smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)[C@@H]1CCCN(C(=O)NC[C@@H]2COC3(CCCCC3)O2)C1 ZINC000180860368 282183797 /nfs/dbraw/zinc/18/37/97/282183797.db2.gz JBLCBLMKQKHJHO-HUUCEWRRSA-N 0 3 325.453 1.798 50 0 EDAAHN CN(C)CCn1ccc(NC(=O)C2CCN(c3cnccn3)CC2)n1 ZINC000102247592 219191784 /nfs/dbraw/zinc/19/17/84/219191784.db2.gz SXRROSRPKQWCKI-UHFFFAOYSA-N 0 3 343.435 1.090 50 0 EDAAHN CCNC(=O)[C@@]12CN(Cc3nc4ccccc4o3)C[C@@H]1COCC2 ZINC000685940917 539578284 /nfs/dbraw/zinc/57/82/84/539578284.db2.gz ZYMWDFOFJJDYTD-ACJLOTCBSA-N 0 3 329.400 1.802 50 0 EDAAHN Cc1noc([C@]23CN(Cc4nc(C)c(C)[nH]4)C[C@H]2CN(C)CC3)n1 ZINC000685940860 539578635 /nfs/dbraw/zinc/57/86/35/539578635.db2.gz XQJAZRPNGZBUOP-RHSMWYFYSA-N 0 3 330.436 1.423 50 0 EDAAHN OCC[C@@H]1CN(CCCn2cccn2)CCN1Cc1ccccc1F ZINC000020601595 202050592 /nfs/dbraw/zinc/05/05/92/202050592.db2.gz AZBOOEUTSOHFIS-GOSISDBHSA-N 0 3 346.450 1.981 50 0 EDAAHN CN1N=C(C(=O)NCCCN2CCc3ccccc3C2)CCC1=O ZINC000029840669 202190809 /nfs/dbraw/zinc/19/08/09/202190809.db2.gz FDWIPFDMPWCNJV-UHFFFAOYSA-N 0 3 328.416 1.159 50 0 EDAAHN CN(C)C[C@@H]1CN(C[C@H](O)c2ccc(OC(F)(F)F)cc2)CCO1 ZINC000069706161 202290888 /nfs/dbraw/zinc/29/08/88/202290888.db2.gz MTIVXJUMKIYNNS-CABCVRRESA-N 0 3 348.365 1.881 50 0 EDAAHN Cc1cc(C)n(C[C@H]2CCCCN2CCCS(=O)(=O)N(C)C)n1 ZINC000069901031 202296867 /nfs/dbraw/zinc/29/68/67/202296867.db2.gz SLLPRSBUVXHKKB-MRXNPFEDSA-N 0 3 342.509 1.636 50 0 EDAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000069897220 202296928 /nfs/dbraw/zinc/29/69/28/202296928.db2.gz DMZMESXZSXERBS-SJORKVTESA-N 0 3 340.427 1.482 50 0 EDAAHN Cc1nccn1CCCNC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069929126 202299046 /nfs/dbraw/zinc/29/90/46/202299046.db2.gz MLZYIQDNYHZJNL-QGZVFWFLSA-N 0 3 349.479 1.335 50 0 EDAAHN O[C@H](COc1ccc(F)cc1)CN1CCCC[C@@H]1Cn1cncn1 ZINC000071876296 202351539 /nfs/dbraw/zinc/35/15/39/202351539.db2.gz GVMYEGUCTUAROH-CVEARBPZSA-N 0 3 334.395 1.712 50 0 EDAAHN CC(C)c1nc([C@@H]2CCCN(C(=O)C(C)S(C)(=O)=O)C2)no1 ZINC000072232120 202366940 /nfs/dbraw/zinc/36/69/40/202366940.db2.gz QMNNIOUESFASOS-GHMZBOCLSA-N 0 3 329.422 1.332 50 0 EDAAHN CN(Cc1cccc(C(N)=O)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000072276668 202360441 /nfs/dbraw/zinc/36/04/41/202360441.db2.gz JXAYBSSVOYVESY-INIZCTEOSA-N 0 3 325.416 1.676 50 0 EDAAHN CN1CCO[C@@H](CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000075128312 202375679 /nfs/dbraw/zinc/37/56/79/202375679.db2.gz ZEXZWPZAJZWAEV-HNNXBMFYSA-N 0 3 344.415 1.268 50 0 EDAAHN C[C@@H]1CN(C2CCN(C(=O)CCc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000072431459 216223313 /nfs/dbraw/zinc/22/33/13/216223313.db2.gz NIYRHPYCRILYLZ-GASCZTMLSA-N 0 3 334.464 1.453 50 0 EDAAHN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCN(C2CC2)C1 ZINC000057553537 201140212 /nfs/dbraw/zinc/14/02/12/201140212.db2.gz PBNRPWSXWNPDFT-CYBMUJFWSA-N 0 3 340.427 1.599 50 0 EDAAHN CN1C[C@]2(C)CN(C(=O)c3c[nH]c4ccccc34)C[C@](C)(C1)[C@H]2O ZINC000252448852 201184259 /nfs/dbraw/zinc/18/42/59/201184259.db2.gz ZWXXWQXGNIKCTR-REPLKXPHSA-N 0 3 327.428 1.943 50 0 EDAAHN C[C@@H](C(=O)NCCc1ccccc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000069926438 201166646 /nfs/dbraw/zinc/16/66/46/201166646.db2.gz ATMORZMTFGEGMM-WMZOPIPTSA-N 0 3 341.459 1.738 50 0 EDAAHN CCc1nnc2n1C[C@@H](NCc1ccc(S(C)(=O)=O)cc1)CC2 ZINC000097199557 201381992 /nfs/dbraw/zinc/38/19/92/201381992.db2.gz DSSSSAADHCOLCP-ZDUSSCGKSA-N 0 3 334.445 1.349 50 0 EDAAHN C[C@@H](C(=O)N1CCC(N2CCCC2=O)CC1)[C@@H](N)c1ccccc1 ZINC000156205354 201398545 /nfs/dbraw/zinc/39/85/45/201398545.db2.gz ZYPMLBHDXKZBFR-RDTXWAMCSA-N 0 3 329.444 1.936 50 0 EDAAHN C[C@H](C(=O)N1CCC(N2CCCC2=O)CC1)[C@@H](N)c1ccccc1 ZINC000156205232 201398890 /nfs/dbraw/zinc/39/88/90/201398890.db2.gz ZYPMLBHDXKZBFR-KBXCAEBGSA-N 0 3 329.444 1.936 50 0 EDAAHN CN(Cc1ccccc1OCCN1CCN(C)CC1)C1CCOCC1 ZINC000215254948 241114947 /nfs/dbraw/zinc/11/49/47/241114947.db2.gz GMUPFJVHACEJMG-UHFFFAOYSA-N 0 3 347.503 1.924 50 0 EDAAHN O=C(C[C@@H]1CNCCO1)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000216116365 241166380 /nfs/dbraw/zinc/16/63/80/241166380.db2.gz ZJJPXJIHGUWVJL-MRXNPFEDSA-N 0 3 346.431 1.178 50 0 EDAAHN CN1CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1(C)C ZINC000216310596 241180277 /nfs/dbraw/zinc/18/02/77/241180277.db2.gz HCBFMASCWFTPCY-UHFFFAOYSA-N 0 3 347.503 1.924 50 0 EDAAHN CN(C)C[C@@H](O)c1cc2n(n1)CCCN(CCCc1ccco1)C2 ZINC000219226449 241369031 /nfs/dbraw/zinc/36/90/31/241369031.db2.gz BQFUAVTXXYMSDY-GOSISDBHSA-N 0 3 332.448 1.910 50 0 EDAAHN CCN1CCN([C@@H](C)CNC(=O)NCc2csc(C)n2)CC1 ZINC000065440565 202849389 /nfs/dbraw/zinc/84/93/89/202849389.db2.gz MBDXBGJQIKBEHJ-LBPRGKRZSA-N 0 3 325.482 1.277 50 0 EDAAHN CCN(CC)Cc1cnc2c(C(=O)N3CC[C@@H](COC)C3)cnn2c1 ZINC000067921749 202947162 /nfs/dbraw/zinc/94/71/62/202947162.db2.gz MMONTBCIYNXCGW-CQSZACIVSA-N 0 3 345.447 1.680 50 0 EDAAHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc(F)cc(F)c1 ZINC000069485142 203006844 /nfs/dbraw/zinc/00/68/44/203006844.db2.gz BTGJKDWOCQGGAM-HNNXBMFYSA-N 0 3 339.386 1.637 50 0 EDAAHN C[C@H](NC(=O)NC1CCN(CCc2ccncc2)CC1)[C@@H]1CCCO1 ZINC000069700785 203038544 /nfs/dbraw/zinc/03/85/44/203038544.db2.gz IISHIWGTJNMEEX-YJBOKZPZSA-N 0 3 346.475 1.955 50 0 EDAAHN Cc1cnn(C[C@@H](C)N[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000069742484 203044295 /nfs/dbraw/zinc/04/42/95/203044295.db2.gz PPDGYSIVZRUHMG-MNOVXSKESA-N 0 3 335.433 1.357 50 0 EDAAHN Cc1[nH]nc(C(=O)N2CCN(CC(C)(C)O)CC2)c1Br ZINC000069951095 203065692 /nfs/dbraw/zinc/06/56/92/203065692.db2.gz WNYSCSFQWKMNJN-UHFFFAOYSA-N 0 3 345.241 1.009 50 0 EDAAHN CCCC(=O)NCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000071185648 203087901 /nfs/dbraw/zinc/08/79/01/203087901.db2.gz GFFPPCFAMJCORT-QGZVFWFLSA-N 0 3 331.460 1.931 50 0 EDAAHN CCN(C)S(=O)(=O)NC[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC000071315475 203090820 /nfs/dbraw/zinc/09/08/20/203090820.db2.gz AQKFJDJBWBVKIE-KRWDZBQOSA-N 0 3 339.505 1.911 50 0 EDAAHN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@H]3CCCN3C)c(C)c12 ZINC000071830038 203121958 /nfs/dbraw/zinc/12/19/58/203121958.db2.gz YVRGYGHSKHREKL-CYBMUJFWSA-N 0 3 345.447 1.021 50 0 EDAAHN C[C@@H](NCCn1cccn1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000071879233 203134793 /nfs/dbraw/zinc/13/47/93/203134793.db2.gz JJOXJFBGJPWPLN-QGZVFWFLSA-N 0 3 341.459 1.206 50 0 EDAAHN CN(CCN1CCCC1)C(=O)[C@H]1CCCCN1Cc1ccncc1 