-N 0 3 302.378 1.106 50 0 DDAAHN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(CCO)CC1 ZINC000011945515 406833442 /nfs/dbraw/zinc/83/34/42/406833442.db2.gz UZEZYEBAYSSXGE-UHFFFAOYSA-N 0 3 321.417 1.875 50 0 DDAAHN CN1CCN(c2ncccc2CNCc2cccc(O)c2)CC1 ZINC000071850029 406852432 /nfs/dbraw/zinc/85/24/32/406852432.db2.gz CIIUEYVTROJJGZ-UHFFFAOYSA-N 0 3 312.417 1.829 50 0 DDAAHN CCCN1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000014953611 406877009 /nfs/dbraw/zinc/87/70/09/406877009.db2.gz MLKHDMACJNRDAR-AWEZNQCLSA-N 0 3 300.366 1.475 50 0 DDAAHN 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BKSOZZZIUOBDMW-CQSZACIVSA-N 0 3 315.381 1.139 50 0 DDAAHN Cc1cnn([C@H](C)[C@H](C)N[C@H](C)C(=O)NC[C@H]2CCCO2)c1 ZINC000241644515 222211706 /nfs/dbraw/zinc/21/17/06/222211706.db2.gz PRKLZYWQHWAHIN-GBJTYRQASA-N 0 3 308.426 1.414 50 0 DDAAHN C[C@@H](O)CCN1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408521445 418807809 /nfs/dbraw/zinc/80/78/09/418807809.db2.gz UOMKFMKUJJHKHW-CABCVRRESA-N 0 3 305.422 1.906 50 0 DDAAHN Cc1cc(=O)c(C(=O)NCC2(N3CCCC3)CCCC2)cn1C ZINC000426442524 419471121 /nfs/dbraw/zinc/47/11/21/419471121.db2.gz KNVLYPSJGGIRIH-UHFFFAOYSA-N 0 3 317.433 1.832 50 0 DDAAHN COc1cc(CCNC(=O)N(C)[C@H]2CCN(C)C2)cc(OC)c1 ZINC000426530922 419497716 /nfs/dbraw/zinc/49/77/16/419497716.db2.gz QWBKZHAUBIYGIL-AWEZNQCLSA-N 0 3 321.421 1.592 50 0 DDAAHN CN(C)CC(C)(C)NS(=O)(=O)CCOc1ccccc1 ZINC000416507628 420400921 /nfs/dbraw/zinc/40/09/21/420400921.db2.gz LKPUIXJLXYTPPH-UHFFFAOYSA-N 0 3 300.424 1.325 50 0 DDAAHN CC[C@@H](CNC(=O)c1cnn(-c2ccccc2)n1)N1CCCC1 ZINC000042500047 273718136 /nfs/dbraw/zinc/71/81/36/273718136.db2.gz AWEWAIGFZGMKCI-AWEZNQCLSA-N 0 3 313.405 1.872 50 0 DDAAHN C[C@@H]1CN(CCCCNC(=O)Nc2nncs2)C[C@@H](C)O1 ZINC000075110090 288158885 /nfs/dbraw/zinc/15/88/85/288158885.db2.gz JTIPIORVWTVKKP-GHMZBOCLSA-N 0 3 313.427 1.549 50 0 DDAAHN CCc1nccn1C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000534645456 334307050 /nfs/dbraw/zinc/30/70/50/334307050.db2.gz VHNFIZPCCUHJFN-LBPRGKRZSA-N 0 3 311.393 1.804 50 0 DDAAHN Cn1cc([C@@H]2OCC[C@@H]2CN[C@H](C(N)=O)c2ccccc2)cn1 ZINC000084317423 483993242 /nfs/dbraw/zinc/99/32/42/483993242.db2.gz LDQZMJMJVIWPSX-VNQPRFMTSA-N 0 3 314.389 1.314 50 0 DDAAHN CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(CC(C)(C)O)C1 ZINC000084671323 483999074 /nfs/dbraw/zinc/99/90/74/483999074.db2.gz HCKWYPQRXBKUKM-CYBMUJFWSA-N 0 3 322.409 1.141 50 0 DDAAHN Cn1c2cc(NC(=O)C[C@H]3CSCCN3)ccc2oc1=O ZINC000170050159 545647723 /nfs/dbraw/zinc/64/77/23/545647723.db2.gz DLWDLXOFYWNMGX-JTQLQIEISA-N 0 3 307.375 1.165 50 0 DDAAHN CC(=O)N1C[C@@H](CO)C2(C1)CCN(Cc1ccccc1F)CC2 ZINC000169751548 697343794 /nfs/dbraw/zinc/34/37/94/697343794.db2.gz XOLSCFYPEJWWHA-INIZCTEOSA-N 0 3 320.408 1.879 50 0 DDAAHN CN1C[C@]2(CCCN(C(=O)CN3CCCCCC3)C2)OC1=O ZINC000952972043 721529864 /nfs/dbraw/zinc/52/98/64/721529864.db2.gz WGORPUNMVJUVSZ-INIZCTEOSA-N 0 3 309.410 1.306 50 0 DDAAHN C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000585121874 771953194 /nfs/dbraw/zinc/95/31/94/771953194.db2.gz DOOJGVACSISQBK-UHFFFAOYSA-N 0 3 317.397 1.112 50 0 DDAAHN C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000585121874 771953196 /nfs/dbraw/zinc/95/31/96/771953196.db2.gz DOOJGVACSISQBK-UHFFFAOYSA-N 0 3 317.397 1.112 50 0 DDAAHN COc1ccc(-c2cc(C(=O)NCCN(C)C)[nH]n2)cc1OC ZINC000095471168 185372717 /nfs/dbraw/zinc/37/27/17/185372717.db2.gz YOAJFWOHXMNPCS-UHFFFAOYSA-N 0 3 318.377 1.385 50 0 DDAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(=O)n(C)c2ccccc12 ZINC000095480772 185373594 /nfs/dbraw/zinc/37/35/94/185373594.db2.gz FUSAIJUGCOKYMA-CYBMUJFWSA-N 0 3 313.401 1.753 50 0 DDAAHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc2nncn2c1 ZINC000088250667 185243863 /nfs/dbraw/zinc/24/38/63/185243863.db2.gz UMOQOWSTFPCWKJ-UHFFFAOYSA-N 0 3 313.361 1.526 50 0 DDAAHN CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000089948733 185270929 /nfs/dbraw/zinc/27/09/29/185270929.db2.gz HKUISZCBEUSFBV-WQVCFCJDSA-N 0 3 321.396 1.589 50 0 DDAAHN CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)CN)C2 ZINC000071753835 191023162 /nfs/dbraw/zinc/02/31/62/191023162.db2.gz NORLLODFPFPGNI-UHFFFAOYSA-N 0 3 311.389 1.053 50 0 DDAAHN O=C1NC[C@]2(CCCN(Cc3ccc4nonc4c3)CC2)O1 ZINC000072164595 191064904 /nfs/dbraw/zinc/06/49/04/191064904.db2.gz SVDVQXDAIYPPPX-OAHLLOKOSA-N 0 3 302.334 1.687 50 0 DDAAHN NCC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072173679 191069948 /nfs/dbraw/zinc/06/99/48/191069948.db2.gz GCYJTZWOSPCFBE-DJIMGWMZSA-N 0 3 321.371 1.312 50 0 DDAAHN CCN1CCO[C@@H](CNCc2cnn(Cc3ccccc3)c2)C1 ZINC000072268798 191090695 /nfs/dbraw/zinc/09/06/95/191090695.db2.gz SLMWNSAMOVVMFH-SFHVURJKSA-N 0 3 314.433 1.742 50 0 DDAAHN Cn1ncc2c1nc(C1CCCC1)nc2N1[C@@H]2CC[C@H]1CNC2 ZINC000072436121 191166398 /nfs/dbraw/zinc/16/63/98/191166398.db2.gz RWHJSNKTKQHWKE-BETUJISGSA-N 0 3 312.421 1.962 50 0 DDAAHN C[C@H](C1CCN(Cc2cccnc2N)CC1)N1CCOCC1 ZINC000072447097 191169373 /nfs/dbraw/zinc/16/93/73/191169373.db2.gz IQOJAMWTAHBZPG-CQSZACIVSA-N 0 3 304.438 1.597 50 0 DDAAHN CO[C@@]1(C)C[C@H](NC(=O)Nc2ccn(CCN(C)C)n2)C1(C)C ZINC000072559929 191193855 /nfs/dbraw/zinc/19/38/55/191193855.db2.gz JIABGUSRUWAIQX-LRDDRELGSA-N 0 3 323.441 1.770 50 0 DDAAHN CCOc1ccc(S(=O)(=O)NCCN(CC)CC)cc1 ZINC000003339720 181008425 /nfs/dbraw/zinc/00/84/25/181008425.db2.gz BFPQKTPDCYPABM-UHFFFAOYSA-N 0 3 300.424 1.705 50 0 DDAAHN Cc1c(C(=O)C(=O)NCCCN(C)C)c2ccccc2n1C ZINC000004062495 181068532 /nfs/dbraw/zinc/06/85/32/181068532.db2.gz CCBOMWFYOIOXII-UHFFFAOYSA-N 0 3 301.390 1.737 50 0 DDAAHN CCN(C)c1ccnc(NCC2(CN3CCN(C)CC3)CC2)n1 ZINC000584902309 354800941 /nfs/dbraw/zinc/80/09/41/354800941.db2.gz KKOWAJWJOTUCQN-UHFFFAOYSA-N 0 3 318.469 1.372 50 0 DDAAHN CN1CCC(OCCCn2cnc3cccnc3c2=O)CC1 ZINC000584891967 354794731 /nfs/dbraw/zinc/79/47/31/354794731.db2.gz YFDNZNNCXWLEJA-UHFFFAOYSA-N 0 3 302.378 1.292 50 0 DDAAHN CC(C)N1CCC[C@H]1CNC(=O)N(C)CCCn1cccn1 ZINC000584896511 354796890 /nfs/dbraw/zinc/79/68/90/354796890.db2.gz FGKJMUNGRLTTJV-HNNXBMFYSA-N 0 3 307.442 1.787 50 0 DDAAHN O=C(NCC1CCN(c2ccncc2)CC1)NC1CCOCC1 ZINC000180309039 199143793 /nfs/dbraw/zinc/14/37/93/199143793.db2.gz XGOKJSISJGVCKY-UHFFFAOYSA-N 0 3 318.421 1.776 50 0 DDAAHN Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000237610709 202303620 /nfs/dbraw/zinc/30/36/20/202303620.db2.gz AWOHZFQHCIBQCR-GHMZBOCLSA-N 0 3 303.453 1.556 50 0 DDAAHN Nc1nc(CCC(=O)N2C[C@H](N)[C@@H](c3ccccc3)C2)cs1 ZINC000091707329 193095300 /nfs/dbraw/zinc/09/53/00/193095300.db2.gz SPYRZOIYNYMIOP-KGLIPLIRSA-N 0 3 316.430 1.611 50 0 DDAAHN Cc1cc(N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)nc(N)n1 ZINC000091724587 193097179 /nfs/dbraw/zinc/09/71/79/193097179.db2.gz XWGHYRCZIBPHHE-LBPRGKRZSA-N 0 3 303.410 1.595 50 0 DDAAHN C/C=C(\C)CN1C[C@H](NC(=O)Cn2ccnc2C)[C@@H](C2CC2)C1 ZINC000091848745 193117429 /nfs/dbraw/zinc/11/74/29/193117429.db2.gz OPOCUPMBITVPTP-ZPIZQRTESA-N 0 3 316.449 1.984 50 0 DDAAHN Cn1cccc1CN1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000093683263 193288474 /nfs/dbraw/zinc/28/84/74/193288474.db2.gz BRAZHPHLXAERBP-LLVKDONJSA-N 0 3 303.328 1.916 50 0 DDAAHN CC(=O)Nc1ccc(N2C(=O)C[C@H](NC3CCCC3)C2=O)cc1 ZINC000019972529 182172586 /nfs/dbraw/zinc/17/25/86/182172586.db2.gz XIHGBYUFMRYCCL-HNNXBMFYSA-N 0 3 315.373 1.809 50 0 DDAAHN CCCN1CCN(CCCNc2ncnc3onc(C)c32)CC1 ZINC000020575168 182234946 /nfs/dbraw/zinc/23/49/46/182234946.db2.gz XYUPBVSFRYFNKD-UHFFFAOYSA-N 0 3 318.425 1.756 50 0 DDAAHN COc1ccc(CNCCOCCO)cc1Br ZINC000020927766 182254300 /nfs/dbraw/zinc/25/43/00/182254300.db2.gz MIMBDCHJDUSZSW-UHFFFAOYSA-N 0 3 304.184 1.556 50 0 DDAAHN CCN1CCN(CCNC(=O)C2=Cc3ccccc3OC2)CC1 ZINC000021095610 182265546 /nfs/dbraw/zinc/26/55/46/182265546.db2.gz OOXGCFSADQRRLY-UHFFFAOYSA-N 0 3 315.417 1.216 50 0 DDAAHN COc1ccc(F)cc1[C@@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000044969483 183469361 /nfs/dbraw/zinc/46/93/61/183469361.db2.gz NKDRQRKLDIHWAN-RKDXNWHRSA-N 0 3 303.355 1.445 50 0 DDAAHN O[C@@H](Cn1cccn1)CN1CCCN(Cc2cccs2)CC1 ZINC000106107694 194185563 /nfs/dbraw/zinc/18/55/63/194185563.db2.gz BJOFUDRWJPZYOH-OAHLLOKOSA-N 0 3 320.462 1.513 50 0 DDAAHN O=C(Cn1cccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058377612 184109987 /nfs/dbraw/zinc/10/99/87/184109987.db2.gz PMGAUDUDEUFVCN-KRWDZBQOSA-N 0 3 312.417 1.912 50 0 DDAAHN COCCN1CCC(NC(=O)c2cccc3n[nH]cc32)CC1 ZINC000058308138 184103722 /nfs/dbraw/zinc/10/37/22/184103722.db2.gz UYVGTNZZNIBKMN-UHFFFAOYSA-N 0 3 302.378 1.404 50 0 DDAAHN O=C(NCc1ccc(F)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000058441452 184119005 /nfs/dbraw/zinc/11/90/05/184119005.db2.gz OAVLVSJLTHYYKR-CABCVRRESA-N 0 3 307.369 1.488 50 0 DDAAHN Cc1csc(SCC(=O)N2C[C@H](N(C)C)C[C@H]2CO)n1 ZINC000065385143 184333117 /nfs/dbraw/zinc/33/31/17/184333117.db2.gz BITXNVXDEZSSLV-MNOVXSKESA-N 0 3 315.464 1.067 50 0 DDAAHN CCc1ccccc1N1C[C@@H](C(=O)NCCN(C)CC)CC1=O ZINC000065405989 184338691 /nfs/dbraw/zinc/33/86/91/184338691.db2.gz FJPGDITZMCNZNY-HNNXBMFYSA-N 0 3 317.433 1.670 50 0 DDAAHN C[C@@H](CN1CCCC1=O)NCc1cn(C)nc1-c1cccnc1 ZINC000065552551 184364794 /nfs/dbraw/zinc/36/47/94/184364794.db2.gz CLVGTTQSFWWYPO-ZDUSSCGKSA-N 0 3 313.405 1.583 50 0 DDAAHN CCCN1CCCN(C(=O)C(=O)Nc2cncc(C)c2)CC1 ZINC000155057017 197017708 /nfs/dbraw/zinc/01/77/08/197017708.db2.gz WJMSSGSOSPMCIW-UHFFFAOYSA-N 0 3 304.394 1.273 50 0 DDAAHN Cc1ccccc1O[C@H](C)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343304592 257237374 /nfs/dbraw/zinc/23/73/74/257237374.db2.gz IYYHAVLLZPRCCA-HZPDHXFCSA-N 0 3 317.433 1.268 50 0 DDAAHN CS[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1N(C)C ZINC000270604693 257237887 /nfs/dbraw/zinc/23/78/87/257237887.db2.gz DLSUJEPFEWFJQM-HUUCEWRRSA-N 0 3 307.463 1.870 50 0 DDAAHN CC(C)n1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)n1 ZINC000521394361 257241425 /nfs/dbraw/zinc/24/14/25/257241425.db2.gz LENOYUJKIHTRJJ-HUUCEWRRSA-N 0 3 306.410 1.399 50 0 DDAAHN CN1CC[C@@H](NC(=O)CCc2cnccn2)[C@@H]1c1ccccc1 ZINC000366377402 257260851 /nfs/dbraw/zinc/26/08/51/257260851.db2.gz RQKKWGSBGJXTBL-AEFFLSMTSA-N 0 3 310.401 1.971 50 0 DDAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)C2CCCCC2)CC1 ZINC000001431416 406668993 /nfs/dbraw/zinc/66/89/93/406668993.db2.gz XRPHRQIEZPNCLX-UHFFFAOYSA-N 0 3 321.465 1.899 50 0 DDAAHN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H](C2OCCO2)C1 ZINC000069310255 406694082 /nfs/dbraw/zinc/69/40/82/406694082.db2.gz REPYEDBKLIIPGB-ZNMIVQPWSA-N 0 3 310.438 1.861 50 0 DDAAHN CCc1nc2n(n1)C[C@H](NCc1c[nH]nc1C(C)(C)C)CC2 ZINC000069621827 406746052 /nfs/dbraw/zinc/74/60/52/406746052.db2.gz SMFGFDXACVANBN-GFCCVEGCSA-N 0 3 302.426 1.966 50 0 DDAAHN CCN1CCCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1 ZINC000069700900 406757780 /nfs/dbraw/zinc/75/77/80/406757780.db2.gz GNGUJAJLQULDFB-HNNXBMFYSA-N 0 3 321.421 1.588 50 0 DDAAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2c(C)nn(CCO)c2C)c1 ZINC000069455054 406715168 /nfs/dbraw/zinc/71/51/68/406715168.db2.gz ATFLHHAUVOHSCA-OCCSQVGLSA-N 0 3 305.426 1.736 50 0 DDAAHN Cc1cnn(C[C@@H](C)NCc2cnc(N3CCCC3)nc2)c1 ZINC000069490154 406723892 /nfs/dbraw/zinc/72/38/92/406723892.db2.gz DUTLDTPCIPOLCP-CQSZACIVSA-N 0 3 300.410 1.760 50 0 DDAAHN CCN(Cc1cn2cccc(C(=O)OC)c2n1)C[C@@H]1CCOC1 ZINC000069844658 406779191 /nfs/dbraw/zinc/77/91/91/406779191.db2.gz MFMRKQXPMSXQRC-ZDUSSCGKSA-N 0 3 317.389 1.979 50 0 DDAAHN COC(=O)c1ccc(OC[C@@H](O)CN2CCCC[C@@H]2CO)cc1 ZINC000008188288 406780133 /nfs/dbraw/zinc/78/01/33/406780133.db2.gz BCEQAJOMZHTGNU-CABCVRRESA-N 0 3 323.389 1.060 50 0 DDAAHN O[C@H](COc1ccccc1)CN1CCC[C@@H]1Cn1cccn1 ZINC000069899336 406788385 /nfs/dbraw/zinc/78/83/85/406788385.db2.gz YFFWYZOWVGITBT-CVEARBPZSA-N 0 3 301.390 1.787 50 0 DDAAHN COC(=O)[C@@H]1CC(=O)N(C2CCN(Cc3ccccc3)CC2)C1 ZINC000008729769 406791932 /nfs/dbraw/zinc/79/19/32/406791932.db2.gz VQCDWKWEVDUUHN-OAHLLOKOSA-N 0 3 316.401 1.673 50 0 DDAAHN CCOC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](O)C2)cc1 ZINC000012596034 406847703 /nfs/dbraw/zinc/84/77/03/406847703.db2.gz FEZYPNRNGYLYHF-CABCVRRESA-N 0 3 323.389 1.060 50 0 DDAAHN Cc1c(C(=O)NCCCN2CCc3ccccc3C2)cnn1C ZINC000032401027 406948029 /nfs/dbraw/zinc/94/80/29/406948029.db2.gz QAQLUEPNBQVDAR-UHFFFAOYSA-N 0 3 312.417 1.907 50 0 DDAAHN CC(C(=O)N(C)Cc1ccccc1N1CCCC1)S(C)(=O)=O ZINC000044949645 407034858 /nfs/dbraw/zinc/03/48/58/407034858.db2.gz NQFZFRDCSLRMJU-ZDUSSCGKSA-N 0 3 324.446 1.678 50 0 DDAAHN CC(C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)S(C)(=O)=O ZINC000044950174 407035037 /nfs/dbraw/zinc/03/50/37/407035037.db2.gz XLLLKYWLAKPLOJ-ZWNOBZJWSA-N 0 3 315.366 1.159 50 0 DDAAHN Nc1ncccc1CN1CCCC[C@@H]1CCN1CCOCC1 ZINC000077515838 406994648 /nfs/dbraw/zinc/99/46/48/406994648.db2.gz OMKVAMNIXUNKCH-MRXNPFEDSA-N 0 3 304.438 1.741 50 0 DDAAHN CCN1CCC[C@H]1CNC(=O)c1nn(-c2ccccc2)nc1C ZINC000040457625 407003036 /nfs/dbraw/zinc/00/30/36/407003036.db2.gz OYUGYMVOZZJPEN-HNNXBMFYSA-N 0 3 313.405 1.790 50 0 DDAAHN Cc1nn(C)c2ncc(CN[C@H](C)CN3CCOCC3)cc12 ZINC000048353492 407096302 /nfs/dbraw/zinc/09/63/02/407096302.db2.gz UJGIBLXEHZKGPL-GFCCVEGCSA-N 0 3 303.410 1.087 50 0 DDAAHN CN(CCO)C[C@H]1COCCN1C(=O)c1ccc(Cl)s1 ZINC000085470243 407102222 /nfs/dbraw/zinc/10/22/22/407102222.db2.gz HBXYVDKOKBBGNL-JTQLQIEISA-N 0 3 318.826 1.167 50 0 DDAAHN Cc1c(C(=O)NCCN(C)C)nnn1-c1ccc(Cl)cc1 ZINC000051318177 407139177 /nfs/dbraw/zinc/13/91/77/407139177.db2.gz CLUSJZBTSWTDGF-UHFFFAOYSA-N 0 3 307.785 1.521 50 0 DDAAHN C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000089937860 407160197 /nfs/dbraw/zinc/16/01/97/407160197.db2.gz DNVXKCQWIQIGEB-NVXWUHKLSA-N 0 3 316.449 1.456 50 0 DDAAHN CN(C)CCNC(=O)c1ccc(CSc2ncccn2)o1 ZINC000055369180 407201932 /nfs/dbraw/zinc/20/19/32/407201932.db2.gz JOIQHPQKFXXHGW-UHFFFAOYSA-N 0 3 306.391 1.653 50 0 DDAAHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cnc(-c3cccnc3)nc1)C2 ZINC000095361517 407209361 /nfs/dbraw/zinc/20/93/61/407209361.db2.gz KEUDTHKGEOECPI-JKSUJKDBSA-N 0 3 323.400 1.847 50 0 DDAAHN C[C@@H](C1CC1)N(C)CC(=O)NCc1cnn(-c2ccccc2)n1 ZINC000095951849 407216430 /nfs/dbraw/zinc/21/64/30/407216430.db2.gz KFPUTKLCPIOEFU-ZDUSSCGKSA-N 0 3 313.405 1.614 50 0 DDAAHN CC(=O)NCCNC(=O)CN1CCC[C@H](c2ccccc2)CC1 ZINC000066898404 407262632 /nfs/dbraw/zinc/26/26/32/407262632.db2.gz LIKLHAYAYNFTQQ-KRWDZBQOSA-N 0 3 317.433 1.508 50 0 DDAAHN c1ccc(OCCN2CCCCC2)c(CNN2CCOCC2)c1 ZINC000067604885 407277283 /nfs/dbraw/zinc/27/72/83/407277283.db2.gz YKWDMGQFPGNENT-UHFFFAOYSA-N 0 3 319.449 1.888 50 0 DDAAHN C[C@@H](CCc1cccc(F)c1)N(C)CC(=O)N1CCOCC1 ZINC000097084246 407278946 /nfs/dbraw/zinc/27/89/46/407278946.db2.gz CGYAMSWXELSSML-AWEZNQCLSA-N 0 3 308.397 1.937 50 0 DDAAHN Cc1c(-c2cc(C(=O)NC[C@H]3CCCN(C)C3)no2)cnn1C ZINC000067867849 407287971 /nfs/dbraw/zinc/28/79/71/407287971.db2.gz QYLSUVPRDQKWSO-GFCCVEGCSA-N 0 3 317.393 1.455 50 0 DDAAHN Cc1ccc(NC(=O)NCCN2CCC[C@H](C(N)=O)C2)cc1C ZINC000097742851 407302496 /nfs/dbraw/zinc/30/24/96/407302496.db2.gz YGIKCGGIIRKVCU-AWEZNQCLSA-N 0 3 318.421 1.622 50 0 DDAAHN COc1ccc(CN(C)C[C@@H](O)CO)c2c(OC)cccc12 ZINC000216267247 407494511 /nfs/dbraw/zinc/49/45/11/407494511.db2.gz GZOXPQOZGMLARS-CYBMUJFWSA-N 0 3 305.374 1.642 50 0 DDAAHN c1coc(CNC[C@H]2CCCN(c3nccn4cnnc34)C2)c1 ZINC000253423847 407445510 /nfs/dbraw/zinc/44/55/10/407445510.db2.gz HJSCXDYJJXXQHF-CYBMUJFWSA-N 0 3 312.377 1.724 50 0 DDAAHN CC1(C)CC(N[C@H]2C[C@@H](c3cc(=O)[n-]c(N)n3)C2)CC(C)(C)[NH2+]1 ZINC000253535945 407456728 /nfs/dbraw/zinc/45/67/28/407456728.db2.gz ZAZSLFQYRRVIRP-PHIMTYICSA-N 0 3 319.453 1.909 50 0 DDAAHN C[C@H](C(=O)NC[C@@H](CO)Cc1ccccn1)N1[C@H](C)CC[C@@H]1C ZINC000230156849 407681521 /nfs/dbraw/zinc/68/15/21/407681521.db2.gz GQPCXYZYQOGURJ-QXSJWSMHSA-N 0 3 319.449 1.610 50 0 DDAAHN CCCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000229437252 407663202 /nfs/dbraw/zinc/66/32/02/407663202.db2.gz CIIWGBCSNFYUPW-HUUCEWRRSA-N 0 3 305.426 1.706 50 0 DDAAHN Cc1nc(CCN2CCC3(CC2)C(=O)NCCCN3C)cs1 ZINC000244734556 407934355 /nfs/dbraw/zinc/93/43/55/407934355.db2.gz NHXRDYWWESBDHC-UHFFFAOYSA-N 0 3 322.478 1.280 50 0 DDAAHN O=C(NCc1ccco1)C1CCN(CCc2cn[nH]c2)CC1 ZINC000244723590 407934994 /nfs/dbraw/zinc/93/49/94/407934994.db2.gz MEERJGMYSUNETE-UHFFFAOYSA-N 0 3 302.378 1.574 50 0 DDAAHN Cc1cc(C)n(CCN(C)CCC(=O)Nc2nccs2)n1 ZINC000244900250 407945095 /nfs/dbraw/zinc/94/50/95/407945095.db2.gz ZYPZEQCZNVAKSD-UHFFFAOYSA-N 0 3 307.423 1.917 50 0 DDAAHN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)[C@@H](N)C(C)C)C1 ZINC000182683927 408221807 /nfs/dbraw/zinc/22/18/07/408221807.db2.gz BJCMESHFFFFEKG-XHSDSOJGSA-N 0 3 318.417 1.775 50 0 DDAAHN Cn1cc(-c2cc(CN3CCC[C@H](CCC(N)=O)C3)on2)cn1 ZINC000184993817 408731777 /nfs/dbraw/zinc/73/17/77/408731777.db2.gz GKUNWKSAHAPUTB-GFCCVEGCSA-N 0 3 317.393 1.553 50 0 DDAAHN CCc1nc(C)sc1CNC(=O)CN1CC[C@H](N(C)C)C1 ZINC000252485179 408796843 /nfs/dbraw/zinc/79/68/43/408796843.db2.gz GOSZXMFBEKXFIY-LBPRGKRZSA-N 0 3 310.467 1.266 50 0 DDAAHN CN(C)c1nccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 ZINC000252487238 408799319 /nfs/dbraw/zinc/79/93/19/408799319.db2.gz USQQSZGHATTZOW-RBSFLKMASA-N 0 3 302.422 1.980 50 0 DDAAHN CCn1cc(CCN[C@@]2(CO)CCOc3ccccc32)cn1 ZINC000286140175 408930200 /nfs/dbraw/zinc/93/02/00/408930200.db2.gz NBDJFUDBIPTADZ-QGZVFWFLSA-N 0 3 301.390 1.705 50 0 DDAAHN CN(CCN(C)C1CC1)C(=O)c1cnc(C2CCCC2)nc1N ZINC000288061546 409139311 /nfs/dbraw/zinc/13/93/11/409139311.db2.gz XXXDCLBLNJMKMW-UHFFFAOYSA-N 0 3 317.437 1.883 50 0 DDAAHN Cc1[nH]nc(C(=O)NCCCN2CCC[C@@H](CO)C2)c1Cl ZINC000299759728 410607966 /nfs/dbraw/zinc/60/79/66/410607966.db2.gz MVQHUPAUYHCPAK-LLVKDONJSA-N 0 3 314.817 1.196 50 0 DDAAHN O=C(NCCN1CCCC1)c1cccc(-c2cnc(=O)[nH]c2)c1 ZINC000299781691 410624379 /nfs/dbraw/zinc/62/43/79/410624379.db2.gz IDLUARBNLYFDAV-UHFFFAOYSA-N 0 3 312.373 1.675 50 0 DDAAHN NC(=O)[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1 ZINC000108118898 418499749 /nfs/dbraw/zinc/49/97/49/418499749.db2.gz VDPPBNHPPAZFEI-LZWOXQAQSA-N 0 3 306.431 1.857 50 0 DDAAHN CCN1CC[C@@H](N(C)S(=O)(=O)C2CCOCC2)C[C@H]1C ZINC000245344102 222215405 /nfs/dbraw/zinc/21/54/05/222215405.db2.gz XNMXHWWGRQEBCL-CHWSQXEVSA-N 0 3 304.456 1.300 50 0 DDAAHN CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN(C)[C@@H]1COC[C@H]1O ZINC000495961890 421105260 /nfs/dbraw/zinc/10/52/60/421105260.db2.gz NNZRFLBLFDXCFL-BFHYXJOUSA-N 0 3 316.442 1.475 50 0 DDAAHN Nc1nc(CNC(=O)C2(N3CCCC3)CCCCC2)cs1 ZINC000584890406 422303105 /nfs/dbraw/zinc/30/31/05/422303105.db2.gz ZUNVWGFSTIMUPL-UHFFFAOYSA-N 0 3 308.451 2.140 50 0 DDAAHN C[C@]1(CO)C[C@@H](O)CN1CCCc1nc(-c2ccccc2)no1 ZINC000585115977 422306211 /nfs/dbraw/zinc/30/62/11/422306211.db2.gz CDNSDCIFSGETST-RHSMWYFYSA-N 0 3 317.389 1.487 50 0 DDAAHN CCN1CCCC[C@H]1CNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000075092532 276365828 /nfs/dbraw/zinc/36/58/28/276365828.db2.gz JCWYBIXKFCILIB-WCQYABFASA-N 0 3 323.359 1.570 50 0 DDAAHN C[C@@H]1CN(C)CCN1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000230081026 288068449 /nfs/dbraw/zinc/06/84/49/288068449.db2.gz CGUTVBGSMXWKPD-CHWSQXEVSA-N 0 3 310.467 1.696 50 0 DDAAHN O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCN2CCC[C@@H]2C1 ZINC000055107428 280225178 /nfs/dbraw/zinc/22/51/78/280225178.db2.gz ZTQBFQSJEWWVOJ-CQSZACIVSA-N 0 3 323.396 1.478 50 0 DDAAHN Cc1ccc(OC[C@H](O)CN2CCC(C(N)=O)CC2)cc1C ZINC000000119193 301656503 /nfs/dbraw/zinc/65/65/03/301656503.db2.gz XBOKFDFJTOYGCM-OAHLLOKOSA-N 0 3 306.406 1.240 50 0 DDAAHN C[C@H](C(=O)NCC1(CN2CCOCC2)CC1)N1CCCCCC1 ZINC000534582492 334289916 /nfs/dbraw/zinc/28/99/16/334289916.db2.gz OXTQOCACJLSEPU-MRXNPFEDSA-N 0 3 323.481 1.480 50 0 DDAAHN O=S(=O)(Cc1ccc(Cl)cc1F)N1CCCNCC1 ZINC000534666109 334318870 /nfs/dbraw/zinc/31/88/70/334318870.db2.gz HHESQJSZXJTCMW-UHFFFAOYSA-N 0 3 306.790 1.604 50 0 DDAAHN CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC000084281146 483993677 /nfs/dbraw/zinc/99/36/77/483993677.db2.gz GRZZZCBRNCYUKR-CABCVRRESA-N 0 3 322.409 1.370 50 0 DDAAHN CC(=O)Nc1cccc([C@H](C)NC[C@H]2CN3CCN2CC3)c1 ZINC000090647414 484012797 /nfs/dbraw/zinc/01/27/97/484012797.db2.gz CEMIZWALUMOYFZ-GUYCJALGSA-N 0 3 302.422 1.295 50 0 DDAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cccc2ccnn21 ZINC000670446534 484834006 /nfs/dbraw/zinc/83/40/06/484834006.db2.gz VIZSOCNOUNJUMX-ZFWWWQNUSA-N 0 3 302.378 1.172 50 0 DDAAHN Cc1nc(C)c(CC(=O)NCCN2CCCC[C@H]2CO)s1 ZINC000670448170 484836086 /nfs/dbraw/zinc/83/60/86/484836086.db2.gz ZETGPJHWWVGSBK-ZDUSSCGKSA-N 0 3 311.451 1.265 50 0 DDAAHN CCC1CCN(CCNc2cncc(C(=O)N(C)C)n2)CC1 ZINC000670456254 484841239 /nfs/dbraw/zinc/84/12/39/484841239.db2.gz MDWVYKCLFVVAST-UHFFFAOYSA-N 0 3 305.426 1.712 50 0 DDAAHN Cc1ncn(C)c1C(=O)NCCN1CC[C@H](c2ccccc2)C1 ZINC000670469582 484848545 /nfs/dbraw/zinc/84/85/45/484848545.db2.gz VZQJKRJHWZJSJU-INIZCTEOSA-N 0 3 312.417 1.948 50 0 DDAAHN Cc1ccn(-c2ccccc2CNC(=O)[C@H]2C[C@H](F)CN2)n1 ZINC000188957295 697567783 /nfs/dbraw/zinc/56/77/83/697567783.db2.gz FZHAMKWJQBQTAE-UONOGXRCSA-N 0 3 302.353 1.497 50 0 DDAAHN O=C(C[C@H]1CCNC[C@H]1F)N1CCC(Nc2cccnn2)CC1 ZINC000888101570 709214091 /nfs/dbraw/zinc/21/40/91/709214091.db2.gz JBVJAEILCVQYHQ-TZMCWYRMSA-N 0 3 321.400 1.217 50 0 DDAAHN CC(C)N(C)CC(=O)Nc1cccc(NC(=O)CN(C)C)c1 ZINC000952966981 721529065 /nfs/dbraw/zinc/52/90/65/721529065.db2.gz YDYRLZSNJMJYAG-UHFFFAOYSA-N 0 3 306.410 1.465 50 0 DDAAHN Cn1cncc1C(=O)NCC1CCN(Cc2ccoc2)CC1 ZINC000828202268 759537826 /nfs/dbraw/zinc/53/78/26/759537826.db2.gz VHOQJSGOQVWXRO-UHFFFAOYSA-N 0 3 302.378 1.655 50 0 DDAAHN O=C(NCCN1CCC[C@H](CO)C1)c1ccc2c(c1)CCC2 ZINC000828711080 759746936 /nfs/dbraw/zinc/74/69/36/759746936.db2.gz CTSPBSQLXORNDB-AWEZNQCLSA-N 0 3 302.418 1.609 50 0 DDAAHN CN(C)c1ccc(Cl)cc1NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC000952865086 775648824 /nfs/dbraw/zinc/64/88/24/775648824.db2.gz OWGLFZNGDCUBBM-NSHDSACASA-N 0 3 307.785 1.638 50 0 DDAAHN CN(C)c1ccc(Cl)cc1NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC000952865086 775648838 /nfs/dbraw/zinc/64/88/38/775648838.db2.gz OWGLFZNGDCUBBM-NSHDSACASA-N 0 3 307.785 1.638 50 0 DDAAHN O=c1cc(N2CCNCC2)cnn1CCc1ccc(F)cc1 ZINC000095517103 185376682 /nfs/dbraw/zinc/37/66/82/185376682.db2.gz CDNRHKSFRZNSRB-UHFFFAOYSA-N 0 3 302.353 1.035 50 0 DDAAHN c1nc(N2CCOCC2)sc1CN1CCC[C@@]2(CCOC2)C1 ZINC000095392481 185351820 /nfs/dbraw/zinc/35/18/20/185351820.db2.gz DNRXYVIXFAWMHE-MRXNPFEDSA-N 0 3 323.462 1.982 50 0 DDAAHN COC(=O)c1ccnc(N2CCCN(CC(C)(C)O)CC2)c1 ZINC000095395035 185352498 /nfs/dbraw/zinc/35/24/98/185352498.db2.gz NLHHGGSQTIHORL-UHFFFAOYSA-N 0 3 307.394 1.151 50 0 DDAAHN C[C@@H]1CN(c2nc(-c3ccncc3)nc3c2cnn3C)CCN1 ZINC000072135184 191046992 /nfs/dbraw/zinc/04/69/92/191046992.db2.gz HKSMPUVMSWDXJD-LLVKDONJSA-N 0 3 309.377 1.223 50 0 DDAAHN C[C@@H](CNC(=O)N1CCO[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000072277865 191099059 /nfs/dbraw/zinc/09/90/59/191099059.db2.gz UCUAGUKNBLZLFZ-GJZGRUSLSA-N 0 3 305.422 1.937 50 0 DDAAHN Cc1nc(NCCNC(=O)c2cccs2)cc(N(C)C)n1 ZINC000072433940 191164415 /nfs/dbraw/zinc/16/44/15/191164415.db2.gz NDYNKVXBNOCMTH-UHFFFAOYSA-N 0 3 305.407 1.754 50 0 DDAAHN O=C(Nc1ccc(CCN2CCC(O)CC2)cc1)c1cc[nH]n1 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DDAAHN Cn1c2ccccc2nc(CN(C[C@H]2CCOC2)C2CC2)c1=O ZINC000097201531 407286975 /nfs/dbraw/zinc/28/69/75/407286975.db2.gz NUBNXRVVNQVHPP-CYBMUJFWSA-N 0 3 313.401 1.934 50 0 DDAAHN CC(C)N1CCN(Cc2ccc(OCCO)cc2)C[C@H]1CCO ZINC000104310991 407350621 /nfs/dbraw/zinc/35/06/21/407350621.db2.gz VRQHVWKPRHKUJZ-QGZVFWFLSA-N 0 3 322.449 1.335 50 0 DDAAHN CCc1ccc(CN2CCN(C)[C@@]3(C2)CCNC(=O)CC3)o1 ZINC000107406784 407374882 /nfs/dbraw/zinc/37/48/82/407374882.db2.gz DRNWAYWVMFPABD-QGZVFWFLSA-N 0 3 305.422 1.628 50 0 DDAAHN C[C@H]1CNCCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000125401790 407387564 /nfs/dbraw/zinc/38/75/64/407387564.db2.gz UWOWIKKNRZRMHP-DOTOQJQBSA-N 0 3 317.433 1.098 50 0 DDAAHN Cc1nnc([C@H](C)NC(=O)C2CCN(Cc3ccco3)CC2)[nH]1 ZINC000215022460 407480988 /nfs/dbraw/zinc/48/09/88/407480988.db2.gz ORJPBMYNMIHPMJ-NSHDSACASA-N 0 3 317.393 1.796 50 0 DDAAHN CN(C)c1ncc(CN[C@H]2CCCN(c3cccnn3)C2)n1C ZINC000253425288 407446445 /nfs/dbraw/zinc/44/64/45/407446445.db2.gz RWLKGFHMYWQAMZ-ZDUSSCGKSA-N 0 3 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/nfs/dbraw/zinc/33/81/28/182338128.db2.gz IOQGWFLTNYWKFR-KRWDZBQOSA-N 0 3 322.449 1.335 50 0 DDAAHN NCc1cn(CC2CCN(C(=O)CSCC3CC3)CC2)nn1 ZINC000023231468 182353607 /nfs/dbraw/zinc/35/36/07/182353607.db2.gz GYIVTQKFVMPDGQ-UHFFFAOYSA-N 0 3 323.466 1.119 50 0 DDAAHN NCc1cn(C[C@H]2CCCN(C(=O)CC3=CCCCC3)C2)nn1 ZINC000023505352 182362436 /nfs/dbraw/zinc/36/24/36/182362436.db2.gz AUGFSPNWUZFETM-HNNXBMFYSA-N 0 3 317.437 1.866 50 0 DDAAHN Cc1nn(C)cc1CN1CCN(C2CCCC2)[C@H](CCO)C1 ZINC000039467474 183019697 /nfs/dbraw/zinc/01/96/97/183019697.db2.gz XJBUTSBDXWMYDK-QGZVFWFLSA-N 0 3 306.454 1.540 50 0 DDAAHN CCN(CC(=O)NC(N)=O)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058296650 184102193 /nfs/dbraw/zinc/10/21/93/184102193.db2.gz GVLLYUCTJXZRLB-ZFWWWQNUSA-N 0 3 318.421 1.339 50 0 DDAAHN Nc1ccc(C(=O)N[C@H]2CN(C3CCCCC3)C[C@@H]2O)cc1 ZINC000059689411 184140056 /nfs/dbraw/zinc/14/00/56/184140056.db2.gz FPENEWMDWUUMIT-HOTGVXAUSA-N 0 3 303.406 1.376 50 0 DDAAHN O=C(NC1CCN(C2CC2)CC1)c1cn(-c2ccccc2)nn1 ZINC000065429271 184343437 /nfs/dbraw/zinc/34/34/37/184343437.db2.gz ICXGYZGMDGUJPQ-UHFFFAOYSA-N 0 3 311.389 1.624 50 0 DDAAHN CCOc1cccc(C(=O)NC[C@H]2CCN(CCOC)C2)c1 ZINC000065588757 184369459 /nfs/dbraw/zinc/36/94/59/184369459.db2.gz SBAIJQXRFZVHCA-CQSZACIVSA-N 0 3 306.406 1.783 50 0 DDAAHN COCCN1CC[C@H](CNC(=O)[C@H](OC)c2ccccc2)C1 ZINC000065612981 184373777 /nfs/dbraw/zinc/37/37/77/184373777.db2.gz HGSKPZPJHJGGCR-GDBMZVCRSA-N 0 3 306.406 1.459 50 0 DDAAHN Cc1ccc(S(=O)(=O)N2CCCNCC2)cc1C(F)(F)F ZINC000237731717 256600112 /nfs/dbraw/zinc/60/01/12/256600112.db2.gz ICMBGBZUZUOXTL-UHFFFAOYSA-N 0 3 322.352 1.998 50 0 DDAAHN CC(C)n1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)n1 ZINC000521394360 257241532 /nfs/dbraw/zinc/24/15/32/257241532.db2.gz LENOYUJKIHTRJJ-GJZGRUSLSA-N 0 3 306.410 1.399 50 0 DDAAHN CCc1nnc2n1C[C@H](CNCc1cccc3c1OCO3)CC2 ZINC000069590025 406740409 /nfs/dbraw/zinc/74/04/09/406740409.db2.gz GLBHMFJYSUQEJR-LBPRGKRZSA-N 0 3 314.389 1.921 50 0 DDAAHN CCc1cccc(OC[C@H](O)CN2CCC(C(N)=O)CC2)c1 ZINC000007003308 406746401 /nfs/dbraw/zinc/74/64/01/406746401.db2.gz LXBDFFIEHZUSTC-OAHLLOKOSA-N 0 3 306.406 1.186 50 0 DDAAHN CCN(C(=O)CN1CCO[C@@H](CN(C)C)C1)C1=CCCCC1 ZINC000070021782 406803602 /nfs/dbraw/zinc/80/36/02/406803602.db2.gz LLXOPLJPORLXRW-INIZCTEOSA-N 0 3 309.454 1.555 50 0 DDAAHN CNC(=O)C1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000025755575 406900509 /nfs/dbraw/zinc/90/05/09/406900509.db2.gz GYRGXKUZRZPBJY-AWEZNQCLSA-N 0 3 310.369 1.023 50 0 DDAAHN O=C(Nc1ccccc1F)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000075134241 406923420 /nfs/dbraw/zinc/92/34/20/406923420.db2.gz GKVFIZCPJIQGAG-GFCCVEGCSA-N 0 3 319.380 1.897 50 0 DDAAHN CCn1cc(Br)cc1C(=O)NC[C@H](C)N(C)C ZINC000038089367 406998867 /nfs/dbraw/zinc/99/88/67/406998867.db2.gz CTWLLQFKQBQXBZ-VIFPVBQESA-N 0 3 302.216 1.950 50 0 DDAAHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCn2cncn2)C1 ZINC000084636463 407091438 /nfs/dbraw/zinc/09/14/38/407091438.db2.gz LSTKAHWSIVAWBZ-UONOGXRCSA-N 0 3 323.441 1.903 50 0 DDAAHN CCN(CC)[C@H](CNC(=O)[C@@H]1CCC(=O)N1)c1ccsc1 ZINC000048236433 407092868 /nfs/dbraw/zinc/09/28/68/407092868.db2.gz DOWNRQZWHZMQTQ-QWHCGFSZSA-N 0 3 309.435 1.526 50 0 DDAAHN CN(CCN1CCN(C2CCOCC2)CC1)c1ccccc1 ZINC000085826517 407105991 /nfs/dbraw/zinc/10/59/91/407105991.db2.gz GYTDKKJMXIOGQV-UHFFFAOYSA-N 0 3 303.450 1.919 50 0 DDAAHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1nnc2ccccn21 ZINC000089802478 407150972 /nfs/dbraw/zinc/15/09/72/407150972.db2.gz JZCKCDSVFOOADI-CYBMUJFWSA-N 0 3 318.425 1.505 50 0 DDAAHN COCCCN1CCN(c2ncnc3nc(C)cc(C)c32)CC1 ZINC000095352748 407208274 /nfs/dbraw/zinc/20/82/74/407208274.db2.gz SMBQUSRSATUJAE-UHFFFAOYSA-N 0 3 315.421 1.800 50 0 DDAAHN CCN1CCC[C@@H]1CNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000057793468 407216927 /nfs/dbraw/zinc/21/69/27/407216927.db2.gz SKQVKKZEYMIORS-LLVKDONJSA-N 0 3 318.377 1.049 50 0 DDAAHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccn(C)c(=O)c1 ZINC000095954097 407217151 /nfs/dbraw/zinc/21/71/51/407217151.db2.gz ZPPYEBUHIDXFEH-MRXNPFEDSA-N 0 3 313.401 1.288 50 0 DDAAHN CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1c[nH]cn1 ZINC000095961658 407217648 /nfs/dbraw/zinc/21/76/48/407217648.db2.gz MIZSNKODKAZPEO-JSGCOSHPSA-N 0 3 314.455 1.338 50 0 DDAAHN CC(C)C[C@H](N[C@@H]1CCSC1)C(=O)N1CCC(CO)CC1 ZINC000095967883 407218693 /nfs/dbraw/zinc/21/86/93/407218693.db2.gz BRIBTGMZJARLOU-CABCVRRESA-N 0 3 314.495 1.727 50 0 DDAAHN CC(C)OC(=O)C[C@H](NC(=O)[C@@]1(F)CCNC1)c1ccccc1 ZINC000095971663 407218910 /nfs/dbraw/zinc/21/89/10/407218910.db2.gz ZPANXBHZNWLSIM-WMLDXEAASA-N 0 3 322.380 1.887 50 0 DDAAHN CCN(CC(=O)NC1CCN(CCOC)CC1)c1ccccc1 ZINC000058341672 407220524 /nfs/dbraw/zinc/22/05/24/407220524.db2.gz BHALKUZNMIEAMA-UHFFFAOYSA-N 0 3 319.449 1.740 50 0 DDAAHN CN(C)CCn1cc(NC(=O)N2CCC[C@@H]2C(C)(C)O)cn1 ZINC000095994344 407221648 /nfs/dbraw/zinc/22/16/48/407221648.db2.gz DBQOMPJGSSOTPT-CYBMUJFWSA-N 0 3 309.414 1.212 50 0 DDAAHN CCN1CCC[C@H](NC(=O)C2CCN(c3ncccn3)CC2)C1 ZINC000065624499 407245173 /nfs/dbraw/zinc/24/51/73/407245173.db2.gz GOLDSPPYARHCHF-HNNXBMFYSA-N 0 3 317.437 1.294 50 0 DDAAHN C[C@H](C1CC1)N(C)S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000096427693 407265085 /nfs/dbraw/zinc/26/50/85/407265085.db2.gz QCPCBADRPKEHAL-NEPJUHHUSA-N 0 3 301.456 1.035 50 0 DDAAHN C[C@@H]1CN(C(=O)CN(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000096443459 407267590 /nfs/dbraw/zinc/26/75/90/407267590.db2.gz XNOWSQITMDVGQK-ABNPOPBRSA-N 0 3 310.438 1.368 50 0 DDAAHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C1=COCCC1 ZINC000097081803 407278839 /nfs/dbraw/zinc/27/88/39/407278839.db2.gz AHKRKZCLTDDZJH-QGZVFWFLSA-N 0 3 316.401 1.564 50 0 DDAAHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncnn1C ZINC000097142566 407282760 /nfs/dbraw/zinc/28/27/60/407282760.db2.gz RINRCZFPXYIKFR-JSGCOSHPSA-N 0 3 314.393 1.457 50 0 DDAAHN CN1CCC(N2CCN(Cc3cccs3)C[C@@H]2CCO)CC1 ZINC000067785532 407284426 /nfs/dbraw/zinc/28/44/26/407284426.db2.gz QNVMLMCFIFWHSH-INIZCTEOSA-N 0 3 323.506 1.711 50 0 DDAAHN CCNC(=O)NC(=O)CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000097230789 407289801 /nfs/dbraw/zinc/28/98/01/407289801.db2.gz CVOZXCOAKUGGFF-LBPRGKRZSA-N 0 3 315.377 1.369 50 0 DDAAHN C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCCO1 ZINC000097373222 407292382 /nfs/dbraw/zinc/29/23/82/407292382.db2.gz XJZSKRMWCGFBKW-SWLSCSKDSA-N 0 3 312.435 1.594 50 0 DDAAHN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000195574179 407467306 /nfs/dbraw/zinc/46/73/06/407467306.db2.gz QXQYLMPSKBTPFD-ILXRZTDVSA-N 0 3 318.483 1.595 50 0 DDAAHN Cc1nn(CCO)cc1CN(C)Cc1ccccc1CN(C)C ZINC000215461673 407484261 /nfs/dbraw/zinc/48/42/61/407484261.db2.gz UNZGUDGLEOHFIF-UHFFFAOYSA-N 0 3 316.449 1.877 50 0 DDAAHN CN(C)C1(CN(C)C(=O)CNC(=O)c2ccsc2)CCC1 ZINC000170602933 407447743 /nfs/dbraw/zinc/44/77/43/407447743.db2.gz VXCKSPPJOMMBJX-UHFFFAOYSA-N 0 3 309.435 1.421 50 0 DDAAHN COC(CN1CCC(n2cc(Br)cn2)CC1)OC ZINC000253430390 407449305 /nfs/dbraw/zinc/44/93/05/407449305.db2.gz WFQIBGMOTUXIMU-UHFFFAOYSA-N 0 3 318.215 1.901 50 0 DDAAHN C[C@@H](c1cnccn1)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000253432289 407451942 /nfs/dbraw/zinc/45/19/42/407451942.db2.gz YGYLBIDNWMMBTQ-INIZCTEOSA-N 0 3 317.481 1.887 50 0 DDAAHN NC(=O)c1ccc(/C=C\C(=O)N2CCCN(C3CC3)CC2)cc1 ZINC000221821335 407551389 /nfs/dbraw/zinc/55/13/89/407551389.db2.gz YRFYVZQCWVAUEY-WTKPLQERSA-N 0 3 313.401 1.495 50 0 DDAAHN C[C@H](NCCc1ccc(S(C)(=O)=O)cc1)c1cncn1C ZINC000225386213 407582296 /nfs/dbraw/zinc/58/22/96/407582296.db2.gz QXPOHHPRLFBWDX-LBPRGKRZSA-N 0 3 307.419 1.717 50 0 DDAAHN COc1cc(OC)c2ncnc(N3CCN4CCC3CC4)c2c1 ZINC000225713646 407599904 /nfs/dbraw/zinc/59/99/04/407599904.db2.gz NKALCECHWCYJSH-UHFFFAOYSA-N 0 3 314.389 1.931 50 0 DDAAHN Cn1cc([C@@H]2OCC[C@H]2CN[C@@H](C(N)=O)c2ccccc2)cn1 ZINC000229912016 407676208 /nfs/dbraw/zinc/67/62/08/407676208.db2.gz LDQZMJMJVIWPSX-NUEKZKHPSA-N 0 3 314.389 1.314 50 0 DDAAHN O=C(C[C@@H]1CSCCN1)NCc1cccc(-n2cccn2)c1 ZINC000239654484 407905050 /nfs/dbraw/zinc/90/50/50/407905050.db2.gz BNYSVRDBMIBVDH-CQSZACIVSA-N 0 3 316.430 1.584 50 0 DDAAHN CN(CCC(=O)NCc1ccccc1F)C[C@H]1COCCO1 ZINC000243915047 407921544 /nfs/dbraw/zinc/92/15/44/407921544.db2.gz BMEINCFXIMEWGX-AWEZNQCLSA-N 0 3 310.369 1.179 50 0 DDAAHN CO[C@H]1CCCN(CCN2CCN(c3ccccc3)CC2)C1 ZINC000244874646 407942617 /nfs/dbraw/zinc/94/26/17/407942617.db2.gz XEWGLZQFSKAHEH-SFHVURJKSA-N 0 3 303.450 1.919 50 0 DDAAHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000248082529 408535358 /nfs/dbraw/zinc/53/53/58/408535358.db2.gz APFXFVVMAXHYED-JHNDHUHGSA-N 0 3 322.453 1.027 50 0 DDAAHN CN(C)[C@H]1CCN(CC(=O)NCCSCc2ccccc2)C1 ZINC000252485063 408796582 /nfs/dbraw/zinc/79/65/82/408796582.db2.gz GNDDFGUIWCBNLL-INIZCTEOSA-N 0 3 321.490 1.672 50 0 DDAAHN CN(Cc1nc2ccccc2o1)C(=O)C[C@H]1CN(C)CCN1C ZINC000252486493 408797468 /nfs/dbraw/zinc/79/74/68/408797468.db2.gz HMDKDWWXGIKIHM-ZDUSSCGKSA-N 0 3 316.405 1.422 50 0 DDAAHN CCCc1n[nH]cc1C(=O)N(C)C[C@H]1CCN(CCOC)C1 ZINC000299755933 410608198 /nfs/dbraw/zinc/60/81/98/410608198.db2.gz AMGWGBNTASIVEU-CYBMUJFWSA-N 0 3 308.426 1.403 50 0 DDAAHN O=C(Cn1cccn1)NC[C@H](c1cccs1)N1CCCC1 ZINC000048234284 418466239 /nfs/dbraw/zinc/46/62/39/418466239.db2.gz IEYYXFYVWPKKNX-CYBMUJFWSA-N 0 3 304.419 1.898 50 0 DDAAHN O=C(NCCN1CCCC1)NCc1ccc2c(c1)OCCO2 ZINC000048253467 418466546 /nfs/dbraw/zinc/46/65/46/418466546.db2.gz PZYAYPOYDZJGSZ-UHFFFAOYSA-N 0 3 305.378 1.353 50 0 DDAAHN O=C(Cc1ccc2c(c1)CCO2)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000107319608 418498047 /nfs/dbraw/zinc/49/80/47/418498047.db2.gz OTYVDVJFAVFVSZ-HOTGVXAUSA-N 0 3 316.401 1.143 50 0 DDAAHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccn1 ZINC000252498253 222245629 /nfs/dbraw/zinc/24/56/29/222245629.db2.gz WXJSTLUCBYCCHE-IHRRRGAJSA-N 0 3 304.394 1.305 50 0 DDAAHN COCCn1cncc1CN1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 ZINC000299774067 277243357 /nfs/dbraw/zinc/24/33/57/277243357.db2.gz FSKMAGRILLVPFV-OWCLPIDISA-N 0 3 309.410 1.034 50 0 DDAAHN CC(=O)N[C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000022685230 278129243 /nfs/dbraw/zinc/12/92/43/278129243.db2.gz CYZUBPGVFKPASD-XJKSGUPXSA-N 0 3 303.406 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324.446 1.990 50 0 DDAAHN CN(C)C[C@@H]1CCCCN1C(=O)Cc1cn2ccccc2n1 ZINC000069697992 406756680 /nfs/dbraw/zinc/75/66/80/406756680.db2.gz CGOGKBGXZMHEPN-HNNXBMFYSA-N 0 3 300.406 1.820 50 0 DDAAHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccccc1F ZINC000069457188 406718355 /nfs/dbraw/zinc/71/83/55/406718355.db2.gz FJCBFWGAGWDVJW-HNNXBMFYSA-N 0 3 321.396 1.498 50 0 DDAAHN O=C(/C=C/c1c(F)cccc1F)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000069508559 406726439 /nfs/dbraw/zinc/72/64/39/406726439.db2.gz LKQZURBTNGQIHW-AMRKSYTLSA-N 0 3 322.355 1.957 50 0 DDAAHN COc1ccc(-c2nnc(SCCNCCO)n2C)cc1 ZINC000008428518 406787503 /nfs/dbraw/zinc/78/75/03/406787503.db2.gz RNDZZZYCLBPVRP-UHFFFAOYSA-N 0 3 308.407 1.165 50 0 DDAAHN COc1cccc(CNC(=O)CN[C@H](C)[C@@H](C)n2cccn2)c1 ZINC000069926555 406794133 /nfs/dbraw/zinc/79/41/33/406794133.db2.gz FSHWUDGDOXACON-ZIAGYGMSSA-N 0 3 316.405 1.747 50 0 DDAAHN C[C@H](NCC(=O)NCCc1cccs1)[C@H](C)n1cccn1 ZINC000070003974 406802128 /nfs/dbraw/zinc/80/21/28/406802128.db2.gz 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/nfs/dbraw/zinc/92/91/57/406929157.db2.gz OKHHHWQGNJMTJA-UHFFFAOYSA-N 0 3 320.418 1.059 50 0 DDAAHN CC[C@@H](CN1C(=O)N[C@H](C)C1=O)N1CCc2ccccc2C1 ZINC000044980686 407037890 /nfs/dbraw/zinc/03/78/90/407037890.db2.gz NQAWJRIAPDPNLO-DOMZBBRYSA-N 0 3 301.390 1.764 50 0 DDAAHN CN1CC[C@H]2CN(C(=O)c3cnc(Nc4ccccc4)nc3)C[C@H]21 ZINC000077440623 406991142 /nfs/dbraw/zinc/99/11/42/406991142.db2.gz RFRRJSLTBDKMCK-XJKSGUPXSA-N 0 3 323.400 1.996 50 0 DDAAHN O[C@]1(CNCc2cc(C(F)(F)F)ccc2F)CNCCOC1 ZINC000077469727 406992212 /nfs/dbraw/zinc/99/22/12/406992212.db2.gz KMVYLRLWZJBUCJ-ZDUSSCGKSA-N 0 3 322.302 1.285 50 0 DDAAHN C[C@@H](NC[C@]1(O)CCOC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090849701 407172234 /nfs/dbraw/zinc/17/22/34/407172234.db2.gz GONDXVJQDXZJJC-QMTHXVAHSA-N 0 3 317.382 1.031 50 0 DDAAHN COCCN1CCN(CCC(=O)N2CCc3ccccc32)CC1 ZINC000054429486 407185049 /nfs/dbraw/zinc/18/50/49/407185049.db2.gz ZXDQFFYZMRDKTI-UHFFFAOYSA-N 0 3 317.433 1.230 50 0 DDAAHN CCO[C@H]1C[C@@H](N(C)CCCS(=O)(=O)NC)C12CCCC2 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ZINC000096427204 407265237 /nfs/dbraw/zinc/26/52/37/407265237.db2.gz HGTLNPZESMRIPB-UHFFFAOYSA-N 0 3 306.410 1.071 50 0 DDAAHN CCS(=O)(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000096456144 407269232 /nfs/dbraw/zinc/26/92/32/407269232.db2.gz BVQHGEOPUDOUQI-OKILXGFUSA-N 0 3 318.483 1.547 50 0 DDAAHN COc1ccc2c(c1)C[C@H](NCC(=O)N1CCOCC1)CC2 ZINC000096493967 407272576 /nfs/dbraw/zinc/27/25/76/407272576.db2.gz WTRHOBGCCXBVTC-OAHLLOKOSA-N 0 3 304.390 1.001 50 0 DDAAHN COc1cccc(OCc2cc(C(=O)NCCN(C)C)[nH]n2)c1 ZINC000067758490 407283618 /nfs/dbraw/zinc/28/36/18/407283618.db2.gz LMNFADNXSYHFFP-UHFFFAOYSA-N 0 3 318.377 1.289 50 0 DDAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN[C@H](CC)C2)c1C ZINC000067920197 407289982 /nfs/dbraw/zinc/28/99/82/407289982.db2.gz FHXUEQFEPWSDKQ-GFCCVEGCSA-N 0 3 307.394 1.632 50 0 DDAAHN O=C(CCc1ccc(-c2cccs2)o1)N1CCNC[C@H](O)C1 ZINC000097528868 407299081 /nfs/dbraw/zinc/29/90/81/407299081.db2.gz KRYHEEIZATWITO-LBPRGKRZSA-N 0 3 320.414 1.733 50 0 DDAAHN O[C@H]1COC[C@@H]1N1CCCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000097602354 407300634 /nfs/dbraw/zinc/30/06/34/407300634.db2.gz IMPXTJUZWHTPIJ-LSXSPUPJSA-N 0 3 320.408 1.606 50 0 DDAAHN COc1ccc(F)c(F)c1CN1C[C@H](N(C)C)C[C@H]1CO ZINC000215024955 407481397 /nfs/dbraw/zinc/48/13/97/407481397.db2.gz LQBSUHCQVOFKIA-MNOVXSKESA-N 0 3 300.349 1.470 50 0 DDAAHN CN(C)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1CO ZINC000253414496 407442851 /nfs/dbraw/zinc/44/28/51/407442851.db2.gz XQRHHQDULCXCFE-WCQYABFASA-N 0 3 316.323 1.700 50 0 DDAAHN CCN(CC)CC(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000170594089 407444768 /nfs/dbraw/zinc/44/47/68/407444768.db2.gz IQWWNUYSCLNFIY-UHFFFAOYSA-N 0 3 304.369 1.969 50 0 DDAAHN CCO[C@@H]1C[C@H](O)C12CCN(C[C@@H](O)c1ccccc1)CC2 ZINC000265915989 407508788 /nfs/dbraw/zinc/50/87/88/407508788.db2.gz BINZQBSWTJWKGQ-IXDOHACOSA-N 0 3 305.418 1.972 50 0 DDAAHN O=C(CCN1CCSC1=O)NC[C@H]1CCCCN1C1CC1 ZINC000225495954 407590528 /nfs/dbraw/zinc/59/05/28/407590528.db2.gz BHELXTYHNCQXPS-CYBMUJFWSA-N 0 3 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/nfs/dbraw/zinc/91/04/56/407910456.db2.gz KVCUTVPUXKTWAY-KBMXLJTQSA-N 0 3 317.433 1.514 50 0 DDAAHN CC[C@@H](CO)N1CCN(CCOc2cccc(OC)c2)CC1 ZINC000154516452 408044563 /nfs/dbraw/zinc/04/45/63/408044563.db2.gz GUQCQYTYXFIXNN-HNNXBMFYSA-N 0 3 308.422 1.463 50 0 DDAAHN CSCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192213288 408558373 /nfs/dbraw/zinc/55/83/73/408558373.db2.gz ITMNVTFLDDMOAR-HNNXBMFYSA-N 0 3 308.447 1.757 50 0 DDAAHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)C2CC2)C1 ZINC000192941038 408672064 /nfs/dbraw/zinc/67/20/64/408672064.db2.gz YUMJSFYCIBJTHK-CQSZACIVSA-N 0 3 309.435 1.328 50 0 DDAAHN NC(=O)c1ccc(N2CCN(C[C@H]3CCCOC3)CC2)cc1 ZINC000332392238 410121115 /nfs/dbraw/zinc/12/11/15/410121115.db2.gz MMLSBILWEUEGRX-CQSZACIVSA-N 0 3 303.406 1.334 50 0 DDAAHN CC[C@@H](NC(=O)CCN1CCN(C)CC1)c1ncccc1C ZINC000299759111 410607442 /nfs/dbraw/zinc/60/74/42/410607442.db2.gz OCHXWYGPVZDIPN-OAHLLOKOSA-N 0 3 304.438 1.595 50 0 DDAAHN O=C(NCCC[N@H+]1CCC[C@H](CO)C1)c1cc([O-])ccc1F ZINC000299757954 410608617 /nfs/dbraw/zinc/60/86/17/410608617.db2.gz ITAPHMOEZCILBC-LBPRGKRZSA-N 0 3 310.369 1.356 50 0 DDAAHN O=C(NCCC[N@@H+]1CCC[C@H](CO)C1)c1cc([O-])ccc1F ZINC000299757954 410608627 /nfs/dbraw/zinc/60/86/27/410608627.db2.gz ITAPHMOEZCILBC-LBPRGKRZSA-N 0 3 310.369 1.356 50 0 DDAAHN CN(CCSc1ccccc1)C(=O)C[C@H]1CN(C)CCN1C ZINC000299772881 410617713 /nfs/dbraw/zinc/61/77/13/410617713.db2.gz CQEJIFKBUCBUFD-HNNXBMFYSA-N 0 3 321.490 1.873 50 0 DDAAHN CC(C)CCn1nc(C(=O)N2CCOCC2)c2c1CCNC2 ZINC000299784277 410624833 /nfs/dbraw/zinc/62/48/33/410624833.db2.gz SXRXUPWULWCICE-UHFFFAOYSA-N 0 3 306.410 1.047 50 0 DDAAHN Cc1nc([C@@H](C)NC(=O)CCN2CCN(C)CC2)c(C)s1 ZINC000299795312 410634426 /nfs/dbraw/zinc/63/44/26/410634426.db2.gz LFQNXFYLSAOGBG-LLVKDONJSA-N 0 3 310.467 1.575 50 0 DDAAHN CC(=O)c1cccc(C(=O)NCCCN2CCC[C@H](CO)C2)c1 ZINC000299800320 410638672 /nfs/dbraw/zinc/63/86/72/410638672.db2.gz WSQDTDHXNABVSG-HNNXBMFYSA-N 0 3 318.417 1.713 50 0 DDAAHN Cc1cc(=O)n2nc(NC[C@@H]3CCN(C4CC4)C3)sc2n1 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1.690 50 0 DDAAHN CCCNC(=O)[C@H]1CCCN(C(=O)[C@H](CC)N(CC)CC)C1 ZINC000078822516 185115309 /nfs/dbraw/zinc/11/53/09/185115309.db2.gz OYIXXHCZBVSCPD-GJZGRUSLSA-N 0 3 311.470 1.872 50 0 DDAAHN C[C@@H]1CC(C)(C)C[C@](CO)(NCC(=O)NCC(F)(F)F)C1 ZINC000078968897 185137121 /nfs/dbraw/zinc/13/71/21/185137121.db2.gz HSLHTGSXZFTUHI-ZWNOBZJWSA-N 0 3 310.360 1.832 50 0 DDAAHN C[C@@H](NC1(CNS(C)(=O)=O)CCOCC1)c1ccccc1 ZINC000079098010 185158108 /nfs/dbraw/zinc/15/81/08/185158108.db2.gz BPRFJPPZWNGWCR-CYBMUJFWSA-N 0 3 312.435 1.436 50 0 DDAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCC3CC3)C2=O)cc1 ZINC000083251954 185221538 /nfs/dbraw/zinc/22/15/38/185221538.db2.gz CTMITUNMRMMYLQ-CQSZACIVSA-N 0 3 316.357 1.495 50 0 DDAAHN CC(C)Cc1cc(C(=O)NCCN2CCC[C@@H](CO)C2)n(C)n1 ZINC000082107634 192356438 /nfs/dbraw/zinc/35/64/38/192356438.db2.gz LKLZNPFYKFFETB-CQSZACIVSA-N 0 3 322.453 1.053 50 0 DDAAHN Cc1nnc(C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)[n-]1 ZINC000095426489 185361867 /nfs/dbraw/zinc/36/18/67/185361867.db2.gz BSSQUXWSTDYBSI-KKUMJFAQSA-N 0 3 317.437 1.740 50 0 DDAAHN Cc1cnn(C)c1CN1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000685943256 539567186 /nfs/dbraw/zinc/56/71/86/539567186.db2.gz IRZBSNFHKBOQFV-OAHLLOKOSA-N 0 3 306.454 1.804 50 0 DDAAHN CS(=O)(=O)N1CC[C@]2(C1)CCCN(CCc1ccccc1)C2 ZINC000072156334 191059490 /nfs/dbraw/zinc/05/94/90/191059490.db2.gz WGPGOUZOTHFHAZ-QGZVFWFLSA-N 0 3 322.474 1.977 50 0 DDAAHN c1cn(-c2ccc3n[nH]cc3c2)c(-c2cc3n(n2)CCNC3)n1 ZINC000072447304 191169397 /nfs/dbraw/zinc/16/93/97/191169397.db2.gz ZNVNRHANTNEDBE-UHFFFAOYSA-N 0 3 305.345 1.715 50 0 DDAAHN CC(C)[C@@H](C(=O)N[C@H]1CCc2nccn2C1)N1CCCCC1 ZINC000072273712 353195505 /nfs/dbraw/zinc/19/55/05/353195505.db2.gz RUQBTRQUVJVNLH-HOCLYGCPSA-N 0 3 304.438 1.825 50 0 DDAAHN O=C(Nc1cccc(F)c1)C1CCN(CC2(CO)COC2)CC1 ZINC000075109101 353347553 /nfs/dbraw/zinc/34/75/53/353347553.db2.gz SSRKPGOMNGAUFO-UHFFFAOYSA-N 0 3 322.380 1.485 50 0 DDAAHN CC1(C)[C@H](NC(=O)N[C@@H]2CCN(CC3CC3)C2)[C@H]2CCO[C@H]21 ZINC000252477248 354383358 /nfs/dbraw/zinc/38/33/58/354383358.db2.gz KUMLBHWFNYVVIN-KBUPBQIOSA-N 0 3 307.438 1.583 50 0 DDAAHN COCCNCC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000237167494 202173004 /nfs/dbraw/zinc/17/30/04/202173004.db2.gz MYLHPFAJCBWVMG-GOEBONIOSA-N 0 3 306.406 1.519 50 0 DDAAHN CO[C@H](C)CS(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000195315961 201378945 /nfs/dbraw/zinc/37/89/45/201378945.db2.gz GDEODOLLRJMRCG-OCCSQVGLSA-N 0 3 304.456 1.205 50 0 DDAAHN C/C=C(\C)CN1C[C@H](NC(=O)c2cnccn2)[C@@H](C2CC2)C1 ZINC000091427238 193053753 /nfs/dbraw/zinc/05/37/53/193053753.db2.gz INTMZAJPELLTGI-OASCNCMYSA-N 0 3 300.406 1.883 50 0 DDAAHN CN1CCN(Cc2cc(F)cc(F)c2)C[C@]12CCNC(=O)CC2 ZINC000091646137 193085281 /nfs/dbraw/zinc/08/52/81/193085281.db2.gz TVRITTRTRNNVBS-KRWDZBQOSA-N 0 3 323.387 1.751 50 0 DDAAHN CC[NH+]1CCC(CNC(=O)c2cc(C(C)(C)C)nc(=O)[n-]2)CC1 ZINC000216195325 201485066 /nfs/dbraw/zinc/48/50/66/201485066.db2.gz NVIBFTZWNIWLCD-UHFFFAOYSA-N 0 3 320.437 1.529 50 0 DDAAHN O=C(NCC1CCN(c2ccncc2)CC1)C1CCOCC1 ZINC000093066144 193199815 /nfs/dbraw/zinc/19/98/15/193199815.db2.gz JKABJHPPUFCGPV-UHFFFAOYSA-N 0 3 303.406 1.841 50 0 DDAAHN CC(C)(C)CN1CCN(CCCn2cccn2)C[C@@H]1CCO ZINC000019224835 182108076 /nfs/dbraw/zinc/10/80/76/182108076.db2.gz BCRLPSSSCXQOMU-INIZCTEOSA-N 0 3 308.470 1.688 50 0 DDAAHN COc1ccc(S(=O)(=O)N2CCCNCC2)cc1Cl ZINC000019680061 182135729 /nfs/dbraw/zinc/13/57/29/182135729.db2.gz XBCGYLAZVMLCMH-UHFFFAOYSA-N 0 3 304.799 1.333 50 0 DDAAHN CC[C@H](CO)NCc1c(OCC(N)=O)ccc2ccccc21 ZINC000020872771 182250517 /nfs/dbraw/zinc/25/05/17/182250517.db2.gz JVMIOBJQEFEBPJ-CYBMUJFWSA-N 0 3 302.374 1.564 50 0 DDAAHN OCC[C@@H]1CN(C2CCOCC2)CCN1Cc1ccccc1F ZINC000023128739 182349732 /nfs/dbraw/zinc/34/97/32/182349732.db2.gz DHYMMZDRFODYOP-QGZVFWFLSA-N 0 3 322.424 1.873 50 0 DDAAHN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCNCC1 ZINC000040861757 183144014 /nfs/dbraw/zinc/14/40/14/183144014.db2.gz KAKGOLOMFKNQOE-UHFFFAOYSA-N 0 3 321.805 1.061 50 0 DDAAHN O=C(NCC1(N2CCSCC2)CCCC1)C1=COCCO1 ZINC000041423680 183190902 /nfs/dbraw/zinc/19/09/02/183190902.db2.gz QUFHLMZJAHJNDD-UHFFFAOYSA-N 0 3 312.435 1.352 50 0 DDAAHN Cc1ccc(CN2CCN(C3CCOCC3)C[C@H]2CCO)o1 ZINC000104556194 194015108 /nfs/dbraw/zinc/01/51/08/194015108.db2.gz AQICVDSKRQNZBF-MRXNPFEDSA-N 0 3 308.422 1.636 50 0 DDAAHN COc1ccc(CN[C@H]2CC(=O)N(C)C2)cc1OC(F)F ZINC000058168824 184083844 /nfs/dbraw/zinc/08/38/44/184083844.db2.gz QLNKBJSPGVXWDD-JTQLQIEISA-N 0 3 300.305 1.617 50 0 DDAAHN CN(C)CCn1cc(NC(=O)COc2ccc(F)cc2)cn1 ZINC000058268129 184097852 /nfs/dbraw/zinc/09/78/52/184097852.db2.gz TYYUZOQBOIPKKL-UHFFFAOYSA-N 0 3 306.341 1.601 50 0 DDAAHN CN(C)[C@H](CNC(=O)CNC(=O)CC(C)(C)C)c1ccccc1 ZINC000058282467 184099699 /nfs/dbraw/zinc/09/96/99/184099699.db2.gz IRINKQHZRITMIR-OAHLLOKOSA-N 0 3 319.449 1.958 50 0 DDAAHN O[C@@H](CNCc1cccnc1)COc1ccc2c(c1)OCO2 ZINC000063523714 184284413 /nfs/dbraw/zinc/28/44/13/184284413.db2.gz KACQBSUKZXKXPT-ZDUSSCGKSA-N 