ZINC000071883697 203137479 /nfs/dbraw/zinc/13/74/79/203137479.db2.gz XJRHEDWNBPTBMT-GOSISDBHSA-N 0 3 330.476 1.990 50 0 EDAAHN CCOC(=O)CCCS(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000071893102 203138968 /nfs/dbraw/zinc/13/89/68/203138968.db2.gz YDWBJXKRSUJEDJ-CQSZACIVSA-N 0 3 332.466 1.220 50 0 EDAAHN CCc1nn(C)c(Cl)c1CN1CC2(C[C@@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072158188 203175742 /nfs/dbraw/zinc/17/57/42/203175742.db2.gz AGQNLTVQJSLTRP-CYBMUJFWSA-N 0 3 340.855 1.665 50 0 EDAAHN Cc1ncnc(N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)c1C ZINC000072462990 203227707 /nfs/dbraw/zinc/22/77/07/203227707.db2.gz BLMTWWYBLFHXMJ-LJQANCHMSA-N 0 3 345.491 1.864 50 0 EDAAHN O=C(CCc1cc2n(n1)CCCNC2)Nc1ccc2c(c1)OCCO2 ZINC000072475304 203230935 /nfs/dbraw/zinc/23/09/35/203230935.db2.gz CLDOMRWJKRXFRK-UHFFFAOYSA-N 0 3 342.399 1.719 50 0 EDAAHN CN1C[C@@]2(CCN(C3CCN(C(=O)c4ccccn4)CC3)C2)OC1=O ZINC000072473917 203231144 /nfs/dbraw/zinc/23/11/44/203231144.db2.gz UPNHKPABTSVSFL-GOSISDBHSA-N 0 3 344.415 1.213 50 0 EDAAHN Cc1cc(N2CCN(C[C@H](O)c3ccccc3)[C@H](C)C2)nc(N)n1 ZINC000075128539 203304942 /nfs/dbraw/zinc/30/49/42/203304942.db2.gz XFGUHVIWXZXSOU-ZBFHGGJFSA-N 0 3 327.432 1.611 50 0 EDAAHN CCN1CCN(CCNC(=O)CCc2ccc3ccn(C)c3c2)CC1 ZINC000075550771 203318432 /nfs/dbraw/zinc/31/84/32/203318432.db2.gz YYXYVPWTZLWBRB-UHFFFAOYSA-N 0 3 342.487 1.865 50 0 EDAAHN CCS(=O)(=O)NCCN1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000076089722 203337926 /nfs/dbraw/zinc/33/79/26/203337926.db2.gz SCUFFYAIZAZYEK-INIZCTEOSA-N 0 3 339.505 1.522 50 0 EDAAHN CN1CC[C@H]2CN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C[C@H]21 ZINC000077376559 203383437 /nfs/dbraw/zinc/38/34/37/203383437.db2.gz CZVXYXRKHKPPKK-SMDDNHRTSA-N 0 3 336.819 1.816 50 0 EDAAHN Cn1cc([C@@]2(C)CN(C(=O)C[C@@H](N)c3ccccc3)CCO2)cn1 ZINC000237709696 139058433 /nfs/dbraw/zinc/05/84/33/139058433.db2.gz ONVHZIGSPVAXRC-SJLPKXTDSA-N 0 3 328.416 1.584 50 0 EDAAHN COc1cc(CN2CCN(C(C)C)[C@H](CCO)C2)cc2c1OCO2 ZINC000104335438 206490434 /nfs/dbraw/zinc/49/04/34/206490434.db2.gz WCOCHNMHQUDNBQ-OAHLLOKOSA-N 0 3 336.432 1.701 50 0 EDAAHN O=C(c1cccc(CN2CCCCC2)c1)N1CCn2cnnc2C1 ZINC000408521087 250301785 /nfs/dbraw/zinc/30/17/85/250301785.db2.gz HWOGONFJLZMQEY-UHFFFAOYSA-N 0 3 325.416 1.920 50 0 EDAAHN Cc1cc(OCC(=O)N[C@H](C)C(=O)N2CCCCC2)c(C)c(C)n1 ZINC000408525242 250302627 /nfs/dbraw/zinc/30/26/27/250302627.db2.gz QNNNEHRAXFEBFW-OAHLLOKOSA-N 0 3 333.432 1.903 50 0 EDAAHN Cc1cc(OCC(=O)N[C@@H](C)C(=O)N2CCCCC2)c(C)c(C)n1 ZINC000408525241 250303627 /nfs/dbraw/zinc/30/36/27/250303627.db2.gz QNNNEHRAXFEBFW-HNNXBMFYSA-N 0 3 333.432 1.903 50 0 EDAAHN CN(Cc1ccc2c(c1)OCO2)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176624864 207244118 /nfs/dbraw/zinc/24/41/18/207244118.db2.gz ZTOLKLSVXSVWKQ-AWEZNQCLSA-N 0 3 340.445 1.519 50 0 EDAAHN O[C@@H](Cn1cccn1)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000051560298 285308333 /nfs/dbraw/zinc/30/83/33/285308333.db2.gz KGQLNGLZCPAONP-HZPDHXFCSA-N 0 3 329.400 1.852 50 0 EDAAHN COC(=O)c1c(OCc2ccccc2)cc(=O)n2c1CCNCC2 ZINC000299800747 258104283 /nfs/dbraw/zinc/10/42/83/258104283.db2.gz VPNJULAIURWCBT-UHFFFAOYSA-N 0 3 328.368 1.360 50 0 EDAAHN CNC(=O)[C@@H]1CN(C(=O)CN(C)C2CCCCC2)c2ccccc2O1 ZINC000010035419 277245107 /nfs/dbraw/zinc/24/51/07/277245107.db2.gz XUXXDHBEMZPWKX-KRWDZBQOSA-N 0 3 345.443 1.791 50 0 EDAAHN O=S1(=O)CCC[C@@H](NC[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000095984907 304788843 /nfs/dbraw/zinc/78/88/43/304788843.db2.gz IFQZEATXSSMZBF-SJORKVTESA-N 0 3 338.473 1.227 50 0 EDAAHN O=C(Nc1ccccc1O)C1CCN(C[C@H](O)CC2(O)CCC2)CC1 ZINC000527589806 305853549 /nfs/dbraw/zinc/85/35/49/305853549.db2.gz JSTJJIWBGHXHLK-OAHLLOKOSA-N 0 3 348.443 1.709 50 0 EDAAHN CCN1CCC(NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)CC1 ZINC000069949023 441094811 /nfs/dbraw/zinc/09/48/11/441094811.db2.gz PKLPJBCNTUYCDH-OAHLLOKOSA-N 0 3 334.468 1.705 50 0 EDAAHN C[S@@](=O)c1ccc(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000080146231 441145475 /nfs/dbraw/zinc/14/54/75/441145475.db2.gz WCPBKAHCROZZRE-CMJOXMDJSA-N 0 3 335.473 1.708 50 0 EDAAHN Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCC[C@H]1[C@@H]1CCCN1C ZINC000071875037 441178925 /nfs/dbraw/zinc/17/89/25/441178925.db2.gz IHOXSUAGIRKKQN-RYUDHWBXSA-N 0 3 346.460 1.935 50 0 EDAAHN O=C(C1CC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058344105 441184003 /nfs/dbraw/zinc/18/40/03/441184003.db2.gz XSVPZSXGTHHXTR-INIZCTEOSA-N 0 3 328.460 1.852 50 0 EDAAHN CCCS(=O)(=O)C(C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000058344070 441184149 /nfs/dbraw/zinc/18/41/49/441184149.db2.gz GTAKQKPOAGFZCJ-UONOGXRCSA-N 0 3 344.477 1.992 50 0 EDAAHN COCCN1C(=O)N(C(C)C)C(=O)C12CCN([C@@H](C)COC)CC2 ZINC000014533916 441185142 /nfs/dbraw/zinc/18/51/42/441185142.db2.gz GNXVJEWUMJUUHX-AWEZNQCLSA-N 0 3 341.452 1.175 50 0 EDAAHN COCCN1C(=O)N(CCc2ccccc2)C2(CCN(C)CC2)C1=O ZINC000014532117 441185242 /nfs/dbraw/zinc/18/52/42/441185242.db2.gz HPIYUAHMNYCQMM-UHFFFAOYSA-N 0 3 345.443 1.604 50 0 EDAAHN CCc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000058392347 441189198 /nfs/dbraw/zinc/18/91/98/441189198.db2.gz KRAAWMIOGISXSO-KRWDZBQOSA-N 0 3 329.444 1.803 50 0 EDAAHN C[C@@H]1CCCCN1CCNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000013131530 441154066 /nfs/dbraw/zinc/15/40/66/441154066.db2.gz FKSRXOUJSKNUNR-CJNGLKHVSA-N 0 3 331.416 1.767 50 0 aggregator EDAAHN CCNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058208622 441159531 /nfs/dbraw/zinc/15/95/31/441159531.db2.gz TUUPULILTFDEJH-INIZCTEOSA-N 0 3 331.464 1.645 50 0 EDAAHN CC(C)C[C@@H]1NC(=O)N(C[C@H](O)CN(C)Cc2ccccc2)C1=O ZINC000058402307 441191283 /nfs/dbraw/zinc/19/12/83/441191283.db2.gz FZTMKPPQMRXDLX-CVEARBPZSA-N 0 3 333.432 1.446 50 0 EDAAHN O=C1N(Cc2ccccc2F)CCC[C@]1(O)CN1CCCOCC1 ZINC000014981640 441193381 /nfs/dbraw/zinc/19/33/81/441193381.db2.gz 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Cc1nccn1Cc1nnc([C@H]2CCCN(Cc3c[nH]cn3)C2)n1C ZINC000095388126 441919367 /nfs/dbraw/zinc/91/93/67/441919367.db2.gz BALFGLUENRLLKU-AWEZNQCLSA-N 0 3 340.435 1.471 50 0 EDAAHN Cc1nccn1Cc1nnc([C@H]2CCCN(Cc3cnc[nH]3)C2)n1C ZINC000095388126 441919373 /nfs/dbraw/zinc/91/93/73/441919373.db2.gz BALFGLUENRLLKU-AWEZNQCLSA-N 0 3 340.435 1.471 50 0 EDAAHN CC(C)=CCN1CCC(NC(=O)NC[C@@](C)(O)c2cnn(C)c2)CC1 ZINC000095400966 441922151 /nfs/dbraw/zinc/92/21/51/441922151.db2.gz FIYRYIDYJRROTR-GOSISDBHSA-N 0 3 349.479 1.357 50 0 EDAAHN CCN1CCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000096005993 441979325 /nfs/dbraw/zinc/97/93/25/441979325.db2.gz UAEDOPRRMNRBFE-SFHVURJKSA-N 0 3 346.475 1.100 50 0 EDAAHN COCCCN1CCC(NC(=O)Cc2noc3ccccc23)CC1 ZINC000069420325 441931773 /nfs/dbraw/zinc/93/17/73/441931773.db2.gz CQPKBCJYNHRGJH-UHFFFAOYSA-N 0 3 331.416 1.987 50 0 EDAAHN Cc1cccc2nc(CN3CCC[C@H](Cn4ccnn4)C3)cc(=O)n12 ZINC000095973128 441965874 /nfs/dbraw/zinc/96/58/74/441965874.db2.gz QTSMFXQSIBKWQQ-HNNXBMFYSA-N 0 3 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347.525 1.253 50 0 EDAAHN Cc1cc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(C)n1 ZINC000097674275 219045827 /nfs/dbraw/zinc/04/58/27/219045827.db2.gz OLRDSAKNIDYEOG-UHFFFAOYSA-N 0 3 344.459 1.644 50 0 EDAAHN CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000052922342 214155096 /nfs/dbraw/zinc/15/50/96/214155096.db2.gz SVXLVYNPAZQXPX-ROUUACIJSA-N 0 3 329.444 1.636 50 0 EDAAHN CCOc1ccc(NC(=O)C[C@H](NCCC[NH+](C)C)C(=O)[O-])cc1 ZINC000056964121 214397628 /nfs/dbraw/zinc/39/76/28/214397628.db2.gz ZTVIQGJWHRFPHN-HNNXBMFYSA-N 0 3 337.420 1.408 50 0 EDAAHN CN(C)[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)c1ccccc1 ZINC000003437909 210038878 /nfs/dbraw/zinc/03/88/78/210038878.db2.gz RZFSCKBXSXADPU-INIZCTEOSA-N 0 3 336.395 1.956 50 0 EDAAHN CCOc1ccc2[nH]c(=O)c(CN3CCC(=O)NC[C@H]3C)cc2c1 ZINC000067605766 215167835 /nfs/dbraw/zinc/16/78/35/215167835.db2.gz BKQFVSDZRSFRSQ-GFCCVEGCSA-N 0 3 329.400 1.637 50 0 EDAAHN CS(=O)(=O)NC[C@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000067714853 215194070 /nfs/dbraw/zinc/19/40/70/215194070.db2.gz JYWHERUHNGGTTL-CYBMUJFWSA-N 0 3 334.445 1.448 50 0 EDAAHN Cc1cccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)n1 ZINC000067739666 215199218 /nfs/dbraw/zinc/19/92/18/215199218.db2.gz PLHJCHFJKDTWAC-HNNXBMFYSA-N 0 3 342.447 1.644 50 0 EDAAHN CCN1CC[C@H](CNS(=O)(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000067886654 215242563 /nfs/dbraw/zinc/24/25/63/215242563.db2.gz AQDDHIRNXAXRTD-CQSZACIVSA-N 0 3 334.445 1.492 50 0 EDAAHN Cc1cc(CS(=O)(=O)C(C)C(=O)N2C[C@@H](C)C[C@H](C)C2)no1 ZINC000040528890 213338474 /nfs/dbraw/zinc/33/84/74/213338474.db2.gz JGAGXJZEFLHMCZ-GMXVVIOVSA-N 0 3 328.434 1.791 50 0 EDAAHN COc1cccc(CS(=O)(=O)C(C)C(=O)NC[C@@H]2CCCO2)c1 ZINC000040528804 213337349 /nfs/dbraw/zinc/33/73/49/213337349.db2.gz FDUVFAIDGNXUAM-DOMZBBRYSA-N 0 3 341.429 1.294 50 0 EDAAHN CCN1CCC[C@H]1CNC(=O)CCc1nc(-c2cccnc2)no1 ZINC000040510995 213328180 /nfs/dbraw/zinc/32/81/80/213328180.db2.gz HUZKVASBHJXXAL-AWEZNQCLSA-N 0 3 329.404 1.665 50 0 EDAAHN C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000038605878 213215700 /nfs/dbraw/zinc/21/57/00/213215700.db2.gz BTHCJHQOYFUIMG-BQSAVQNUSA-N 0 3 337.416 1.273 50 0 EDAAHN CC(C)C[C@H](CN(C)C)NC(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000072012911 215993695 /nfs/dbraw/zinc/99/36/95/215993695.db2.gz IIAAIZYYOUWICE-OAHLLOKOSA-N 0 3 326.485 1.473 50 0 EDAAHN CN1CCC(C(=O)N2CCC[C@](O)(CO)CC2)(c2ccccc2)CC1 ZINC000072158906 216048900 /nfs/dbraw/zinc/04/89/00/216048900.db2.gz PMRLQFHAMWRRAU-LJQANCHMSA-N 0 3 346.471 1.386 50 0 EDAAHN Cc1ccc([C@H](CNC(=O)CCCN2C(=O)CNC2=O)N(C)C)cc1 ZINC000072274769 216100537 /nfs/dbraw/zinc/10/05/37/216100537.db2.gz RTPNLXMMBSDOMX-HNNXBMFYSA-N 0 3 346.431 1.046 50 0 EDAAHN Cc1ccc(CN2CCN(c3cc(C)nc(N)n3)C[C@@H]2CCO)cc1 ZINC000072407788 216198738 /nfs/dbraw/zinc/19/87/38/216198738.db2.gz ORGGSXJUUGUWBB-KRWDZBQOSA-N 0 3 341.459 1.749 50 0 EDAAHN Cc1nc(NCCNC(=O)c2ccc3c(c2)OCO3)cc(N(C)C)n1 ZINC000072436828 216231859 /nfs/dbraw/zinc/23/18/59/216231859.db2.gz 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/nfs/dbraw/zinc/24/20/28/242242028.db2.gz QMQZTTHWTUVKPD-LJQANCHMSA-N 0 3 345.491 1.870 50 0 EDAAHN Cc1nnc(C2CCN(CC(=O)NCCc3ccccc3)CC2)[nH]1 ZINC000244758079 243075543 /nfs/dbraw/zinc/07/55/43/243075543.db2.gz OSAKMRBEEVRBOE-UHFFFAOYSA-N 0 3 327.432 1.651 50 0 EDAAHN CC(C)C[C@@H]1COCCN1C(=O)NCCCCN1CCN(C)CC1 ZINC000079306004 217206136 /nfs/dbraw/zinc/20/61/36/217206136.db2.gz HRMCPAYQMJIBEO-QGZVFWFLSA-N 0 3 340.512 1.471 50 0 EDAAHN NC(=O)CN1CC2(CCC1=O)CCN(CCOc1ccccc1)CC2 ZINC000091646172 218039886 /nfs/dbraw/zinc/03/98/86/218039886.db2.gz BOLORDYQELPPMG-UHFFFAOYSA-N 0 3 345.443 1.255 50 0 EDAAHN COc1ccccc1N1CCN(C(=O)C[C@H]2CNCCO2)CC1(C)C ZINC000091906921 218086705 /nfs/dbraw/zinc/08/67/05/218086705.db2.gz NTBBZOGGNUKHCW-HNNXBMFYSA-N 0 3 347.459 1.501 50 0 EDAAHN NC(=O)[C@@H]1CCCN(CCNC(=O)c2ccc3cccc(F)c3n2)C1 ZINC000091974176 218097210 /nfs/dbraw/zinc/09/72/10/218097210.db2.gz UIXRXKQUACVUBO-CYBMUJFWSA-N 0 3 344.390 1.301 50 0 EDAAHN CC[NH+]1CCC(CC(=O)N2CCC[C@H](c3cc(=O)[n-]c(C)n3)C2)CC1 ZINC000095376540 218308705 /nfs/dbraw/zinc/30/87/05/218308705.db2.gz HIEUVTSQJMJUNN-INIZCTEOSA-N 0 3 346.475 1.906 50 0 EDAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 ZINC000095384818 218317334 /nfs/dbraw/zinc/31/73/34/218317334.db2.gz GJEJHWMYOPIJLN-DGCLKSJQSA-N 0 3 339.823 1.211 50 0 EDAAHN C[C@H]1CCCC[C@@H]1OCCNCc1cnc(N2CCN(C)CC2)nc1 ZINC000095416630 218355437 /nfs/dbraw/zinc/35/54/37/218355437.db2.gz MELVIPNRJOXBCY-WMZOPIPTSA-N 0 3 347.507 1.913 50 0 EDAAHN C[C@@H]1C[C@@H](NCc2ccccc2OCCN2CCOCC2)CN1C ZINC000095421117 218363116 /nfs/dbraw/zinc/36/31/16/218363116.db2.gz PZCPZEUSNFAITD-SJLPKXTDSA-N 0 3 333.476 1.580 50 0 EDAAHN C[C@@H]1Cc2cc(S(=O)(=O)NC[C@H](N)c3ccccc3)ccc2O1 ZINC000095432050 218374487 /nfs/dbraw/zinc/37/44/87/218374487.db2.gz SNFRFUZZQPSKED-WBMJQRKESA-N 0 3 332.425 1.988 50 0 EDAAHN Cc1nn(CCO)c(C)c1CNCc1cccc(Cn2cncn2)c1 ZINC000097159964 218976883 /nfs/dbraw/zinc/97/68/83/218976883.db2.gz VJPMECABDHUMNM-UHFFFAOYSA-N 0 3 340.431 1.422 50 0 EDAAHN CCNS(=O)(=O)[C@H]1CCN(C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000097235558 219002249 /nfs/dbraw/zinc/00/22/49/219002249.db2.gz XDPURDPIULQPDG-CJNGLKHVSA-N 0 3 326.462 1.812 50 0 EDAAHN CN(C)[C@H]1CCN(CC(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000299765955 258080767 /nfs/dbraw/zinc/08/07/67/258080767.db2.gz YHFHLHSNZXMFBL-ZDUSSCGKSA-N 0 3 329.366 1.958 50 0 EDAAHN COc1ccc(OC)c(N2C[C@@H](C(=O)NC[C@H](C)N(C)C)CC2=O)c1 ZINC000046271791 286342877 /nfs/dbraw/zinc/34/28/77/286342877.db2.gz GTVDJRNBSJIMRW-STQMWFEESA-N 0 3 349.431 1.123 50 0 EDAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2ccccc2oc1=O ZINC000069438433 276787514 /nfs/dbraw/zinc/78/75/14/276787514.db2.gz ZTZSCCGFYZPROV-HNNXBMFYSA-N 0 3 344.411 1.976 