0 3 302.330 1.340 50 0 DDAAHN Cc1cc(C)n2nc(C(=O)NCCN3CCCCCC3)nc2n1 ZINC000065575713 184367470 /nfs/dbraw/zinc/36/74/70/184367470.db2.gz DEXNWIQUXJHKNY-UHFFFAOYSA-N 0 3 316.409 1.347 50 0 DDAAHN CN(Cc1ccccc1)C[C@H](O)Cn1nnc(-c2ccccc2)n1 ZINC000065612233 184373688 /nfs/dbraw/zinc/37/36/88/184373688.db2.gz LIJUMIRYJFMISN-KRWDZBQOSA-N 0 3 323.400 1.833 50 0 DDAAHN CCOC(=O)c1noc2ncnc(NCCN3CCCCC3)c12 ZINC000020992349 256529165 /nfs/dbraw/zinc/52/91/65/256529165.db2.gz APWUABVFZUDGOD-UHFFFAOYSA-N 0 3 319.365 1.692 50 0 DDAAHN CN1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](c2ccccc2)C1 ZINC000373538099 257261045 /nfs/dbraw/zinc/26/10/45/257261045.db2.gz UHNQUZIROVVUEG-HUUCEWRRSA-N 0 3 304.390 1.354 50 0 DDAAHN CCCCOC[C@H](O)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002091579 406680233 /nfs/dbraw/zinc/68/02/33/406680233.db2.gz OVGNNZJDYJKHBE-ARFHVFGLSA-N 0 3 320.433 1.445 50 0 biogenic DDAAHN COc1cc(CN[C@@H]2CCc3ncnn3C2)cc2c1OCO2 ZINC000069560228 406733918 /nfs/dbraw/zinc/73/39/18/406733918.db2.gz VOALWRGLUKYTMT-LLVKDONJSA-N 0 3 302.334 1.120 50 0 DDAAHN Cc1ccc(OCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000069668192 406755701 /nfs/dbraw/zinc/75/57/01/406755701.db2.gz AOZPZCPGQWSGDK-ZBFHGGJFSA-N 0 3 304.390 1.353 50 0 DDAAHN CC(C)OCCOC[C@@H](O)CN(C)CCOc1ccccc1 ZINC000069702371 406759783 /nfs/dbraw/zinc/75/97/83/406759783.db2.gz ZXPJDZYCEOSQDS-INIZCTEOSA-N 0 3 311.422 1.800 50 0 DDAAHN O=C(NC1CC1)c1ccc(CN[C@H]2CCc3ncnn3C2)cc1 ZINC000069490061 406723828 /nfs/dbraw/zinc/72/38/28/406723828.db2.gz FUMTYNUODBTSKL-HNNXBMFYSA-N 0 3 311.389 1.275 50 0 DDAAHN C[C@@H](C(=O)N1CCc2ccccc21)N1CCO[C@H](CN(C)C)C1 ZINC000069808433 406774607 /nfs/dbraw/zinc/77/46/07/406774607.db2.gz FUTRTMIFIQZHMR-GOEBONIOSA-N 0 3 317.433 1.227 50 0 DDAAHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1cc(C)no1)CC2 ZINC000069815128 406775743 /nfs/dbraw/zinc/77/57/43/406775743.db2.gz CQOVCMDAQMUBGH-WDEREUQCSA-N 0 3 318.381 1.069 50 0 DDAAHN Cc1cc(NC(=O)CCN2CCC[C@H]2Cn2cncn2)no1 ZINC000069969479 406797237 /nfs/dbraw/zinc/79/72/37/406797237.db2.gz BEVNQOOHZFUMDU-LBPRGKRZSA-N 0 3 304.354 1.068 50 0 DDAAHN COCCn1cc(NC(=O)N2CCCN(CC(C)C)CC2)cn1 ZINC000069974355 406799512 /nfs/dbraw/zinc/79/95/12/406799512.db2.gz ZYJUMUZZKVIEEK-UHFFFAOYSA-N 0 3 323.441 1.725 50 0 DDAAHN Cc1ccc(NC2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1 ZINC000071871691 406858075 /nfs/dbraw/zinc/85/80/75/406858075.db2.gz WIMLFBSDOBCNGG-AWEZNQCLSA-N 0 3 303.410 1.282 50 0 DDAAHN Cc1cnn(C[C@@H]2CCCN2CCC(=O)Nc2cc(C)on2)c1 ZINC000071875803 406858166 /nfs/dbraw/zinc/85/81/66/406858166.db2.gz RLNNAHPFKZLPCT-AWEZNQCLSA-N 0 3 317.393 1.981 50 0 DDAAHN Cc1ccc(CNCCCN2C(=O)NC3(CCCC3)C2=O)o1 ZINC000015184185 406880068 /nfs/dbraw/zinc/88/00/68/406880068.db2.gz ZIZDKPVOHXQISW-UHFFFAOYSA-N 0 3 305.378 1.932 50 0 DDAAHN Cc1ccc(N2CCN([C@@H](C)C(=O)NCCN(C)C)CC2)cc1 ZINC000034668335 406964191 /nfs/dbraw/zinc/96/41/91/406964191.db2.gz CTFQQXGGRLJCNV-INIZCTEOSA-N 0 3 318.465 1.183 50 0 DDAAHN CN(C)CCNC(=O)C(=O)Nc1cccc2c(O)cccc12 ZINC000036359175 406979094 /nfs/dbraw/zinc/97/90/94/406979094.db2.gz AYDXIZLNWKHIJE-UHFFFAOYSA-N 0 3 301.346 1.162 50 0 DDAAHN Cc1ccc(N2CCC(N3CCN(C)[C@H](CCO)C3)CC2)cc1 ZINC000036379974 406979248 /nfs/dbraw/zinc/97/92/48/406979248.db2.gz GBIPULBTABSEIZ-LJQANCHMSA-N 0 3 317.477 1.962 50 0 DDAAHN Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000030496707 406932380 /nfs/dbraw/zinc/93/23/80/406932380.db2.gz CPYDKMUNJCKNQO-UHFFFAOYSA-N 0 3 322.390 1.197 50 0 DDAAHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000031815744 406942867 /nfs/dbraw/zinc/94/28/67/406942867.db2.gz FRPPTPDWLRYOFA-AWEZNQCLSA-N 0 3 314.389 1.707 50 0 DDAAHN C[C@H](CNS(=O)(=O)N1CCCCCC1)CN1CCCCC1 ZINC000040156758 407001705 /nfs/dbraw/zinc/00/17/05/407001705.db2.gz JGEQOJRHSYXWKX-OAHLLOKOSA-N 0 3 317.499 1.819 50 0 DDAAHN CN(C)CCn1ccc(NC(=O)NC[C@]2(C)CCCS2)n1 ZINC000084673480 407091494 /nfs/dbraw/zinc/09/14/94/407091494.db2.gz GSHASYNWDGQPLO-AWEZNQCLSA-N 0 3 311.455 1.852 50 0 DDAAHN CC(C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000047747309 407080345 /nfs/dbraw/zinc/08/03/45/407080345.db2.gz WDUCYUGCKFHAMC-VHSXEESVSA-N 0 3 313.375 1.068 50 0 DDAAHN Cc1nnc(CN(C)C2CCN(CCc3ccccn3)CC2)o1 ZINC000084291461 407086545 /nfs/dbraw/zinc/08/65/45/407086545.db2.gz BWXFBIKYYPPOMA-UHFFFAOYSA-N 0 3 315.421 1.912 50 0 DDAAHN COCCN1CCC(CNC(=O)c2c(C)nn(C)c2C)CC1 ZINC000089505633 407137672 /nfs/dbraw/zinc/13/76/72/407137672.db2.gz XKOCVSGUBCGHSM-UHFFFAOYSA-N 0 3 308.426 1.125 50 0 DDAAHN Cc1cc(C)cc(OCCN(C)C[C@@H](O)Cn2cccn2)c1 ZINC000051500570 407139623 /nfs/dbraw/zinc/13/96/23/407139623.db2.gz RMIHREKLQFYGNS-MRXNPFEDSA-N 0 3 303.406 1.872 50 0 DDAAHN CC(C)n1cc([C@@H](C)NCC(C)(C)NS(C)(=O)=O)cn1 ZINC000089582251 407141302 /nfs/dbraw/zinc/14/13/02/407141302.db2.gz MWRLERVNYHMURV-LLVKDONJSA-N 0 3 302.444 1.442 50 0 DDAAHN CC1(C)[C@H](NC(=O)NC2CCN(C3CC3)CC2)[C@H]2CCO[C@@H]21 ZINC000089917443 407158100 /nfs/dbraw/zinc/15/81/00/407158100.db2.gz FNMGAZGSQSLAFC-KFWWJZLASA-N 0 3 307.438 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1.761 50 0 DDAAHN CCCCN1CCC(NS(=O)(=O)C2CCOCC2)CC1 ZINC000071890267 406862710 /nfs/dbraw/zinc/86/27/10/406862710.db2.gz DEFRHPSATPCUPW-UHFFFAOYSA-N 0 3 304.456 1.349 50 0 DDAAHN NS(=O)(=O)C[C@H]1CCCN(CCSc2ccccc2)C1 ZINC000071910674 406866176 /nfs/dbraw/zinc/86/61/76/406866176.db2.gz RLNDIPRUTUWRLG-ZDUSSCGKSA-N 0 3 314.476 1.779 50 0 DDAAHN C[C@](CO)(NCC(=O)NCc1ccccn1)C1CCCCC1 ZINC000072294137 406879661 /nfs/dbraw/zinc/87/96/61/406879661.db2.gz IZWSDGIMMIYQDJ-QGZVFWFLSA-N 0 3 305.422 1.619 50 0 DDAAHN O=C(CN1CC[C@@H](CSc2ccccc2)C1)N1CCOCC1 ZINC000075964554 406948439 /nfs/dbraw/zinc/94/84/39/406948439.db2.gz NJPYNPMFMKCTAD-OAHLLOKOSA-N 0 3 320.458 1.959 50 0 DDAAHN C/C=C/c1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(OC)c1 ZINC000032758547 406952566 /nfs/dbraw/zinc/95/25/66/406952566.db2.gz SFFPSBPGLGJTND-CWDCEQMOSA-N 0 3 321.417 1.925 50 0 DDAAHN O[C@@H](CN(Cc1ccc(F)cc1)C1CC1)CN1CCOCC1 ZINC000044871056 407031126 /nfs/dbraw/zinc/03/11/26/407031126.db2.gz UCRXEUMELYFUSU-QGZVFWFLSA-N 0 3 308.397 1.483 50 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DDAAHN COCCC1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCC1 ZINC000089410098 407133180 /nfs/dbraw/zinc/13/31/80/407133180.db2.gz YSRNVYBRNZRGJI-OAHLLOKOSA-N 0 3 309.454 1.977 50 0 DDAAHN O[C@H](Cn1cccn1)CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000051531927 407141585 /nfs/dbraw/zinc/14/15/85/407141585.db2.gz CGCPYOPJRUHITB-ZWKOTPCHSA-N 0 3 315.417 1.690 50 0 DDAAHN NC(=O)C1(CNCc2ccc(-c3cccnc3)o2)CCOCC1 ZINC000089794107 407150342 /nfs/dbraw/zinc/15/03/42/407150342.db2.gz MXRXJHNCQBPGQK-UHFFFAOYSA-N 0 3 315.373 1.713 50 0 DDAAHN CN1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000052529004 407153150 /nfs/dbraw/zinc/15/31/50/407153150.db2.gz HKSKFYVAHXNBBN-HOTGVXAUSA-N 0 3 316.449 1.906 50 0 DDAAHN CN1CCN(CCCCNC(=O)NCC2(C)CCCC2)CC1 ZINC000066596700 407255363 /nfs/dbraw/zinc/25/53/63/407255363.db2.gz MGYDZTJVSUFKLD-UHFFFAOYSA-N 0 3 310.486 1.894 50 0 DDAAHN C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)CN1CCCC1 ZINC000055265526 407199531 /nfs/dbraw/zinc/19/95/31/407199531.db2.gz ZCXKEXFFTKZJCS-CYBMUJFWSA-N 0 3 324.446 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/nfs/dbraw/zinc/44/77/94/407447794.db2.gz WGVAWPBPTNIXMB-KBPBESRZSA-N 0 3 322.453 1.804 50 0 DDAAHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](O)C1 ZINC000222150570 407554463 /nfs/dbraw/zinc/55/44/63/407554463.db2.gz AXNJQOUMGXUGDM-GDBMZVCRSA-N 0 3 305.422 1.673 50 0 DDAAHN CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000229905111 407676914 /nfs/dbraw/zinc/67/69/14/407676914.db2.gz ANAOZOLAMWGYMQ-CABCVRRESA-N 0 3 305.426 1.705 50 0 DDAAHN CN(CCO[C@H]1CCCCO1)[C@H]1CCCN(c2cccnn2)C1 ZINC000241775920 407912971 /nfs/dbraw/zinc/91/29/71/407912971.db2.gz RQDYGXCCFXJZHB-RDJZCZTQSA-N 0 3 320.437 1.920 50 0 DDAAHN Cc1csc(CCNC(=O)CSCCN2CCCC2)n1 ZINC000244701160 407930679 /nfs/dbraw/zinc/93/06/79/407930679.db2.gz KBHXYRJMUNXZPC-UHFFFAOYSA-N 0 3 313.492 1.939 50 0 DDAAHN Cc1ccnc(C[C@@H](C)N(C)CCCS(=O)(=O)N(C)C)c1 ZINC000244708097 407931541 /nfs/dbraw/zinc/93/15/41/407931541.db2.gz KNKQTQZKBCHYDI-CQSZACIVSA-N 0 3 313.467 1.534 50 0 DDAAHN Cc1noc(C)c1CNC(=O)CC[C@@H](C)N1CCN(C)CC1 ZINC000244795017 407939510 /nfs/dbraw/zinc/93/95/10/407939510.db2.gz QYDVCWNPSUEHLU-GFCCVEGCSA-N 0 3 308.426 1.324 50 0 DDAAHN CN(C)[C@@H]1CCN(CC(=O)N(Cc2cccc(O)c2)C2CC2)C1 ZINC000244842327 407941555 /nfs/dbraw/zinc/94/15/55/407941555.db2.gz UONLJULHFXCZSH-MRXNPFEDSA-N 0 3 317.433 1.519 50 0 DDAAHN CN1C[C@]2(CCCN(CCn3cnc4ccccc43)C2)OC1=O ZINC000244884207 407944218 /nfs/dbraw/zinc/94/42/18/407944218.db2.gz YHJCNXGLHYIPDZ-KRWDZBQOSA-N 0 3 314.389 1.953 50 0 DDAAHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)C[C@H]1CCCCO1 ZINC000247457551 408472570 /nfs/dbraw/zinc/47/25/70/408472570.db2.gz QMVDGLWMJYFMAC-MGPQQGTHSA-N 0 3 302.440 1.054 50 0 DDAAHN COc1cccc(CCNC(=O)[C@H](C)N2CCCC2)c1OC ZINC000299774673 410617647 /nfs/dbraw/zinc/61/76/47/410617647.db2.gz HKRFHZKSUVXGCN-ZDUSSCGKSA-N 0 3 306.406 1.847 50 0 DDAAHN CC1(C)C[C@H](NCCn2c(=O)oc3cccnc32)C(C)(C)O1 ZINC000119757657 418502872 /nfs/dbraw/zinc/50/28/72/418502872.db2.gz CHGVADBLHUITPX-LBPRGKRZSA-N 0 3 305.378 1.925 50 0 DDAAHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)N(C)C1CCCCC1 ZINC000257365423 418567951 /nfs/dbraw/zinc/56/79/51/418567951.db2.gz JADBJDPIYYCYFL-ZFWWWQNUSA-N 0 3 315.483 1.664 50 0 DDAAHN C[C@@H]1CN(C(=O)CN(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@@H](C)O1 ZINC000245344104 222215413 /nfs/dbraw/zinc/21/54/13/222215413.db2.gz XNOWSQITMDVGQK-CNRIWFPOSA-N 0 3 310.438 1.368 50 0 DDAAHN CC(C)=CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000408518559 418807235 /nfs/dbraw/zinc/80/72/35/418807235.db2.gz NODXQAVSXWUMOE-GJZGRUSLSA-N 0 3 309.454 1.646 50 0 DDAAHN CC(C)(C(=O)NCCc1noc(C2CCC2)n1)N1CCCC1 ZINC000426383346 419454320 /nfs/dbraw/zinc/45/43/20/419454320.db2.gz SNTIFWOKRCRUCQ-UHFFFAOYSA-N 0 3 306.410 1.870 50 0 DDAAHN CN(CCc1ccccc1)C(=O)NCCN1CCC[C@@H](CO)C1 ZINC000426739027 419544024 /nfs/dbraw/zinc/54/40/24/419544024.db2.gz JJZPTFVWIGJZAA-QGZVFWFLSA-N 0 3 319.449 1.575 50 0 DDAAHN CC(C)(C)OC(=O)NC[C@H]1CCCN1C[C@H]1COCCO1 ZINC000495971877 421108642 /nfs/dbraw/zinc/10/86/42/421108642.db2.gz 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/nfs/dbraw/zinc/99/27/69/483992769.db2.gz CEDNHDGMUOSUCG-OAHLLOKOSA-N 0 3 307.442 1.056 50 0 DDAAHN CC(C)N1C(=O)N[C@@]2(CCN(CCc3cccs3)C2)C1=O ZINC000084597375 483997682 /nfs/dbraw/zinc/99/76/82/483997682.db2.gz WOLSGYNKVUSXRN-OAHLLOKOSA-N 0 3 307.419 1.695 50 0 DDAAHN NC1(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)CCCC1 ZINC000170049138 545647901 /nfs/dbraw/zinc/64/79/01/545647901.db2.gz NFTFIQRXOXNWDV-UHFFFAOYSA-N 0 3 311.323 1.303 50 0 DDAAHN Nc1nc2c(c(NC[C@@H]3OCCc4ccccc43)n1)CCNC2 ZINC000067921270 696365156 /nfs/dbraw/zinc/36/51/56/696365156.db2.gz RALFHUHQLURFOD-HNNXBMFYSA-N 0 3 311.389 1.430 50 0 DDAAHN CN(CC(=O)N1CC[C@@H](Cc2ccc(=O)[nH]c2)C1)C1CCCC1 ZINC000091988414 696592040 /nfs/dbraw/zinc/59/20/40/696592040.db2.gz BCBVFUHNRCUMFT-HNNXBMFYSA-N 0 3 317.433 1.640 50 0 DDAAHN Cc1nn(C)c(C)c1[C@H](N)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000958528490 716612864 /nfs/dbraw/zinc/61/28/64/716612864.db2.gz UVJYZYLXGGBOBV-BBRMVZONSA-N 0 3 324.425 1.409 50 0 DDAAHN CN1C[C@]2(CCCN(C(=O)CN3CCCCCC3)CC2)OC1=O 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/nfs/dbraw/zinc/59/14/24/407591424.db2.gz PRSVTYXNOIPSIJ-INIZCTEOSA-N 0 3 305.422 1.119 50 0 DDAAHN O=C(NCCn1cncn1)C1(N2CCCCC2)CCCCC1 ZINC000220504194 407541102 /nfs/dbraw/zinc/54/11/02/407541102.db2.gz TZRPWTOMKVNTGU-UHFFFAOYSA-N 0 3 305.426 1.583 50 0 DDAAHN CN(C)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)nn1 ZINC000229474608 407664945 /nfs/dbraw/zinc/66/49/45/407664945.db2.gz XQQSNVQSQXGTSF-UONOGXRCSA-N 0 3 303.410 1.241 50 0 DDAAHN COC1CCN(CCN2CCN(c3ccccc3)CC2)CC1 ZINC000240128341 407905975 /nfs/dbraw/zinc/90/59/75/407905975.db2.gz IQALAUZLPHQPKA-UHFFFAOYSA-N 0 3 303.450 1.919 50 0 DDAAHN CSCCCN1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1 ZINC000244601711 407927284 /nfs/dbraw/zinc/92/72/84/407927284.db2.gz DQQCPDVVYAGETG-HUUCEWRRSA-N 0 3 308.447 1.605 50 0 DDAAHN CC(C)n1cccc1C(=O)N(C)CC1CCN(CCO)CC1 ZINC000244873008 407942088 /nfs/dbraw/zinc/94/20/88/407942088.db2.gz WIHLNJQJECWEGR-UHFFFAOYSA-N 0 3 307.438 1.845 50 0 DDAAHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccnc(N)c3)C2)n1 ZINC000191486086 408432504 /nfs/dbraw/zinc/43/25/04/408432504.db2.gz LGOLDXAJBRZWHC-OAHLLOKOSA-N 0 3 300.410 1.784 50 0 DDAAHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cn[nH]c1 ZINC000192232314 408561596 /nfs/dbraw/zinc/56/15/96/408561596.db2.gz SRBFJMAPYQUSMB-INIZCTEOSA-N 0 3 314.389 1.431 50 0 DDAAHN CCn1c2cc(Br)ccc2nc1NC(=O)CNC ZINC000193141763 408699204 /nfs/dbraw/zinc/69/92/04/408699204.db2.gz LPFPWVOYBYARKW-UHFFFAOYSA-N 0 3 311.183 1.977 50 0 DDAAHN COc1ccc(CN2C[C@@H](CO)[C@H](c3nc(C)no3)C2)cc1C ZINC000253409080 408814561 /nfs/dbraw/zinc/81/45/61/408814561.db2.gz LJMKLTPCVPBUMU-LSDHHAIUSA-N 0 3 317.389 1.903 50 0 DDAAHN Cc1ccccc1-c1csc(NC(=O)[C@H]2C[C@H](O)CN2)n1 ZINC000277619571 408979085 /nfs/dbraw/zinc/97/90/85/408979085.db2.gz QVIDNKQIBXQEAC-CMPLNLGQSA-N 0 3 303.387 1.780 50 0 DDAAHN Cn1c2cc(C(=O)N3CC[C@@H]4CC[C@H](C3)N4C)ccc2oc1=O ZINC000299781835 410625406 /nfs/dbraw/zinc/62/54/06/410625406.db2.gz UYARCUBCWFDVIL-QWHCGFSZSA-N 0 3 315.373 1.440 50 0 DDAAHN O=C(C1CCC1)N1CCn2nc(CNC3CCOCC3)cc2C1 ZINC000299800604 410638346 /nfs/dbraw/zinc/63/83/46/410638346.db2.gz UGCOVFCXZBONCW-UHFFFAOYSA-N 0 3 318.421 1.294 50 0 DDAAHN C[C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)n1cncn1 ZINC000044908820 418432617 /nfs/dbraw/zinc/43/26/17/418432617.db2.gz IJUGAWXHZYEAON-CHWSQXEVSA-N 0 3 319.434 1.854 50 0 DDAAHN C[C@H](CN1CCCC1=O)NCc1ccc(-n2cncn2)c(F)c1 ZINC000048780133 418474248 /nfs/dbraw/zinc/47/42/48/418474248.db2.gz BASDVTYRYSFAHG-GFCCVEGCSA-N 0 3 317.368 1.507 50 0 DDAAHN C[C@H](NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1cccnc1 ZINC000108371043 418499809 /nfs/dbraw/zinc/49/98/09/418499809.db2.gz KERQVAZAWJABMB-BHYGNILZSA-N 0 3 305.422 1.470 50 0 DDAAHN CC1CCN(C[C@H](O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000252463375 222244222 /nfs/dbraw/zinc/24/42/22/222244222.db2.gz DYHJWGGTSIULJN-RRFJBIMHSA-N 0 3 306.406 1.030 50 0 DDAAHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)[C@@H]1CCCOC1 ZINC000408517085 418806831 /nfs/dbraw/zinc/80/68/31/418806831.db2.gz RXCNRNITEMMRCS-GDBMZVCRSA-N 0 3 304.390 1.618 50 0 DDAAHN Cc1ccc(C(=O)NC[C@@H]2COCCN(C)C2)n1C(F)F ZINC000426689131 419530095 /nfs/dbraw/zinc/53/00/95/419530095.db2.gz HLPIZJKSEOZNPZ-NSHDSACASA-N 0 3 301.337 1.500 50 0 DDAAHN O=C(c1cncc(F)c1)N1CCN([C@@H]2CN3CCC2CC3)CC1 ZINC000426386941 228565321 /nfs/dbraw/zinc/56/53/21/228565321.db2.gz RLDGVLLBGWQFHL-MRXNPFEDSA-N 0 3 318.396 1.073 50 0 DDAAHN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NCc1cnnn1C ZINC000496668477 421295963 /nfs/dbraw/zinc/29/59/63/421295963.db2.gz RHOVPJWPMDZRMA-DYEKYZERSA-N 0 3 323.441 1.939 50 0 DDAAHN CC(=O)Nc1ccc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)cc1 ZINC000097505677 275792985 /nfs/dbraw/zinc/79/29/85/275792985.db2.gz KECIHHSZGGSLHV-ROUUACIJSA-N 0 3 317.433 1.676 50 0 DDAAHN C[C@H](C(=O)N1CCc2sccc2C1)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408045943 279208143 /nfs/dbraw/zinc/20/81/43/279208143.db2.gz ACBKTDBPNLYACL-NQBHXWOUSA-N 0 3 321.446 1.075 50 0 DDAAHN Cc1[nH]c(=O)c(C(=O)N2[C@@H]3CC[C@H]2CNCC3)c(C)c1Cl ZINC000097732564 280182357 /nfs/dbraw/zinc/18/23/57/280182357.db2.gz KEIPYIWVOHSCFE-MNOVXSKESA-N 0 3 309.797 1.612 50 0 DDAAHN CNC(=O)CCCNC(=O)N(C)[C@@H](CN(C)C)c1ccccc1 ZINC000534668520 334319836 /nfs/dbraw/zinc/31/98/36/334319836.db2.gz YKVZPYUCQOLPEN-HNNXBMFYSA-N 0 3 320.437 1.457 50 0 DDAAHN CCn1cc([C@@H]2OCC[C@@H]2CN[C@@H](C)C(=O)N2CCCC2)cn1 ZINC000083843407 483985396 /nfs/dbraw/zinc/98/53/96/483985396.db2.gz IIZNWQKOZLYTRN-SQWLQELKSA-N 0 3 320.437 1.581 50 0 DDAAHN CC[C@@H](O)C1CCN(Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000216125603 484140694 /nfs/dbraw/zinc/14/06/94/484140694.db2.gz MIEWUOMNSRQZFN-MRXNPFEDSA-N 0 3 306.406 1.534 50 0 DDAAHN Cc1n[nH]c(C)c1CCCN(C)Cc1c(C)nn(CCO)c1C ZINC000670441738 484831138 /nfs/dbraw/zinc/83/11/38/484831138.db2.gz RZOFMXIQERVTKX-UHFFFAOYSA-N 0 3 319.453 1.897 50 0 DDAAHN CN(C)[C@H]1CCCN(S(=O)(=O)N(C)Cc2ccccc2)C1 ZINC000670461644 484846034 /nfs/dbraw/zinc/84/60/34/484846034.db2.gz NQWVASKIMWFYDI-HNNXBMFYSA-N 0 3 311.451 1.389 50 0 DDAAHN C[C@H](NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cnn(C)c1 ZINC000222114026 490698988 /nfs/dbraw/zinc/69/89/88/490698988.db2.gz SIJGEECOZVJRGQ-BMGDILEWSA-N 0 3 314.433 1.706 50 0 DDAAHN CCN1CC[C@@H](NC(=O)N2CCN(c3ccccc3O)CC2)C1 ZINC000413817018 527773363 /nfs/dbraw/zinc/77/33/63/527773363.db2.gz KMCSOVFHBNLJIC-CQSZACIVSA-N 0 3 318.421 1.318 50 0 DDAAHN Cn1cc(/C=C\C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000103331770 696613588 /nfs/dbraw/zinc/61/35/88/696613588.db2.gz GEILKRJXRAVBNI-QWPQOLDESA-N 0 3 310.401 1.824 50 0 DDAAHN CC(C)N1CCCN(C(=O)[C@H]2CC(=O)OC23CCCC3)CC1 ZINC000952964432 721528792 /nfs/dbraw/zinc/52/87/92/721528792.db2.gz QDFTUNFAPYFUBN-CQSZACIVSA-N 0 3 308.422 1.805 50 0 DDAAHN CN(C)c1ccc(NC(=O)CCN2CCN(C)CC2)cc1Cl ZINC000823789480 758362779 /nfs/dbraw/zinc/36/27/79/758362779.db2.gz VREVVUWAAWEPDR-UHFFFAOYSA-N 0 3 324.856 1.982 50 0 DDAAHN CN(C)CCN(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000072309987 282091167 /nfs/dbraw/zinc/09/11/67/282091167.db2.gz MHIYCEVAOPQFSN-OAHLLOKOSA-N 0 3 319.405 1.438 50 0 DDAAHN CCn1nc(C)cc1C(=O)N(CCN(C)C)Cc1cccnc1 ZINC000079050207 185149507 /nfs/dbraw/zinc/14/95/07/185149507.db2.gz IUHNRCSUZHLBRE-UHFFFAOYSA-N 0 3 315.421 1.810 50 0 DDAAHN CCN1CCC[C@@H]1CNC(=O)CCc1nc2cccnc2[nH]1 ZINC000079477665 185173218 /nfs/dbraw/zinc/17/32/18/185173218.db2.gz BKPRUMFXVHUNTF-GFCCVEGCSA-N 0 3 301.394 1.491 50 0 DDAAHN CCO[C@H]1CN(CCC(=O)N2CCCc3ccccc32)C[C@@H]1O ZINC000222656191 539265722 /nfs/dbraw/zinc/26/57/22/539265722.db2.gz GVSQLQYDEGWKHZ-IRXDYDNUSA-N 0 3 318.417 1.438 50 0 DDAAHN CN(C)[C@@H]1C[C@@H](CO)N(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000222678874 539265774 /nfs/dbraw/zinc/26/57/74/539265774.db2.gz UCDLKYRYXDMQGE-KGLIPLIRSA-N 0 3 301.390 1.234 50 0 DDAAHN CCN(CCNC(=O)NCc1nnc2n1CCCCC2)C1CC1 ZINC000089969211 185272454 /nfs/dbraw/zinc/27/24/54/185272454.db2.gz QIHFQYBJDHSEKA-UHFFFAOYSA-N 0 3 320.441 1.288 50 0 DDAAHN Cc1cc(N2CC[C@H](N[C@H]3CC(C)(C)OC3(C)C)C2=O)n(C)n1 ZINC000090170887 185284517 /nfs/dbraw/zinc/28/45/17/185284517.db2.gz YWLRFEYIRQGXSG-STQMWFEESA-N 0 3 320.437 1.770 50 0 DDAAHN Cc1cc(N2CC[C@@H](N[C@H]3CC(C)(C)OC3(C)C)C2=O)n(C)n1 ZINC000090170889 185284661 /nfs/dbraw/zinc/28/46/61/185284661.db2.gz YWLRFEYIRQGXSG-OLZOCXBDSA-N 0 3 320.437 1.770 50 0 DDAAHN CN(CCCN1CCN(C)CC1)CC[S@@](=O)c1ccccc1 ZINC000095446771 185367505 /nfs/dbraw/zinc/36/75/05/185367505.db2.gz MIBRRFBQMMSYRQ-QFIPXVFZSA-N 0 3 323.506 1.364 50 0 DDAAHN O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccn2cncc2c1 ZINC000095446917 185367813 /nfs/dbraw/zinc/36/78/13/185367813.db2.gz GJKMBAKKZPYBFM-GDBMZVCRSA-N 0 3 314.389 1.317 50 0 DDAAHN O=C(NCc1nc(Cc2cccs2)no1)[C@@H]1CCCCN1 ZINC000071750347 191022693 /nfs/dbraw/zinc/02/26/93/191022693.db2.gz MYUZTYWKRVWUTE-NSHDSACASA-N 0 3 306.391 1.480 50 0 DDAAHN C[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(Cc1cccc(O)c1)CC2 ZINC000072135282 191046059 /nfs/dbraw/zinc/04/60/59/191046059.db2.gz GLAWSZVEBJURMT-HNNXBMFYSA-N 0 3 304.390 1.763 50 0 DDAAHN C[N@H+]1CC2(C[C@H]1C(=O)[O-])CCN(Cc1cccc(O)c1)CC2 ZINC000072135282 191046062 /nfs/dbraw/zinc/04/60/62/191046062.db2.gz GLAWSZVEBJURMT-HNNXBMFYSA-N 0 3 304.390 1.763 50 0 DDAAHN CCOc1ccc(CN2CCC[C@@](O)(CO)CC2)cc1OC ZINC000072145490 191051241 /nfs/dbraw/zinc/05/12/41/191051241.db2.gz AFAPBMWXDJLDJC-KRWDZBQOSA-N 0 3 309.406 1.803 50 0 DDAAHN CNc1cc(N2CCC[C@H]2CNCc2cccnc2C)ncn1 ZINC000072254078 191088794 /nfs/dbraw/zinc/08/87/94/191088794.db2.gz JWPXVMYSRPDCDG-HNNXBMFYSA-N 0 3 312.421 1.980 50 0 DDAAHN CCN1CCN(CCC(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000072280451 191100906 /nfs/dbraw/zinc/10/09/06/191100906.db2.gz BJGCWGLXRXYHRB-KRWDZBQOSA-N 0 3 301.434 1.818 50 0 DDAAHN Cn1nc2c(cc1=O)CN(Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000072302310 191115285 /nfs/dbraw/zinc/11/52/85/191115285.db2.gz LYPVJCIKZAVYJC-UHFFFAOYSA-N 0 3 321.384 1.524 50 0 DDAAHN CCCN(C)[C@H]1CN(C(=O)CSc2ccncc2)C[C@@H]1O ZINC000072409453 191154707 /nfs/dbraw/zinc/15/47/07/191154707.db2.gz SPCOAFURYIKCSU-KBPBESRZSA-N 0 3 309.435 1.087 50 0 DDAAHN Cc1cc(C)c(CN2CCC[C@@](O)(CO)C2)c(-n2cccn2)c1 ZINC000072419343 191156643 /nfs/dbraw/zinc/15/66/43/191156643.db2.gz MOWAGQQSEKRNCS-SFHVURJKSA-N 0 3 315.417 1.808 50 0 DDAAHN Cc1ncc2c(c1CNC(=O)[C@@H]1Cc3ccccc3O1)CCNC2 ZINC000072456982 191172873 /nfs/dbraw/zinc/17/28/73/191172873.db2.gz IXORQGUOABLPHC-SFHVURJKSA-N 0 3 323.396 1.656 50 0 DDAAHN Cc1cc(C)c(CNC(=O)N[C@@H](C)CN2CCCC2)c(=O)[nH]1 ZINC000075122248 353348903 /nfs/dbraw/zinc/34/89/03/353348903.db2.gz LDOILVOSBKGNPC-ZDUSSCGKSA-N 0 3 306.410 1.275 50 0 DDAAHN Cc1nc(CN(C)[C@@H]2CCN(CCCc3cn[nH]c3)C2)no1 ZINC000076047308 353393360 /nfs/dbraw/zinc/39/33/60/353393360.db2.gz SUQKXJLRLWACLM-CQSZACIVSA-N 0 3 304.398 1.240 50 0 DDAAHN CCc1nc(CN(C)[C@@H]2CCN(C[C@@H]3CCCCO3)C2)no1 ZINC000078891464 353538358 /nfs/dbraw/zinc/53/83/58/353538358.db2.gz LEVSKQWJMBQDQL-KGLIPLIRSA-N 0 3 308.426 1.707 50 0 DDAAHN c1cn2c(n1)[C@H](CNCc1cnc(N3CCCC3)nc1)CCC2 ZINC000084613345 353725011 /nfs/dbraw/zinc/72/50/11/353725011.db2.gz VPQFRZVNMGUEQT-HNNXBMFYSA-N 0 3 312.421 1.941 50 0 DDAAHN Cc1cnn(C[C@H]2CCCCN2C[C@@H](O)Cn2cccn2)c1 ZINC000106844456 353942453 /nfs/dbraw/zinc/94/24/53/353942453.db2.gz NQJVMAPEGHRPMM-HZPDHXFCSA-N 0 3 303.410 1.304 50 0 DDAAHN COc1ccc(CC[C@@H](C)[NH2+]CCc2nc(N)cc(=O)[n-]2)cc1 ZINC000584887255 354790665 /nfs/dbraw/zinc/79/06/65/354790665.db2.gz BVVIZABHVLPOGP-GFCCVEGCSA-N 0 3 316.405 1.926 50 0 DDAAHN Cc1nc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cs1 ZINC000073472897 191319059 /nfs/dbraw/zinc/31/90/59/191319059.db2.gz DQLVLVOQKLBGFS-ZYHUDNBSSA-N 0 3 324.450 1.039 50 0 DDAAHN NCc1nc2cc(Cc3ccc4[nH]c(CN)nc4c3)ccc2[nH]1 ZINC000005687383 181272813 /nfs/dbraw/zinc/27/28/13/181272813.db2.gz YSSSNWBTJZFNFW-UHFFFAOYSA-N 0 3 306.373 1.947 50 0 DDAAHN C[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)C)[C@@H](N)c1ccccc1 ZINC000195538868 201402309 /nfs/dbraw/zinc/40/23/09/201402309.db2.gz AIVYURAINBCRKO-AEGPPILISA-N 0 3 303.406 1.402 50 0 DDAAHN COCCN1CC2(CCC1=O)CCN(Cc1cnn(C)c1)CC2 ZINC000091595969 193077456 /nfs/dbraw/zinc/07/74/56/193077456.db2.gz PUGWJOBCMGAMTC-UHFFFAOYSA-N 0 3 320.437 1.271 50 0 DDAAHN Cc1noc(C)c1Cn1ncc(N2CCCN(C)CC2)cc1=O ZINC000020997345 182258166 /nfs/dbraw/zinc/25/81/66/182258166.db2.gz CJXDXBDMVYRYIU-UHFFFAOYSA-N 0 3 317.393 1.038 50 0 DDAAHN Cc1cc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)[nH]n1 ZINC000039518510 183020273 /nfs/dbraw/zinc/02/02/73/183020273.db2.gz JPLOVHDOWBAXSO-QGZVFWFLSA-N 0 3 306.454 1.919 50 0 DDAAHN C[C@H](CNC(=O)NCc1ccc(F)cc1)CN1CCN(C)CC1 ZINC000040554352 183101151 /nfs/dbraw/zinc/10/11/51/183101151.db2.gz WMRREBHMZKLGFA-CQSZACIVSA-N 0 3 322.428 1.508 50 0 DDAAHN Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCCN1CCCC1)O2 ZINC000040808735 183136884 /nfs/dbraw/zinc/13/68/84/183136884.db2.gz ZEDJKMSSLVUFHF-KRWDZBQOSA-N 0 3 317.389 1.297 50 0 DDAAHN Cc1cc(C[C@@H](C)NC(=O)N2CCN(C3CC3)C[C@@H](C)C2)[nH]n1 ZINC000333991280 249172656 /nfs/dbraw/zinc/17/26/56/249172656.db2.gz KGBSKNZIURLROH-CHWSQXEVSA-N 0 3 319.453 1.775 50 0 DDAAHN Cc1nn(C)c2ncc(CNC[C@@H]3CN(C4CC4)CCO3)cc12 ZINC000106379539 194203861 /nfs/dbraw/zinc/20/38/61/194203861.db2.gz SXRUBCMDKOHAGL-OAHLLOKOSA-N 0 3 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/nfs/dbraw/zinc/45/65/97/407456597.db2.gz WGTREZGGBINDFV-UHFFFAOYSA-N 0 3 320.393 1.174 50 0 DDAAHN CC(C)c1nccn1CCCNC(=O)CCN1CCN(C)CC1 ZINC000219283278 407530323 /nfs/dbraw/zinc/53/03/23/407530323.db2.gz LMHFBIOEZYTAAD-UHFFFAOYSA-N 0 3 321.469 1.150 50 0 DDAAHN Cc1nc(CN2CCN(C(=O)[C@]3(C)CCCCN3)CC2)oc1C ZINC000237731548 407839692 /nfs/dbraw/zinc/83/96/92/407839692.db2.gz ROZVXQGCBHJPNF-KRWDZBQOSA-N 0 3 320.437 1.468 50 0 DDAAHN CN(CCC(=O)Nc1ccc(F)cc1F)C[C@H]1COCCO1 ZINC000244899509 407945226 /nfs/dbraw/zinc/94/52/26/407945226.db2.gz ZKWBIDXCCRSTOE-LBPRGKRZSA-N 0 3 314.332 1.641 50 0 DDAAHN C[C@@H]1CN(CCN2CCN(Cc3ccccc3)CC2)CCCO1 ZINC000244874853 407945727 /nfs/dbraw/zinc/94/57/27/407945727.db2.gz XIIVLYCWFHYVHS-GOSISDBHSA-N 0 3 317.477 1.915 50 0 DDAAHN CCc1nccn1CCN1CCCN(c2ncccn2)CC1 ZINC000244724637 407933715 /nfs/dbraw/zinc/93/37/15/407933715.db2.gz MXUYLEMLWFFIBU-UHFFFAOYSA-N 0 3 300.410 1.448 50 0 DDAAHN COc1ccc(F)cc1[C@H](NC(=O)C1(N)CC1)[C@H]1C[C@@H](O)C1 ZINC000244816962 407942344 /nfs/dbraw/zinc/94/23/44/407942344.db2.gz SRUGTFOAPOWKDD-OLUVUFQESA-N 0 3 308.353 1.254 50 0 DDAAHN O[C@H](COc1ccccc1)CN1CCC[C@H]1Cn1cncn1 ZINC000247741152 408506204 /nfs/dbraw/zinc/50/62/04/408506204.db2.gz OFYJVMIFBXILGE-GJZGRUSLSA-N 0 3 302.378 1.182 50 0 DDAAHN CN(C)c1noc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)n1 ZINC000192766686 408643950 /nfs/dbraw/zinc/64/39/50/408643950.db2.gz WNTDWZZXCYAUBK-OCCSQVGLSA-N 0 3 305.426 1.584 50 0 DDAAHN O=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@@H]1CCCNC1 ZINC000252488950 408798659 /nfs/dbraw/zinc/79/86/59/408798659.db2.gz JCOHJFTWJZFUCQ-SNVBAGLBSA-N 0 3 306.790 1.651 50 0 DDAAHN C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1cc(F)ccc1F ZINC000252668183 408808984 /nfs/dbraw/zinc/80/89/84/408808984.db2.gz DWDCSSLYJUNAMS-IINYFYTJSA-N 0 3 318.389 1.724 50 0 DDAAHN CNS(=O)(=O)c1ccc([C@H](C)NC[C@@H]2CC[C@@H](C)O2)cc1 ZINC000191047506 163170031 /nfs/dbraw/zinc/17/00/31/163170031.db2.gz TVSMSIKGHOFUMA-DYEKYZERSA-N 0 3 312.435 1.813 50 0 DDAAHN CC[C@H](NC(=O)CN1CCCN(C)CC1)c1cc(C)ccn1 ZINC000299772883 410617199 /nfs/dbraw/zinc/61/71/99/410617199.db2.gz CXNYIRGATQWMLR-HNNXBMFYSA-N 0 3 304.438 1.595 50 0 DDAAHN CCCn1nccc1NC(=O)NCCN1CCC[C@@H](CO)C1 ZINC000299789146 410628256 /nfs/dbraw/zinc/62/82/56/410628256.db2.gz WJTGUHWKTQWQHC-CYBMUJFWSA-N 0 3 309.414 1.119 50 0 DDAAHN O=C(NCC1CCN(CCO)CC1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000132627886 196271924 /nfs/dbraw/zinc/27/19/24/196271924.db2.gz OYUWRUIQZGLACF-XYPWUTKMSA-N 0 3 322.449 1.202 50 0 DDAAHN CC(C)C(=O)NCCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000048004180 418463637 /nfs/dbraw/zinc/46/36/37/418463637.db2.gz OSPUAODLEWZYLC-HNNXBMFYSA-N 0 3 320.437 1.361 50 0 DDAAHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000257365429 222251059 /nfs/dbraw/zinc/25/10/59/222251059.db2.gz LQMTZHSNKRRHRA-WFASDCNBSA-N 0 3 322.430 1.574 50 0 DDAAHN Cc1cccc(N2CCN(C[C@H]3CCC4(CNC4)O3)CC2)c1 ZINC000662261190 424525750 /nfs/dbraw/zinc/52/57/50/424525750.db2.gz UJIOUWQKZAXEHA-QGZVFWFLSA-N 0 3 301.434 1.638 50 0 DDAAHN CC[C@H](C)[C@H](N)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000004047047 287716263 /nfs/dbraw/zinc/71/62/63/287716263.db2.gz KEPMHUZELDLQCA-ZWUHOBOKSA-N 0 3 303.406 1.167 50 0 biogenic DDAAHN C[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])[C@@H]1C[NH3+] ZINC000156871417 274289746 /nfs/dbraw/zinc/28/97/46/274289746.db2.gz PPXVJHJHGYRDLK-ZWNOBZJWSA-N 0 3 300.362 1.123 50 0 DDAAHN Cn1cc(N2CC[C@H](N[C@H]3CC(C)(C)OC3(C)C)C2=O)cn1 ZINC000090017570 274893173 /nfs/dbraw/zinc/89/31/73/274893173.db2.gz NCHBPQZEKUAUSR-STQMWFEESA-N 0 3 306.410 1.461 50 0 DDAAHN COCCN1C[C@@]2(CCCN(c3ccncc3)C2)CCC1=O ZINC000085533899 277227656 /nfs/dbraw/zinc/22/76/56/277227656.db2.gz AMDNNYFJQQETLM-KRWDZBQOSA-N 0 3 303.406 1.937 50 0 DDAAHN CCOc1c(CNC(=O)N(C)[C@H]2CCN(C)C2)cccc1OC ZINC000534587706 334292711 /nfs/dbraw/zinc/29/27/11/334292711.db2.gz FIHRBRHSUHHPMB-AWEZNQCLSA-N 0 3 321.421 1.939 50 0 DDAAHN O=C(NCCN1CCCCCC1)N[C@H](CO)Cc1ccccc1 ZINC000534665409 334318343 /nfs/dbraw/zinc/31/83/43/334318343.db2.gz 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/nfs/dbraw/zinc/56/45/28/539564528.db2.gz ITKFZOJQHYKQCP-GDBMZVCRSA-N 0 3 306.406 1.829 50 0 DDAAHN COc1ccc([C@H]2CCCN2C[C@@H]2CNCCO2)c(OC)c1 ZINC000685940163 539564854 /nfs/dbraw/zinc/56/48/54/539564854.db2.gz ITKFZOJQHYKQCP-GOEBONIOSA-N 0 3 306.406 1.829 50 0 DDAAHN COCCCN1C(=O)CC[C@H]2CN(Cc3cccnc3)CC[C@H]21 ZINC000072462785 191173205 /nfs/dbraw/zinc/17/32/05/191173205.db2.gz UEPNMMFSHZOCTN-DLBZAZTESA-N 0 3 317.433 1.931 50 0 DDAAHN CN1CCC[C@@H](CNC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000075607220 353371225 /nfs/dbraw/zinc/37/12/25/353371225.db2.gz XFGNKKYBQFVVSB-ZDUSSCGKSA-N 0 3 305.378 1.556 50 0 DDAAHN COc1ccc(F)cc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000078436207 353516554 /nfs/dbraw/zinc/51/65/54/353516554.db2.gz KCEYYFZGTHLAPU-CQSZACIVSA-N 0 3 308.397 1.988 50 0 DDAAHN CC[C@H](C(=O)NC1CCN(CC(F)F)CC1)N(CC)CC ZINC000078822487 353534439 /nfs/dbraw/zinc/53/44/39/353534439.db2.gz OWGWLRGUXOIELL-CYBMUJFWSA-N 0 3 305.413 1.953 50 0 DDAAHN CC[C@H](C(=O)N1CCN(Cc2ccc(Cl)cn2)CC1)N(C)C ZINC000097372932 353918976 /nfs/dbraw/zinc/91/89/76/353918976.db2.gz FMCBXPRBNGBFKV-OAHLLOKOSA-N 0 3 324.856 1.719 50 0 DDAAHN COc1ccc(C)cc1C(=O)NCCN1CCC[C@H](CO)C1 ZINC000584888609 354791545 /nfs/dbraw/zinc/79/15/45/354791545.db2.gz FCXCACYLQBHIIY-AWEZNQCLSA-N 0 3 306.406 1.438 50 0 DDAAHN CCN(CCN(C)C)C(=O)NCc1ccc2c(c1)nc(C)n2C ZINC000584897780 354798036 /nfs/dbraw/zinc/79/80/36/354798036.db2.gz JTLZPRSOCBQTDQ-UHFFFAOYSA-N 0 3 317.437 1.975 50 0 DDAAHN Cc1ccc(CN2CCC(CNC(=O)c3cncn3C)CC2)o1 ZINC000584899790 354799009 /nfs/dbraw/zinc/79/90/09/354799009.db2.gz SOVIUJVEBVPJRM-UHFFFAOYSA-N 0 3 316.405 1.964 50 0 DDAAHN CN1CCOC[C@H](CNC(=O)c2cc(F)ccc2Cl)C1 ZINC000584903387 354801917 /nfs/dbraw/zinc/80/19/17/354801917.db2.gz MFBWCAJJURPIGX-SNVBAGLBSA-N 0 3 300.761 1.787 50 0 DDAAHN Cc1nn(C[C@H](C)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c(=O)o1 ZINC000585141264 354814811 /nfs/dbraw/zinc/81/48/11/354814811.db2.gz SHEJGUPHQQLMJK-ZENOOKHLSA-N 0 3 318.421 1.814 50 0 DDAAHN COCCn1cncc1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000584894676 354796426 /nfs/dbraw/zinc/79/64/26/354796426.db2.gz OLKAFXPPNCHICS-CQSZACIVSA-N 0 3 308.426 1.410 50 0 DDAAHN CN(C)CCn1c2ccccc2n(C[C@@H](O)c2ccco2)c1=N ZINC000005129022 181207039 /nfs/dbraw/zinc/20/70/39/181207039.db2.gz DFUYIMOYSIFXIY-OAHLLOKOSA-N 0 3 314.389 1.810 50 0 DDAAHN NC(=O)[C@@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000040480033 283319422 /nfs/dbraw/zinc/31/94/22/283319422.db2.gz ZRJOSFORYBDVKI-MRXNPFEDSA-N 0 3 315.417 1.620 50 0 DDAAHN O=C(NCCN1CCCCC1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000034915946 182744319 /nfs/dbraw/zinc/74/43/19/182744319.db2.gz MJGULFHKLMPJCG-AWEZNQCLSA-N 0 3 319.405 1.230 50 0 DDAAHN O=C1CCN(c2nc(-c3ccccc3)nc3c2CCNC3)CCN1 ZINC000067673249 284798888 /nfs/dbraw/zinc/79/88/88/284798888.db2.gz OUOCMYPAQIBIOG-UHFFFAOYSA-N 0 3 323.400 1.116 50 0 DDAAHN CCC1(CC)NC(=O)N(C[C@@H](O)CN2CCC(C)CC2)C1=O ZINC000058172921 184084648 /nfs/dbraw/zinc/08/46/48/184084648.db2.gz VRBKTEKNSBMKAO-ZDUSSCGKSA-N 0 3 311.426 1.190 50 0 DDAAHN Nc1nnc(CCNC(=O)C2(N3CCCC3)CCCC2)s1 ZINC000065385525 184333474 /nfs/dbraw/zinc/33/34/74/184333474.db2.gz DHZRKKDRTHIFSG-UHFFFAOYSA-N 0 3 309.439 1.188 50 0 DDAAHN C[C@H](CNC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)N(C)C ZINC000065417461 184341579 /nfs/dbraw/zinc/34/15/79/184341579.db2.gz FYJBVMWIDPQYEE-VXGBXAGGSA-N 0 3 318.421 1.882 50 0 DDAAHN CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000065404078 184337897 /nfs/dbraw/zinc/33/78/97/184337897.db2.gz XRMHAGSJJPYAGS-AWEZNQCLSA-N 0 3 303.406 1.416 50 0 DDAAHN CN1CC[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC1=O ZINC000065502831 184356213 /nfs/dbraw/zinc/35/62/13/184356213.db2.gz AVDONIJRNUPFBT-INIZCTEOSA-N 0 3 321.465 1.579 50 0 DDAAHN COc1ccc(CNC[C@H]2CN(C)CCO2)cc1OCC1CC1 ZINC000065615066 184374481 /nfs/dbraw/zinc/37/44/81/184374481.db2.gz GQCNWLAMSNIRPQ-INIZCTEOSA-N 0 3 320.433 1.904 50 0 DDAAHN COCn1ncc(C)c1CN[C@@H]1CCCN(c2ncccn2)C1 ZINC000225836538 256597514 /nfs/dbraw/zinc/59/75/14/256597514.db2.gz WNCGMGCGYYITAA-CQSZACIVSA-N 0 3 316.409 1.344 50 0 DDAAHN CN(Cc1ccccc1)C[C@@H](O)Cn1ncc2ccccc2c1=O ZINC000069349637 406698143 /nfs/dbraw/zinc/69/81/43/406698143.db2.gz BOELBJJRLSLYBO-QGZVFWFLSA-N 0 3 323.396 1.889 50 0 DDAAHN C[C@H](Cn1cccn1)N[C@H](C)C(=O)NCCc1cccs1 ZINC000069371185 406702826 /nfs/dbraw/zinc/70/28/26/406702826.db2.gz UEYQOMZXQXILRA-CHWSQXEVSA-N 0 3 306.435 1.670 50 0 DDAAHN Cc1cnn(C[C@@H](C)N[C@H](C)C(=O)NCCc2cccs2)c1 ZINC000069778951 406772045 /nfs/dbraw/zinc/77/20/45/406772045.db2.gz DMPYIHRSXATGBL-ZIAGYGMSSA-N 0 3 320.462 1.979 50 0 DDAAHN C[C@H](Cn1cccn1)NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000069740447 406766604 /nfs/dbraw/zinc/76/66/04/406766604.db2.gz DXPKHUTWSJYKGD-HIFRSBDPSA-N 0 3 314.389 1.501 50 0 DDAAHN COc1ccc(Cl)cc1CNCCSc1nnnn1C ZINC000004998041 406728073 /nfs/dbraw/zinc/72/80/73/406728073.db2.gz YKFQLKGVCLWNAI-UHFFFAOYSA-N 0 3 313.814 1.754 50 0 DDAAHN CC[C@@H](C)[C@H](N)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000012662163 406849250 /nfs/dbraw/zinc/84/92/50/406849250.db2.gz KEPMHUZELDLQCA-FOCJUVANSA-N 0 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DDAAHN COC(=O)CC1(NC(=O)/C=C/c2ccc(C)o2)CCN(C)CC1 ZINC000079013335 696457176 /nfs/dbraw/zinc/45/71/76/696457176.db2.gz KLCKEKAFBDGARG-VOTSOKGWSA-N 0 3 320.389 1.745 50 0 DDAAHN COCCC(=O)N1Cc2ccccc2OC2(CCN(C)CC2)C1 ZINC000169792856 697346569 /nfs/dbraw/zinc/34/65/69/697346569.db2.gz ISKAQTUAAOCLEQ-UHFFFAOYSA-N 0 3 318.417 1.909 50 0 DDAAHN O=C(NCCc1ccccc1F)NCCN1CCC[C@H](CO)C1 ZINC000952980321 721531170 /nfs/dbraw/zinc/53/11/70/721531170.db2.gz WYDGCCGQZSSRFN-AWEZNQCLSA-N 0 3 323.412 1.372 50 0 DDAAHN Cc1ncc(CN2CCC[C@H](CNC(=O)c3ccoc3)C2)[nH]1 ZINC000828207409 759538997 /nfs/dbraw/zinc/53/89/97/759538997.db2.gz KQYITCKSQDKYFH-CYBMUJFWSA-N 0 3 302.378 1.953 50 0 DDAAHN CO[C@H]1CN(C(C)C)[C@H]1C1CCN(C(=O)c2nccn2C)CC1 ZINC000581813141 761715016 /nfs/dbraw/zinc/71/50/16/761715016.db2.gz DXZRQYJDRWRBHQ-GJZGRUSLSA-N 0 3 320.437 1.380 50 0 DDAAHN COc1ccsc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1N(C)C ZINC000584907931 771884651 /nfs/dbraw/zinc/88/46/51/771884651.db2.gz PFQZGAPROWAYGT-MNOVXSKESA-N 0 3 318.464 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50 0 DDAAHN N[C@H](CNS(=O)(=O)c1cccc2nonc21)c1ccccc1 ZINC000096483355 407271876 /nfs/dbraw/zinc/27/18/76/407271876.db2.gz BWBGUHOUGHXXHX-LLVKDONJSA-N 0 3 318.358 1.201 50 0 DDAAHN CC(C)CS(=O)(=O)N1CCC(NCc2ccccn2)CC1 ZINC000096494785 407273636 /nfs/dbraw/zinc/27/36/36/407273636.db2.gz VCODESWUPGISND-UHFFFAOYSA-N 0 3 311.451 1.621 50 0 DDAAHN O=C(CC(F)(F)F)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000097081776 407278659 /nfs/dbraw/zinc/27/86/59/407278659.db2.gz VYLZGZDVYWVIHH-ZDUSSCGKSA-N 0 3 316.323 1.822 50 0 DDAAHN Cn1ccnc1[C@@](O)(CCNCc1ccco1)C(F)(F)F ZINC000067698938 407280264 /nfs/dbraw/zinc/28/02/64/407280264.db2.gz TZCUGHDUFGKNST-LBPRGKRZSA-N 0 3 303.284 1.943 50 0 DDAAHN c1ccc(CCN2CCCO[C@H](CN3CCOCC3)C2)cc1 ZINC000097155852 407282798 /nfs/dbraw/zinc/28/27/98/407282798.db2.gz NVWKZJKTMWIPFP-SFHVURJKSA-N 0 3 304.434 1.652 50 0 DDAAHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1ccon1 ZINC000097237837 407289631 /nfs/dbraw/zinc/28/96/31/407289631.db2.gz XZAWOOPGFPZMNR-CQSZACIVSA-N 0 3 301.346 1.171 50 0 DDAAHN COC(=O)c1cn(C2CCN(CCc3ccccn3)CC2)nn1 ZINC000097376362 407292503 /nfs/dbraw/zinc/29/25/03/407292503.db2.gz PQSGLKHZDJGCAZ-UHFFFAOYSA-N 0 3 315.377 1.339 50 0 DDAAHN C[C@@H]1CN(C(=O)CN2C[C@H](O)C[C@H]2C2CCCCC2)C[C@@H](C)O1 ZINC000107352538 407373049 /nfs/dbraw/zinc/37/30/49/407373049.db2.gz RCHJQXHOFKRECN-SRABZTEZSA-N 0 3 324.465 1.638 50 0 DDAAHN CC(C)N1C(=O)C2(CCCC2)[C@@H]1C(=O)NCCN1CCCCC1 ZINC000257187864 407484387 /nfs/dbraw/zinc/48/43/87/407484387.db2.gz COOSTSZAMXXOMZ-HNNXBMFYSA-N 0 3 321.465 1.768 50 0 DDAAHN COC(=O)[C@@H]1C(=O)O[C@]2(C)CN(C)[C@@H](c3ccccc3)C[C@@H]12 ZINC000230144138 407681258 /nfs/dbraw/zinc/68/12/58/407681258.db2.gz NYAUGHCKPKQICT-ZOMKSWQUSA-N 0 3 303.358 1.784 50 0 DDAAHN C[C@H](N)C(=O)N(C)CCCc1cc(-c2ccccc2)n(C)n1 ZINC000237626619 407831502 /nfs/dbraw/zinc/83/15/02/407831502.db2.gz SABTXAKPHUSVDV-ZDUSSCGKSA-N 0 3 300.406 1.825 50 0 DDAAHN Cc1cc(N2CCN(CCn3cc(Cl)cn3)CC2)nc(N)n1 ZINC000240163617 407906383 /nfs/dbraw/zinc/90/63/83/407906383.db2.gz 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/nfs/dbraw/zinc/62/12/40/410621240.db2.gz MLDYEJYMERNYHX-HNNXBMFYSA-N 0 3 313.405 1.489 50 0 DDAAHN O=C(NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cnn[n-]1 ZINC000299775934 410621245 /nfs/dbraw/zinc/62/12/45/410621245.db2.gz MLDYEJYMERNYHX-HNNXBMFYSA-N 0 3 313.405 1.489 50 0 DDAAHN Cc1cn2cccc(C(=O)NCCN3CCCC[C@H]3CO)c2n1 ZINC000299781979 410624808 /nfs/dbraw/zinc/62/48/08/410624808.db2.gz FHNPZZYYGFYUAO-AWEZNQCLSA-N 0 3 316.405 1.219 50 0 DDAAHN CCN1CCN([C@@H](C)CNC(=O)N(C)Cc2cc(C)on2)CC1 ZINC000048275514 418467852 /nfs/dbraw/zinc/46/78/52/418467852.db2.gz RVQASCSIIGXYGX-ZDUSSCGKSA-N 0 3 323.441 1.150 50 0 DDAAHN CCCO[C@@H]1CCCN([C@H](C)C(=O)NC[C@H]2CCCO2)CC1 ZINC000245305043 222214481 /nfs/dbraw/zinc/21/44/81/222214481.db2.gz HTHVUGIRNLHBHC-BZUAXINKSA-N 0 3 312.454 1.951 50 0 DDAAHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cncc(F)c1 ZINC000257366405 222251210 /nfs/dbraw/zinc/25/12/10/222251210.db2.gz WNSHHZIFWCTUCE-STQMWFEESA-N 0 3 313.398 1.468 50 0 DDAAHN CCN1CCC[C@@H]1CNC(=O)N1CC(Oc2ccccc2)C1 ZINC000426658188 419524611 /nfs/dbraw/zinc/52/46/11/419524611.db2.gz HQRPWDGICIFUEL-CQSZACIVSA-N 0 3 303.406 1.944 50 0 DDAAHN O=C(NCCN1CCCC[C@@H]1CO)C1Cc2ccccc2C1 ZINC000426693942 419529986 /nfs/dbraw/zinc/52/99/86/419529986.db2.gz ZOLKFDDRNKHGRD-QGZVFWFLSA-N 0 3 302.418 1.364 50 0 DDAAHN C[C@@H](O)[C@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000585113780 422304480 /nfs/dbraw/zinc/30/44/80/422304480.db2.gz KQTJYDVHRDKJGP-DJIMGWMZSA-N 0 3 317.433 1.665 50 0 DDAAHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCCCCC2)CC1 ZINC000078953166 276384330 /nfs/dbraw/zinc/38/43/30/276384330.db2.gz YIDSQXOSUYPOOQ-INIZCTEOSA-N 0 3 310.486 1.846 50 0 DDAAHN CC(C)Cn1ccnc1CNC(=O)N1CCN2CCC1CC2 ZINC000375137391 301901042 /nfs/dbraw/zinc/90/10/42/301901042.db2.gz ZQLPGBMUDVBMJC-UHFFFAOYSA-N 0 3 305.426 1.529 50 0 DDAAHN O=C(Cc1ccc(F)c(F)c1)NCCN1CCCC[C@H]1CO ZINC000670435314 484827681 /nfs/dbraw/zinc/82/76/81/484827681.db2.gz VMUZJUSOUNWPNB-ZDUSSCGKSA-N 0 3 312.360 1.470 50 0 DDAAHN CC1CCN(C[C@@H]2CCCN(CCS(C)(=O)=O)C2)CC1 ZINC000154708099 521020249 /nfs/dbraw/zinc/02/02/49/521020249.db2.gz SYOAQLJSGJLFGM-OAHLLOKOSA-N 0 3 302.484 1.475 50 0 DDAAHN CCc1nn(C)c(C[C@H](N)c2nccn2C)c1Br ZINC000122402104 696721283 /nfs/dbraw/zinc/72/12/83/696721283.db2.gz HPUWJKVTXKPIQG-QMMMGPOBSA-N 0 3 312.215 1.721 50 0 DDAAHN C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000864087244 706064253 /nfs/dbraw/zinc/06/42/53/706064253.db2.gz PXYVSNYJAIJNSM-OASPWFOLSA-N 0 3 303.811 1.019 50 0 DDAAHN C[C@@H](C(=O)Nc1ccccc1CN1CCCC1)n1cnnn1 ZINC000952860075 775586686 /nfs/dbraw/zinc/58/66/86/775586686.db2.gz CQUIKGBOILRUBS-LBPRGKRZSA-N 0 3 300.366 1.469 50 0 DDAAHN COc1ccc2c(c1)OC[C@H](C(=O)N[C@H]1CCCN(C)C1)C2 ZINC000079323243 185165162 /nfs/dbraw/zinc/16/51/62/185165162.db2.gz QAMQHDZULQGTJB-KGLIPLIRSA-N 0 3 304.390 1.457 50 0 DDAAHN CNC(=O)NCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000090057246 185280151 /nfs/dbraw/zinc/28/01/51/185280151.db2.gz FOHHSXGJOBECFP-CQSZACIVSA-N 0 3 318.421 1.038 50 0 DDAAHN CCCN1CCCn2nc(CNC(=O)[C@@H]3CCOC3)cc2C1 ZINC000082120827 192359788 /nfs/dbraw/zinc/35/97/88/192359788.db2.gz WQNJSOZOEKLCIA-CYBMUJFWSA-N 0 3 306.410 1.152 50 0 DDAAHN CCn1ncc(CN[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)n1 ZINC000585087127 539556608 /nfs/dbraw/zinc/55/66/08/539556608.db2.gz POSCPHVBCZLHGK-WMLDXEAASA-N 0 3 314.437 1.693 50 0 DDAAHN O=C(CN1CCNCC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071712213 191010839 /nfs/dbraw/zinc/01/08/39/191010839.db2.gz VKAAUFUIWZQKGV-HNNXBMFYSA-N 0 3 323.824 1.145 50 0 DDAAHN O[C@@H]1C[C@H]2CN(Cc3cc(-c4ccccn4)no3)C[C@H]2C[C@@H]1O ZINC000072153044 191056967 /nfs/dbraw/zinc/05/69/67/191056967.db2.gz NLIBKACQVLLFHV-PRRDBKRISA-N 0 3 315.373 1.300 50 0 DDAAHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H](C)Cn1cccn1 ZINC000072281262 191101581 /nfs/dbraw/zinc/10/15/81/191101581.db2.gz HEBBPYYUKPMRGP-JQWIXIFHSA-N 0 3 304.398 1.239 50 0 DDAAHN CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@H](O)C2CCCCC2)C1 ZINC000225597744 186281835 /nfs/dbraw/zinc/28/18/35/186281835.db2.gz ISDITTIMAWELCX-CABCVRRESA-N 0 3 318.483 1.330 50 0 DDAAHN C[C@@H]1CCCC[N@@H+]1CCn1c(=O)c2cccnc2[n-]c1=S ZINC000020618243 352171058 /nfs/dbraw/zinc/17/10/58/352171058.db2.gz NQDIGCNMTDLFPU-LLVKDONJSA-N 0 3 304.419 1.955 50 0 DDAAHN C[C@@H]1CCCC[N@H+]1CCn1c(=O)c2cccnc2[n-]c1=S ZINC000020618243 352171061 /nfs/dbraw/zinc/17/10/61/352171061.db2.gz NQDIGCNMTDLFPU-LLVKDONJSA-N 0 3 304.419 1.955 50 0 DDAAHN CCN1CCO[C@H](CNCc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000106929834 353943483 /nfs/dbraw/zinc/94/34/83/353943483.db2.gz UCUGCTTVXFMABX-CZUORRHYSA-N 0 3 320.433 1.829 50 0 DDAAHN Cc1ccc(CN2CCC(CNC(=O)NC[C@@H](C)O)CC2)cc1 ZINC000225497241 354317895 /nfs/dbraw/zinc/31/78/95/354317895.db2.gz XKHSMXDCACOSKE-OAHLLOKOSA-N 0 3 319.449 1.887 50 0 DDAAHN Cn1cccc1CNCCSc1nnnn1-c1ccccc1 ZINC000004488586 181114429 /nfs/dbraw/zinc/11/44/29/181114429.db2.gz XFZHSFSODZABEV-UHFFFAOYSA-N 0 3 314.418 1.883 50 0 DDAAHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000004700657 181139133 /nfs/dbraw/zinc/13/91/33/181139133.db2.gz MFGIWXMTNSWQOD-AWEZNQCLSA-N 0 3 323.824 1.557 50 0 DDAAHN C[C@H](CCO)NCc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC000585137152 354812854 /nfs/dbraw/zinc/81/28/54/354812854.db2.gz KOCKZMVUYUVIJN-SNVBAGLBSA-N 0 3 316.348 1.930 50 0 DDAAHN NC(=O)C[C@@H]1CCCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000241653302 283292680 /nfs/dbraw/zinc/29/26/80/283292680.db2.gz PTZMOLPYDFXWKU-WFASDCNBSA-N 0 3 301.390 1.527 50 0 DDAAHN Cn1cc(C(=O)N2CCCNCC2)c(-c2ccc(F)cc2F)n1 ZINC000237881510 202377557 /nfs/dbraw/zinc/37/75/57/202377557.db2.gz BDKWWNLEKKMNBP-UHFFFAOYSA-N 0 3 320.343 1.801 50 0 DDAAHN N[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000237927832 202392907 /nfs/dbraw/zinc/39/29/07/202392907.db2.gz VNVINRLJEJWGLV-CYBMUJFWSA-N 0 3 322.430 1.576 50 0 DDAAHN CCc1cccc(OC[C@@H](O)CN(CCOC)CCOC)c1 ZINC000006552545 181353217 /nfs/dbraw/zinc/35/32/17/181353217.db2.gz KKYYGSMEKXEFPH-INIZCTEOSA-N 0 3 311.422 1.584 50 0 DDAAHN COc1ccc(F)cc1C(=O)N[C@H]1CN(CCO)C[C@@H]1C1CC1 ZINC000091636906 193083419 /nfs/dbraw/zinc/08/34/19/193083419.db2.gz HIBUPKDDVISSGL-CABCVRRESA-N 0 3 322.380 1.267 50 0 DDAAHN Cc1cc(NCC2(N3CCN(C)CC3)CCCCC2)nc(N)n1 ZINC000091986195 193137438 /nfs/dbraw/zinc/13/74/38/193137438.db2.gz WQIMOBBJNVDITA-UHFFFAOYSA-N 0 3 318.469 1.729 50 0 DDAAHN CCN1CCN(c2ccc(C(=O)N[C@H](C)CCOC)cc2)CC1 ZINC000096418671 193629878 /nfs/dbraw/zinc/62/98/78/193629878.db2.gz ZCCXVLVDGPBXQL-OAHLLOKOSA-N 0 3 319.449 1.983 50 0 DDAAHN CN1CCC(NC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)CC1 ZINC000020616868 182238992 /nfs/dbraw/zinc/23/89/92/182238992.db2.gz CZHOJIUMAKVBID-OAHLLOKOSA-N 0 3 305.353 1.529 50 0 DDAAHN C[C@@H](C(=O)NCCCN1CCc2ccccc2C1)n1cncn1 ZINC000040509348 183085973 /nfs/dbraw/zinc/08/59/73/183085973.db2.gz PGFNDEBFYRTKTM-AWEZNQCLSA-N 0 3 313.405 1.404 50 0 DDAAHN CN1CCC[C@@](O)(CN2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000041124058 183169260 /nfs/dbraw/zinc/16/92/60/183169260.db2.gz FVYUNFXANZJKHN-SFHVURJKSA-N 0 3 321.440 1.400 50 0 DDAAHN COCc1ccc(CN2CCN(CC(C)C)[C@H](CCO)C2)o1 ZINC000104422169 194006104 /nfs/dbraw/zinc/00/61/04/194006104.db2.gz VIIMKMQZJRQIQT-OAHLLOKOSA-N 0 3 310.438 1.951 50 0 DDAAHN Cc1cccc(OCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000058393215 184111884 /nfs/dbraw/zinc/11/18/84/184111884.db2.gz MMXSFXBEUQKGLS-GDBMZVCRSA-N 0 3 304.390 1.353 50 0 DDAAHN CCOc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000058405672 184113568 /nfs/dbraw/zinc/11/35/68/184113568.db2.gz TYSNNUHQRNFXMI-GDBMZVCRSA-N 0 3 304.390 1.678 50 0 DDAAHN Cc1nn(C)c(N(C)C)c1CNCCCCn1ccccc1=O ZINC000058421081 184115865 /nfs/dbraw/zinc/11/58/65/184115865.db2.gz HELLXVONLYZSCS-UHFFFAOYSA-N 0 3 317.437 1.526 50 0 DDAAHN COc1c(CNC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000065475075 184351959 /nfs/dbraw/zinc/35/19/59/184351959.db2.gz KYBMQBBIHJZETK-UPJWGTAASA-N 0 3 310.442 1.324 50 0 DDAAHN Cc1ccc(NC(=O)CNCCN2CCCC[C@H]2CO)c(C)c1 ZINC000065398912 184336453 /nfs/dbraw/zinc/33/64/53/184336453.db2.gz CFNIQFLCJQOXDS-INIZCTEOSA-N 0 3 319.449 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CCN1CC2(CCN(C(=O)CN3C[C@@H]4CC[C@H]3C4)CC2)OC1=O ZINC000077354949 279256241 /nfs/dbraw/zinc/25/62/41/279256241.db2.gz QFAPJDPFBXMYFU-KGLIPLIRSA-N 0 3 321.421 1.304 50 0 DDAAHN CCS(=O)(=O)C[C@H](C)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194100132 280005144 /nfs/dbraw/zinc/00/51/44/280005144.db2.gz XJLHOLISTCXFHP-REWJHTLYSA-N 0 3 301.452 1.747 50 0 DDAAHN O=C(C[C@@H]1CNCCO1)NCCCN1CCCc2ccccc21 ZINC000534578587 334288744 /nfs/dbraw/zinc/28/87/44/334288744.db2.gz OPTCVEOAVQXEFC-MRXNPFEDSA-N 0 3 317.433 1.324 50 0 DDAAHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)N(C)[C@H](C)C1CC1 ZINC000257365515 337383891 /nfs/dbraw/zinc/38/38/91/337383891.db2.gz HBKQSMZWIAYCPG-YUELXQCFSA-N 0 3 315.483 1.520 50 0 DDAAHN Cc1cnc(CN(C)[C@@H]2CCN(Cc3ccn(C)c(=O)c3)C2)o1 ZINC000084258976 483992879 /nfs/dbraw/zinc/99/28/79/483992879.db2.gz HPRIMZGPCFSETR-OAHLLOKOSA-N 0 3 316.405 1.388 50 0 DDAAHN COC[C@@H](C)N1CCN(CCc2ccc3c(c2)CCO3)CC1 ZINC000084640358 483998892 /nfs/dbraw/zinc/99/88/92/483998892.db2.gz 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CS(=O)(=O)[C@@H]1CCC[C@H]1NCc1ccc(-n2cccn2)cc1 