50 0 EDAAHN CC(=O)N1CCC(C(=O)NC[C@H](c2cccc(C)c2)N(C)C)CC1 ZINC000067692079 277982114 /nfs/dbraw/zinc/98/21/14/277982114.db2.gz PTDWKOWNNRRNFX-GOSISDBHSA-N 0 3 331.460 1.972 50 0 EDAAHN CCN1CC2(CCN(C(=O)CNC)CC2)C[C@@H](c2ccccc2)C1=O ZINC000092022599 279256249 /nfs/dbraw/zinc/25/62/49/279256249.db2.gz KJXRKQGANLZBSA-KRWDZBQOSA-N 0 3 343.471 1.851 50 0 EDAAHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)/C=C\c2ccsc2)CC1 ZINC000096257304 295151741 /nfs/dbraw/zinc/15/17/41/295151741.db2.gz NDDIXBATZJMFAV-ABCZVMIZSA-N 0 3 333.457 1.702 50 0 EDAAHN CN(C)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001837025 440853575 /nfs/dbraw/zinc/85/35/75/440853575.db2.gz BFKLSKIXGUBSIS-INIZCTEOSA-N 0 3 334.441 1.804 50 0 EDAAHN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(C)S(C)(=O)=O ZINC000044951171 440921859 /nfs/dbraw/zinc/92/18/59/440921859.db2.gz CGKOAQVBKAWXOG-CYBMUJFWSA-N 0 3 335.429 1.538 50 0 EDAAHN CCN1CCC(NC(=O)CN2CCC[C@@H]2Cn2cc(C)cn2)CC1 ZINC000070006303 441102101 /nfs/dbraw/zinc/10/21/01/441102101.db2.gz YBHASZSJIGXHTD-QGZVFWFLSA-N 0 3 333.480 1.256 50 0 EDAAHN O=C(CN[C@@H]1CCc2ncnn2C1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069948525 441094474 /nfs/dbraw/zinc/09/44/74/441094474.db2.gz RBUAFQARLHTYDZ-SDDRHHMPSA-N 0 3 345.369 1.420 50 0 EDAAHN Cc1ccc([C@H](CNC(=O)CN(C)c2cnccn2)N(C)C)cc1 ZINC000058343849 441183559 /nfs/dbraw/zinc/18/35/59/441183559.db2.gz LZUXHFPIBIRSJR-INIZCTEOSA-N 0 3 327.432 1.640 50 0 EDAAHN [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)c3ccccc3[O-])CC2)[C@H]1O ZINC000072170432 441206141 /nfs/dbraw/zinc/20/61/41/441206141.db2.gz KOACVPFLWHLKJT-MSOLQXFVSA-N 0 3 338.407 1.941 50 0 EDAAHN CC[C@@H]1CN(Cc2csc(-c3cnn(C)c3)n2)CCN1C[C@@H](C)O ZINC000072279777 441218458 /nfs/dbraw/zinc/21/84/58/441218458.db2.gz JVSPZLBVYQBEDB-CZUORRHYSA-N 0 3 349.504 1.821 50 0 EDAAHN CC(C)[C@H](C(=O)N1CCN(Cc2ccncc2)CC1)N1CCCC1 ZINC000063854585 441358722 /nfs/dbraw/zinc/35/87/22/441358722.db2.gz DSNHFNUMEPCBIO-GOSISDBHSA-N 0 3 330.476 1.846 50 0 EDAAHN C[C@@H]1CN(C[C@@H](O)CN2CCC(Cn3cccn3)CC2)C[C@H](C)O1 ZINC000106585663 441360303 /nfs/dbraw/zinc/36/03/03/441360303.db2.gz IYUUGGYVNDVADA-JZXOWHBKSA-N 0 3 336.480 1.065 50 0 EDAAHN CCN(CC)CCn1cnc2c3c(sc2c1=O)SCC(=O)N3 ZINC000027562797 441405699 /nfs/dbraw/zinc/40/56/99/441405699.db2.gz LDDHISOGRIMPIX-UHFFFAOYSA-N 0 3 338.458 1.844 50 0 EDAAHN CCNc1cc(N2CCC[C@H](CCC(=O)NCCN(C)C)C2)ncn1 ZINC000065245038 441409522 /nfs/dbraw/zinc/40/95/22/441409522.db2.gz BFOXJGVTVYSZDT-OAHLLOKOSA-N 0 3 348.495 1.583 50 0 EDAAHN CN(C)[C@H]1CN(C(=O)CCSCc2ccc(F)cc2)C[C@@H]1O ZINC000065396857 441424037 /nfs/dbraw/zinc/42/40/37/441424037.db2.gz SPYRMSRTMZCWCO-GJZGRUSLSA-N 0 3 326.437 1.582 50 0 EDAAHN CC(C(=O)NCc1ccccc1Cl)S(=O)(=O)C[C@H]1CCCO1 ZINC000065405158 441427133 /nfs/dbraw/zinc/42/71/33/441427133.db2.gz QQBISOPPBJBVCG-DGCLKSJQSA-N 0 3 345.848 1.939 50 0 EDAAHN CCN(C)CCNC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC000065414444 441429692 /nfs/dbraw/zinc/42/96/92/441429692.db2.gz FTKXKVZUOAPXSK-AWEZNQCLSA-N 0 3 333.432 1.424 50 0 EDAAHN Cc1ccc([C@@H](NC(=O)CNC[C@@H]2CN(C)CCO2)C2CC2)cc1 ZINC000075133314 441501001 /nfs/dbraw/zinc/50/10/01/441501001.db2.gz DVQKKCAITAKVEK-IEBWSBKVSA-N 0 3 331.460 1.483 50 0 EDAAHN CCN1CCCC[C@@H]1CNC(=O)NCc1csc(N(C)C)n1 ZINC000075092059 441493014 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COc1ccc([C@@H](CNC(=O)N[C@H](C)Cn2cccn2)N(C)C)cc1 ZINC000089904368 441592415 /nfs/dbraw/zinc/59/24/15/441592415.db2.gz GYDTUFJTAJJEMD-RHSMWYFYSA-N 0 3 345.447 1.882 50 0 EDAAHN CN1C(=O)N[C@](C)([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)C1=O ZINC000089914251 441594492 /nfs/dbraw/zinc/59/44/92/441594492.db2.gz WZXUVDMZPNJBQG-FZKQIMNGSA-N 0 3 349.406 1.857 50 0 EDAAHN COc1ccccc1CNCCn1c(=O)[nH]c2ccccc2c1=O ZINC000091296966 441694133 /nfs/dbraw/zinc/69/41/33/441694133.db2.gz NUAJBITWGGTZCM-UHFFFAOYSA-N 0 3 325.368 1.488 50 0 in-vitro EDAAHN CN1CCC(Cc2noc(-c3ccc(Cn4cnnn4)cc3)n2)CC1 ZINC000067724321 441673362 /nfs/dbraw/zinc/67/33/62/441673362.db2.gz RJENJBQXAMXSEF-UHFFFAOYSA-N 0 3 339.403 1.656 50 0 EDAAHN COCCC[C@@]1(CO)CCCN(C(=O)CN2CCCCCC2)C1 ZINC000092020654 441763058 /nfs/dbraw/zinc/76/30/58/441763058.db2.gz RSTQKKNNRJAYLE-SFHVURJKSA-N 0 3 326.481 1.890 50 0 EDAAHN O=C(CN1CCOC1=O)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000077459076 441785630 /nfs/dbraw/zinc/78/56/30/441785630.db2.gz KPXOLQHJEFWXJV-UHFFFAOYSA-N 0 3 343.427 1.140 50 0 EDAAHN CO[C@H](C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000069374619 441924016 /nfs/dbraw/zinc/92/40/16/441924016.db2.gz AKASXCXTFRBTTI-SJORKVTESA-N 0 3 345.443 1.315 50 0 EDAAHN COc1ccccc1CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000069532869 441968756 /nfs/dbraw/zinc/96/87/56/441968756.db2.gz LQBALSMBVIHACJ-INIZCTEOSA-N 0 3 347.459 1.297 50 0 EDAAHN Cc1cnn(C[C@H](C)N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000069564488 441975898 /nfs/dbraw/zinc/97/58/98/441975898.db2.gz CWXAZXOGHUPVOC-UONOGXRCSA-N 0 3 341.415 1.543 50 0 EDAAHN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)CCN2CCCC2)c1 ZINC000069598698 441986992 /nfs/dbraw/zinc/98/69/92/441986992.db2.gz CZTUQCRSUKNBIW-CYBMUJFWSA-N 0 3 340.445 1.626 50 0 EDAAHN COc1ccc(C)cc1CN1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000078896148 441989411 /nfs/dbraw/zinc/98/94/11/441989411.db2.gz UJZPUQARPWOJTB-VQIMIIECSA-N 0 3 345.487 1.988 50 0 EDAAHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000069616593 441990455 /nfs/dbraw/zinc/99/04/55/441990455.db2.gz JJLGILDXHDDHAH-LLVKDONJSA-N 0 3 341.864 1.956 50 0 EDAAHN CCc1nc2n(n1)C[C@@H](NCC(=O)N1CCc3sccc3C1)CC2 ZINC000069661124 442005965 /nfs/dbraw/zinc/00/59/65/442005965.db2.gz WGTRTKKLQBXJJI-ZDUSSCGKSA-N 0 3 345.472 1.391 50 0 EDAAHN O=C(CN[C@H]1CCc2ncnn2C1)NCC1(c2ccccc2)CCC1 ZINC000069740451 442027263 /nfs/dbraw/zinc/02/72/63/442027263.db2.gz OTXOVBQKKUREIT-INIZCTEOSA-N 0 3 339.443 1.421 50 0 EDAAHN CN1CCC(Cc2nc(COCc3ccccc3)n(CCO)n2)CC1 ZINC000096150994 442045992 /nfs/dbraw/zinc/04/59/92/442045992.db2.gz GLHGNAOIIQDLFP-UHFFFAOYSA-N 0 3 344.459 1.872 50 0 EDAAHN O[C@@H](COc1ccccc1)CN1CCN(CC2(O)CCCCC2)CC1 ZINC000069820046 442049819 /nfs/dbraw/zinc/04/98/19/442049819.db2.gz RRUDTMXFFJZTLC-GOSISDBHSA-N 0 3 348.487 1.739 50 0 EDAAHN CCN1CCCC[C@H]1C(=O)N1CCCN(Cc2nccn2C)CC1 ZINC000069919135 442073319 /nfs/dbraw/zinc/07/33/19/442073319.db2.gz YLBYKBOUZVFVQQ-INIZCTEOSA-N 0 3 333.480 1.329 50 0 EDAAHN