ZINC000097033289 185399589 /nfs/dbraw/zinc/39/95/89/185399589.db2.gz WFZFHKTZNFPJFU-HZPDHXFCSA-N 0 3 319.430 1.928 50 0 DDAAHN COc1ccc([C@@H]2CCCN2C[C@@H]2CNCCO2)c(OC)c1 ZINC000685940164 539564442 /nfs/dbraw/zinc/56/44/42/539564442.db2.gz ITKFZOJQHYKQCP-HOCLYGCPSA-N 0 3 306.406 1.829 50 0 DDAAHN C[C@H](CNC(=O)N1CCO[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000072277863 191097785 /nfs/dbraw/zinc/09/77/85/191097785.db2.gz UCUAGUKNBLZLFZ-CABCVRRESA-N 0 3 305.422 1.937 50 0 DDAAHN CC(C)N1C(=O)N[C@]2(CCN(CCc3ccncc3)C2)C1=O ZINC000084597376 353724233 /nfs/dbraw/zinc/72/42/33/353724233.db2.gz JNATVIDNEJEPNN-INIZCTEOSA-N 0 3 302.378 1.029 50 0 DDAAHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C[C@@H]3CCOC3)C2)no1 ZINC000089289998 353764320 /nfs/dbraw/zinc/76/43/20/353764320.db2.gz RZRXEEGMZLOTEB-UONOGXRCSA-N 0 3 322.409 1.091 50 0 DDAAHN Cc1ccc(S(=O)(=O)N[C@H]2CCCNC2)c2cccnc12 ZINC000122902223 354028912 /nfs/dbraw/zinc/02/89/12/354028912.db2.gz FKLHMWBGWIKPBW-LBPRGKRZSA-N 0 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Cc1nc2n(n1)C[C@@H](NC[C@H](O)c1ccc(F)cc1F)CC2 ZINC000069952182 406796973 /nfs/dbraw/zinc/79/69/73/406796973.db2.gz AVQWUGKAFZMDBC-FZMZJTMJSA-N 0 3 308.332 1.503 50 0 DDAAHN COc1ccc(CC(=O)NC[C@@H]2CCCN(CCO)C2)cc1 ZINC000011814348 406830065 /nfs/dbraw/zinc/83/00/65/406830065.db2.gz QAJQTTHESUNMKN-HNNXBMFYSA-N 0 3 306.406 1.058 50 0 DDAAHN COCCCNCc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000012433373 406845940 /nfs/dbraw/zinc/84/59/40/406845940.db2.gz RXZRHPFPUKEYJE-UHFFFAOYSA-N 0 3 316.405 1.696 50 0 DDAAHN CC(C)[C@@H](C(=O)N1CCN(c2ccncc2)CC1)n1cncn1 ZINC000071819687 406846123 /nfs/dbraw/zinc/84/61/23/406846123.db2.gz ZBDLZUKGDMXQPC-HNNXBMFYSA-N 0 3 314.393 1.219 50 0 DDAAHN CC1CCN(C[C@@H](O)Cn2cnc3cc(F)ccc3c2=O)CC1 ZINC000071825037 406847598 /nfs/dbraw/zinc/84/75/98/406847598.db2.gz HJLXMYATJGTXNY-CQSZACIVSA-N 0 3 319.380 1.628 50 0 DDAAHN CCOCCN1CCN(CCC(=O)NC2CCCC2)C[C@@H]1C ZINC000071864801 406855633 /nfs/dbraw/zinc/85/56/33/406855633.db2.gz RNQGUDIBNPDGNB-HNNXBMFYSA-N 0 3 311.470 1.478 50 0 DDAAHN O=C(CN1CCCC[C@@H]1c1ccc(F)cc1)N1CCNCC1 ZINC000072170598 406874961 /nfs/dbraw/zinc/87/49/61/406874961.db2.gz GVFGCFCTPLIJTE-MRXNPFEDSA-N 0 3 305.397 1.785 50 0 DDAAHN CN1CCC(O)(CNC(=O)c2ncoc2-c2ccco2)CC1 ZINC000072310396 406880716 /nfs/dbraw/zinc/88/07/16/406880716.db2.gz FJKFWTIQCFZCTO-UHFFFAOYSA-N 0 3 305.334 1.121 50 0 DDAAHN CC(C)Cn1ccnc1CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000074536489 406914799 /nfs/dbraw/zinc/91/47/99/406914799.db2.gz FAAQCGAEYGTMAW-AWEZNQCLSA-N 0 3 307.442 1.775 50 0 DDAAHN CCN1CCC[C@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000075125868 406922425 /nfs/dbraw/zinc/92/24/25/406922425.db2.gz RDOYIKOCNPJNPV-LBPRGKRZSA-N 0 3 315.373 1.849 50 0 DDAAHN CNC(=O)[C@@H](C)Cn1ccnc1-c1cccc(CN(C)C)c1 ZINC000082098525 407080855 /nfs/dbraw/zinc/08/08/55/407080855.db2.gz JEHCTRVKLNQDBG-ZDUSSCGKSA-N 0 3 300.406 1.994 50 0 DDAAHN CC(C)CN1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000049970590 407126349 /nfs/dbraw/zinc/12/63/49/407126349.db2.gz JKGRBDVWNSWSLR-UHFFFAOYSA-N 0 3 300.410 1.436 50 0 DDAAHN Nc1nccnc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000089393500 407132803 /nfs/dbraw/zinc/13/28/03/407132803.db2.gz JJSVZIOTVZNOJQ-UHFFFAOYSA-N 0 3 312.377 1.100 50 0 DDAAHN COCCN1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccco2)CC1 ZINC000089414208 407133635 /nfs/dbraw/zinc/13/36/35/407133635.db2.gz BQDYLPLEHRVFPH-GJZGRUSLSA-N 0 3 306.406 1.858 50 0 DDAAHN CCc1ncc(C(=O)N2CCC(N3CCSCC3)CC2)cn1 ZINC000095366277 407209555 /nfs/dbraw/zinc/20/95/55/407209555.db2.gz OMXZNCUKSPIWNN-UHFFFAOYSA-N 0 3 320.462 1.692 50 0 DDAAHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000095961898 407217723 /nfs/dbraw/zinc/21/77/23/407217723.db2.gz FFHTWVRAZBBUQP-CQSZACIVSA-N 0 3 324.446 1.726 50 0 DDAAHN Cc1cccc(C2(CN[C@H](C)C(=O)NC(N)=O)CCCC2)c1 ZINC000058342341 407220655 /nfs/dbraw/zinc/22/06/55/407220655.db2.gz YUUFWHOUKINJTN-CYBMUJFWSA-N 0 3 303.406 1.980 50 0 DDAAHN CC(C)C(=O)N1CCC(C(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 ZINC000096009708 407223538 /nfs/dbraw/zinc/22/35/38/407223538.db2.gz UJUSIFSNVDMQBB-ZFWWWQNUSA-N 0 3 309.454 1.480 50 0 DDAAHN O=C(Cc1cscn1)N1CCC(N2CCSCC2)CC1 ZINC000096161218 407242857 /nfs/dbraw/zinc/24/28/57/407242857.db2.gz BPHMOSDAMVBVPJ-UHFFFAOYSA-N 0 3 311.476 1.725 50 0 DDAAHN CC(=O)Nc1cccc(CN2CC[C@H](CN3CCOCC3)C2)c1 ZINC000096424590 407263951 /nfs/dbraw/zinc/26/39/51/407263951.db2.gz TXMJSOBTPZLLMX-QGZVFWFLSA-N 0 3 317.433 1.799 50 0 DDAAHN CC(C)(C)c1n[nH]cc1CNC[C@H]1COC2(CCOCC2)O1 ZINC000097037643 407276215 /nfs/dbraw/zinc/27/62/15/407276215.db2.gz LVVOOORTGFFHHY-ZDUSSCGKSA-N 0 3 309.410 1.719 50 0 DDAAHN Cc1nc(CN)cc(NCCc2nc(-c3cccnc3)no2)n1 ZINC000067675582 407279468 /nfs/dbraw/zinc/27/94/68/407279468.db2.gz PHYUWWJQUYJNPZ-UHFFFAOYSA-N 0 3 311.349 1.343 50 0 DDAAHN C[C@@H](Cn1cccn1)NCc1ccccc1CN1CCOCC1 ZINC000097095496 407279508 /nfs/dbraw/zinc/27/95/08/407279508.db2.gz VSLLBZRVGUPLKS-INIZCTEOSA-N 0 3 314.433 1.894 50 0 DDAAHN CN1CC[C@@]2(C1)CCCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000067712676 407281657 /nfs/dbraw/zinc/28/16/57/407281657.db2.gz GMWXMBAHMRFRDE-OAHLLOKOSA-N 0 3 312.410 1.932 50 0 DDAAHN CCc1nnsc1C(=O)NC[C@@H]1CCN(Cc2ccco2)C1 ZINC000067804145 407285495 /nfs/dbraw/zinc/28/54/95/407285495.db2.gz VWVZLWIWJXEKLG-NSHDSACASA-N 0 3 320.418 1.945 50 0 DDAAHN COCCN(C(=O)c1cnc(C(C)C)nc1)C1CCN(C)CC1 ZINC000097468539 407298256 /nfs/dbraw/zinc/29/82/56/407298256.db2.gz ANLCXBWUQOWTMJ-UHFFFAOYSA-N 0 3 320.437 1.783 50 0 DDAAHN O=S(=O)([N-]C[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1Cl ZINC000123887103 407341546 /nfs/dbraw/zinc/34/15/46/407341546.db2.gz NRADRBMDSCZKIO-SECBINFHSA-N 0 3 306.790 1.757 50 0 DDAAHN C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)C[C@H]1CCOC1 ZINC000108125114 407382275 /nfs/dbraw/zinc/38/22/75/407382275.db2.gz AEWJWNOJRZRIBF-LSDHHAIUSA-N 0 3 302.418 1.928 50 0 DDAAHN Cn1c2ccccc2cc(CN2CCC[C@](O)(CO)CC2)c1=O ZINC000215494529 407484704 /nfs/dbraw/zinc/48/47/04/407484704.db2.gz QXBIGJGLLDSXBI-GOSISDBHSA-N 0 3 316.401 1.248 50 0 DDAAHN COc1cccc(CN2CCC[C@@](C)(O)C2)c1OCCN(C)C ZINC000215692116 407487927 /nfs/dbraw/zinc/48/79/27/407487927.db2.gz WWMGKMQJSGFNHU-GOSISDBHSA-N 0 3 322.449 1.982 50 0 DDAAHN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CCCCN1 ZINC000178669766 407541120 /nfs/dbraw/zinc/54/11/20/407541120.db2.gz VNYPWIVNROVJQE-INIZCTEOSA-N 0 3 317.433 1.624 50 0 DDAAHN COc1cc(NC(=O)N2CCC[C@H]2CN2CCCC2)ncn1 ZINC000182133363 306702731 /nfs/dbraw/zinc/70/27/31/306702731.db2.gz FDNKTWBVNXOXLD-LBPRGKRZSA-N 0 3 305.382 1.577 50 0 DDAAHN CN1C[C@@]2(CCCN(CCC(=O)Nc3cccnc3)C2)OC1=O ZINC000243893724 407922263 /nfs/dbraw/zinc/92/22/63/407922263.db2.gz ATGRKHKVGNFEAE-MRXNPFEDSA-N 0 3 318.377 1.327 50 0 DDAAHN C[C@H](O)CN1CCN(CCC(=O)NC2CCCCC2)C[C@H]1C ZINC000247813233 408511195 /nfs/dbraw/zinc/51/11/95/408511195.db2.gz VNEGAGCMQMUXFN-CABCVRRESA-N 0 3 311.470 1.212 50 0 DDAAHN COC(=O)c1cn(C2CCN(Cc3cccs3)CC2)nn1 ZINC000184757402 408682346 /nfs/dbraw/zinc/68/23/46/408682346.db2.gz XZEWZXPLQVUIRI-UHFFFAOYSA-N 0 3 306.391 1.963 50 0 DDAAHN Cc1ccc(F)c(CN[C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)c1 ZINC000252677516 408808725 /nfs/dbraw/zinc/80/87/25/408808725.db2.gz YZJXJVDFJMVJAS-IUODEOHRSA-N 0 3 314.426 1.894 50 0 DDAAHN CN(C)c1noc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)n1 ZINC000249635964 408752590 /nfs/dbraw/zinc/75/25/90/408752590.db2.gz WNTDWZZXCYAUBK-GXTWGEPZSA-N 0 3 305.426 1.584 50 0 DDAAHN Cn1ncc2c1nccc2N1CCN(C[C@H]2CCOC2)CC1 ZINC000283418908 409152946 /nfs/dbraw/zinc/15/29/46/409152946.db2.gz AQUXEFBQONDOBC-CYBMUJFWSA-N 0 3 301.394 1.127 50 0 DDAAHN CCN1CCC[C@H](NC(=O)N2CCC3(C[C@H]3C(=O)OC)CC2)C1 ZINC000408159218 164246580 /nfs/dbraw/zinc/24/65/80/164246580.db2.gz OLSIUTNBCOLWQN-KBPBESRZSA-N 0 3 323.437 1.455 50 0 DDAAHN C[C@H](NC(=O)CN1CCCN(C)CC1)c1cn2ccsc2n1 ZINC000299778041 410620225 /nfs/dbraw/zinc/62/02/25/410620225.db2.gz GFQTUGFJSWDATJ-LBPRGKRZSA-N 0 3 321.450 1.211 50 0 DDAAHN Cc1nn[nH]c1C(=O)NCC1(c2ccccc2)CCN(C)CC1 ZINC000299797426 410636185 /nfs/dbraw/zinc/63/61/85/410636185.db2.gz OXJMDXWADMMIJG-UHFFFAOYSA-N 0 3 313.405 1.507 50 0 DDAAHN C[C@H](O)CCN1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408521446 418808310 /nfs/dbraw/zinc/80/83/10/418808310.db2.gz UOMKFMKUJJHKHW-GJZGRUSLSA-N 0 3 305.422 1.906 50 0 DDAAHN O=C(NC1CCN(CC2=CCCCC2)CC1)N1CCOCC1 ZINC000408525543 418808573 /nfs/dbraw/zinc/80/85/73/418808573.db2.gz VODYYZFSOHYPOC-UHFFFAOYSA-N 0 3 307.438 1.993 50 0 DDAAHN O=C(NCCN1CCC[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000426370429 419449302 /nfs/dbraw/zinc/44/93/02/419449302.db2.gz ZSTXKDGJOYRFPU-KRWDZBQOSA-N 0 3 317.433 1.908 50 0 DDAAHN CCOc1cccc(CNC(=O)[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000585120940 422307406 /nfs/dbraw/zinc/30/74/06/422307406.db2.gz YMAYAFRZHOHTGS-GOEBONIOSA-N 0 3 304.390 1.565 50 0 DDAAHN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CNCCOC ZINC000236957266 276488890 /nfs/dbraw/zinc/48/88/90/276488890.db2.gz GUQOKAQPPMJYQD-OAHLLOKOSA-N 0 3 305.422 1.480 50 0 DDAAHN CN(C)CCNC(=O)[C@@H]1CCc2sc(C(=O)N(C)C)cc2C1 ZINC000065273196 276790867 /nfs/dbraw/zinc/79/08/67/276790867.db2.gz ORFHNWBVSSCZPM-LLVKDONJSA-N 0 3 323.462 1.233 50 0 DDAAHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cnn(CC)c1 ZINC000072300148 281195297 /nfs/dbraw/zinc/19/52/97/281195297.db2.gz JETVWDGJDWAEPY-QWHCGFSZSA-N 0 3 312.439 1.150 50 0 DDAAHN COc1cccc(C(=O)N2CCOC[C@@H]2CN(C)C)c1OC ZINC000085469840 295285373 /nfs/dbraw/zinc/28/53/73/295285373.db2.gz QBPNIQNLXYJPMM-LBPRGKRZSA-N 0 3 308.378 1.106 50 0 DDAAHN O=C(N[C@@H]1CCCC[C@H]1O)N1CCN(c2ccncc2)CC1 ZINC000534575249 334287574 /nfs/dbraw/zinc/28/75/74/334287574.db2.gz XCQSTJBFWGUKLX-HUUCEWRRSA-N 0 3 304.394 1.217 50 0 DDAAHN Cc1nn(C)c(C)c1CN(C)C(=O)N[C@H](C)CN1CCCC1 ZINC000534587899 334293097 /nfs/dbraw/zinc/29/30/97/334293097.db2.gz UUNLBTJEONBTMG-GFCCVEGCSA-N 0 3 307.442 1.663 50 0 DDAAHN C[C@H](CNC(=O)N(CCO)Cc1ccc(F)cc1)N1CCCC1 ZINC000534631856 334307851 /nfs/dbraw/zinc/30/78/51/334307851.db2.gz VJIXPFHTWKWZIK-CQSZACIVSA-N 0 3 323.412 1.814 50 0 DDAAHN COC(=O)CCCNC(=O)CN1CCCC[C@@H](SC)C1 ZINC000083884747 483987308 /nfs/dbraw/zinc/98/73/08/483987308.db2.gz RRNJRFCDJOWRIV-GFCCVEGCSA-N 0 3 302.440 1.273 50 0 DDAAHN CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)CC1CCOCC1 ZINC000215744572 484139945 /nfs/dbraw/zinc/13/99/45/484139945.db2.gz RGTXUAWHUXESMC-INIZCTEOSA-N 0 3 320.437 1.926 50 0 DDAAHN Cc1nn(C)cc1CN(C)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000670474096 484851772 /nfs/dbraw/zinc/85/17/72/484851772.db2.gz MZJASXNVLJEPAR-MRXNPFEDSA-N 0 3 320.437 1.330 50 0 DDAAHN COCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([O-])cc2C)C1 ZINC000219289981 545651473 /nfs/dbraw/zinc/65/14/73/545651473.db2.gz ZHCUJGQFLXGBFU-CQSZACIVSA-N 0 3 306.406 1.789 50 0 DDAAHN COCC[N@H+]1CCC[C@H](CNC(=O)c2ccc([O-])cc2C)C1 ZINC000219289981 545651475 /nfs/dbraw/zinc/65/14/75/545651475.db2.gz ZHCUJGQFLXGBFU-CQSZACIVSA-N 0 3 306.406 1.789 50 0 DDAAHN C[C@@H](C1CCN(Cc2nc(C3CC3)no2)CC1)N1CCOCC1 ZINC000011774501 696047986 /nfs/dbraw/zinc/04/79/86/696047986.db2.gz OKIIETOODQKKJX-ZDUSSCGKSA-N 0 3 320.437 1.880 50 0 DDAAHN COCC1(CNC(=O)CC[C@H](C)N2CCN(C)CC2)CCC1 ZINC000824347376 759173004 /nfs/dbraw/zinc/17/30/04/759173004.db2.gz ZMVUSJPLIQRULZ-HNNXBMFYSA-N 0 3 311.470 1.335 50 0 DDAAHN O=C(NCCc1ccccc1)NCCN1CCCC[C@@H]1CO ZINC000828710911 759746642 /nfs/dbraw/zinc/74/66/42/759746642.db2.gz OYUAYORFPYEFQN-MRXNPFEDSA-N 0 3 305.422 1.375 50 0 DDAAHN O=C(CCc1ccc(F)cc1)NCCN1CCC[C@@H](CO)C1 ZINC000828711163 759748900 /nfs/dbraw/zinc/74/89/00/759748900.db2.gz LZKFPIJORDWMLU-OAHLLOKOSA-N 0 3 308.397 1.579 50 0 DDAAHN c1ccc(C23CN4CC(CN(C2)CC4)[C@H]3Nc2cnccn2)cc1 ZINC000829065396 759882863 /nfs/dbraw/zinc/88/28/63/759882863.db2.gz ZAKUHJIBFMQFIO-ZCDLSOSASA-N 0 3 321.428 1.456 50 0 DDAAHN NS(=O)(=O)c1ccc(CNC[C@@H]2CSCCS2)s1 ZINC000585118125 771950937 /nfs/dbraw/zinc/95/09/37/771950937.db2.gz CQGJIOPZADAEKW-SECBINFHSA-N 0 3 324.518 1.334 50 0 DDAAHN COC[C@]1(O)CCOC2(CCN(Cc3ccncc3)CC2)C1 ZINC000409420376 878182151 /nfs/dbraw/zinc/18/21/51/878182151.db2.gz KMZVJJUPZWSSAS-INIZCTEOSA-N 0 3 306.406 1.604 50 0 DDAAHN Cc1c(CN2CCN(Cc3ccccc3)C[C@H](O)C2)cnn1C ZINC000095499086 185374660 /nfs/dbraw/zinc/37/46/60/185374660.db2.gz GIIRMOFQZYRQIU-SFHVURJKSA-N 0 3 314.433 1.407 50 0 DDAAHN Cc1noc(C)c1CN1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078900398 185125400 /nfs/dbraw/zinc/12/54/00/185125400.db2.gz YNFXOMZGJBRIPS-LLVKDONJSA-N 0 3 303.366 1.493 50 0 DDAAHN C[C@H](CC1CCOCC1)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000090017485 185278398 /nfs/dbraw/zinc/27/83/98/185278398.db2.gz XXOXSJUMSGMBNH-IUODEOHRSA-N 0 3 306.410 1.320 50 0 DDAAHN C[C@@H]1CN(C2CCN(c3cncc(N(C)C)n3)CC2)C[C@H](C)O1 ZINC000095392797 185352001 /nfs/dbraw/zinc/35/20/01/185352001.db2.gz PWGGFHGAKOOEOL-OKILXGFUSA-N 0 3 319.453 1.621 50 0 DDAAHN CO[C@@H]1[C@H](C)[C@H](NCc2cnc(N3CCOCC3)nc2)C1(C)C ZINC000095463782 185371559 /nfs/dbraw/zinc/37/15/59/185371559.db2.gz AEOIXTNIYUHBGU-VHDGCEQUSA-N 0 3 320.437 1.462 50 0 DDAAHN Cn1ncc2c1nc(C(C)(C)C)nc2N1[C@@H]2CC[C@H]1CNC2 ZINC000072165702 191065816 /nfs/dbraw/zinc/06/58/16/191065816.db2.gz HQMVLTMAHOLEKC-PHIMTYICSA-N 0 3 300.410 1.601 50 0 DDAAHN CCOCc1cccc(S(=O)(=O)NCCN(CC)CC)c1 ZINC000072241250 191085388 /nfs/dbraw/zinc/08/53/88/191085388.db2.gz PPWCASDHEGXQDL-UHFFFAOYSA-N 0 3 314.451 1.843 50 0 DDAAHN Cc1cc(C)c2c(c1)CCN(C[C@H]1CCN(S(C)(=O)=O)C1)C2 ZINC000253392501 186303278 /nfs/dbraw/zinc/30/32/78/186303278.db2.gz MAWNYJFGXQXYHG-OAHLLOKOSA-N 0 3 322.474 1.943 50 0 DDAAHN COc1ccc(NC(=O)CCc2cc3n(n2)CCCNC3)cn1 ZINC000072410865 191154563 /nfs/dbraw/zinc/15/45/63/191154563.db2.gz RJFBNANRPDGOOC-UHFFFAOYSA-N 0 3 315.377 1.351 50 0 DDAAHN Cc1ncc2c(c1CNC(=O)Cc1ccc(O)cc1)CCNC2 ZINC000072412519 191155005 /nfs/dbraw/zinc/15/50/05/191155005.db2.gz INLSLWIRFWHKQW-UHFFFAOYSA-N 0 3 311.385 1.600 50 0 DDAAHN CO[C@]1(C)C[C@H](NC(=O)Nc2ccn(CCN(C)C)n2)C1(C)C ZINC000072559926 191193682 /nfs/dbraw/zinc/19/36/82/191193682.db2.gz JIABGUSRUWAIQX-BLLLJJGKSA-N 0 3 323.441 1.770 50 0 DDAAHN CC(C)Cn1ccnc1CNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000074535762 353319076 /nfs/dbraw/zinc/31/90/76/353319076.db2.gz GOJZXGNRGBEFPH-HNNXBMFYSA-N 0 3 319.453 1.919 50 0 DDAAHN CSCC(=O)Nc1ccc(CCN2CCC(O)CC2)cc1 ZINC000075415940 353362974 /nfs/dbraw/zinc/36/29/74/353362974.db2.gz WDTQHUPQAGUYQD-UHFFFAOYSA-N 0 3 308.447 1.987 50 0 DDAAHN O=C(NCc1ccco1)C1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000075109020 353347713 /nfs/dbraw/zinc/34/77/13/353347713.db2.gz RTVRTWRVBKMRMC-AWEZNQCLSA-N 0 3 320.389 1.561 50 0 DDAAHN CC(=O)N1CCN([C@H]2CN(CCc3ccccn3)C[C@H]2C)CC1 ZINC000084714533 353726831 /nfs/dbraw/zinc/72/68/31/353726831.db2.gz ZYHZPZVAQRCULT-QAPCUYQASA-N 0 3 316.449 1.109 50 0 DDAAHN COCc1noc([C@H](C)N2CCN(c3ccncc3)CC2)n1 ZINC000097371901 353918758 /nfs/dbraw/zinc/91/87/58/353918758.db2.gz CCGFWVZUOLJVCP-LBPRGKRZSA-N 0 3 303.366 1.494 50 0 DDAAHN CC1(C)[C@H](NCCS(=O)(=O)NCC2CCC2)[C@@H]2CCO[C@@H]21 ZINC000195550671 354297023 /nfs/dbraw/zinc/29/70/23/354297023.db2.gz CCMNLGNBYDHHHM-MJBXVCDLSA-N 0 3 316.467 1.109 50 0 DDAAHN O=C(NCCCNCc1cccnc1)[C@H]1CC12CCOCC2 ZINC000195542765 354297027 /nfs/dbraw/zinc/29/70/27/354297027.db2.gz RLVXBLDCXUZWLN-OAHLLOKOSA-N 0 3 303.406 1.494 50 0 DDAAHN COC(=O)Cc1ccccc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000225488551 354317696 /nfs/dbraw/zinc/31/76/96/354317696.db2.gz SGWUHMRUTHRZAR-CJNGLKHVSA-N 0 3 316.401 1.568 50 0 DDAAHN COC(CN[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)OC ZINC000397791789 354654987 /nfs/dbraw/zinc/65/49/87/354654987.db2.gz AGOIHGNDSMBMBP-QWRGUYRKSA-N 0 3 302.415 1.887 50 0 DDAAHN COc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)c(C)c1 ZINC000585139907 354813821 /nfs/dbraw/zinc/81/38/21/354813821.db2.gz UNNGOHBRRFVECP-GXTWGEPZSA-N 0 3 312.435 1.717 50 0 DDAAHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C=C2CCCCC2)CC1 ZINC000069452687 283320105 /nfs/dbraw/zinc/32/01/05/283320105.db2.gz CSLFEVNUSRAQPD-INIZCTEOSA-N 0 3 319.449 1.818 50 0 DDAAHN C[C@@H](NC(=O)C1(N2CCCC2)CCCCC1)c1nncn1C ZINC000219322114 296040007 /nfs/dbraw/zinc/04/00/07/296040007.db2.gz CRVPUVNSBZTXHE-CYBMUJFWSA-N 0 3 305.426 1.791 50 0 DDAAHN CC[C@H](O)CN[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271850876 209266118 /nfs/dbraw/zinc/26/61/18/209266118.db2.gz RKWGZSVGKCPRPE-AAEUAGOBSA-N 0 3 300.424 1.358 50 0 DDAAHN O=C(NCCN1CCCCC1)[C@@H]1CC(=O)Nc2ccc(F)cc21 ZINC000091694010 193092974 /nfs/dbraw/zinc/09/29/74/193092974.db2.gz MWEYDIUZMYDDCB-CQSZACIVSA-N 0 3 319.380 1.854 50 0 DDAAHN O=C1[C@H]2CC[C@H](CN(C3CCOCC3)C2)N1Cc1ccccn1 ZINC000091894480 193122717 /nfs/dbraw/zinc/12/27/17/193122717.db2.gz VROUIDOSIYYGGT-WMLDXEAASA-N 0 3 315.417 1.683 50 0 DDAAHN Cc1c(CN2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cnn1C ZINC000091915369 193125772 /nfs/dbraw/zinc/12/57/72/193125772.db2.gz HKQFUJYBYYGFGU-DOTOQJQBSA-N 0 3 316.449 1.951 50 0 DDAAHN Cc1ccc(C)c2c(=O)cc(CN[C@H](C)Cn3cncn3)[nH]c12 ZINC000092064913 193150260 /nfs/dbraw/zinc/15/02/60/193150260.db2.gz WCTBKHZLIOKEQF-CYBMUJFWSA-N 0 3 311.389 1.915 50 0 DDAAHN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1N(C)C ZINC000096476482 296129595 /nfs/dbraw/zinc/12/95/95/296129595.db2.gz UPEDWRVNIYWOFI-NEPJUHHUSA-N 0 3 314.426 1.977 50 0 DDAAHN Cc1cc(NC(=O)CCN2CCC(c3cn[nH]c3)CC2)no1 ZINC000097202786 193690431 /nfs/dbraw/zinc/69/04/31/193690431.db2.gz DPYOWEVWHLQRNT-UHFFFAOYSA-N 0 3 303.366 1.914 50 0 DDAAHN CCN1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019371719 182120193 /nfs/dbraw/zinc/12/01/93/182120193.db2.gz LLYNFLPQYFSAKG-INIZCTEOSA-N 0 3 312.841 1.855 50 0 DDAAHN COC(=O)c1ccc(CN2CCN(C(C)C)[C@@H](CCO)C2)cc1 ZINC000020362924 182211912 /nfs/dbraw/zinc/21/19/12/182211912.db2.gz RTPGUTIRKLDUEM-KRWDZBQOSA-N 0 3 320.433 1.750 50 0 DDAAHN CN1CCN(CCCCNC(=O)c2cc(F)ccc2F)CC1 ZINC000041361888 183186952 /nfs/dbraw/zinc/18/69/52/183186952.db2.gz QLABRUHZCPKURB-UHFFFAOYSA-N 0 3 311.376 1.722 50 0 DDAAHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc2ccccc2n1 ZINC000106166525 194189636 /nfs/dbraw/zinc/18/96/36/194189636.db2.gz IBAGSNMZCBOEIU-GJZGRUSLSA-N 0 3 311.385 1.828 50 0 DDAAHN Cc1nn(CCC(=O)NCCN2CCCC2)c2ccccc12 ZINC000057279972 184031353 /nfs/dbraw/zinc/03/13/53/184031353.db2.gz AVJMNLIWOCGUDU-UHFFFAOYSA-N 0 3 300.406 1.947 50 0 DDAAHN O=C(NCc1ccc(F)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000058441450 184119031 /nfs/dbraw/zinc/11/90/31/184119031.db2.gz OAVLVSJLTHYYKR-HUUCEWRRSA-N 0 3 307.369 1.488 50 0 DDAAHN CN1CCN(CCCNC(=O)c2cc3ccccc3o2)CC1 ZINC000061524265 184172655 /nfs/dbraw/zinc/17/26/55/184172655.db2.gz VSDYUNMEOUIMDC-UHFFFAOYSA-N 0 3 301.390 1.800 50 0 DDAAHN CN1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000065439633 184345463 /nfs/dbraw/zinc/34/54/63/184345463.db2.gz OZDOMNHJMDEGJC-HNNXBMFYSA-N 0 3 320.437 1.764 50 0 DDAAHN CCCN(CCN(C)C)C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000065475389 184352149 /nfs/dbraw/zinc/35/21/49/184352149.db2.gz CLITWCYKYXGCSV-UHFFFAOYSA-N 0 3 321.450 1.957 50 0 DDAAHN CCOC(=O)C(=C1CC(=O)N(c2ccccc2)C1=O)C(C)N ZINC000000067619 406617283 /nfs/dbraw/zinc/61/72/83/406617283.db2.gz SHHYUCOZQOFONL-GVIGZQTCSA-N 0 3 302.330 1.362 50 0 DDAAHN COc1ccc(CNC(=O)NC[C@@H](C)N(C)C2CC2)cc1OC ZINC000069223844 406692135 /nfs/dbraw/zinc/69/21/35/406692135.db2.gz HHPMRRMFMMXLNB-GFCCVEGCSA-N 0 3 321.421 1.986 50 0 DDAAHN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H](C2OCCO2)C1 ZINC000069310261 406695395 /nfs/dbraw/zinc/69/53/95/406695395.db2.gz REPYEDBKLIIPGB-KFWWJZLASA-N 0 3 310.438 1.861 50 0 DDAAHN CCN1CCC[C@H](NC(=O)[C@@H]2CCCN(c3ccccn3)C2)C1 ZINC000069348210 406697318 /nfs/dbraw/zinc/69/73/18/406697318.db2.gz LPAQTRNGWBGYNS-CVEARBPZSA-N 0 3 316.449 1.899 50 0 DDAAHN CC(C(=O)N(C)C)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 ZINC000069595465 406740176 /nfs/dbraw/zinc/74/01/76/406740176.db2.gz VVBCOOYFADWNNW-GFCCVEGCSA-N 0 3 321.402 1.264 50 0 DDAAHN CN(C)CCOc1cccc(CNC(=O)Nc2ccn(C)n2)c1 ZINC000069618338 406742981 /nfs/dbraw/zinc/74/29/81/406742981.db2.gz PLWQTUWFRWRIEP-UHFFFAOYSA-N 0 3 317.393 1.682 50 0 DDAAHN CCN(C(=O)[C@@H](C)NC[C@@H]1CN(C)CCO1)C1CCCCC1 ZINC000069652673 406751544 /nfs/dbraw/zinc/75/15/44/406751544.db2.gz QIPQFBBPQLGEON-GDBMZVCRSA-N 0 3 311.470 1.476 50 0 DDAAHN CN1CCCN(c2ccc(CNC(=O)c3ccoc3)cn2)CC1 ZINC000069414925 406706035 /nfs/dbraw/zinc/70/60/35/406706035.db2.gz RTOVNFLRYHRNPO-UHFFFAOYSA-N 0 3 314.389 1.747 50 0 DDAAHN CC(=O)NC1(NC(C)=O)CCN(C)[C@@H](c2ccccc2)[C@@H]1C ZINC000004011808 406719609 /nfs/dbraw/zinc/71/96/09/406719609.db2.gz MMURFEHJWKZFRH-BLLLJJGKSA-N 0 3 303.406 1.668 50 0 DDAAHN Cc1nc(C)n(C[C@H]2CCCN(CCN3CCCC3=O)C2)n1 ZINC000069846387 406782144 /nfs/dbraw/zinc/78/21/44/406782144.db2.gz XCSGORKNFJOPIH-HNNXBMFYSA-N 0 3 305.426 1.229 50 0 DDAAHN CCNC(=O)[C@@H](C)N[C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000008724590 406793635 /nfs/dbraw/zinc/79/36/35/406793635.db2.gz UAOZCCHYXWDSEA-VXGBXAGGSA-N 0 3 307.394 1.527 50 0 DDAAHN O=C(NCCN1CCCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000012209405 406839053 /nfs/dbraw/zinc/83/90/53/406839053.db2.gz PPONRLADCCTODT-INIZCTEOSA-N 0 3 315.417 1.642 50 0 DDAAHN O=C1CCCN1CCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000071824775 406847847 /nfs/dbraw/zinc/84/78/47/406847847.db2.gz SXYHNQKWVRLVHL-MRXNPFEDSA-N 0 3 315.417 1.562 50 0 DDAAHN Cn1cc(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)cn1 ZINC000012579376 406848136 /nfs/dbraw/zinc/84/81/36/406848136.db2.gz FRPZATRRUBZTSD-HNNXBMFYSA-N 0 3 320.437 1.271 50 0 DDAAHN Cc1nnc2ccc(N3CCN(CC4CCCC4)CC3)nn12 ZINC000071863797 406854816 /nfs/dbraw/zinc/85/48/16/406854816.db2.gz DXMLHUZOCRXEKY-UHFFFAOYSA-N 0 3 300.410 1.745 50 0 DDAAHN Cc1nc(CN2CCC[C@H](NCc3c(C)noc3C)C2)no1 ZINC000071870560 406856859 /nfs/dbraw/zinc/85/68/59/406856859.db2.gz MMJLJOBUXLOVTN-ZDUSSCGKSA-N 0 3 305.382 1.737 50 0 DDAAHN C[C@@H](O)CN1CCN(CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC000071879593 406859040 /nfs/dbraw/zinc/85/90/40/406859040.db2.gz VNEGAGCMQMUXFN-LSDHHAIUSA-N 0 3 311.470 1.212 50 0 DDAAHN Cc1cnn(C[C@@H]2CCCN2C[C@H](O)COCc2ccco2)c1 ZINC000071876991 406859097 /nfs/dbraw/zinc/85/90/97/406859097.db2.gz SZICDBJGQPEMOR-HOTGVXAUSA-N 0 3 319.405 1.827 50 0 DDAAHN Cc1cnn(C[C@@H]2CCCCN2C[C@H](O)Cn2cccn2)c1 ZINC000071878569 406859623 /nfs/dbraw/zinc/85/96/23/406859623.db2.gz NQJVMAPEGHRPMM-HOTGVXAUSA-N 0 3 303.410 1.304 50 0 DDAAHN COc1cccc([C@@H](CNc2ccc3nnnn3n2)N(C)C)c1 ZINC000014254752 406875144 /nfs/dbraw/zinc/87/51/44/406875144.db2.gz GSYPFIXIRYCFJA-CYBMUJFWSA-N 0 3 313.365 1.243 50 0 DDAAHN C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc(F)c1F ZINC000072300601 406880806 /nfs/dbraw/zinc/88/08/06/406880806.db2.gz BDPIKQRDMSKWOU-GWCFXTLKSA-N 0 3 318.389 1.724 50 0 DDAAHN Cc1cc2nc(C)cc(NCCN3CCCC[C@H]3CO)n2n1 ZINC000072407536 406881154 /nfs/dbraw/zinc/88/11/54/406881154.db2.gz YSNWWYLMGORIRJ-AWEZNQCLSA-N 0 3 303.410 1.605 50 0 DDAAHN O=C(CCN1CCCC[C@@H]1Cn1cncn1)N1CCCCC1 ZINC000075131962 406923528 /nfs/dbraw/zinc/92/35/28/406923528.db2.gz CHNNHAWRYWCKIL-OAHLLOKOSA-N 0 3 305.426 1.535 50 0 DDAAHN CS(=O)(=O)N1CCC(NCc2ccccc2Cl)CC1 ZINC000030656201 406933539 /nfs/dbraw/zinc/93/35/39/406933539.db2.gz YIZSNBCXPNKHGW-UHFFFAOYSA-N 0 3 302.827 1.854 50 0 DDAAHN C[C@@H](CNS(=O)(=O)N1CCCCC1)N1CCCC[C@H]1C ZINC000032441164 406947747 /nfs/dbraw/zinc/94/77/47/406947747.db2.gz FSSWDWBHRRFVKD-KGLIPLIRSA-N 0 3 303.472 1.570 50 0 DDAAHN O=C(CCN1CCC2(CC1)OCCO2)Nc1ccccc1F ZINC000032825300 406954250 /nfs/dbraw/zinc/95/42/50/406954250.db2.gz BXDHZYKKDNMCIV-UHFFFAOYSA-N 0 3 308.353 1.993 50 0 DDAAHN CCOC[C@H](O)CN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000078700035 407041857 /nfs/dbraw/zinc/04/18/57/407041857.db2.gz CWPIZKKYXWKVPJ-MRXNPFEDSA-N 0 3 312.454 1.545 50 0 DDAAHN CC1(C)C[C@H](CN2CCN(CCn3cncn3)CC2)CCO1 ZINC000077505966 406993821 /nfs/dbraw/zinc/99/38/21/406993821.db2.gz DSBMXJWXZKJDMD-OAHLLOKOSA-N 0 3 307.442 1.101 50 0 DDAAHN Cc1cc(CS(=O)(=O)C(C)C(=O)NC2CCCCC2)on1 ZINC000040528512 407003891 /nfs/dbraw/zinc/00/38/91/407003891.db2.gz CSEGWYZFZBHFBJ-LLVKDONJSA-N 0 3 314.407 1.735 50 0 DDAAHN O[C@@H](Cn1cccn1)CN1CCC(OCc2ccccc2)CC1 ZINC000048278433 407093443 /nfs/dbraw/zinc/09/34/43/407093443.db2.gz SZMHZFDVHYJQQQ-QGZVFWFLSA-N 0 3 315.417 1.925 50 0 DDAAHN CC(C)NC(=O)CN(C)C1CCN(C(=O)c2cccn2C)CC1 ZINC000089885230 407155728 /nfs/dbraw/zinc/15/57/28/407155728.db2.gz KHZUIAVZAATTRM-UHFFFAOYSA-N 0 3 320.437 1.086 50 0 DDAAHN CC(C)N1C[C@@H](C(=O)NCCN(C)Cc2ccccc2)CC1=O ZINC000053349639 407167830 /nfs/dbraw/zinc/16/78/30/407167830.db2.gz VSQNMDPHCOBLMC-INIZCTEOSA-N 0 3 317.433 1.492 50 0 DDAAHN CCc1nc(N)nc(N2CCN(C3CCSCC3)CC2)c1C ZINC000095362328 407209339 /nfs/dbraw/zinc/20/93/39/407209339.db2.gz HLGSZFRYUHMRHT-UHFFFAOYSA-N 0 3 321.494 1.947 50 0 DDAAHN COCCN1C[C@H]2CC[C@@H]1CN(Cc1cc(=O)c(OC)co1)C2 ZINC000095369687 407209960 /nfs/dbraw/zinc/20/99/60/407209960.db2.gz LUNVCEVXVQSDQI-UONOGXRCSA-N 0 3 322.405 1.191 50 0 DDAAHN COc1cccc2c1CC[C@@H]2N[C@H](C)CC(=O)N1CCOCC1 ZINC000095969341 407218425 /nfs/dbraw/zinc/21/84/25/407218425.db2.gz ZBFPXQRFUCLSJM-CJNGLKHVSA-N 0 3 318.417 1.910 50 0 DDAAHN COc1ccc(CN(C)C(=O)C(C)(C)N)cc1OC(F)F ZINC000095971041 407218673 /nfs/dbraw/zinc/21/86/73/407218673.db2.gz RIYDQIJPFDBZIS-UHFFFAOYSA-N 0 3 302.321 1.992 50 0 DDAAHN CC(C)(CC(N)=O)NCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000096014184 407224779 /nfs/dbraw/zinc/22/47/79/407224779.db2.gz GRPAQUHMDTVXKW-INIZCTEOSA-N 0 3 303.406 1.498 50 0 DDAAHN COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H](C)N)C3)c1 ZINC000096141639 407240750 /nfs/dbraw/zinc/24/07/50/407240750.db2.gz IYYLKNZVQZBVLQ-SNVBAGLBSA-N 0 3 300.362 1.317 50 0 DDAAHN COc1cccc(-c2nc3c([nH]2)CN(C(=O)[C@@H](C)N)CC3)c1 ZINC000096141639 407240753 /nfs/dbraw/zinc/24/07/53/407240753.db2.gz IYYLKNZVQZBVLQ-SNVBAGLBSA-N 0 3 300.362 1.317 50 0 DDAAHN NC(=O)NC(=O)CCCN1CCCN(Cc2cccs2)CC1 ZINC000065950419 407246545 /nfs/dbraw/zinc/24/65/45/407246545.db2.gz BXJNWTNPGDXBKA-UHFFFAOYSA-N 0 3 324.450 1.231 50 0 DDAAHN CC(C)COc1cncc(N2CCN(C3CCOCC3)CC2)n1 ZINC000096461372 407270136 /nfs/dbraw/zinc/27/01/36/407270136.db2.gz PNBWSAWYWXFAQV-UHFFFAOYSA-N 0 3 320.437 1.812 50 0 DDAAHN Cc1nn(CCO)c(C)c1CNC[C@@H]1COc2ccccc2O1 ZINC000097159756 407284136 /nfs/dbraw/zinc/28/41/36/407284136.db2.gz HTOUTLFXBGENQF-CQSZACIVSA-N 0 3 317.389 1.422 50 0 DDAAHN CC(C)Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)n(C)n1 ZINC000097475023 407298237 /nfs/dbraw/zinc/29/82/37/407298237.db2.gz XDRBIYZJGYVKGD-DZGCQCFKSA-N 0 3 304.438 1.785 50 0 DDAAHN CN(C)[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)C[C@@H]1O ZINC000097797436 407302861 /nfs/dbraw/zinc/30/28/61/407302861.db2.gz SFFQGUYNTYQRMT-HOTGVXAUSA-N 0 3 320.824 1.632 50 0 DDAAHN COCCn1cc(NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cn1 ZINC000107155110 407370084 /nfs/dbraw/zinc/37/00/84/407370084.db2.gz YSJHDJOMSBFLTH-SMDDNHRTSA-N 0 3 307.398 1.134 50 0 DDAAHN Cn1nc(CN2CCOCC2)c2c1CCN(C1CCCC1)C2 ZINC000257196107 407489541 /nfs/dbraw/zinc/48/95/41/407489541.db2.gz XPLKVSYIWPUGMA-UHFFFAOYSA-N 0 3 304.438 1.553 50 0 DDAAHN CCOc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000229356951 407662719 /nfs/dbraw/zinc/66/27/19/407662719.db2.gz NBMMLFKQUHCZPM-CVEARBPZSA-N 0 3 324.446 1.990 50 0 DDAAHN Cn1cncc1CCC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000242284649 407916234 /nfs/dbraw/zinc/91/62/34/407916234.db2.gz YINLLIUNQHMXNG-SJORKVTESA-N 0 3 312.417 1.567 50 0 DDAAHN O=C(CCN1CCSCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000244601718 407928518 /nfs/dbraw/zinc/92/85/18/407928518.db2.gz DQUPSBZAIRNMTC-UHFFFAOYSA-N 0 3 306.391 1.234 50 0 DDAAHN Cc1noc(C)c1CNC(=O)CC[C@H](C)N1CCN(C)CC1 ZINC000244795018 407938838 /nfs/dbraw/zinc/93/88/38/407938838.db2.gz 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184357433 /nfs/dbraw/zinc/35/74/33/184357433.db2.gz DEFHFOWBJKPKQL-HNNXBMFYSA-N 0 3 306.385 1.757 50 0 DDAAHN CCN1CCCC[C@H]1C(=O)N1CCN(Cc2cc(C)no2)CC1 ZINC000065517337 184358535 /nfs/dbraw/zinc/35/85/35/184358535.db2.gz QMHINHICKOOBGR-INIZCTEOSA-N 0 3 320.437 1.502 50 0 DDAAHN COCCN1C[C@]2(CCCN(c3ccncc3)C2)CCC1=O ZINC000085533901 285063576 /nfs/dbraw/zinc/06/35/76/285063576.db2.gz AMDNNYFJQQETLM-QGZVFWFLSA-N 0 3 303.406 1.937 50 0 DDAAHN C[C@@H]1CCCN(CCN[C@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000241926498 296390987 /nfs/dbraw/zinc/39/09/87/296390987.db2.gz UGPUUGDXDUADPW-ILXRZTDVSA-N 0 3 302.484 1.664 50 0 DDAAHN COc1ccc2c(c1)C[C@H](C)N(CCCS(N)(=O)=O)[C@H]2C ZINC000359568367 257236264 /nfs/dbraw/zinc/23/62/64/257236264.db2.gz XTKOJKLRCCAKST-RYUDHWBXSA-N 0 3 312.435 1.681 50 0 DDAAHN Cc1nc(CN2CCN(C(=O)C3(N)CCCC3)CC2)oc1C ZINC000237726960 257238978 /nfs/dbraw/zinc/23/89/78/257238978.db2.gz VLIPRHTZNNAACZ-UHFFFAOYSA-N 0 3 306.410 1.207 50 0 DDAAHN Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)c(=O)[nH]1 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Cc1cc(C)n2nc(C(=O)NCCN3CCC(C)CC3)nc2n1 ZINC000044952486 407035351 /nfs/dbraw/zinc/03/53/51/407035351.db2.gz KVILNKLRIRKKBR-UHFFFAOYSA-N 0 3 316.409 1.203 50 0 DDAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000044940183 407035537 /nfs/dbraw/zinc/03/55/37/407035537.db2.gz PRVNMYNXGMQLLF-LBPRGKRZSA-N 0 3 317.389 1.622 50 0 DDAAHN C[C@H](C1CCN(C(=O)c2cscn2)CC1)N1CCN(C)CC1 ZINC000077287905 406983723 /nfs/dbraw/zinc/98/37/23/406983723.db2.gz MTGNAFYMKFOHJQ-CYBMUJFWSA-N 0 3 322.478 1.631 50 0 DDAAHN CC[C@H](C)[C@H](N)C(=O)N1CCC(Cn2cc(C3CC3)nn2)CC1 ZINC000048080877 407089001 /nfs/dbraw/zinc/08/90/01/407089001.db2.gz YAEIYGWFEUPJLE-LRDDRELGSA-N 0 3 319.453 1.768 50 0 DDAAHN CCn1cc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000085455988 407100953 /nfs/dbraw/zinc/10/09/53/407100953.db2.gz FVTCYPCIXKOJRY-KBPBESRZSA-N 0 3 308.426 1.522 50 0 DDAAHN O[C@@H](c1ccccc1)C1CCN(C[C@H](O)Cn2cccn2)CC1 ZINC000051531926 407141786 /nfs/dbraw/zinc/14/17/86/407141786.db2.gz CGCPYOPJRUHITB-ROUUACIJSA-N 0 3 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407685178 /nfs/dbraw/zinc/68/51/78/407685178.db2.gz SZCCTRMAXYXHLG-RBSFLKMASA-N 0 3 324.446 1.549 50 0 DDAAHN O[C@H](CN1CCC[C@@H](Cn2cncn2)C1)c1cccc(F)c1 ZINC000229478155 407664070 /nfs/dbraw/zinc/66/40/70/407664070.db2.gz ROENPVNABQQVSY-CZUORRHYSA-N 0 3 304.369 1.863 50 0 DDAAHN COC(=O)c1ccc(NC(=O)NCC2=CCN(C)CC2)cc1 ZINC000272040157 407751213 /nfs/dbraw/zinc/75/12/13/407751213.db2.gz XTGBMLYPTSBNHP-UHFFFAOYSA-N 0 3 303.362 1.857 50 0 DDAAHN CN(Cc1cc(=O)n2ccccc2n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000245338724 407953497 /nfs/dbraw/zinc/95/34/97/407953497.db2.gz OALGXHDSXGXWEY-KBRIMQKVSA-N 0 3 313.401 1.940 50 0 DDAAHN C[C@H](c1cnccn1)N(C)C1CCN(CCn2cccn2)CC1 ZINC000184523237 408633896 /nfs/dbraw/zinc/63/38/96/408633896.db2.gz MWRYGCLYXGKSOA-OAHLLOKOSA-N 0 3 314.437 1.831 50 0 DDAAHN CN(C)Cc1cccc(NC(=O)NCc2nc(N(C)C)no2)c1 ZINC000252481880 408796639 /nfs/dbraw/zinc/79/66/39/408796639.db2.gz CUMZYKJFTRWGNN-UHFFFAOYSA-N 0 3 318.381 1.519 50 0 DDAAHN CC(C)OC(=O)CC[C@@H](C)NC(=O)N1CCN2CCC1CC2 ZINC000252506069 408801897 /nfs/dbraw/zinc/80/18/97/408801897.db2.gz VXQTZYXUMFWKBE-CYBMUJFWSA-N 0 3 311.426 1.596 50 0 DDAAHN C[C@@H](N)C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000165542856 408810835 /nfs/dbraw/zinc/81/08/35/408810835.db2.gz LOWHWHMNCKCCQT-MGPQQGTHSA-N 0 3 305.422 1.259 50 0 DDAAHN C[C@H]1C[C@H](CN2CCN(c3ccc4nncn4n3)CC2)CCO1 ZINC000408144702 164241308 /nfs/dbraw/zinc/24/13/08/164241308.db2.gz NACJGPMTJHTQKE-UONOGXRCSA-N 0 3 316.409 1.061 50 0 DDAAHN CS(=O)(=O)Nc1cccc2c1CCN(C[C@@H]1CCCOC1)C2 ZINC000332531090 410182858 /nfs/dbraw/zinc/18/28/58/410182858.db2.gz VMPYDXUCPYDBFM-ZDUSSCGKSA-N 0 3 324.446 1.843 50 0 DDAAHN CN1CCN(CCC(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000299755885 410608734 /nfs/dbraw/zinc/60/87/34/410608734.db2.gz DVIZDUBGABEKLM-KRWDZBQOSA-N 0 3 317.433 1.304 50 0 DDAAHN CN1CCCN(CC(=O)N2CCc3c(Cl)cccc3C2)CC1 ZINC000299763283 410611625 /nfs/dbraw/zinc/61/16/25/410611625.db2.gz ZOJCQOAWXWGJDT-UHFFFAOYSA-N 0 3 321.852 1.862 50 0 DDAAHN CN1CCOC[C@H](CNC(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000299787428 410627428 /nfs/dbraw/zinc/62/74/28/410627428.db2.gz NOJZLTKQISNNHS-LLVKDONJSA-N 0 3 303.366 1.263 50 0 DDAAHN CN1CCC[C@](O)(CN2CCN(c3ccccc3F)CC2)C1 ZINC000046087399 418445657 /nfs/dbraw/zinc/44/56/57/418445657.db2.gz VHECUSNXWCEEGB-QGZVFWFLSA-N 0 3 307.413 1.404 50 0 DDAAHN COC(=O)c1ccc(OC[C@@H](O)CN2CCCC[C@H]2CO)cc1 ZINC000103271601 418496523 /nfs/dbraw/zinc/49/65/23/418496523.db2.gz BCEQAJOMZHTGNU-GJZGRUSLSA-N 0 3 323.389 1.060 50 0 DDAAHN CC(C)(CN1CCC[C@H](c2ccncn2)C1)N1CCOCC1 ZINC000216204952 418560098 /nfs/dbraw/zinc/56/00/98/418560098.db2.gz FXKNLVPMVJROET-HNNXBMFYSA-N 0 3 304.438 1.767 50 0 DDAAHN CCn1ccnc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000365867966 418918407 /nfs/dbraw/zinc/91/84/07/418918407.db2.gz XIGXFXPWZRRIHB-GJZGRUSLSA-N 0 3 313.405 1.721 50 0 DDAAHN COc1cc(CCNC(=O)N(C)[C@@H]2CCN(C)C2)cc(OC)c1 ZINC000426530925 419498488 /nfs/dbraw/zinc/49/84/88/419498488.db2.gz QWBKZHAUBIYGIL-CQSZACIVSA-N 0 3 321.421 1.592 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302.382 1.470 50 0 DDAAHN Cc1n[nH]c(C)c1CNC(=O)CC[C@H](C)N1CCN(C)CC1 ZINC000219487183 484148595 /nfs/dbraw/zinc/14/85/95/484148595.db2.gz ZOIQVJNVENKYGB-LBPRGKRZSA-N 0 3 307.442 1.059 50 0 DDAAHN CSCCC(=O)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000670441821 484831873 /nfs/dbraw/zinc/83/18/73/484831873.db2.gz ICFKOYZZVCDUDR-CQSZACIVSA-N 0 3 300.468 1.843 50 0 DDAAHN CN1CCCCC[C@@H]1C(=O)N1CCCN(C(=O)C2CCC2)CC1 ZINC000670449513 484837242 /nfs/dbraw/zinc/83/72/42/484837242.db2.gz FHTUFMMIIAYSSC-MRXNPFEDSA-N 0 3 321.465 1.722 50 0 DDAAHN CCN1CC[C@H]2OCCN(C(=O)c3cnn4ccccc34)[C@H]2C1 ZINC000329400657 527898719 /nfs/dbraw/zinc/89/87/19/527898719.db2.gz XVMKEVDLJCYXOP-JKSUJKDBSA-N 0 3 314.389 1.270 50 0 DDAAHN COCCN1CCC(NC(=O)c2sc(C)cc2OC)CC1 ZINC000113874681 696659538 /nfs/dbraw/zinc/65/95/38/696659538.db2.gz ZUUOABFOHZINQP-UHFFFAOYSA-N 0 3 312.435 1.906 50 0 DDAAHN Cn1c(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cnc1Cl ZINC000585091241 739372433 /nfs/dbraw/zinc/37/24/33/739372433.db2.gz UFMDFEMHQQIXCK-ONGXEEELSA-N 0 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192822752 /nfs/dbraw/zinc/82/27/52/192822752.db2.gz MCBYPWBJVFOBBO-OAHLLOKOSA-N 0 3 322.453 1.536 50 0 DDAAHN CCn1ccc(C(=O)N2C[C@H](N)[C@@H](c3ccccc3)C2)cc1=O ZINC000091934319 193129144 /nfs/dbraw/zinc/12/91/44/193129144.db2.gz SOFUDGATOXTERR-CVEARBPZSA-N 0 3 311.385 1.435 50 0 DDAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3CCC(N)=O)C2)cc1 ZINC000092080714 193154743 /nfs/dbraw/zinc/15/47/43/193154743.db2.gz UGDOXMKAPRXCOQ-JKSUJKDBSA-N 0 3 317.433 1.467 50 0 DDAAHN COc1ccc2c(c1)OC[C@@H](C(=O)NC[C@@H]1CCCN1C)C2 ZINC000106517225 194223142 /nfs/dbraw/zinc/22/31/42/194223142.db2.gz HZGJZWJMXYBQHZ-KBPBESRZSA-N 0 3 304.390 1.457 50 0 DDAAHN CN(C)C(=O)C1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000057943018 184063546 /nfs/dbraw/zinc/06/35/46/184063546.db2.gz KMZJMACUCBMMAZ-OAHLLOKOSA-N 0 3 324.396 1.366 50 0 DDAAHN COc1ccc(CC(=O)N2CCCN(C3CC3)CC2)cc1OC ZINC000058277904 184098445 /nfs/dbraw/zinc/09/84/45/184098445.db2.gz GFJMCDSSLHLFPC-UHFFFAOYSA-N 0 3 318.417 1.943 50 0 DDAAHN 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Cc1cnn(C[C@@H](C)NCc2cccc(OCC(N)=O)c2)c1 ZINC000069632775 406748160 /nfs/dbraw/zinc/74/81/60/406748160.db2.gz CJLDKMKUAYRWNA-CYBMUJFWSA-N 0 3 302.378 1.234 50 0 DDAAHN CN1CCO[C@@H](CNCc2cc(Br)cs2)C1 ZINC000069698947 406757851 /nfs/dbraw/zinc/75/78/51/406757851.db2.gz FOIKVOXKBLBYGG-JTQLQIEISA-N 0 3 305.241 1.931 50 0 DDAAHN CN(C)C(=O)C1CCN(CCn2c3ccccc3oc2=O)CC1 ZINC000069770851 406769006 /nfs/dbraw/zinc/76/90/06/406769006.db2.gz TUOKNUMIOSDGOS-UHFFFAOYSA-N 0 3 317.389 1.395 50 0 DDAAHN CC(=O)N[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C)C1CCCC1 ZINC000069528840 406729145 /nfs/dbraw/zinc/72/91/45/406729145.db2.gz XKUSOTMWNKLYTR-BBWFWOEESA-N 0 3 321.465 1.767 50 0 DDAAHN CCOc1cc(CNCCSc2nnnn2C)ccc1OC ZINC000008254351 406783272 /nfs/dbraw/zinc/78/32/72/406783272.db2.gz KCQLZWQBIOLNRD-UHFFFAOYSA-N 0 3 323.422 1.499 50 0 DDAAHN Cc1ccc([C@H](C)NC(=O)CNC[C@@H]2CN(C)CCO2)cc1C ZINC000069870104 406784813 /nfs/dbraw/zinc/78/48/13/406784813.db2.gz WPFIJCXGBFZPHF-DOTOQJQBSA-N 0 3 319.449 1.401 50 0 DDAAHN CC[C@H]1CN(CC2CCN(C(C)=O)CC2)CCN1CCOC ZINC000069928441 406794118 /nfs/dbraw/zinc/79/41/18/406794118.db2.gz JTUFEKFVJMGWDF-KRWDZBQOSA-N 0 3 311.470 1.288 50 0 DDAAHN C[C@@H](C(=O)NCCC1=CCCCC1)N1CCO[C@H](CN(C)C)C1 ZINC000069951594 406797261 /nfs/dbraw/zinc/79/72/61/406797261.db2.gz ZJSWPIUTXPZTIH-DOTOQJQBSA-N 0 3 323.481 1.644 50 0 DDAAHN CC1CCN(C[C@H](O)Cn2cnc3ccsc3c2=O)CC1 ZINC000071825062 406847935 /nfs/dbraw/zinc/84/79/35/406847935.db2.gz WSKZXTBQYAGVEJ-LBPRGKRZSA-N 0 3 307.419 1.551 50 0 DDAAHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COCc2ccco2)C1 ZINC000013146015 406859596 /nfs/dbraw/zinc/85/95/96/406859596.db2.gz ZJNIFIHUHWUOJP-ZIAGYGMSSA-N 0 3 311.378 1.432 50 0 DDAAHN CC(C)N1CCN(C2CSCCSC2)C[C@@H]1CCO ZINC000020537749 406887562 /nfs/dbraw/zinc/88/75/62/406887562.db2.gz GUDLXTFNNCOYNM-ZDUSSCGKSA-N 0 3 304.525 1.612 50 0 DDAAHN CC(C)[NH+]1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000075551838 406934576 /nfs/dbraw/zinc/93/45/76/406934576.db2.gz HJUOYFCUAIOPOQ-UHFFFAOYSA-N 0 3 312.417 1.963 50 0 DDAAHN Cc1cccc(N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)c1 ZINC000032926776 406956851 /nfs/dbraw/zinc/95/68/51/406956851.db2.gz JXIGGMDPNVGPQU-ZDUSSCGKSA-N 0 3 310.419 1.077 50 0 DDAAHN CC(C)OCCN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000044871791 407030893 /nfs/dbraw/zinc/03/08/93/407030893.db2.gz JZPVUMPXNONOOA-GFCCVEGCSA-N 0 3 300.424 1.752 50 0 DDAAHN C[C@@H](CN1CCCCC1)NC(=O)c1cccc(-n2cncn2)c1 ZINC000078734131 407043701 /nfs/dbraw/zinc/04/37/01/407043701.db2.gz CNVIFQIZYOHYES-AWEZNQCLSA-N 0 3 313.405 1.872 50 0 DDAAHN Cc1nc(NCCNC(=O)CC(C)C)cc(N2CCOCC2)n1 ZINC000036708058 406983135 /nfs/dbraw/zinc/98/31/35/406983135.db2.gz IQOPDBQCVYURBZ-UHFFFAOYSA-N 0 3 321.425 1.196 50 0 DDAAHN C[C@H](C1CCN(c2ncnc3c2CCC3)CC1)N1CCOCC1 ZINC000077439831 406991235 /nfs/dbraw/zinc/99/12/35/406991235.db2.gz NGSNAIUJORNJHI-CQSZACIVSA-N 0 3 316.449 1.902 50 0 DDAAHN O=S1(=O)CC[C@H](CNCc2cccc3c2OCCCO3)C1 ZINC000037996817 406997076 /nfs/dbraw/zinc/99/70/76/406997076.db2.gz NGUNSZGFMIDPGJ-GFCCVEGCSA-N 0 3 311.403 1.372 50 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DDAAHN CCN1CCCN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC1 ZINC000069663235 406755077 /nfs/dbraw/zinc/75/50/77/406755077.db2.gz JGGJNNIPNLYQDX-XJKSGUPXSA-N 0 3 304.390 1.769 50 0 DDAAHN O=C(CN[C@H]1CCc2ncnn2C1)N1CCCc2ccccc21 ZINC000069700103 406758489 /nfs/dbraw/zinc/75/84/89/406758489.db2.gz TWZRACXMPHVBCW-AWEZNQCLSA-N 0 3 311.389 1.162 50 0 DDAAHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1 ZINC000007709726 406767170 /nfs/dbraw/zinc/76/71/70/406767170.db2.gz MWHKUSMHLXGTPL-UHFFFAOYSA-N 0 3 312.435 1.850 50 0 DDAAHN COc1ccccc1N1CCN(C(=S)NCCN(C)C)CC1 ZINC000003305336 406716430 /nfs/dbraw/zinc/71/64/30/406716430.db2.gz IZIXPLHYBWICKA-UHFFFAOYSA-N 0 3 322.478 1.253 50 0 DDAAHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccccc1F ZINC000069457191 406717687 /nfs/dbraw/zinc/71/76/87/406717687.db2.gz FJCBFWGAGWDVJW-OAHLLOKOSA-N 0 3 321.396 1.498 50 0 DDAAHN CNC(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cn1 ZINC000069510160 406724905 /nfs/dbraw/zinc/72/49/05/406724905.db2.gz RTVONSVNIAMAAX-LSDHHAIUSA-N 0 3 316.405 1.140 50 0 DDAAHN CCOCCN1CCN(CCC(=O)N2CCCCC2)C[C@@H]1C ZINC000069810372 406774480 /nfs/dbraw/zinc/77/44/80/406774480.db2.gz BBCDERHMDJXWHH-INIZCTEOSA-N 0 3 311.470 1.432 50 0 DDAAHN O[C@@H](CN1CCC[C@H](Cn2cncn2)C1)c1ccc(F)cc1 ZINC000069873021 406784738 /nfs/dbraw/zinc/78/47/38/406784738.db2.gz OORUYQJPTSYXEV-BBRMVZONSA-N 0 3 304.369 1.863 50 0 DDAAHN COc1cc(CNC[C@@H](C)O)cc(Br)c1OC ZINC000008535044 406790295 /nfs/dbraw/zinc/79/02/95/406790295.db2.gz ZPIWHVFPMMVYTH-MRVPVSSYSA-N 0 3 304.184 1.937 50 0 DDAAHN COCCN1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1=O ZINC000011817487 406830762 /nfs/dbraw/zinc/83/07/62/406830762.db2.gz YUSQFULOKNRNQO-KRWDZBQOSA-N 0 3 303.406 1.543 50 0 DDAAHN O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNC1CC1 ZINC000012303993 406840321 /nfs/dbraw/zinc/84/03/21/406840321.db2.gz SJRHUBGOTUIKLM-MRXNPFEDSA-N 0 3 310.344 1.570 50 0 DDAAHN Cc1cnn([C@H](C)[C@@H](C)NCCS(=O)(=O)C(F)(F)F)c1 ZINC000071882215 406861013 /nfs/dbraw/zinc/86/10/13/406861013.db2.gz MOZLDSZDICJQNS-NXEZZACHSA-N 0 3 313.345 1.665 50 0 DDAAHN O=C([C@H]1COCCO1)N(CCN1CCCC1)Cc1ccccc1 ZINC000072277519 406877929 /nfs/dbraw/zinc/87/79/29/406877929.db2.gz KIZSAIOBHOJFLP-QGZVFWFLSA-N 0 3 318.417 1.526 50 0 DDAAHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000072285271 406878463 /nfs/dbraw/zinc/87/84/63/406878463.db2.gz HRYOLZJANLHZDI-NWDGAFQWSA-N 0 3 320.418 1.420 50 0 DDAAHN Cc1ccc([C@@H](CN[C@H]2CCN(C)C2=O)N2CCOCC2)s1 ZINC000072286547 406878475 /nfs/dbraw/zinc/87/84/75/406878475.db2.gz TWXQPJNJNBANHX-UONOGXRCSA-N 0 3 323.462 1.250 50 0 DDAAHN Cc1nn(C)c2nc(C)nc(N3CC(C)(C)N(C)C[C@@H]3C)c12 ZINC000072410156 406881813 /nfs/dbraw/zinc/88/18/13/406881813.db2.gz YHIKBAYDUXGNTM-JTQLQIEISA-N 0 3 302.426 1.899 50 0 DDAAHN Cc1csc(=O)n1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000016599536 406883715 /nfs/dbraw/zinc/88/37/15/406883715.db2.gz VTIWGFQPVZIURV-AWEZNQCLSA-N 0 3 319.430 1.637 50 0 DDAAHN O=C(CC1(N2CCOCC2)CCCC1)NC1CCC(O)CC1 ZINC000072794204 406885284 /nfs/dbraw/zinc/88/52/84/406885284.db2.gz WOUWBTJHJWHTIJ-UHFFFAOYSA-N 0 3 310.438 1.441 50 0 DDAAHN N[C@@H](C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000071776347 406842325 /nfs/dbraw/zinc/84/23/25/406842325.db2.gz VIOIVSHKYAEDOD-GOSISDBHSA-N 0 3 324.428 1.862 50 0 DDAAHN Cc1nc2n(n1)C[C@@H](NC[C@H](O)c1ccccc1Cl)CC2 ZINC000075132689 406924032 /nfs/dbraw/zinc/92/40/32/406924032.db2.gz PHGPQYDDBHUXLR-FZMZJTMJSA-N 0 3 306.797 1.878 50 0 DDAAHN COc1cc(CNC[C@H](C)O)ccc1OCc1nc(C)no1 ZINC000032617154 406950776 /nfs/dbraw/zinc/95/07/76/406950776.db2.gz ACOXOTMAAQZVBI-JTQLQIEISA-N 0 3 307.350 1.436 50 0 DDAAHN C[C@H]1CCCN(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)C1 ZINC000044534072 407026199 /nfs/dbraw/zinc/02/61/99/407026199.db2.gz RBQBFHCSJOQVAB-AWEZNQCLSA-N 0 3 324.469 1.228 50 0 DDAAHN O=C(c1ccc(CN2CCCC2)cc1)N1CCOC[C@@H](CO)C1 ZINC000077440551 406991103 /nfs/dbraw/zinc/99/11/03/406991103.db2.gz NTJWTYYMOHEVMO-MRXNPFEDSA-N 0 3 318.417 1.363 50 0 DDAAHN COc1ccc2[nH]nc(CN3CCC(CNC(C)=O)CC3)c2c1 ZINC000077503473 406993937 /nfs/dbraw/zinc/99/39/37/406993937.db2.gz WETQJFKBGKZFAI-UHFFFAOYSA-N 0 3 316.405 1.920 50 0 DDAAHN Cc1cc(N2CCN(C)[C@H](CCO)C2)nc(N2CCCCC2)n1 ZINC000039551842 407002219 /nfs/dbraw/zinc/00/22/19/407002219.db2.gz PEMYSMYEIJNGKN-OAHLLOKOSA-N 0 3 319.453 1.278 50 0 DDAAHN NC(=O)[C@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000040480030 407003428 /nfs/dbraw/zinc/00/34/28/407003428.db2.gz ZRJOSFORYBDVKI-INIZCTEOSA-N 0 3 315.417 1.620 50 0 DDAAHN CN1CCO[C@@H]2CN(CCC(=O)Nc3cccc(F)c3)C[C@@H]21 ZINC000089385667 407132613 /nfs/dbraw/zinc/13/26/13/407132613.db2.gz LKIUWXFHIVIGMC-LSDHHAIUSA-N 0 3 307.369 1.169 50 0 DDAAHN CC1(C)[C@H](NC(=O)N[C@@H]2CCN(CC3CC3)C2)[C@H]2CCO[C@@H]21 ZINC000089917435 407158747 /nfs/dbraw/zinc/15/87/47/407158747.db2.gz KUMLBHWFNYVVIN-TUVASFSCSA-N 0 3 307.438 1.583 50 0 DDAAHN O=S(=O)([N-]C[C@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000053254469 407166100 /nfs/dbraw/zinc/16/61/00/407166100.db2.gz JZPTZEZFPGUMBB-SECBINFHSA-N 0 3 308.325 1.736 50 0 DDAAHN CC(C)[C@H]1CN(C2Cc3ccccc3C2)C[C@@H]1NS(C)(=O)=O ZINC000091997634 407185791 /nfs/dbraw/zinc/18/57/91/407185791.db2.gz RNKWRTFPCJQLSQ-SJORKVTESA-N 0 3 322.474 1.659 50 0 DDAAHN COCCN1CC[C@H](NC(=O)NCCc2ccc(C)cc2)C1 ZINC000096413340 407261103 /nfs/dbraw/zinc/26/11/03/407261103.db2.gz ZPKDTHQNFIEFLS-INIZCTEOSA-N 0 3 305.422 1.557 50 0 DDAAHN CCc1cccc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)c1 ZINC000096410737 407261306 /nfs/dbraw/zinc/26/13/06/407261306.db2.gz FCHBHRGTXWSFQW-OAHLLOKOSA-N 0 3 303.406 1.644 50 0 DDAAHN CCc1cccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)c1 ZINC000096410736 407261582 /nfs/dbraw/zinc/26/15/82/407261582.db2.gz FCHBHRGTXWSFQW-HNNXBMFYSA-N 0 3 303.406 1.644 50 0 DDAAHN CC[C@H](N[C@H](C)Cc1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000095969098 407218757 /nfs/dbraw/zinc/21/87/57/407218757.db2.gz CZTJTLQJGCBVLH-CJNGLKHVSA-N 0 3 308.397 1.984 50 0 DDAAHN CNC(=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000095985127 407221191 /nfs/dbraw/zinc/22/11/91/407221191.db2.gz PGOHDOVLUITIGP-RQJABVFESA-N 0 3 316.467 1.237 50 0 DDAAHN Cc1cnc(NC2CCN(C[C@@H]3CCCO3)CC2)nc1N(C)C ZINC000065419358 407242818 /nfs/dbraw/zinc/24/28/18/407242818.db2.gz RYQLGQGROUBRNV-HNNXBMFYSA-N 0 3 319.453 1.906 50 0 DDAAHN Cc1nccn1CCCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000096437567 407266975 /nfs/dbraw/zinc/26/69/75/407266975.db2.gz OAOUHZYLNURPGK-UHFFFAOYSA-N 0 3 319.453 1.898 50 0 DDAAHN CN(C)[C@H](CNC(=O)CN1CCCSCC1)c1ccccc1 ZINC000097096435 407279678 /nfs/dbraw/zinc/27/96/78/407279678.db2.gz RAICQTFITGIWIJ-MRXNPFEDSA-N 0 3 321.490 1.844 50 0 DDAAHN O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1cscn1 ZINC000097237895 407289217 /nfs/dbraw/zinc/28/92/17/407289217.db2.gz UBLHMXGEMOHALL-CQSZACIVSA-N 0 3 317.414 1.640 50 0 DDAAHN COc1cc2c(cc1CN1CCC3(C[C@H](O)CO3)CC1)OCO2 ZINC000097681971 407301569 /nfs/dbraw/zinc/30/15/69/407301569.db2.gz IQNHSPRLPFLSDN-ZDUSSCGKSA-N 0 3 321.373 1.540 50 0 DDAAHN CC(=O)Nc1ccc(CN2CCN(C3CCOCC3)CC2)cc1 ZINC000097797788 407303151 /nfs/dbraw/zinc/30/31/51/407303151.db2.gz XSMURUCSKPOALT-UHFFFAOYSA-N 0 3 