Cc1nc(CN2CCC[C@H](NCC(=O)N[C@@H](C)c3ccco3)C2)no1 ZINC000069925536 442077060 /nfs/dbraw/zinc/07/70/60/442077060.db2.gz PTFQAYXHBCNYCC-JSGCOSHPSA-N 0 3 347.419 1.402 50 0 EDAAHN COCCS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000096415059 442120088 /nfs/dbraw/zinc/12/00/88/442120088.db2.gz FWKASBYBXLASJL-NVXWUHKLSA-N 0 3 340.489 1.948 50 0 EDAAHN CCN1CCN(c2ccc(C(=O)NC[C@@H](O)c3ccco3)cc2)CC1 ZINC000096436075 442130141 /nfs/dbraw/zinc/13/01/41/442130141.db2.gz YXUKIMQAHPPNAZ-QGZVFWFLSA-N 0 3 343.427 1.885 50 0 EDAAHN CN(CCc1ccncc1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000097113787 442171515 /nfs/dbraw/zinc/17/15/15/442171515.db2.gz FZXKCTJPZFJSHM-UHFFFAOYSA-N 0 3 326.448 1.298 50 0 EDAAHN Cc1cccc(NC[C@H]2CCN(CCCN3C(=O)CNC3=O)C2)n1 ZINC000097200544 442184393 /nfs/dbraw/zinc/18/43/93/442184393.db2.gz VWVKJHAKIXFMSM-CQSZACIVSA-N 0 3 331.420 1.066 50 0 EDAAHN CS(=O)(=O)[C@@H]1CCC[C@H]1N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000097033350 442158078 /nfs/dbraw/zinc/15/80/78/442158078.db2.gz YGVKISFYUANIJR-IAOVAPTHSA-N 0 3 336.457 1.627 50 0 EDAAHN Cc1csc2nc(CNC3(CO)Cc4ccccc4C3)cc(=O)n12 ZINC000169986495 442228396 /nfs/dbraw/zinc/22/83/96/442228396.db2.gz KBZZCBMHUOIPPC-UHFFFAOYSA-N 0 3 341.436 1.684 50 0 EDAAHN C[C@H]1COCCN1CCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000192805832 442688146 /nfs/dbraw/zinc/68/81/46/442688146.db2.gz FOGCBGPLUJHKAN-INIZCTEOSA-N 0 3 336.451 1.916 50 0 EDAAHN CN1CCN([C@@H]2CCCCN(Cc3cn4ccccc4n3)C2)CC1 ZINC000182893263 442842344 /nfs/dbraw/zinc/84/23/44/442842344.db2.gz RTFNKHPEXIVICN-GOSISDBHSA-N 0 3 327.476 1.936 50 0 EDAAHN CC(C)Nc1nc(NCCO)nc(N2CCC(n3ccnc3)CC2)n1 ZINC000252491505 443032527 /nfs/dbraw/zinc/03/25/27/443032527.db2.gz LNRGYTJEMWGCPN-UHFFFAOYSA-N 0 3 346.439 1.134 50 0 EDAAHN Cc1cnn(CCC(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000252511240 443038142 /nfs/dbraw/zinc/03/81/42/443038142.db2.gz FICJHKVITAECIA-BRWVUGGUSA-N 0 3 334.464 1.587 50 0 EDAAHN CN1CCCN(c2ccc(CNC(=O)NC[C@H]3CCOC3)cn2)CC1 ZINC000252511243 443038431 /nfs/dbraw/zinc/03/84/31/443038431.db2.gz FIOCKNHMSWPWPM-MRXNPFEDSA-N 0 3 347.463 1.059 50 0 EDAAHN CN1CCN(CCC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)CC1 ZINC000219745072 443060428 /nfs/dbraw/zinc/06/04/28/443060428.db2.gz KJBBOSAKIUNUQU-GOSISDBHSA-N 0 3 346.475 1.227 50 0 EDAAHN CC(C)N1CCN(c2cccc(NC(=O)[C@H]3C[C@H](F)CN3)c2)CC1 ZINC000253427463 443066804 /nfs/dbraw/zinc/06/68/04/443066804.db2.gz MPVUQMHVFXKCHR-WMLDXEAASA-N 0 3 334.439 1.856 50 0 EDAAHN CCC1(CC)CN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CCS1 ZINC000253430896 443068403 /nfs/dbraw/zinc/06/84/03/443068403.db2.gz MOVXAEOEQSEXPP-KBPBESRZSA-N 0 3 341.521 1.706 50 0 EDAAHN O=C(CNC[C@H]1CCCO1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000225474817 443106288 /nfs/dbraw/zinc/10/62/88/443106288.db2.gz FWPLVFGRPGJLRS-MRXNPFEDSA-N 0 3 337.851 1.757 50 0 EDAAHN C[C@@H](NC1CC(NC(=O)OC(C)(C)C)C1)C(=O)NCc1ccco1 ZINC000225514770 443108845 /nfs/dbraw/zinc/10/88/45/443108845.db2.gz HYXPRLRAMMHFRX-PNESKVBLSA-N 0 3 337.420 1.930 50 0 EDAAHN O=C(N[C@@H]1CN(C2CCOCC2)C[C@H]1CO)c1ccc(Cl)cc1 ZINC000257182889 443118832 /nfs/dbraw/zinc/11/88/32/443118832.db2.gz GXZGZLLBCNDGAU-XJKSGUPXSA-N 0 3 338.835 1.542 50 0 EDAAHN COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000237107836 443158886 /nfs/dbraw/zinc/15/88/86/443158886.db2.gz RICXLNVZRITDQX-CMPLNLGQSA-N 0 3 346.424 1.639 50 0 EDAAHN O=C(NCCc1ccccc1)C1CCN(CCn2cc[nH]c2=O)CC1 ZINC000244811474 443214531 /nfs/dbraw/zinc/21/45/31/443214531.db2.gz SDKMHBCUJOGDPZ-UHFFFAOYSA-N 0 3 342.443 1.247 50 0 EDAAHN C[C@@H](CNc1nc2c(cnn2C)c(N)n1)N1CCc2ccccc2C1 ZINC000278427704 443328391 /nfs/dbraw/zinc/32/83/91/443328391.db2.gz PHEHIOORLNCTRH-LBPRGKRZSA-N 0 3 337.431 1.804 50 0 EDAAHN COC(=O)[C@@H](NCCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000283403876 443624824 /nfs/dbraw/zinc/62/48/24/443624824.db2.gz VHFPABXHJDTZJS-SFHVURJKSA-N 0 3 333.476 1.906 50 0 EDAAHN CSCC[C@H](O)C(=O)NCC1(c2ccccc2)CCN(C)CC1 ZINC000299770068 444137393 /nfs/dbraw/zinc/13/73/93/444137393.db2.gz QGJODCPRSVYHLB-INIZCTEOSA-N 0 3 336.501 1.880 50 0 EDAAHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ncnc2nc[nH]c21 ZINC000302468959 444214265 /nfs/dbraw/zinc/21/42/65/444214265.db2.gz TWVLWDWUVKPLPG-SFHVURJKSA-N 0 3 338.415 1.426 50 0 EDAAHN C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)[C@@]1(C)CCCO1 ZINC000331122438 444403099 /nfs/dbraw/zinc/40/30/99/444403099.db2.gz AAHBVKRJRHJWIM-XJKSGUPXSA-N 0 3 326.462 1.984 50 0 EDAAHN C[C@H]1CN(C2CCOCC2)CCN1Cc1nc(CC(F)(F)F)no1 ZINC000330182710 444877532 /nfs/dbraw/zinc/87/75/32/444877532.db2.gz HLGXJLUEWZERNE-NSHDSACASA-N 0 3 348.369 1.860 50 0 EDAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000426693674 447493060 /nfs/dbraw/zinc/49/30/60/447493060.db2.gz GAWVADPLJBYJFM-WFASDCNBSA-N 0 3 348.403 1.361 50 0 EDAAHN CN(CCN(C)C1CC1)C(=O)Cc1nnc(-c2ccccc2)n1C ZINC000408524153 447677333 /nfs/dbraw/zinc/67/73/33/447677333.db2.gz YMPLRPRTOXLXTI-UHFFFAOYSA-N 0 3 327.432 1.577 50 0 EDAAHN CN(C)C[C@]1(O)CCN(C(=O)c2cccc(-c3cccnc3N)c2)C1 ZINC000584887495 448665624 /nfs/dbraw/zinc/66/56/24/448665624.db2.gz OUYAQWBDBKSFPH-LJQANCHMSA-N 0 3 340.427 1.469 50 0 EDAAHN CCCCN(C)c1ccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000655298916 453422150 /nfs/dbraw/zinc/42/21/50/453422150.db2.gz VVHLCRKQFVKOKR-ZWKOTPCHSA-N 0 3 331.460 1.814 50 0 EDAAHN CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(CCc2ccncc2)C1 ZINC000084304193 486256519 /nfs/dbraw/zinc/25/65/19/486256519.db2.gz HXEFNFOORYHVLB-QGZVFWFLSA-N 0 3 340.475 1.836 50 0 EDAAHN Cc1nnc(CNC2(CO)CCN(Cc3ccccc3)CC2)s1 ZINC000888095823 591026909 /nfs/dbraw/zinc/02/69/09/591026909.db2.gz XCSOFHAIKKMEFQ-UHFFFAOYSA-N 0 3 332.473 1.963 50 0 EDAAHN CC(=O)N1CCCN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000051154555 214081027 /nfs/dbraw/zinc/08/10/27/214081027.db2.gz PHOPGWHOBDNJAP-QGZVFWFLSA-N 0 3 344.459 1.568 50 0 EDAAHN CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237129155 282092964 /nfs/dbraw/zinc/09/29/64/282092964.db2.gz YDGXAPYJBUTBGA-QGZVFWFLSA-N 0 3 347.459 1.373 50 0 EDAAHN CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237129155 282092966 /nfs/dbraw/zinc/09/29/66/282092966.db2.gz YDGXAPYJBUTBGA-QGZVFWFLSA-N 0 3 347.459 1.373 50 0 EDAAHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(-c3cnco3)cc2)CC1=O ZINC000174058574 231110540 /nfs/dbraw/zinc/11/05/40/231110540.db2.gz