317.433 1.942 50 0 DDAAHN COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2c(C)noc2C)C1 ZINC000108184030 407382386 /nfs/dbraw/zinc/38/23/86/407382386.db2.gz DRYIDVJYLYJBMD-RISCZKNCSA-N 0 3 309.410 1.655 50 0 DDAAHN COc1cc(Cl)ccc1C(=O)N1C[C@@H](CO)[C@H](N(C)C)C1 ZINC000257189332 407488696 /nfs/dbraw/zinc/48/86/96/407488696.db2.gz NQLIXZCATUGGTJ-GXFFZTMASA-N 0 3 312.797 1.343 50 0 DDAAHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccncn2)cc1 ZINC000253420916 407446590 /nfs/dbraw/zinc/44/65/90/407446590.db2.gz JKYJJGVVNMSGDK-CQSZACIVSA-N 0 3 315.377 1.910 50 0 DDAAHN Cc1nnc(NCc2ccccc2CN2CCC[C@H]2CO)o1 ZINC000240333466 407907289 /nfs/dbraw/zinc/90/72/89/407907289.db2.gz FDLAHFZVEHBCNA-HNNXBMFYSA-N 0 3 302.378 1.947 50 0 DDAAHN CN(C)C[C@H]1CN(C(=O)c2cc(C3CCCCC3)n[nH]2)CCO1 ZINC000135018118 407964366 /nfs/dbraw/zinc/96/43/66/407964366.db2.gz DOQBFGLJEFBYRB-AWEZNQCLSA-N 0 3 320.437 1.860 50 0 DDAAHN Cc1cc(C)n([C@H]2CCN(CCCS(=O)(=O)N(C)C)C2)n1 ZINC000244734939 407935215 /nfs/dbraw/zinc/93/52/15/407935215.db2.gz NOGKYGYQHAKZDP-AWEZNQCLSA-N 0 3 314.455 1.028 50 0 DDAAHN CN(CC[N@@H+]1C[C@H]2CC[C@@H]1C2)Cc1cccc(-c2nnn[n-]2)c1 ZINC000244773897 407939521 /nfs/dbraw/zinc/93/95/21/407939521.db2.gz PIKUVAVBGIFISP-GOEBONIOSA-N 0 3 312.421 1.783 50 0 DDAAHN CN(CC[N@H+]1C[C@H]2CC[C@@H]1C2)Cc1cccc(-c2nnn[n-]2)c1 ZINC000244773897 407939523 /nfs/dbraw/zinc/93/95/23/407939523.db2.gz PIKUVAVBGIFISP-GOEBONIOSA-N 0 3 312.421 1.783 50 0 DDAAHN CN(CC[N@@H+]1C[C@H]2CC[C@@H]1C2)Cc1cccc(-c2nn[n-]n2)c1 ZINC000244773897 407939526 /nfs/dbraw/zinc/93/95/26/407939526.db2.gz PIKUVAVBGIFISP-GOEBONIOSA-N 0 3 312.421 1.783 50 0 DDAAHN CN(CC[N@H+]1C[C@H]2CC[C@@H]1C2)Cc1cccc(-c2nn[n-]n2)c1 ZINC000244773897 407939529 /nfs/dbraw/zinc/93/95/29/407939529.db2.gz PIKUVAVBGIFISP-GOEBONIOSA-N 0 3 312.421 1.783 50 0 DDAAHN OCCN(Cc1ccccc1)C[C@H](O)COC[C@H]1CCCO1 ZINC000247730904 408506925 /nfs/dbraw/zinc/50/69/25/408506925.db2.gz HFQOHCQKYAXMMO-DLBZAZTESA-N 0 3 309.406 1.037 50 0 DDAAHN CCn1nc(C(=O)NCc2ccc(OC)cc2)c2c1CCNC2 ZINC000299754975 410604940 /nfs/dbraw/zinc/60/49/40/410604940.db2.gz ANAGCDKCCSMXCX-UHFFFAOYSA-N 0 3 314.389 1.487 50 0 DDAAHN CCOC(=O)CCN1C(=O)CC[C@@H]1CCNCc1cccnc1 ZINC000299757337 410609807 /nfs/dbraw/zinc/60/98/07/410609807.db2.gz LYSOMPIDCSIMFY-OAHLLOKOSA-N 0 3 319.405 1.506 50 0 DDAAHN CN1CCOC[C@@H](CNC(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000299787431 410628790 /nfs/dbraw/zinc/62/87/90/410628790.db2.gz NOJZLTKQISNNHS-NSHDSACASA-N 0 3 303.366 1.263 50 0 DDAAHN O=C(C[C@H]1CNCCO1)NCc1cc(-c2ccccc2F)no1 ZINC000299802010 410638383 /nfs/dbraw/zinc/63/83/83/410638383.db2.gz ZSLIPURAJOKKSR-NSHDSACASA-N 0 3 319.336 1.475 50 0 DDAAHN COc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cn1 ZINC000131637820 196186458 /nfs/dbraw/zinc/18/64/58/196186458.db2.gz XQLRFZSIBKNIPY-INIZCTEOSA-N 0 3 305.422 1.634 50 0 DDAAHN CNC(=O)C(C)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000046106568 418445805 /nfs/dbraw/zinc/44/58/05/418445805.db2.gz XLAOFQSYIXYKMD-MRVPVSSYSA-N 0 3 309.309 1.755 50 0 DDAAHN COc1ccccc1N1CC[C@H](N[C@@H](C)[C@@H]2CCCO2)C1=O ZINC000108498166 418500050 /nfs/dbraw/zinc/50/00/50/418500050.db2.gz UBNDEONHEAILLN-YDHLFZDLSA-N 0 3 304.390 1.958 50 0 DDAAHN COc1c(NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c(C)nn1C ZINC000239869267 222210190 /nfs/dbraw/zinc/21/01/90/222210190.db2.gz CXXVDYVWOGRJDS-ZYHUDNBSSA-N 0 3 309.414 1.541 50 0 DDAAHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cccnn2)cc1 ZINC000345537226 418636717 /nfs/dbraw/zinc/63/67/17/418636717.db2.gz JDRCJXYRKUXZJB-CQSZACIVSA-N 0 3 315.377 1.910 50 0 DDAAHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)[C@H]1CCCOC1 ZINC000408517086 418806760 /nfs/dbraw/zinc/80/67/60/418806760.db2.gz RXCNRNITEMMRCS-GOEBONIOSA-N 0 3 304.390 1.618 50 0 DDAAHN O=C(c1cc(C(F)F)[nH]n1)N1CCN(C2CCOCC2)CC1 ZINC000426407462 419461701 /nfs/dbraw/zinc/46/17/01/419461701.db2.gz AUTWWJWPXSBQMM-UHFFFAOYSA-N 0 3 314.336 1.284 50 0 DDAAHN CCN1CCC[C@H]1CNC(=O)N1CC(Oc2ccccc2)C1 ZINC000426658187 419525924 /nfs/dbraw/zinc/52/59/24/419525924.db2.gz HQRPWDGICIFUEL-AWEZNQCLSA-N 0 3 303.406 1.944 50 0 DDAAHN COCCN1CC[C@H](c2nc3c([nH]2)C(=O)NCC(C)(C)C3)C1 ZINC000065393925 274033416 /nfs/dbraw/zinc/03/34/16/274033416.db2.gz XFTVTQAQOFJZGE-NSHDSACASA-N 0 3 306.410 1.158 50 0 DDAAHN CC(=O)Nc1nc(C(=O)NC[C@@H](C(C)C)N2CCCC2)cs1 ZINC000065609063 275497145 /nfs/dbraw/zinc/49/71/45/275497145.db2.gz PHNLKOQYJSXLHP-ZDUSSCGKSA-N 0 3 324.450 1.952 50 0 DDAAHN CNC(=O)[C@H](C)Cn1ccnc1-c1cccc(CN(C)C)c1 ZINC000082098526 290598534 /nfs/dbraw/zinc/59/85/34/290598534.db2.gz JEHCTRVKLNQDBG-CYBMUJFWSA-N 0 3 300.406 1.994 50 0 DDAAHN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C(C)S(C)(=O)=O ZINC000084736499 484001126 /nfs/dbraw/zinc/00/11/26/484001126.db2.gz SSVDKYFLZYNOOB-TZMCWYRMSA-N 0 3 324.446 1.677 50 0 DDAAHN COCCN1CC[C@H](CN(C)C(=O)c2cnc(SC)nc2)C1 ZINC000230568221 563773397 /nfs/dbraw/zinc/77/33/97/563773397.db2.gz HIOLOPCEARWDME-GFCCVEGCSA-N 0 3 324.450 1.239 50 0 DDAAHN Cc1cccnc1CN1CCN(C(=O)[C@H](N)CC(C)C)CC1 ZINC000071681354 696392315 /nfs/dbraw/zinc/39/23/15/696392315.db2.gz KIZLFLODWIGCNS-OAHLLOKOSA-N 0 3 304.438 1.408 50 0 DDAAHN CCn1ccc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)n1 ZINC000077536757 696440857 /nfs/dbraw/zinc/44/08/57/696440857.db2.gz ZKKPILRKXNRUFY-CQSZACIVSA-N 0 3 320.437 1.476 50 0 DDAAHN O=C(CC1CCCC1)N1CCC2(C[C@H]3C(=O)NCCN3C2)CC1 ZINC000169791922 697346659 /nfs/dbraw/zinc/34/66/59/697346659.db2.gz CODBOJZBIXNKDO-HNNXBMFYSA-N 0 3 319.449 1.380 50 0 DDAAHN N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(CO)c1 ZINC000318808857 698707197 /nfs/dbraw/zinc/70/71/97/698707197.db2.gz NZASEZFESSPAFG-INIZCTEOSA-N 0 3 300.358 1.071 50 0 DDAAHN Cc1nn(C)c(C)c1[C@@H](N)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000958528492 716612801 /nfs/dbraw/zinc/61/28/01/716612801.db2.gz UVJYZYLXGGBOBV-CZUORRHYSA-N 0 3 324.425 1.409 50 0 DDAAHN Cc1ccccc1NC(=O)CCNC(=O)[C@H](C)N1CCCC1 ZINC000828075247 759468954 /nfs/dbraw/zinc/46/89/54/759468954.db2.gz ZUGMOTFVIYXBOG-AWEZNQCLSA-N 0 3 303.406 1.924 50 0 DDAAHN CO[C@H]1CN(C2CCN(C(=O)C3CC3)CC2)C12CCOCC2 ZINC000581801862 761707409 /nfs/dbraw/zinc/70/74/09/761707409.db2.gz 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/nfs/dbraw/zinc/77/82/18/406778218.db2.gz AMJMQFPPDSMUAW-XJKSGUPXSA-N 0 3 304.369 1.863 50 0 DDAAHN CCOC(=O)Nc1ccc2c(CNC[C@H](C)O)cc(=O)oc2c1 ZINC000008038970 406776670 /nfs/dbraw/zinc/77/66/70/406776670.db2.gz LKTFXEMTMMCIDF-JTQLQIEISA-N 0 3 320.345 1.832 50 0 DDAAHN COc1cccc(CNC(=O)CN[C@H](C)[C@H](C)n2cccn2)c1 ZINC000069926565 406794718 /nfs/dbraw/zinc/79/47/18/406794718.db2.gz FSHWUDGDOXACON-KGLIPLIRSA-N 0 3 316.405 1.747 50 0 DDAAHN C[C@@H]1C[C@H](C)CN(C(=O)CCC(=O)NCCN2CCCC2)C1 ZINC000009763528 406813167 /nfs/dbraw/zinc/81/31/67/406813167.db2.gz AGERSBWUJNHMPS-GASCZTMLSA-N 0 3 309.454 1.483 50 0 DDAAHN COc1ccc(-c2ccc(N3CCNCC3)nn2)cc1OC ZINC000070458895 406817212 /nfs/dbraw/zinc/81/72/12/406817212.db2.gz REEUNSFBBYHNCR-UHFFFAOYSA-N 0 3 300.362 1.570 50 0 DDAAHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000011754308 406830852 /nfs/dbraw/zinc/83/08/52/406830852.db2.gz OZYCLHNIDOOQBJ-INIZCTEOSA-N 0 3 310.401 1.300 50 0 DDAAHN CC1CCN(C[C@@H](O)Cn2nc(-c3cccs3)oc2=O)CC1 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CN(C)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)nn1 ZINC000072253221 406876408 /nfs/dbraw/zinc/87/64/08/406876408.db2.gz XQQSNVQSQXGTSF-KBPBESRZSA-N 0 3 303.410 1.241 50 0 DDAAHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000072282402 406878481 /nfs/dbraw/zinc/87/84/81/406878481.db2.gz LQMTZHSNKRRHRA-SWLSCSKDSA-N 0 3 322.430 1.574 50 0 DDAAHN COc1ccc2c(c1)N=C1[C@@H](CC(=O)N1CCN(C)C)S2 ZINC000020032077 406885779 /nfs/dbraw/zinc/88/57/79/406885779.db2.gz FIPJYCSLXSWRIM-CYBMUJFWSA-N 0 3 305.403 1.993 50 0 DDAAHN CN1C[C@@H]2CC[C@H](CC1=O)N2Cc1cnc(-c2ccco2)nc1 ZINC000071779989 406842131 /nfs/dbraw/zinc/84/21/31/406842131.db2.gz HHNAGUIFSYSBML-KGLIPLIRSA-N 0 3 312.373 1.932 50 0 DDAAHN CNC(=O)C1CCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000028903378 406919921 /nfs/dbraw/zinc/91/99/21/406919921.db2.gz FUNISLITDAAQOI-UHFFFAOYSA-N 0 3 307.369 1.612 50 0 DDAAHN C[C@H]1CN(CCCCNC(=O)Nc2nncs2)C[C@H](C)O1 ZINC000075110088 406921652 /nfs/dbraw/zinc/92/16/52/406921652.db2.gz JTIPIORVWTVKKP-QWRGUYRKSA-N 0 3 313.427 1.549 50 0 DDAAHN Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)CN2CCCC2)cc1 ZINC000031903749 406943940 /nfs/dbraw/zinc/94/39/40/406943940.db2.gz IHUYFKIORSRPOT-CQSZACIVSA-N 0 3 312.435 1.072 50 0 DDAAHN CSc1nccc(N2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000032590508 406949989 /nfs/dbraw/zinc/94/99/89/406949989.db2.gz JSRBKIAPVGUTDY-STQMWFEESA-N 0 3 308.451 1.624 50 0 DDAAHN Cc1cc(N2CCN(CCOc3ccccc3)CC2)nc(N)n1 ZINC000032908937 406955065 /nfs/dbraw/zinc/95/50/65/406955065.db2.gz LEUSPFGBEZYWPF-UHFFFAOYSA-N 0 3 313.405 1.568 50 0 DDAAHN CCN1CCC[C@H]1CNC(=O)c1cccnc1N1CCOCC1 ZINC000041975059 407010653 /nfs/dbraw/zinc/01/06/53/407010653.db2.gz MQXPFUYHSYPDCJ-AWEZNQCLSA-N 0 3 318.421 1.132 50 0 DDAAHN CC(C(=O)NC[C@H]1CCN(c2ccccc2)C1)S(C)(=O)=O ZINC000048126336 407089830 /nfs/dbraw/zinc/08/98/30/407089830.db2.gz ITBSIZAWIHGDKZ-CHWSQXEVSA-N 0 3 310.419 1.062 50 0 DDAAHN O=C(NC1CCN(C2CC2)CC1)c1ccccc1-n1cnnn1 ZINC000048237538 407092256 /nfs/dbraw/zinc/09/22/56/407092256.db2.gz JXLBHIZJOUGQLP-UHFFFAOYSA-N 0 3 312.377 1.019 50 0 DDAAHN CC(=O)Nc1nc(C(=O)NC[C@H]2CCN(C3CC3)C2)cs1 ZINC000048251512 407092660 /nfs/dbraw/zinc/09/26/60/407092660.db2.gz JONXPBZUTCMNKV-SNVBAGLBSA-N 0 3 308.407 1.316 50 0 DDAAHN Cc1ccn2cc(C(=O)NCCCN3CCN(C)CC3)nc2c1 ZINC000048326688 407094981 /nfs/dbraw/zinc/09/49/81/407094981.db2.gz LFWHOFOLRPSBLG-UHFFFAOYSA-N 0 3 315.421 1.010 50 0 DDAAHN CS(=O)(=O)CC1(CNCc2cc3ccccc3[nH]c2=O)CC1 ZINC000089484213 407136621 /nfs/dbraw/zinc/13/66/21/407136621.db2.gz RBWJODCTJUOFBC-UHFFFAOYSA-N 0 3 320.414 1.855 50 0 DDAAHN Cc1ccsc1CN(CCN(C)C)C(=O)C1=NNC(=O)CC1 ZINC000055360000 407201819 /nfs/dbraw/zinc/20/18/19/407201819.db2.gz QDMVAKBLEFUGNH-UHFFFAOYSA-N 0 3 322.434 1.213 50 0 DDAAHN Cc1cc(C)c2c(ncnc2NCC2(O)CCN(C)CC2)n1 ZINC000095362522 407209272 /nfs/dbraw/zinc/20/92/72/407209272.db2.gz AKSJSFUXHRXQOC-UHFFFAOYSA-N 0 3 301.394 1.510 50 0 DDAAHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCCSC1 ZINC000095996608 407223205 /nfs/dbraw/zinc/22/32/05/407223205.db2.gz OHBSUZYBWIWWSG-CQSZACIVSA-N 0 3 314.499 1.161 50 0 DDAAHN CN(CCCNS(C)(=O)=O)CCOc1cccc(Cl)c1 ZINC000066411651 407249831 /nfs/dbraw/zinc/24/98/31/407249831.db2.gz YMMXLRTWJPDUQK-UHFFFAOYSA-N 0 3 320.842 1.590 50 0 DDAAHN CN(C)CCn1nnnc1SCc1nc2ccc(F)cc2o1 ZINC000096465940 407269799 /nfs/dbraw/zinc/26/97/99/407269799.db2.gz MCFJISBLXBOKKK-UHFFFAOYSA-N 0 3 322.369 1.807 50 0 DDAAHN COC(=O)c1cn(C2CCN(Cc3ccsc3)CC2)nn1 ZINC000097139371 407281912 /nfs/dbraw/zinc/28/19/12/407281912.db2.gz RZJBBIUOAUDALC-UHFFFAOYSA-N 0 3 306.391 1.963 50 0 DDAAHN Cn1cc(CNC2CCN(C(=O)c3ccccc3F)CC2)cn1 ZINC000097159091 407284295 /nfs/dbraw/zinc/28/42/95/407284295.db2.gz MQLIHKILXJWTQN-UHFFFAOYSA-N 0 3 316.380 1.954 50 0 DDAAHN CC(C)N1CCN(Cc2cccc(OCCO)c2)C[C@H]1CCO ZINC000104305188 407350839 /nfs/dbraw/zinc/35/08/39/407350839.db2.gz IOQGWFLTNYWKFR-QGZVFWFLSA-N 0 3 322.449 1.335 50 0 DDAAHN O=C(CN1C[C@@H](O)C[C@H]1C1CCCCC1)NCc1ccccn1 ZINC000107321412 407372866 /nfs/dbraw/zinc/37/28/66/407372866.db2.gz QOZFSZUUCHYSCK-IRXDYDNUSA-N 0 3 317.433 1.713 50 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316.405 1.795 50 0 DDAAHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC000069892564 406787244 /nfs/dbraw/zinc/78/72/44/406787244.db2.gz NWSSWWIAJSVBOG-HOCLYGCPSA-N 0 3 313.405 1.620 50 0 DDAAHN CN1CCO[C@@H](CNCC(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000069879838 406787388 /nfs/dbraw/zinc/78/73/88/406787388.db2.gz CPNKFKGQHRBHSH-HNNXBMFYSA-N 0 3 323.462 1.159 50 0 DDAAHN Cc1ccc(CN(C)C(=O)CN[C@@H]2CCc3nc(C)nn3C2)o1 ZINC000069976546 406799326 /nfs/dbraw/zinc/79/93/26/406799326.db2.gz GCZQZGWIIPSMQF-CYBMUJFWSA-N 0 3 317.393 1.051 50 0 DDAAHN CCN1CCO[C@@H](CNCc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000069976763 406799490 /nfs/dbraw/zinc/79/94/90/406799490.db2.gz ZJJXJWCTXJKKRE-DYVFJYSZSA-N 0 3 320.433 1.829 50 0 DDAAHN Cc1cnn(C[C@@H](C)NCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000070040883 406807209 /nfs/dbraw/zinc/80/72/09/406807209.db2.gz POIBWGUYTLAHIE-CQSZACIVSA-N 0 3 311.389 1.686 50 0 DDAAHN Cn1nnc2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)ccc21 ZINC000071870447 406857151 /nfs/dbraw/zinc/85/71/51/406857151.db2.gz SPKGDWAPGVTBCP-JKSUJKDBSA-N 0 3 313.405 1.667 50 0 DDAAHN CCc1nnc2n1C[C@H](CN[C@H](C(N)=O)c1ccccc1)CC2 ZINC000071871887 406858063 /nfs/dbraw/zinc/85/80/63/406858063.db2.gz QFRVVNMOACUOHV-LRDDRELGSA-N 0 3 313.405 1.219 50 0 DDAAHN CCN1CCO[C@H](CNCc2cc3c(c(OC)c2)OCO3)C1 ZINC000071880811 406861030 /nfs/dbraw/zinc/86/10/30/406861030.db2.gz YGNHOHQTKMRCHP-CYBMUJFWSA-N 0 3 308.378 1.234 50 0 DDAAHN COCCCN1CCCN(C(=O)NCCc2ccccn2)CC1 ZINC000071913586 406866725 /nfs/dbraw/zinc/86/67/25/406866725.db2.gz ZXVGNUHMQFKEJQ-UHFFFAOYSA-N 0 3 320.437 1.378 50 0 DDAAHN COCc1cn(CC2CCN(Cc3cccn3C)CC2)nn1 ZINC000020540876 406887969 /nfs/dbraw/zinc/88/79/69/406887969.db2.gz OUZVSWXKKIPHHW-UHFFFAOYSA-N 0 3 303.410 1.675 50 0 DDAAHN CCOC(=O)C1=C(CNC(C)(C)C)NC(=O)N[C@H]1c1ccco1 ZINC000023697549 406892198 /nfs/dbraw/zinc/89/21/98/406892198.db2.gz FZALNMOHTYZWNO-ZDUSSCGKSA-N 0 3 321.377 1.839 50 0 DDAAHN CNC1(c2nnnn2-c2ccccc2C(=O)OC)CCCC1 ZINC000035170732 406968977 /nfs/dbraw/zinc/96/89/77/406968977.db2.gz URSMDHSTDYUPEB-UHFFFAOYSA-N 0 3 301.350 1.438 50 0 DDAAHN CC(C)Cn1ccnc1CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000074536492 406914565 /nfs/dbraw/zinc/91/45/65/406914565.db2.gz FAAQCGAEYGTMAW-CQSZACIVSA-N 0 3 307.442 1.775 50 0 DDAAHN c1cc(NCC2(N3CCSCC3)CCCC2)nn2nnnc12 ZINC000029622805 406924923 /nfs/dbraw/zinc/92/49/23/406924923.db2.gz IVDKCCRBFWHUCL-UHFFFAOYSA-N 0 3 319.438 1.293 50 0 DDAAHN COc1cc(CNCCN2CCOCC2)ccc1OC(C)C ZINC000032210440 406946067 /nfs/dbraw/zinc/94/60/67/406946067.db2.gz PHVJJHTYAQHGRV-UHFFFAOYSA-N 0 3 308.422 1.904 50 0 DDAAHN OCCN1CCN(C2CCN(c3ncccc3Cl)CC2)CC1 ZINC000032540650 406948912 /nfs/dbraw/zinc/94/89/12/406948912.db2.gz AAWNARONTWINHH-UHFFFAOYSA-N 0 3 324.856 1.314 50 0 DDAAHN Cc1csc(CNC(=O)NC[C@@H](O)CN2CCCCC2)n1 ZINC000044954791 407036034 /nfs/dbraw/zinc/03/60/34/407036034.db2.gz FRCFDXIGCUPCCV-GFCCVEGCSA-N 0 3 312.439 1.098 50 0 DDAAHN C[C@@H]1CN(C(=O)CN2C[C@H](O)C[C@@H]2C2CCCCC2)C[C@H](C)O1 ZINC000078726447 407043599 /nfs/dbraw/zinc/04/35/99/407043599.db2.gz RCHJQXHOFKRECN-YALNPMBYSA-N 0 3 324.465 1.638 50 0 DDAAHN CN(C)C1(CNS(=O)(=O)N(C)C2CCCCC2)CCCC1 ZINC000045744224 407048409 /nfs/dbraw/zinc/04/84/09/407048409.db2.gz DXUHBDAXFAKXCA-UHFFFAOYSA-N 0 3 317.499 1.960 50 0 DDAAHN C[C@H](CNS(=O)(=O)N1CCC(C)CC1)N1CCC[C@H](C)C1 ZINC000045744899 407048535 /nfs/dbraw/zinc/04/85/35/407048535.db2.gz XHODJLOPBHOTNE-LSDHHAIUSA-N 0 3 317.499 1.673 50 0 DDAAHN COc1ccccc1N1CCC(N2CCOC[C@H](CO)C2)CC1 ZINC000077299406 406983472 /nfs/dbraw/zinc/98/34/72/406983472.db2.gz FIBPDXLANJNADR-HNNXBMFYSA-N 0 3 320.433 1.605 50 0 DDAAHN O=c1c2c(ncn1CCN1CCCC1)sc1c2CCNC1 ZINC000077376564 406987493 /nfs/dbraw/zinc/98/74/93/406987493.db2.gz CBABRBSQDKXBQY-UHFFFAOYSA-N 0 3 304.419 1.200 50 0 DDAAHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCn2cncn2)C1 ZINC000084636465 407092007 /nfs/dbraw/zinc/09/20/07/407092007.db2.gz LSTKAHWSIVAWBZ-ZIAGYGMSSA-N 0 3 323.441 1.903 50 0 DDAAHN CCN1CCC[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000084789102 407093890 /nfs/dbraw/zinc/09/38/90/407093890.db2.gz DSYLZOGSSCDQHM-CABCVRRESA-N 0 3 307.438 1.236 50 0 DDAAHN Cc1nn(C)c(Cl)c1C(=O)N1CCN(c2ccncc2)CC1 ZINC000054918309 407191505 /nfs/dbraw/zinc/19/15/05/407191505.db2.gz OLXVVGAGWHWURX-UHFFFAOYSA-N 0 3 319.796 1.739 50 0 DDAAHN CC(C)C[C@@H](CN(C)C)NC(=O)NCc1nnc2ccccn21 ZINC000089802476 407150831 /nfs/dbraw/zinc/15/08/31/407150831.db2.gz JZCKCDSVFOOADI-ZDUSSCGKSA-N 0 3 318.425 1.505 50 0 DDAAHN Cc1nc2c(c(=O)[n-]1)CN(C(=O)CC[C@H]1CCC[N@@H+](C)C1)C2 ZINC000095356453 407208285 /nfs/dbraw/zinc/20/82/85/407208285.db2.gz JCFGNWCELBKJJU-GFCCVEGCSA-N 0 3 304.394 1.043 50 0 DDAAHN Cc1nc2c(c(=O)[n-]1)CN(C(=O)CC[C@H]1CCC[N@H+](C)C1)C2 ZINC000095356453 407208286 /nfs/dbraw/zinc/20/82/86/407208286.db2.gz JCFGNWCELBKJJU-GFCCVEGCSA-N 0 3 304.394 1.043 50 0 DDAAHN CC(C)OC(=O)C[C@@H](NC(=O)[C@]1(F)CCNC1)c1ccccc1 ZINC000095971662 407218600 /nfs/dbraw/zinc/21/86/00/407218600.db2.gz ZPANXBHZNWLSIM-PBHICJAKSA-N 0 3 322.380 1.887 50 0 DDAAHN CC(C)[C@H](NC[C@@H](O)c1ccccc1F)C(=O)N1CCOCC1 ZINC000095985489 407220879 /nfs/dbraw/zinc/22/08/79/407220879.db2.gz BSPCJQOMTWBGKG-CVEARBPZSA-N 0 3 324.396 1.332 50 0 DDAAHN CN(C)CCN(C)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000096008153 407223371 /nfs/dbraw/zinc/22/33/71/407223371.db2.gz OLGQVRPSCWNYTP-UHFFFAOYSA-N 0 3 315.421 1.790 50 0 DDAAHN CCOc1ncccc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000061650310 407229705 /nfs/dbraw/zinc/22/97/05/407229705.db2.gz ZSLAUKWXUQWXCO-STQMWFEESA-N 0 3 305.378 1.073 50 0 DDAAHN O[C@@H]1CCCN(CCCNc2cc(N3CCCCC3)ncn2)C1 ZINC000065383743 407243169 /nfs/dbraw/zinc/24/31/69/407243169.db2.gz PVBHEGBWMAVSFN-OAHLLOKOSA-N 0 3 319.453 1.726 50 0 DDAAHN Cc1c(C(=O)NCCN(C)C)nnn1-c1cccc(F)c1C ZINC000067264080 407269811 /nfs/dbraw/zinc/26/98/11/407269811.db2.gz NPNXUGDTBWOYRE-UHFFFAOYSA-N 0 3 305.357 1.315 50 0 DDAAHN CN(CCNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1)C1CC1 ZINC000096467160 407269872 /nfs/dbraw/zinc/26/98/72/407269872.db2.gz MBFANLYDDRMJBO-CABCVRRESA-N 0 3 321.421 1.971 50 0 DDAAHN CCC[C@H](N)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000096481168 407270619 /nfs/dbraw/zinc/27/06/19/407270619.db2.gz GRMBZLKORRSMFR-HNNXBMFYSA-N 0 3 303.406 1.489 50 0 DDAAHN CC(C)N(C)CC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000096474032 407271098 /nfs/dbraw/zinc/27/10/98/407271098.db2.gz WFHPTLVDWRNTPR-ZDUSSCGKSA-N 0 3 301.394 1.785 50 0 DDAAHN COCc1ncc(CN2CCC3(CC2)CCNC(=O)CC3)cn1 ZINC000067605932 407277533 /nfs/dbraw/zinc/27/75/33/407277533.db2.gz YSABOMHMTBZBCC-UHFFFAOYSA-N 0 3 318.421 1.505 50 0 DDAAHN NC(=O)c1cc(N2CC[C@H](OCCN3CCCCC3)C2)ccn1 ZINC000097095855 407279620 /nfs/dbraw/zinc/27/96/20/407279620.db2.gz WKHUXSFGSURFIG-HNNXBMFYSA-N 0 3 318.421 1.262 50 0 DDAAHN C=Cc1cccc(CN2CCC[C@@H](CNC(=O)C(N)=O)C2)c1 ZINC000067755655 407282981 /nfs/dbraw/zinc/28/29/81/407282981.db2.gz FKJSPDVQAIITNP-HNNXBMFYSA-N 0 3 301.390 1.143 50 0 DDAAHN CC(=O)Nc1cccc(NC(=O)N2C[C@H](N(C)C)C[C@H]2CO)c1 ZINC000097694866 407301587 /nfs/dbraw/zinc/30/15/87/407301587.db2.gz UBRBPCXXPHNINL-CABCVRRESA-N 0 3 320.393 1.174 50 0 DDAAHN Nc1ncccc1CN1CCCO[C@@H](CN2CCCCC2)C1 ZINC000215935072 407492077 /nfs/dbraw/zinc/49/20/77/407492077.db2.gz MDNZIALTCBNEPG-INIZCTEOSA-N 0 3 304.438 1.741 50 0 DDAAHN Cc1ccc(CCNC(=O)CC[C@@H](C)N2CCN(C)CC2)o1 ZINC000220115026 407537879 /nfs/dbraw/zinc/53/78/79/407537879.db2.gz QWZYDPXFLIVTMD-CQSZACIVSA-N 0 3 307.438 1.663 50 0 DDAAHN C[C@@H]1CCCC[C@H]1OCCN1CCNC[C@H]1c1nccn1C ZINC000261840508 407638444 /nfs/dbraw/zinc/63/84/44/407638444.db2.gz WMTBJPXNQWXTHT-OWCLPIDISA-N 0 3 306.454 1.962 50 0 DDAAHN C[C@@H]1Cc2ccccc2N1C(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000131266499 407729484 /nfs/dbraw/zinc/72/94/84/407729484.db2.gz JLQLYRXAKCTUDU-VHDGCEQUSA-N 0 3 315.417 1.598 50 0 DDAAHN CCCn1ccnc1CNC(=O)CC[C@H](C)N1CCN(C)CC1 ZINC000243901025 407922374 /nfs/dbraw/zinc/92/23/74/407922374.db2.gz AYPKJJNUBDTNDR-HNNXBMFYSA-N 0 3 321.469 1.325 50 0 DDAAHN COc1ccc(S(=O)(=O)N2CC(N[C@@H](C)C3CC3)C2)cc1 ZINC000191499496 408434223 /nfs/dbraw/zinc/43/42/23/408434223.db2.gz IRDMDJNEZPCHEV-NSHDSACASA-N 0 3 310.419 1.456 50 0 DDAAHN O=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@H]1CCCNC1 ZINC000252488949 408798530 /nfs/dbraw/zinc/79/85/30/408798530.db2.gz JCOHJFTWJZFUCQ-JTQLQIEISA-N 0 3 306.790 1.651 50 0 DDAAHN C[C@H]([C@H](C)NCC(=O)N1CCO[C@@H]2CCCC[C@H]21)n1cccn1 ZINC000252518017 408803942 /nfs/dbraw/zinc/80/39/42/408803942.db2.gz XKEKHOJNANJCMV-ZJIFWQFVSA-N 0 3 320.437 1.592 50 0 DDAAHN C[C@@H](NCCn1cccn1)C(=O)NCCc1ccc(F)cc1 ZINC000072267786 287030890 /nfs/dbraw/zinc/03/08/90/287030890.db2.gz CHNBRARQPUDVLM-CYBMUJFWSA-N 0 3 304.369 1.359 50 0 DDAAHN CN1CCN(CCC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000299757681 410609154 /nfs/dbraw/zinc/60/91/54/410609154.db2.gz MGUUBTJNPCJBOR-MRXNPFEDSA-N 0 3 319.424 1.779 50 0 DDAAHN O=C(NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1cnn[n-]1 ZINC000299775936 410620992 /nfs/dbraw/zinc/62/09/92/410620992.db2.gz MLDYEJYMERNYHX-OAHLLOKOSA-N 0 3 313.405 1.489 50 0 DDAAHN O=C(NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cnn[n-]1 ZINC000299775936 410620996 /nfs/dbraw/zinc/62/09/96/410620996.db2.gz MLDYEJYMERNYHX-OAHLLOKOSA-N 0 3 313.405 1.489 50 0 DDAAHN Cc1cc(Cl)ccc1CNC[C@@](C)(O)CN1CCOCC1 ZINC000129855656 196080385 /nfs/dbraw/zinc/08/03/85/196080385.db2.gz WOCIWFMYDFIEQM-MRXNPFEDSA-N 0 3 312.841 1.821 50 0 DDAAHN CCN(Cc1ccc2c(c1)OCO2)C[C@H](O)Cn1cccn1 ZINC000044975249 418435901 /nfs/dbraw/zinc/43/59/01/418435901.db2.gz NKDKGYWQTCHUTQ-AWEZNQCLSA-N 0 3 303.362 1.495 50 0 DDAAHN C[C@H](CNC(=O)c1cccnc1N1CCOCC1)N1CCCC1 ZINC000048128586 418465820 /nfs/dbraw/zinc/46/58/20/418465820.db2.gz YXNMONCRWPLZLX-CQSZACIVSA-N 0 3 318.421 1.132 50 0 DDAAHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCCc1cnn(C)c1 ZINC000108099871 418499636 /nfs/dbraw/zinc/49/96/36/418499636.db2.gz UTAAHNPDLOFRQH-GDBMZVCRSA-N 0 3 321.469 1.724 50 0 DDAAHN CN1CCN(CC[C@H]2CCCCN2C(=O)c2c[nH]cn2)CC1 ZINC000299785843 277107045 /nfs/dbraw/zinc/10/70/45/277107045.db2.gz OJMRUOFQMGODCA-CQSZACIVSA-N 0 3 305.426 1.042 50 0 DDAAHN CN1CCN(CC[C@H]2CCCCN2C(=O)c2cnc[nH]2)CC1 ZINC000299785843 277107047 /nfs/dbraw/zinc/10/70/47/277107047.db2.gz OJMRUOFQMGODCA-CQSZACIVSA-N 0 3 305.426 1.042 50 0 DDAAHN Cc1ccccc1[C@H](CN1CCOCC1)N[C@@H]1C=C[C@H](CO)C1 ZINC000183734005 302184793 /nfs/dbraw/zinc/18/47/93/302184793.db2.gz VACCRMBAADQDHE-SCTDSRPQSA-N 0 3 316.445 1.895 50 0 DDAAHN CCOc1c(CNCCSc2nnnn2C)cccc1OC ZINC000004998027 331488358 /nfs/dbraw/zinc/48/83/58/331488358.db2.gz BAPZQYPLBUCNPW-UHFFFAOYSA-N 0 3 323.422 1.499 50 0 DDAAHN O=C(C[C@H]1CNCCO1)NCCCN1CCCc2ccccc21 ZINC000534578581 334288710 /nfs/dbraw/zinc/28/87/10/334288710.db2.gz OPTCVEOAVQXEFC-INIZCTEOSA-N 0 3 317.433 1.324 50 0 DDAAHN CN1CCC(CNS(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000022999781 337350932 /nfs/dbraw/zinc/35/09/32/337350932.db2.gz QWAZGEPKTFZADP-UHFFFAOYSA-N 0 3 300.399 1.587 50 0 DDAAHN Cc1cc(C)n(CCCN(C)CC[C@@H]2CCS(=O)(=O)C2)n1 ZINC000670452951 484840465 /nfs/dbraw/zinc/84/04/65/484840465.db2.gz IZHYRNZWPSPYNH-OAHLLOKOSA-N 0 3 313.467 1.647 50 0 DDAAHN O=C(NCCN1CCCC[C@@H]1CO)C1(c2ccccc2F)CC1 ZINC000670466900 484846894 /nfs/dbraw/zinc/84/68/94/484846894.db2.gz FTWNNUPVUSCHHH-CQSZACIVSA-N 0 3 320.408 1.820 50 0 DDAAHN CN(CCCn1cccn1)Cc1cc(=O)n2ccsc2n1 