BKYDPYURMJKTFS-CQSZACIVSA-N 0 3 342.399 1.690 50 0 EDAAHN CCOc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCC(N)=O ZINC000004488509 210201517 /nfs/dbraw/zinc/20/15/17/210201517.db2.gz CNBHMDFUVXUCQM-LBPRGKRZSA-N 0 3 342.823 1.871 50 0 EDAAHN COc1ccc(NC(=O)CN2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000066561979 215053215 /nfs/dbraw/zinc/05/32/15/215053215.db2.gz TWYOKSVSTPIJNP-OAHLLOKOSA-N 0 3 347.459 1.819 50 0 EDAAHN Cc1noc([C@]23CN(CCc4c(C)noc4C)C[C@H]2CN(C)CC3)n1 ZINC000685941063 539579456 /nfs/dbraw/zinc/57/94/56/539579456.db2.gz PIXPANIMDBRYAD-CRAIPNDOSA-N 0 3 345.447 1.731 50 0 EDAAHN CCCc1cc(C(=O)N[C@@H](C)c2nnc3n2CCNCC3)cs1 ZINC000067605444 215167182 /nfs/dbraw/zinc/16/71/82/215167182.db2.gz UZTPQJFCYKDRCN-NSHDSACASA-N 0 3 333.461 1.929 50 0 EDAAHN Cc1ccc(CN2CCC[C@@H](CNC(=O)CNC(N)=O)C2)cc1C ZINC000067725512 215195724 /nfs/dbraw/zinc/19/57/24/215195724.db2.gz SLTOKOBJELSDCO-INIZCTEOSA-N 0 3 332.448 1.300 50 0 EDAAHN O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCc1ccncc1 ZINC000067805622 215217922 /nfs/dbraw/zinc/21/79/22/215217922.db2.gz UXQZUKRJRYRLAJ-FQEVSTJZSA-N 0 3 339.439 1.767 50 0 EDAAHN Cc1n[nH]c(C)c1[C@H](N)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000067846964 215228745 /nfs/dbraw/zinc/22/87/45/215228745.db2.gz FVPBNAIHVNGWSI-KRWDZBQOSA-N 0 3 329.448 1.617 50 0 EDAAHN Cc1cc(CS(=O)(=O)C(C)C(=O)NC2CCC(C)CC2)no1 ZINC000040528904 213338413 /nfs/dbraw/zinc/33/84/13/213338413.db2.gz HFSYGHMENHNHCX-YXMLORGKSA-N 0 3 328.434 1.981 50 0 EDAAHN Cc1ncc(CN2CCN(C3CCN(C)CC3)[C@H](CCO)C2)s1 ZINC000039468553 213238550 /nfs/dbraw/zinc/23/85/50/213238550.db2.gz VVWUHMHBOXTPJY-MRXNPFEDSA-N 0 3 338.521 1.414 50 0 EDAAHN CCc1nnc2n1C[C@H](CNCCS(=O)(=O)c1ccccc1)CC2 ZINC000069652215 215513423 /nfs/dbraw/zinc/51/34/23/215513423.db2.gz BJJPNCHMNBPRQL-AWEZNQCLSA-N 0 3 348.472 1.466 50 0 EDAAHN Cn1nc2c(cc1=O)CN(CCC(=O)N1CCc3ccccc31)CC2 ZINC000072302444 216140698 /nfs/dbraw/zinc/14/06/98/216140698.db2.gz QAIXJPSOXSHFHZ-UHFFFAOYSA-N 0 3 338.411 1.118 50 0 EDAAHN CC[C@H](c1ccnn1C)n1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072409125 216201590 /nfs/dbraw/zinc/20/15/90/216201590.db2.gz SVLZLVXYJGODRQ-OAHLLOKOSA-N 0 3 325.420 1.973 50 0 EDAAHN CCCCc1ncc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)[nH]1 ZINC000072424903 216214489 /nfs/dbraw/zinc/21/44/89/216214489.db2.gz AOFNKKOWJYILOR-DOTOQJQBSA-N 0 3 348.491 1.948 50 0 EDAAHN c1c(CN2CCN(CCc3ccccn3)CC2)nn2c1CNCCC2 ZINC000072454040 216240601 /nfs/dbraw/zinc/24/06/01/216240601.db2.gz UZFWURKWYFSDBE-UHFFFAOYSA-N 0 3 340.475 1.132 50 0 EDAAHN O=C(CCc1cc2n(n1)CCCNC2)NCc1ccc(F)c(F)c1 ZINC000072475697 216252474 /nfs/dbraw/zinc/25/24/74/216252474.db2.gz OBXKUGZKMPPERG-UHFFFAOYSA-N 0 3 334.370 1.904 50 0 EDAAHN CC(C)(N)c1cn(C2CCN(C(=O)CC3CCOCC3)CC2)nn1 ZINC000023478755 212380115 /nfs/dbraw/zinc/38/01/15/212380115.db2.gz 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Cc1c(F)cccc1CN1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 ZINC000095360691 218293490 /nfs/dbraw/zinc/29/34/90/218293490.db2.gz QOOZJOPHJDMORJ-QZTJIDSGSA-N 0 3 335.467 1.422 50 0 EDAAHN Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)N3CCSCC3)C2)cn1 ZINC000095381904 218314437 /nfs/dbraw/zinc/31/44/37/218314437.db2.gz XDJQQCVVUFVLOB-UONOGXRCSA-N 0 3 348.472 1.130 50 0 EDAAHN CCc1cccc(OC2CN(C(=O)c3n[nH]c4c3CN(C)CC4)C2)c1 ZINC000095391168 218323014 /nfs/dbraw/zinc/32/30/14/218323014.db2.gz UHRZVRYXBJETPY-UHFFFAOYSA-N 0 3 340.427 1.863 50 0 EDAAHN CS[C@@H]1CN([C@@H](C)C(=O)NCCc2cccs2)C[C@@H]1N(C)C ZINC000095446849 218391362 /nfs/dbraw/zinc/39/13/62/218391362.db2.gz XAAGIASPXRRHBJ-AEGPPILISA-N 0 3 341.546 1.773 50 0 EDAAHN C[C@H]1CCCCN1CCNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000005069565 210383508 /nfs/dbraw/zinc/38/35/08/210383508.db2.gz FKSRXOUJSKNUNR-XJKSGUPXSA-N 0 3 331.416 1.767 50 0 aggregator EDAAHN Cc1nc(N(C)C)ncc1C(=O)N1CCC(N2CCSCC2)CC1 ZINC000097323960 219012206 /nfs/dbraw/zinc/01/22/06/219012206.db2.gz 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/nfs/dbraw/zinc/02/29/66/277022966.db2.gz YZEBYJDEIAHGLM-RPCJCACASA-N 0 3 339.483 1.812 50 0 EDAAHN C[C@H](O)CN1CCN(C(=O)[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000071875841 278293550 /nfs/dbraw/zinc/29/35/50/278293550.db2.gz MYZOZYSLZRDLOX-WMZOPIPTSA-N 0 3 331.460 1.349 50 0 EDAAHN C[C@@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CCOCC1 ZINC000095416366 278377903 /nfs/dbraw/zinc/37/79/03/278377903.db2.gz GSHUBCCFPFNGGA-QAPCUYQASA-N 0 3 332.444 1.991 50 0 EDAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc2ccccc2oc1=O ZINC000069438438 289143485 /nfs/dbraw/zinc/14/34/85/289143485.db2.gz ZTZSCCGFYZPROV-OAHLLOKOSA-N 0 3 344.411 1.976 50 0 EDAAHN Cc1nc2sc3c(c2c2nc(C(=O)NCCN(C)C)nn21)CCC3 ZINC000002362358 440861582 /nfs/dbraw/zinc/86/15/82/440861582.db2.gz SYTZEOVOGSVAAS-UHFFFAOYSA-N 0 3 344.444 1.428 50 0 EDAAHN O=C(Cn1ccccc1=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000044719563 440879813 /nfs/dbraw/zinc/87/98/13/440879813.db2.gz XOCUKVCAENHSSF-CQSZACIVSA-N 0 3 331.441 1.863 50 0 EDAAHN CCOC(=O)C1CCN(C[C@@H](O)COCc2cccs2)CC1 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CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(N(C)C)nc2)CC1 ZINC000071841811 441168031 /nfs/dbraw/zinc/16/80/31/441168031.db2.gz GYVDJXIKLZYCOB-HNNXBMFYSA-N 0 3 333.480 1.151 50 0 EDAAHN O=C(CNC[C@@H]1CCCN1c1cccnn1)NCCc1ccccc1 ZINC000071859848 441171767 /nfs/dbraw/zinc/17/17/67/441171767.db2.gz RXEYGPYAKXWHIC-KRWDZBQOSA-N 0 3 339.443 1.394 50 0 EDAAHN O=C(CN[C@H]1CCc2ncnn2C1)N1CCC[C@H]1c1cccs1 ZINC000071871723 441177586 /nfs/dbraw/zinc/17/75/86/441177586.db2.gz ZNGUROHSRCSPJZ-STQMWFEESA-N 0 3 331.445 1.608 50 0 EDAAHN CN(C)CCNC(=O)Cn1ccc(NC(=O)CCc2cccs2)n1 ZINC000072291526 441223200 /nfs/dbraw/zinc/22/32/00/441223200.db2.gz NPCQQKHIBHBMSH-UHFFFAOYSA-N 0 3 349.460 1.194 50 0 EDAAHN Cc1cc(=O)[n-]c(CCNC(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)n1 ZINC000019111489 441254075 /nfs/dbraw/zinc/25/40/75/441254075.db2.gz JVGRMBGQLVGDEB-NSHDSACASA-N 0 3 332.429 1.537 50 0 EDAAHN O=C(NCCCn1cncn1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000048278382 441283992 /nfs/dbraw/zinc/28/39/92/441283992.db2.gz BNZNKMZGRXMBQJ-KRWDZBQOSA-N 0 3 342.447 1.805 50 0 EDAAHN CCNc1nc(C)c(C(=O)NCc2cc3n(n2)CCCNC3)s1 ZINC000082092134 441331134 /nfs/dbraw/zinc/33/11/34/441331134.db2.gz HMDAZVJRDBEGPE-UHFFFAOYSA-N 0 3 334.449 1.503 50 0 EDAAHN