ZINC000670467429 484847303 /nfs/dbraw/zinc/84/73/03/484847303.db2.gz CFHQMYMELGWVMI-UHFFFAOYSA-N 0 3 303.391 1.475 50 0 DDAAHN CSc1cccc(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)c1 ZINC000019217826 696068917 /nfs/dbraw/zinc/06/89/17/696068917.db2.gz XTIQHMXAXHINDF-IAGOWNOFSA-N 0 3 322.474 1.676 50 0 DDAAHN Cc1nccn1[C@@H](C)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000426627639 699155387 /nfs/dbraw/zinc/15/53/87/699155387.db2.gz HVBZQIUGBYEWMC-ZDUSSCGKSA-N 0 3 306.410 1.076 50 0 DDAAHN O=C(CN1CCCCCC1)N1CCN(C(=O)C2CCC2)CC1 ZINC000952964206 721528303 /nfs/dbraw/zinc/52/83/03/721528303.db2.gz BZCLUWHEKITDSS-UHFFFAOYSA-N 0 3 307.438 1.333 50 0 DDAAHN Cc1ncc(CN2CCC[C@H](CNC(=O)C3CCOCC3)C2)[nH]1 ZINC000827763913 759377524 /nfs/dbraw/zinc/37/75/24/759377524.db2.gz VLYQOWUFXCCANP-CQSZACIVSA-N 0 3 320.437 1.473 50 0 DDAAHN COCc1ncc(C)n1CCNC(=O)CN1CCCCCC1 ZINC000581813039 761715037 /nfs/dbraw/zinc/71/50/37/761715037.db2.gz NAVJDTMMKUIRHM-UHFFFAOYSA-N 0 3 308.426 1.330 50 0 DDAAHN COC(=O)C1=C(C)O[C@H](CN2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000221997689 539265218 /nfs/dbraw/zinc/26/52/18/539265218.db2.gz PFFRJPCJPZWPPZ-KGLIPLIRSA-N 0 3 320.393 1.226 50 0 DDAAHN CSCC[C@@H](O)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000095451494 185369092 /nfs/dbraw/zinc/36/90/92/185369092.db2.gz XAXYYTNQMFLECA-HUUCEWRRSA-N 0 3 310.463 1.828 50 0 DDAAHN COc1ccc(NC(=O)NCCN(C)C)cc1OC(F)F ZINC000095460845 185370858 /nfs/dbraw/zinc/37/08/58/185370858.db2.gz XJXBONUHJSQLRJ-UHFFFAOYSA-N 0 3 303.309 1.980 50 0 DDAAHN CC[C@H](C)C(=O)N1CCC(C(=O)NC[C@H]2CCCN2CC)CC1 ZINC000072272948 191095840 /nfs/dbraw/zinc/09/58/40/191095840.db2.gz JKXDVJBASRSYTG-GOEBONIOSA-N 0 3 323.481 1.872 50 0 DDAAHN CC(=O)N1CCN([C@H]2CN(Cc3cccnc3)C[C@H]2C)CC1 ZINC000076055224 353395032 /nfs/dbraw/zinc/39/50/32/353395032.db2.gz GMAZMMNEYLWPEP-PBHICJAKSA-N 0 3 302.422 1.066 50 0 DDAAHN Cc1nc(CN(C)[C@H]2CCN(CCOC[C@@H]3CCCO3)C2)no1 ZINC000078891027 353537849 /nfs/dbraw/zinc/53/78/49/353537849.db2.gz BNTPMARJCZNVGB-GJZGRUSLSA-N 0 3 324.425 1.080 50 0 DDAAHN COc1cc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)sn1 ZINC000399171859 354656815 /nfs/dbraw/zinc/65/68/15/354656815.db2.gz ORQQUCGIEWZZSE-GXSJLCMTSA-N 0 3 304.437 1.597 50 0 DDAAHN Cc1csc(CN[C@@H]2CCC(=O)N(CC(=O)N(C)C)CC2)n1 ZINC000584884712 354788348 /nfs/dbraw/zinc/78/83/48/354788348.db2.gz VYYQOHLJCZTGRI-GFCCVEGCSA-N 0 3 324.450 1.010 50 0 DDAAHN CCS(=O)(=O)NC[C@@H](C)NCCc1nc2ccccc2o1 ZINC000584898650 354798707 /nfs/dbraw/zinc/79/87/07/354798707.db2.gz MWOSTLAUHVGHGH-LLVKDONJSA-N 0 3 311.407 1.288 50 0 DDAAHN COc1cc(C(=O)O[C@@H]2CN3CCC2CC3)cc(OC)c1OC ZINC000005320509 181229023 /nfs/dbraw/zinc/22/90/23/181229023.db2.gz QTZICPYJFRDZEN-OAHLLOKOSA-N 0 3 321.373 1.963 50 0 DDAAHN COc1cc(NC(=O)CCN2CCN(C)CC2)cc(OC)c1 ZINC000019590016 182131815 /nfs/dbraw/zinc/13/18/15/182131815.db2.gz UTKCLLCLVRSGMJ-UHFFFAOYSA-N 0 3 307.394 1.280 50 0 DDAAHN CN1CCN(CCCNC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000022782032 182334213 /nfs/dbraw/zinc/33/42/13/182334213.db2.gz ROPNCPLNAREFIU-VMPITWQZSA-N 0 3 305.397 1.593 50 0 DDAAHN C[C@@H]1CCCCN1CCNC(=O)CCNC(=O)c1ccsc1 ZINC000040534270 183094926 /nfs/dbraw/zinc/09/49/26/183094926.db2.gz BJHISWOXCRTEKE-CYBMUJFWSA-N 0 3 323.462 1.859 50 0 DDAAHN C[C@H](NCC(=O)NC(=O)NCc1ccco1)c1ccccc1 ZINC000057418603 184037824 /nfs/dbraw/zinc/03/78/24/184037824.db2.gz VMANEFWDNPUZHK-LBPRGKRZSA-N 0 3 301.346 1.956 50 0 DDAAHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)C2CC2)C1 ZINC000058171098 184083873 /nfs/dbraw/zinc/08/38/73/184083873.db2.gz ZODXJIOMNKSPLI-CQSZACIVSA-N 0 3 301.390 1.732 50 0 DDAAHN CC(C)CN1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000065604418 184371378 /nfs/dbraw/zinc/37/13/78/184371378.db2.gz WMFYDHZPHGKOBG-MRXNPFEDSA-N 0 3 310.413 1.839 50 0 DDAAHN CC(C)n1ccnc1[C@@H]1CCCN(CC(=O)N2CCNCC2)C1 ZINC000095379104 257271953 /nfs/dbraw/zinc/27/19/53/257271953.db2.gz VQMUCFMEKLLWJQ-OAHLLOKOSA-N 0 3 319.453 1.075 50 0 DDAAHN CN(C)[C@@H]1C[C@@H](CO)N(Cc2cc(F)ccc2-n2cccn2)C1 ZINC000216472215 257273250 /nfs/dbraw/zinc/27/32/50/257273250.db2.gz UNLIWPDZGJILDW-CVEARBPZSA-N 0 3 318.396 1.508 50 0 DDAAHN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1C[C@H](O)CN1 ZINC000358782687 257235800 /nfs/dbraw/zinc/23/58/00/257235800.db2.gz AQVFVNFFIJOGFY-AAEUAGOBSA-N 0 3 321.377 1.534 50 0 DDAAHN CCN(CC)CCNS(=O)(=O)c1cccc2nsnc21 ZINC000002454765 406687560 /nfs/dbraw/zinc/68/75/60/406687560.db2.gz RAPALVVSPBKVIN-UHFFFAOYSA-N 0 3 314.436 1.311 50 0 DDAAHN Cc1nc2n(n1)C[C@@H](NCc1cnn(-c3ccccc3)c1)CC2 ZINC000069778484 406771194 /nfs/dbraw/zinc/77/11/94/406771194.db2.gz WORQSOWAIQLOKB-HNNXBMFYSA-N 0 3 308.389 1.877 50 0 DDAAHN Cc1cc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)ccc1F ZINC000069707698 406759549 /nfs/dbraw/zinc/75/95/49/406759549.db2.gz UXNQCWKFFXWZNA-CYBMUJFWSA-N 0 3 312.410 1.993 50 0 DDAAHN Cc1nnc2n1CCN(C(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC000069510818 406726780 /nfs/dbraw/zinc/72/67/80/406726780.db2.gz HDQVJRHTXNQOQV-HNNXBMFYSA-N 0 3 305.426 1.439 50 0 DDAAHN Cc1cnn([C@@H](C)[C@H](C)NCC(=O)NCc2ccccn2)c1 ZINC000069819702 406779161 /nfs/dbraw/zinc/77/91/61/406779161.db2.gz SUXFTNSGLFXONW-KBPBESRZSA-N 0 3 301.394 1.442 50 0 DDAAHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000011999480 406833278 /nfs/dbraw/zinc/83/32/78/406833278.db2.gz CRGIYKYZQISKTH-LLVKDONJSA-N 0 3 314.407 1.424 50 0 DDAAHN NC(=O)C(=O)NC[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000071278936 406836055 /nfs/dbraw/zinc/83/60/55/406836055.db2.gz JCRRNAPLWAMWJV-YOUVMVQBSA-N 0 3 319.380 1.152 50 0 DDAAHN CC(=O)N1CCC(C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000013321935 406861606 /nfs/dbraw/zinc/86/16/06/406861606.db2.gz LSYHGUILFJTECA-UHFFFAOYSA-N 0 3 321.465 1.722 50 0 DDAAHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2ccncc2)CC1 ZINC000071920294 406867586 /nfs/dbraw/zinc/86/75/86/406867586.db2.gz PXAKAGVVUGXNFA-HNNXBMFYSA-N 0 3 319.453 1.154 50 0 DDAAHN CC(C)(CNc1ccc2nnnn2n1)N1CCc2ccccc2C1 ZINC000026725707 406905646 /nfs/dbraw/zinc/90/56/46/406905646.db2.gz GRMONQMIQSRLQL-UHFFFAOYSA-N 0 3 323.404 1.768 50 0 DDAAHN CCN1CCC[C@@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000075125871 406922913 /nfs/dbraw/zinc/92/29/13/406922913.db2.gz RDOYIKOCNPJNPV-GFCCVEGCSA-N 0 3 315.373 1.849 50 0 DDAAHN NC(=O)[C@@H](NCCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000030007768 406929593 /nfs/dbraw/zinc/92/95/93/406929593.db2.gz GEOKPEGSAZFUFR-KRWDZBQOSA-N 0 3 312.369 1.817 50 0 DDAAHN Cc1cc2c(ncnc2NCCC(=O)NCCN(C)C)s1 ZINC000031868876 406943537 /nfs/dbraw/zinc/94/35/37/406943537.db2.gz WANSUOZRVNPAFC-UHFFFAOYSA-N 0 3 307.423 1.480 50 0 DDAAHN CN(CCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCc2ccccc21 ZINC000045736821 407047956 /nfs/dbraw/zinc/04/79/56/407047956.db2.gz FWCAYZUIVSBRHV-CQSZACIVSA-N 0 3 301.390 1.936 50 0 DDAAHN COCCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1 ZINC000085468020 407102317 /nfs/dbraw/zinc/10/23/17/407102317.db2.gz XLZLRPSCEPXPPH-UHFFFAOYSA-N 0 3 306.406 1.465 50 0 DDAAHN COCCN1CCC(NC(=O)c2ccc3nsnc3c2)CC1 ZINC000085468033 407102988 /nfs/dbraw/zinc/10/29/88/407102988.db2.gz QBLQJHZLDJQWTG-UHFFFAOYSA-N 0 3 320.418 1.532 50 0 DDAAHN Cn1c(CN(CC2CCCCC2)C2CC2)cc(=O)n(C)c1=O ZINC000052245076 407148710 /nfs/dbraw/zinc/14/87/10/407148710.db2.gz LKOPELHQLWPKRO-UHFFFAOYSA-N 0 3 305.422 1.629 50 0 DDAAHN CN(C)CCNC(=O)c1ccc(Cl)cc1N1CCCC1=O ZINC000052538994 407152599 /nfs/dbraw/zinc/15/25/99/407152599.db2.gz BMAPYSKSWYPMRN-UHFFFAOYSA-N 0 3 309.797 1.758 50 0 DDAAHN C[C@H]1CN(C)CCN1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000089938132 407161318 /nfs/dbraw/zinc/16/13/18/407161318.db2.gz CGUTVBGSMXWKPD-STQMWFEESA-N 0 3 310.467 1.696 50 0 DDAAHN NC(=O)[C@H]1CCCN(CCNc2ncnc3cccc(F)c32)C1 ZINC000092028893 407185681 /nfs/dbraw/zinc/18/56/81/407185681.db2.gz PUIAHUOHDZOCKV-NSHDSACASA-N 0 3 317.368 1.378 50 0 DDAAHN CCOCC(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095375578 407211104 /nfs/dbraw/zinc/21/11/04/407211104.db2.gz ACUJWYCRMFHMMU-AWEZNQCLSA-N 0 3 308.426 1.187 50 0 DDAAHN CCCCSc1nc(N)cc(NC[C@H]2CN(C)CCN2C)n1 ZINC000095382244 407212439 /nfs/dbraw/zinc/21/24/39/407212439.db2.gz VMUKAEASJPZPBJ-LBPRGKRZSA-N 0 3 324.498 1.609 50 0 DDAAHN CC1CCN(C[C@@H](O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000058381018 407220933 /nfs/dbraw/zinc/22/09/33/407220933.db2.gz DYHJWGGTSIULJN-KFWWJZLASA-N 0 3 306.406 1.030 50 0 DDAAHN C[C@H]1CCCN(CCCNS(=O)(=O)CC2CCOCC2)C1 ZINC000096427722 407265069 /nfs/dbraw/zinc/26/50/69/407265069.db2.gz UGIYLUSUVSHWLG-AWEZNQCLSA-N 0 3 318.483 1.454 50 0 DDAAHN CC(C)Cc1cc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)n[nH]1 ZINC000096454791 407269155 /nfs/dbraw/zinc/26/91/55/407269155.db2.gz ROPTYWGUPIQTSB-AWEZNQCLSA-N 0 3 320.437 1.403 50 0 DDAAHN O=C(NCC[C@H]1CCCN(Cc2cnc[nH]2)C1)c1ccc[nH]1 ZINC000067789661 407284077 /nfs/dbraw/zinc/28/40/77/407284077.db2.gz OBTTZHHIXZANQG-CYBMUJFWSA-N 0 3 301.394 1.770 50 0 DDAAHN C/C(=C\c1ccco1)CN1CCC2(CC1)C(=O)NCCN2C ZINC000067774079 407284472 /nfs/dbraw/zinc/28/44/72/407284472.db2.gz VLZKMJKGSYMWTC-WYMLVPIESA-N 0 3 303.406 1.579 50 0 DDAAHN CCc1nnc2n1C[C@H](NCc1c[nH]nc1C(C)(C)C)CC2 ZINC000097199522 407286353 /nfs/dbraw/zinc/28/63/53/407286353.db2.gz WYTCDIXKESNDIZ-GFCCVEGCSA-N 0 3 302.426 1.966 50 0 DDAAHN CC(=O)c1cc(C(=O)NC[C@@H]2CCN(C(C)C)C2)c(=O)[nH]c1C ZINC000067895179 407289357 /nfs/dbraw/zinc/28/93/57/407289357.db2.gz ULPAHDPIHKPNEW-ZDUSSCGKSA-N 0 3 319.405 1.346 50 0 DDAAHN O=C(NC[C@@H]1CCCN(Cc2ccccc2F)C1)c1nnc[nH]1 ZINC000067982079 407292697 /nfs/dbraw/zinc/29/26/97/407292697.db2.gz ZHGBOMUAYUBBLR-LBPRGKRZSA-N 0 3 317.368 1.586 50 0 DDAAHN CN1CCC(NC(=O)Nc2cccc(OCC(F)F)n2)CC1 ZINC000097378785 407293329 /nfs/dbraw/zinc/29/33/29/407293329.db2.gz WZZVPOYZECYCTH-UHFFFAOYSA-N 0 3 314.336 1.941 50 0 DDAAHN CSc1ncc(CN2CCCO[C@@H](CN3CCCC3)C2)cn1 ZINC000097528861 407299226 /nfs/dbraw/zinc/29/92/26/407299226.db2.gz STKLYLKXPANTJQ-HNNXBMFYSA-N 0 3 322.478 1.885 50 0 DDAAHN O=c1[nH]c(NC[C@H](O)CN2CCCCC2)nc2ccccc21 ZINC000097995056 407304017 /nfs/dbraw/zinc/30/40/17/407304017.db2.gz IPEGEENQCBRQAN-LBPRGKRZSA-N 0 3 302.378 1.182 50 0 DDAAHN CC[C@H]1CN(CCOc2ccccc2F)CCN1C[C@H](C)O ZINC000106841058 407362578 /nfs/dbraw/zinc/36/25/78/407362578.db2.gz HUNPOZIJRWGYML-GJZGRUSLSA-N 0 3 310.413 1.982 50 0 DDAAHN C[C@H](CN1CCCCC1)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000108456241 407386150 /nfs/dbraw/zinc/38/61/50/407386150.db2.gz ADYZWCOGXLBVTI-ZIAGYGMSSA-N 0 3 303.472 1.427 50 0 DDAAHN CCOc1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)c(OCC)c1C ZINC000215483110 407482369 /nfs/dbraw/zinc/48/23/69/407482369.db2.gz WHPZUIDZRWWYKF-HOTGVXAUSA-N 0 3 322.449 1.899 50 0 DDAAHN COCCn1ccnc1CN1CCC(CN2CCOCC2)CC1 ZINC000215398609 407483215 /nfs/dbraw/zinc/48/32/15/407483215.db2.gz SDHKBKGDBYFCJU-UHFFFAOYSA-N 0 3 322.453 1.074 50 0 DDAAHN CN(CCC(=O)N1CCN(C)CC1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000225773034 407606070 /nfs/dbraw/zinc/60/60/70/407606070.db2.gz YIPUHHQLWBJSQT-UHFFFAOYSA-N 0 3 321.469 1.303 50 0 DDAAHN CN(CCC(=O)N1CCN(C)CC1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000225773034 407606076 /nfs/dbraw/zinc/60/60/76/407606076.db2.gz YIPUHHQLWBJSQT-UHFFFAOYSA-N 0 3 321.469 1.303 50 0 DDAAHN O[C@H](CN1CCC[C@@H](Cn2cncn2)C1)c1ccccc1F ZINC000229477592 407666184 /nfs/dbraw/zinc/66/61/84/407666184.db2.gz AMJMQFPPDSMUAW-CZUORRHYSA-N 0 3 304.369 1.863 50 0 DDAAHN NCc1cc(C(=O)N2CCNC[C@H]2c2cccc(F)c2)ccn1 ZINC000262016985 407711310 /nfs/dbraw/zinc/71/13/10/407711310.db2.gz RIPJGYVCASNXOI-INIZCTEOSA-N 0 3 314.364 1.466 50 0 DDAAHN CC(=O)NCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000229459461 407661615 /nfs/dbraw/zinc/66/16/15/407661615.db2.gz HISKARQYHIUDJD-XJKSGUPXSA-N 0 3 303.406 1.464 50 0 DDAAHN C[C@@H](C(=O)NC1CCCCCC1)N1CCO[C@@H](CN(C)C)C1 ZINC000229536756 407665569 /nfs/dbraw/zinc/66/55/69/407665569.db2.gz SJQGJGCBAHXGCG-HOCLYGCPSA-N 0 3 311.470 1.476 50 0 DDAAHN CC1(C)CC[C@H](NCCN2C(=O)CNC2=O)c2ccccc21 ZINC000239667693 407904018 /nfs/dbraw/zinc/90/40/18/407904018.db2.gz BRLLIFWPTIRTSO-AWEZNQCLSA-N 0 3 301.390 1.941 50 0 DDAAHN COc1ccc(C)cc1NC(=O)CCN(C)C[C@H]1COCCO1 ZINC000244601927 407927175 /nfs/dbraw/zinc/92/71/75/407927175.db2.gz DUOVPCGERVQOMS-AWEZNQCLSA-N 0 3 322.405 1.679 50 0 DDAAHN 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WBBAXTMEBSOJFH-UHFFFAOYSA-N 0 3 309.410 1.434 50 0 DDAAHN C[C@H](SCCN(C)C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000157770761 408314975 /nfs/dbraw/zinc/31/49/75/408314975.db2.gz YOFMUKLVGGBMGW-NSHDSACASA-N 0 3 307.419 1.655 50 0 DDAAHN C[C@@H]1OCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H]1C ZINC000158949039 408374134 /nfs/dbraw/zinc/37/41/34/408374134.db2.gz KIKZHRACJSFHQR-ZOBUZTSGSA-N 0 3 319.449 1.515 50 0 DDAAHN N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000169676902 408820086 /nfs/dbraw/zinc/82/00/86/408820086.db2.gz OZYCLHNIDOOQBJ-MRXNPFEDSA-N 0 3 310.401 1.300 50 0 DDAAHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnc(OC)n1 ZINC000276573997 408885725 /nfs/dbraw/zinc/88/57/25/408885725.db2.gz SIKMYFHUUUUMQF-NEPJUHHUSA-N 0 3 305.382 1.576 50 0 DDAAHN CCS(=O)(=O)C(C)C(=O)NCc1cn2c(C)csc2n1 ZINC000299762965 410612057 /nfs/dbraw/zinc/61/20/57/410612057.db2.gz FFKAOPJCHBKUPW-VIFPVBQESA-N 0 3 315.420 1.144 50 0 DDAAHN Cc1nn[nH]c1C(=O)NCCN1CC[C@@H](c2ccccc2C)C1 ZINC000299777398 410621671 /nfs/dbraw/zinc/62/16/71/410621671.db2.gz MULYSFYIUAEVOE-CQSZACIVSA-N 0 3 313.405 1.641 50 0 DDAAHN Cc1ncc2c(c1CNC(=O)Cc1cccs1)CCNC2 ZINC000299780427 410625347 /nfs/dbraw/zinc/62/53/47/410625347.db2.gz AMLNEJODVUJIBF-UHFFFAOYSA-N 0 3 301.415 1.956 50 0 DDAAHN C[C@H](CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O)N1CCOC[C@@H]1C ZINC000110706455 298781511 /nfs/dbraw/zinc/78/15/11/298781511.db2.gz DOUKKRWAPAYENX-BARDWOONSA-N 0 3 318.483 1.041 50 0 DDAAHN COc1cccc(COCC(=O)NC[C@@H](C)N2CCCC2)c1 ZINC000046781393 418449355 /nfs/dbraw/zinc/44/93/55/418449355.db2.gz XPTVIYSDNYRAGK-CQSZACIVSA-N 0 3 306.406 1.812 50 0 DDAAHN O=C(c1cc(-c2cccs2)[nH]n1)N1CCNC[C@H]1C(F)F ZINC000367995389 418671486 /nfs/dbraw/zinc/67/14/86/418671486.db2.gz ZRVHDKLNEIIFFN-JTQLQIEISA-N 0 3 312.345 1.817 50 0 DDAAHN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCNC[C@H]1C(F)F ZINC000367994884 418671507 /nfs/dbraw/zinc/67/15/07/418671507.db2.gz WBBUQDFUZMAKMX-ZDUSSCGKSA-N 0 3 324.306 1.895 50 0 DDAAHN CN(CCc1ccccc1)C(=O)NCCN1CCC[C@H](CO)C1 ZINC000426739026 419543347 /nfs/dbraw/zinc/54/33/47/419543347.db2.gz JJZPTFVWIGJZAA-KRWDZBQOSA-N 0 3 319.449 1.575 50 0 DDAAHN C[C@@H](NC(=O)CNC1CC1)c1cnn(-c2ccccc2F)c1 ZINC000426506674 228580313 /nfs/dbraw/zinc/58/03/13/228580313.db2.gz NIUNUURZZCZJRE-LLVKDONJSA-N 0 3 302.353 1.941 50 0 DDAAHN C[C@H]1CN(C(=O)NCCN(C)CCc2ccccc2)CCCO1 ZINC000426596662 419512162 /nfs/dbraw/zinc/51/21/62/419512162.db2.gz VTVGCFIYDVNBMN-INIZCTEOSA-N 0 3 319.449 1.981 50 0 DDAAHN CNCC(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1 ZINC000573652844 421997672 /nfs/dbraw/zinc/99/76/72/421997672.db2.gz JJTSUNVNGOZEOE-UHFFFAOYSA-N 0 3 320.368 1.958 50 0 DDAAHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@@H](O)C1 ZINC000585122060 422307485 /nfs/dbraw/zinc/30/74/85/422307485.db2.gz LWCSQRKHOATNBC-OIISXLGYSA-N 0 3 302.418 1.880 50 0 DDAAHN CC(=O)C1[C@H](c2sccc2C)NC(=O)N[C@]1(O)C(F)(F)F ZINC000102829294 278232955 /nfs/dbraw/zinc/23/29/55/278232955.db2.gz HFTMWFJZNYYHAM-SOCHQFKDSA-N 0 3 322.308 1.867 50 0 DDAAHN CC(C)C[C@H](N)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000003881760 279176810 /nfs/dbraw/zinc/17/68/10/279176810.db2.gz LLGXVYIDBJEJNB-RDBSUJKOSA-N 0 3 303.406 1.167 50 0 biogenic DDAAHN Cc1nn(C)c2nc(N(CCN(C)C)C[C@@H]3CCCO3)sc12 ZINC000095501382 279207974 /nfs/dbraw/zinc/20/79/74/279207974.db2.gz JUYGPGSEMNEMDV-LBPRGKRZSA-N 0 3 323.466 1.885 50 0 DDAAHN Cc1c(-c2ccc([C@@H](C)N(C)C)cc2)c(=O)n(C)c(=O)n1C ZINC000426700064 280195474 /nfs/dbraw/zinc/19/54/74/280195474.db2.gz PGEBDAOYNAMIOA-LLVKDONJSA-N 0 3 301.390 1.682 50 0 DDAAHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)N(C)C1CCCCC1 ZINC000072282353 288306245 /nfs/dbraw/zinc/30/62/45/288306245.db2.gz JADBJDPIYYCYFL-UKRRQHHQSA-N 0 3 315.483 1.664 50 0 DDAAHN Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]C2)c(Cl)cc1F ZINC000237790771 301399068 /nfs/dbraw/zinc/39/90/68/301399068.db2.gz HYBJTEUBRHQOEB-SECBINFHSA-N 0 3 306.790 1.818 50 0 DDAAHN C(c1noc(C2CCCC2)n1)N1CCC2(CC1)CNCCO2 ZINC000534663397 334323049 /nfs/dbraw/zinc/32/30/49/334323049.db2.gz 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/nfs/dbraw/zinc/52/30/63/737523063.db2.gz BBDDUBDZWXFHAW-UHFFFAOYSA-N 0 3 318.421 1.502 50 0 DDAAHN C[C@@H]1CN(c2ccccc2CN[C@@H]2CC(=O)N(C)C2)C[C@H](C)O1 ZINC000088698046 185262386 /nfs/dbraw/zinc/26/23/86/185262386.db2.gz BVYWWZGMHCGPBE-IJEWVQPXSA-N 0 3 317.433 1.621 50 0 DDAAHN CCc1ncnc(N2CCC(CN3CCN(C)CC3)CC2)c1F ZINC000301961842 529761854 /nfs/dbraw/zinc/76/18/54/529761854.db2.gz IGMCNTPVEPNCPY-UHFFFAOYSA-N 0 3 321.444 1.642 50 0 DDAAHN O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccn2cncc2c1 ZINC000095446918 185367879 /nfs/dbraw/zinc/36/78/79/185367879.db2.gz GJKMBAKKZPYBFM-ZBFHGGJFSA-N 0 3 314.389 1.317 50 0 DDAAHN CN1CC[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCCO4)[C@@H]2C1 ZINC000095466166 185371831 /nfs/dbraw/zinc/37/18/31/185371831.db2.gz YPZUEGDYKGHXRO-LSDHHAIUSA-N 0 3 316.401 1.553 50 0 DDAAHN C[C@H](NC(=O)CC1CCCCC1)C(=O)NCCN1CCCC1 ZINC000069902572 190837208 /nfs/dbraw/zinc/83/72/08/190837208.db2.gz XPCYCOCTIYWUMT-AWEZNQCLSA-N 0 3 309.454 1.674 50 0 DDAAHN CC(C)[C@H](C(=O)N1CCC[C@H](n2cncn2)C1)N1CCCCC1 ZINC000072234950 191080679 /nfs/dbraw/zinc/08/06/79/191080679.db2.gz IZQNEIFMJZMFQN-JKSUJKDBSA-N 0 3 319.453 1.952 50 0 DDAAHN CCN1CCO[C@@H](C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000072859656 191242346 /nfs/dbraw/zinc/24/23/46/191242346.db2.gz UNZFVKGIMXUMQU-MRXNPFEDSA-N 0 3 305.422 1.085 50 0 DDAAHN CC(C)[C@H](C(=O)N[C@H]1CCc2nccn2C1)N1CCCCC1 ZINC000072273713 353195600 /nfs/dbraw/zinc/19/56/00/353195600.db2.gz RUQBTRQUVJVNLH-GOEBONIOSA-N 0 3 304.438 1.825 50 0 DDAAHN C[C@@H]1C[C@@H](C)CN(CCNS(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000110683390 353962289 /nfs/dbraw/zinc/96/22/89/353962289.db2.gz VMCMEQGYJKOSQY-RBSFLKMASA-N 0 3 318.483 1.453 50 0 DDAAHN O=c1c2ncccc2ncn1C1CCN(C[C@H]2CCCO2)CC1 ZINC000584885655 354789713 /nfs/dbraw/zinc/78/97/13/354789713.db2.gz NAIAHBYOAGCIRJ-CQSZACIVSA-N 0 3 314.389 1.607 50 0 DDAAHN C[C@H](C(=O)NCc1cnc2cnccn12)N1CCCCCC1 ZINC000584892669 354794581 /nfs/dbraw/zinc/79/45/81/354794581.db2.gz SUKHYAZDQJGKDD-CYBMUJFWSA-N 0 3 301.394 1.610 50 0 DDAAHN CC[C@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000236927526 202074979 /nfs/dbraw/zinc/07/49/79/202074979.db2.gz ZNSDDMMSAKRNOF-NHYWBVRUSA-N 0 3 323.412 1.701 50 0 DDAAHN N[C@@H](C(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1 ZINC000237795494 202356726 /nfs/dbraw/zinc/35/67/26/202356726.db2.gz MUKXUQKJLPVIAG-QGZVFWFLSA-N 0 3 317.433 1.257 50 0 DDAAHN O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCCNCC1 ZINC000237908203 202388033 /nfs/dbraw/zinc/38/80/33/202388033.db2.gz IDOFQYQFQQRJBZ-GFCCVEGCSA-N 0 3 321.808 1.515 50 0 DDAAHN CCC[C@H]1CN(C(=O)c2c[n-]c3ccc(F)cc3c2=O)C[C@@H]1[NH3+] ZINC000091643827 193083512 /nfs/dbraw/zinc/08/35/12/193083512.db2.gz RDQYIFFROWRJQV-HZMBPMFUSA-N 0 3 317.364 1.867 50 0 DDAAHN COc1ccc2c(C)c(C(=O)N[C@@H]3CNCC[C@H]3O)oc2c1 ZINC000091643299 193083962 /nfs/dbraw/zinc/08/39/62/193083962.db2.gz QAHLFBDEHKOUJD-CHWSQXEVSA-N 0 3 304.346 1.202 50 0 DDAAHN NCC(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000091643905 193084101 /nfs/dbraw/zinc/08/41/01/193084101.db2.gz SRDRNBXSCOVJRK-CYBMUJFWSA-N 0 3 306.316 1.603 50 0 DDAAHN CCc1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)cn1 ZINC000091663989 193086459 /nfs/dbraw/zinc/08/64/59/193086459.db2.gz LPKRVXNZIJIJLU-GDBMZVCRSA-N 0 3 314.433 1.985 50 0 DDAAHN COc1cc(NC(=O)NCCN2CCCC[C@@H]2CO)ccc1C ZINC000096137656 193548788 /nfs/dbraw/zinc/54/87/88/193548788.db2.gz CSCVSXYVKUUBCN-OAHLLOKOSA-N 0 3 321.421 1.972 50 0 DDAAHN CCN1CCN(C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)CC1 ZINC000020325055 182207794 /nfs/dbraw/zinc/20/77/94/182207794.db2.gz UVTDWNRHBIIFSK-KRWDZBQOSA-N 0 3 311.470 1.024 50 0 DDAAHN CN1CCN(CCCNc2c(N)c(=O)oc3ccccc32)CC1 ZINC000022454555 182322513 /nfs/dbraw/zinc/32/25/13/182322513.db2.gz FHIANDZMNLEBBO-UHFFFAOYSA-N 0 3 316.405 1.425 50 0 DDAAHN NCc1cn(C2CCN(C(=O)NCC3CCCCC3)CC2)nn1 ZINC000023478928 182361430 /nfs/dbraw/zinc/36/14/30/182361430.db2.gz FFFJYNDLFREFEH-UHFFFAOYSA-N 0 3 320.441 1.664 50 0 DDAAHN COc1ccc(CCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000106166563 194188664 /nfs/dbraw/zinc/18/86/64/194188664.db2.gz DOLPIXUUNDBJAL-RDJZCZTQSA-N 0 3 318.417 1.607 50 0 DDAAHN C[C@H](C(=O)NCC1CCCCC1)N1CCO[C@@H](CN(C)C)C1 ZINC000106787302 194253111 /nfs/dbraw/zinc/25/31/11/194253111.db2.gz KNKXESBZFYPCNI-ZBFHGGJFSA-N 0 3 311.470 1.334 50 0 DDAAHN O=C(CNC(=O)NC1CCN(C2CC2)CC1)Nc1ccccc1 ZINC000056382342 184012146 /nfs/dbraw/zinc/01/21/46/184012146.db2.gz LZBMBPPNMGSRJY-UHFFFAOYSA-N 0 3 316.405 1.551 50 0 DDAAHN CC(=O)Nc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)ccc1F ZINC000058363550 184108694 /nfs/dbraw/zinc/10/86/94/184108694.db2.gz GOWMYRYYWPGONI-LBPRGKRZSA-N 0 3 305.353 1.751 50 0 DDAAHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc2ccccc2n1 ZINC000058289578 184100356 /nfs/dbraw/zinc/10/03/56/184100356.db2.gz IBAGSNMZCBOEIU-HUUCEWRRSA-N 0 3 311.385 1.828 50 0 DDAAHN c1cc2n(n1)C[C@H](CNCc1ccc(OCC3CC3)nc1)CN2 ZINC000058299840 184102922 /nfs/dbraw/zinc/10/29/22/184102922.db2.gz KAWCWHGGKIMXLX-OAHLLOKOSA-N 0 3 313.405 1.898 50 0 DDAAHN CN(CCNC(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CC1 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ZINC000004745252 406728606 /nfs/dbraw/zinc/72/86/06/406728606.db2.gz OLWRDQRYQVXBAR-UHFFFAOYSA-N 0 3 315.373 1.830 50 0 DDAAHN CS(=O)(=O)c1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000069972383 406799244 /nfs/dbraw/zinc/79/92/44/406799244.db2.gz QCSNOUYDRDFPFU-OAHLLOKOSA-N 0 3 324.446 1.043 50 0 DDAAHN Cc1ccoc1C(=O)N[C@H]1CCCN(C2CCN(C)CC2)C1 ZINC000011944642 406834713 /nfs/dbraw/zinc/83/47/13/406834713.db2.gz ILFDCPKZBDJMOJ-AWEZNQCLSA-N 0 3 305.422 1.876 50 0 DDAAHN C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nncn2CC1 ZINC000012510841 406846738 /nfs/dbraw/zinc/84/67/38/406846738.db2.gz YLNYHVNSAKOLCM-CYBMUJFWSA-N 0 3 314.389 1.744 50 0 DDAAHN Cc1cnn(C[C@H]2CCCCN2C(=O)C(C)S(C)(=O)=O)c1 ZINC000071865907 406854871 /nfs/dbraw/zinc/85/48/71/406854871.db2.gz XNOLCQPDUVDIJS-QWHCGFSZSA-N 0 3 313.423 1.006 50 0 DDAAHN OCCN1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000019226823 406885452 /nfs/dbraw/zinc/88/54/52/406885452.db2.gz DBXGLMSEKASPCD-QGZVFWFLSA-N 0 3 323.868 1.919 50 0 DDAAHN 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