Cc1ncc(CNC[C@](C)(O)c2cnn(C)c2)n1-c1ccccc1 ZINC000084046956 441382315 /nfs/dbraw/zinc/38/23/15/441382315.db2.gz BUQZYDFMISALEU-SFHVURJKSA-N 0 3 325.416 1.912 50 0 EDAAHN OCCc1cn(C[C@@H]2CCCN(Cc3ccc4nonc4c3)C2)nn1 ZINC000063846450 441357519 /nfs/dbraw/zinc/35/75/19/441357519.db2.gz FZGRQCYIQDWESD-CQSZACIVSA-N 0 3 342.403 1.261 50 0 EDAAHN O=C(CCNC(=O)NC1CCN(C2CC2)CC1)NCc1ccccc1 ZINC000084539092 441406617 /nfs/dbraw/zinc/40/66/17/441406617.db2.gz KJMIGLOXFMWGJI-UHFFFAOYSA-N 0 3 344.459 1.619 50 0 EDAAHN Cc1ccc(C[C@H]2CCCN(Cc3cc(=O)n(C)c(=O)n3C)C2)cc1 ZINC000065260922 441411613 /nfs/dbraw/zinc/41/16/13/441411613.db2.gz FZIAGIYNSXPBBQ-QGZVFWFLSA-N 0 3 341.455 1.847 50 0 EDAAHN O=C(COc1ccc(C(=O)N2CCCNCC2)cc1)N1CCCCC1 ZINC000065386727 441423303 /nfs/dbraw/zinc/42/33/03/441423303.db2.gz 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/nfs/dbraw/zinc/58/13/19/441581319.db2.gz WSYNHJDSMFDFAP-OAHLLOKOSA-N 0 3 340.431 1.753 50 0 EDAAHN COc1ccc([C@@H](CNC(=O)CN2CCCCCC2=O)N(C)C)cc1 ZINC000033023443 441585228 /nfs/dbraw/zinc/58/52/28/441585228.db2.gz ATXLCEMRDCFIHY-QGZVFWFLSA-N 0 3 347.459 1.817 50 0 EDAAHN CC(=O)N1CCN([C@H]2CN(CCOc3ccccc3)C[C@H]2C)CC1 ZINC000076055704 441588840 /nfs/dbraw/zinc/58/88/40/441588840.db2.gz QWFGWZJIPCRYDN-APWZRJJASA-N 0 3 331.460 1.550 50 0 EDAAHN O=S(=O)(N[C@@H]1CCN2CCCC[C@H]12)c1ccc2c(c1)OCCO2 ZINC000036389853 441607116 /nfs/dbraw/zinc/60/71/16/441607116.db2.gz DSNKIZRSCCQRHL-ZIAGYGMSSA-N 0 3 338.429 1.363 50 0 EDAAHN C[C@@H](CNC(=O)CN1c2ccccc2OCCC1=O)N1CCCC1 ZINC000040522580 441626419 /nfs/dbraw/zinc/62/64/19/441626419.db2.gz BAAPQFASKXKPMX-AWEZNQCLSA-N 0 3 331.416 1.403 50 0 EDAAHN COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000173333911 441715531 /nfs/dbraw/zinc/71/55/31/441715531.db2.gz SKAAJRQONGBWSN-MWLCHTKSSA-N 0 3 332.397 1.249 50 0 EDAAHN Cn1c(CN2CCCCC2)nnc1C1CCN(Cc2cnc[nH]2)CC1 ZINC000077390787 441771288 /nfs/dbraw/zinc/77/12/88/441771288.db2.gz URZLPSRESVYYIR-UHFFFAOYSA-N 0 3 343.479 1.904 50 0 EDAAHN CN(CC1CCN(Cc2ccccc2)CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC000077489825 441791169 /nfs/dbraw/zinc/79/11/69/441791169.db2.gz RIGNDOYCPCPITI-INIZCTEOSA-N 0 3 330.432 1.038 50 0 EDAAHN CC(C)(CNC(=O)CN1CCOCC1)N1CCc2ccccc2C1 ZINC000095451470 441929129 /nfs/dbraw/zinc/92/91/29/441929129.db2.gz NTCDTJOXKKXJRN-UHFFFAOYSA-N 0 3 331.460 1.272 50 0 EDAAHN Cc1nn(C)c(N(C)C)c1CNCC1(N2CCOCC2)CCCCC1 ZINC000069585796 441982548 /nfs/dbraw/zinc/98/25/48/441982548.db2.gz COMKBDUTQIDKNJ-UHFFFAOYSA-N 0 3 349.523 1.919 50 0 EDAAHN Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)ccc1-n1cnnn1 ZINC000069655268 442003401 /nfs/dbraw/zinc/00/34/01/442003401.db2.gz CTXQWMMTVDVPNB-IAGOWNOFSA-N 0 3 340.431 1.670 50 0 EDAAHN COCCOc1ccccc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000079110202 442020167 /nfs/dbraw/zinc/02/01/67/442020167.db2.gz UGQGMDRPDNIBQL-MRXNPFEDSA-N 0 3 348.443 1.695 50 0 EDAAHN Cc1nn(CCO)c(C)c1CN[C@@H]1CCCN(c2cccnn2)C1 ZINC000069740178 442027469 /nfs/dbraw/zinc/02/74/69/442027469.db2.gz HJSCDHUZGZGAEF-OAHLLOKOSA-N 0 3 330.436 1.041 50 0 EDAAHN COc1ccc(NC(=O)CCN2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000069775522 442037371 /nfs/dbraw/zinc/03/73/71/442037371.db2.gz FIPJFZLTORVAJR-OAHLLOKOSA-N 0 3 346.431 1.513 50 0 EDAAHN CSc1ccc(C[N@@H+]2C[C@H]3CN(CCO)C[C@@]3(C(=O)[O-])C2)cc1 ZINC000096130391 442041103 /nfs/dbraw/zinc/04/11/03/442041103.db2.gz WRYLVQBVVKTTRJ-RHSMWYFYSA-N 0 3 336.457 1.219 50 0 EDAAHN CSc1ccc(C[N@H+]2C[C@H]3CN(CCO)C[C@@]3(C(=O)[O-])C2)cc1 ZINC000096130391 442041106 /nfs/dbraw/zinc/04/11/06/442041106.db2.gz WRYLVQBVVKTTRJ-RHSMWYFYSA-N 0 3 336.457 1.219 50 0 EDAAHN COC(=O)c1ccc(/C=C\C(=O)Nc2cnn(CCN(C)C)c2)cc1 ZINC000096292598 442110152 /nfs/dbraw/zinc/11/01/52/442110152.db2.gz GLPCLORPVSZIDD-TWGQIWQCSA-N 0 3 342.399 1.883 50 0 EDAAHN C[C@@H](NCC1(c2ccc(Br)cc2)CCOCC1)C(N)=O ZINC000096501959 442145860 /nfs/dbraw/zinc/14/58/60/442145860.db2.gz PPUGLRKGVVRKFL-LLVKDONJSA-N 0 3 341.249 1.961 50 0 EDAAHN CC(C)(C)c1n[nH]cc1CNCCN1CCN(c2ncccn2)CC1 ZINC000097159236 442176993 /nfs/dbraw/zinc/17/69/93/442176993.db2.gz GHNBRUHXTWTYPO-UHFFFAOYSA-N 0 3 343.479 1.409 50 0 EDAAHN Cc1ccnc(NC[C@@H]2CCN(CCCN3C(=O)CNC3=O)C2)c1 ZINC000097200805 442184005 /nfs/dbraw/zinc/18/40/05/442184005.db2.gz DEDATLXMIWSJIW-AWEZNQCLSA-N 0 3 331.420 1.066 50 0 EDAAHN C[C@@H]1CC(NCc2cccnc2N2CCC(C(N)=O)CC2)C[C@@H](C)O1 ZINC000097034852 442158480 /nfs/dbraw/zinc/15/84/80/442158480.db2.gz OEPGCWNTONMODO-ZIAGYGMSSA-N 0 3 346.475 1.829 50 0 EDAAHN O=C([N-]c1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1cccc[n+]1[O-] ZINC000170676741 442247122 /nfs/dbraw/zinc/24/71/22/442247122.db2.gz RXTJGQWGNRLIBV-UHFFFAOYSA-N 0 3 341.367 1.481 50 0 EDAAHN CN1CCN(CC2CCN(C(=O)NCc3ccsc3)CC2)CC1 ZINC000192149592 442603849 /nfs/dbraw/zinc/60/38/49/442603849.db2.gz SMWOXLDWIXPFMC-UHFFFAOYSA-N 0 3 336.505 1.917 50 0 EDAAHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000247004343 442827215 /nfs/dbraw/zinc/82/72/15/442827215.db2.gz FPFIGLCTHWMUGY-STQMWFEESA-N 0 3 338.429 1.315 50 0 EDAAHN CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000194279436 442870914 /nfs/dbraw/zinc/87/09/14/442870914.db2.gz GWDMVHRGBLTZGT-CVEARBPZSA-N 0 3 326.396 1.855 50 0 EDAAHN COCCCNC(=O)[C@H](C)N1CCC[C@H]1[C@@H]1CCCN1C(C)=O ZINC000247971424 442875116 /nfs/dbraw/zinc/87/51/16/442875116.db2.gz YMRPSLWKWAMZEY-BPUTZDHNSA-N 0 3 325.453 1.003 50 0 EDAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)COc1ccc(C(N)=O)cc1 ZINC000248140062 442884345 /nfs/dbraw/zinc/88/43/45/442884345.db2.gz PYBUDRNSKSMBRI-HZPDHXFCSA-N 0 3 331.416 1.250 50 0 EDAAHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)c1ccc2nnnn2n1 ZINC000252475269 443025164 /nfs/dbraw/zinc/02/51/64/443025164.db2.gz XKSWMTFREFVELE-GOEBONIOSA-N 0 3 337.431 1.866 50 0 EDAAHN CN(C)[C@@H](CNC(=O)CN1CC[C@@]2(CCOC2)C1)c1ccccc1 ZINC000195566957 443032664 /nfs/dbraw/zinc/03/26/64/443032664.db2.gz 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/nfs/dbraw/zinc/42/92/05/443429205.db2.gz NDIAYPSXINNSCD-LLVKDONJSA-N 0 3 342.447 1.807 50 0 EDAAHN CCCN1CCN(c2ccccc2CNCc2cnnn2C)CC1 ZINC000342260667 444595761 /nfs/dbraw/zinc/59/57/61/444595761.db2.gz HCFWVVRAODXKHD-UHFFFAOYSA-N 0 3 328.464 1.637 50 0 EDAAHN CN(C[C@H](O)CN(C)[C@H](CCO)c1ccccc1)CC(F)(F)F ZINC000408519059 447672495 /nfs/dbraw/zinc/67/24/95/447672495.db2.gz WIIMNAHGEZVZSS-LSDHHAIUSA-N 0 3 334.382 1.897 50 0 EDAAHN CO[C@](C)(C(=O)NC[C@@]1(O)CN2CCC1CC2)c1ccccc1F ZINC000408518284 447672569 /nfs/dbraw/zinc/67/25/69/447672569.db2.gz YURXEYKUCGRAHE-ZWKOTPCHSA-N 0 3 336.407 1.260 50 0 EDAAHN CN(Cc1ccccc1)S(=O)(=O)NCC[C@@H]1CCCN(C)C1 ZINC000534581909 448454422 /nfs/dbraw/zinc/45/44/22/448454422.db2.gz IWYVOZDAEIWFIN-INIZCTEOSA-N 0 3 325.478 1.685 50 0 EDAAHN CC[C@@H](O)CN1CCN(C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000639503140 451909127 /nfs/dbraw/zinc/90/91/27/451909127.db2.gz BNEVFIUJSSUDBN-UXHICEINSA-N 0 3 347.503 1.012 50 0 EDAAHN O[C@@]1(CN2CCCC2)COCCN(c2nc(-c3ccccc3)no2)C1 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CN1CCN(C(=O)CCN2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000225772167 536402433 /nfs/dbraw/zinc/40/24/33/536402433.db2.gz QGXNEAMJJOKDPS-KRWDZBQOSA-N 0 3 335.423 1.443 50 0 EDAAHN CN1CCN(C[C@@H]2CCCN(C(=O)CCc3cccc(O)c3)C2)CC1 ZINC000215041781 536414113 /nfs/dbraw/zinc/41/41/13/536414113.db2.gz VUBUOYBCTLZNIU-SFHVURJKSA-N 0 3 345.487 1.811 50 0 EDAAHN O=C(Oc1ccccc1)N1CCCN(C[C@@]2(O)CCCOC2)CC1 ZINC000851771582 595916748 /nfs/dbraw/zinc/91/67/48/595916748.db2.gz JKKXLHYBSRLANA-SFHVURJKSA-N 0 3 334.416 1.735 50 0 EDAAHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)NC[C@@]1(C)CCOC1 ZINC000864096530 596754275 /nfs/dbraw/zinc/75/42/75/596754275.db2.gz CZDJLQMKLHNVPD-DOTOQJQBSA-N 0 3 339.480 1.698 50 0 EDAAHN OCCOc1ccccc1CN1CCCO[C@H](CN2CCCC2)C1 ZINC000097619418 219041958 /nfs/dbraw/zinc/04/19/58/219041958.db2.gz YBJTYKYRGVARDG-GOSISDBHSA-N 0 3 334.460 1.744 50 0 EDAAHN C[C@H](NC(=O)[C@H](C)N1CC[C@H](C(N)=O)C1)c1ccc2c(c1)CCCC2 ZINC000052961344 214157097 /nfs/dbraw/zinc/15/70/97/214157097.db2.gz 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CN(Cc1ccccc1)C[C@H](O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000069375986 215392304 /nfs/dbraw/zinc/39/23/04/215392304.db2.gz SXEBFMPVWZSEIN-OALUTQOASA-N 0 3 344.459 1.077 50 0 EDAAHN CC(C(=O)N1CCCC1)S(=O)(=O)Cc1nc(-c2ccccc2)no1 ZINC000040528642 213337485 /nfs/dbraw/zinc/33/74/85/213337485.db2.gz UIFZQBAPHCWRNH-GFCCVEGCSA-N 0 3 349.412 1.662 50 0 EDAAHN Cc1nc([C@H]2CCCN(C(=O)C(C)S(=O)(=O)C(C)C)C2)no1 ZINC000072231772 216071982 /nfs/dbraw/zinc/07/19/82/216071982.db2.gz DYWBJYKUHVOTIJ-JQWIXIFHSA-N 0 3 329.422 1.296 50 0 EDAAHN C[C@H](NC[C@@H](c1cccs1)N1CCOCC1)C(=O)N1CCCC1 ZINC000072314837 216149173 /nfs/dbraw/zinc/14/91/73/216149173.db2.gz AQCNRNBMFZAHKS-GJZGRUSLSA-N 0 3 337.489 1.722 50 0 EDAAHN O=C(CCn1cnnn1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072422488 216212125 /nfs/dbraw/zinc/21/21/25/216212125.db2.gz ZFYLBDSFHRMPDP-UHFFFAOYSA-N 0 3 344.463 1.176 50 0 EDAAHN c1cn(-c2cccc(-n3cncn3)c2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072423852 216213529 /nfs/dbraw/zinc/21/35/29/216213529.db2.gz 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CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccnc1N1CCOCC1 ZINC000248087076 442880894 /nfs/dbraw/zinc/88/08/94/442880894.db2.gz BKRIKYFYGQSWNY-IAGOWNOFSA-N 0 3 344.459 1.617 50 0 EDAAHN C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000248152988 442885141 /nfs/dbraw/zinc/88/51/41/442885141.db2.gz AOSKQSQGUWJLJF-YDHLFZDLSA-N 0 3 341.415 1.211 50 0 EDAAHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000249133425 442955755 /nfs/dbraw/zinc/95/57/55/442955755.db2.gz DJBGDJWYFCCGTP-OLZOCXBDSA-N 0 3 337.370 1.989 50 0 EDAAHN COC(=O)[C@@H]1C[C@@H](O)[C@@H](N2CCC(N(C)c3ccccc3)CC2)C1 ZINC000195535712 443030126 /nfs/dbraw/zinc/03/01/26/443030126.db2.gz MWXZCIWSPROVKE-JCGIZDLHSA-N 0 3 332.444 1.900 50 0 EDAAHN COc1cc(C(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)ccc1F ZINC000221388968 443071218 /nfs/dbraw/zinc/07/12/18/443071218.db2.gz WSWSNCFPHFRAIH-HNNXBMFYSA-N 0 3 349.450 1.934 50 0 EDAAHN [NH3+]CC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000225477619 443107051 /nfs/dbraw/zinc/10/70/51/443107051.db2.gz 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/nfs/dbraw/zinc/46/01/93/448460193.db2.gz QOYHNYXUFLYXEO-IRXDYDNUSA-N 0 3 332.444 1.570 50 0 EDAAHN Cc1cccc2[nH]c(CCN[C@H](C)CNS(=O)(=O)C3CC3)nc21 ZINC000584895240 448667758 /nfs/dbraw/zinc/66/77/58/448667758.db2.gz IPPQEEVRXXGJCO-GFCCVEGCSA-N 0 3 336.461 1.474 50 0 EDAAHN CC(C)(C)CN1CCC[C@H](N2CC[C@@H](c3cc(=O)[nH]c(N)n3)C2)C1=O ZINC000585116085 448696332 /nfs/dbraw/zinc/69/63/32/448696332.db2.gz GYZOPTURWMSEQA-OCCSQVGLSA-N 0 3 347.463 1.591 50 0 EDAAHN COc1ccnc(N2CCN(C(=O)[C@@H]3CCCc4c[nH]nc43)CC2)c1 ZINC000083984319 486240142 /nfs/dbraw/zinc/24/01/42/486240142.db2.gz TUDBWDOVMAIUAN-OAHLLOKOSA-N 0 3 341.415 1.582 50 0 EDAAHN CN1CCC(N2CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)CC1 ZINC000215577394 536339641 /nfs/dbraw/zinc/33/96/41/536339641.db2.gz UTQRLCPTWBTTIY-UHFFFAOYSA-N 0 3 337.414 1.746 50 0 EDAAHN Cn1cc(CN2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)cn1 ZINC000012054270 710365823 /nfs/dbraw/zinc/36/58/23/710365823.db2.gz PCAJDYXYGTXGFT-MRXNPFEDSA-N 0 3 333.480 1.186 50 0 EDAAHN C[C@@H](N(C)CC(=O)NCc1ccc(OCC(N)=O)cc1)C(C)(C)C ZINC000052557688 214133472 /nfs/dbraw/zinc/13/34/72/214133472.db2.gz QUPMUGYOKKNTQC-CYBMUJFWSA-N 0 3 335.448 1.533 50 0 EDAAHN CNC(=O)NC(=O)CCN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000053232312 214171556 /nfs/dbraw/zinc/17/15/56/214171556.db2.gz BPSDXFKEMXYMSX-OAHLLOKOSA-N 0 3 337.395 1.652 50 0 EDAAHN Cn1cnnc1CC1CCN(Cc2ccccc2OCCO)CC1 ZINC000055211373 214288524 /nfs/dbraw/zinc/28/85/24/214288524.db2.gz OVULYGBERPXXCF-UHFFFAOYSA-N 0 3 330.432 1.641 50 0 EDAAHN COCCN(C(=O)CCC(=O)NC1CCCC1)C1CCN(C)CC1 ZINC000055343179 214310121 /nfs/dbraw/zinc/31/01/21/214310121.db2.gz ACDONGXDGSCQEK-UHFFFAOYSA-N 0 3 339.480 1.395 50 0 EDAAHN COC(=O)c1ccc([C@H](N)[C@@H](N)c2ccc(C(=O)OC)cc2)cc1 ZINC000098073366 219078891 /nfs/dbraw/zinc/07/88/91/219078891.db2.gz JAJUJYTZXAOLOG-HOTGVXAUSA-N 0 3 328.368 1.960 50 0 EDAAHN O=C(CC1CCCC1)NCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000101387002 219125320 /nfs/dbraw/zinc/12/53/20/219125320.db2.gz VRVBNGKEJSALTF-INIZCTEOSA-N 0 3 334.464 1.339 50 0 EDAAHN O=C(NCCN1CCCCC1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000047140352 213832804 /nfs/dbraw/zinc/83/28/04/213832804.db2.gz RDNGRAOBAVJRQR-UHFFFAOYSA-N 0 3 344.459 1.536 50 0 EDAAHN CNC(=O)Cc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000102716926 219224675 /nfs/dbraw/zinc/22/46/75/219224675.db2.gz VXKKPJWLPGERAE-MRXNPFEDSA-N 0 3 328.416 1.453 50 0 EDAAHN CCn1ccc(CC(=O)N[C@@H]2C[C@@]3(CN(C)[C@@H]3C(C)C)C[C@H]2O)n1 ZINC000685941742 539581215 /nfs/dbraw/zinc/58/12/15/539581215.db2.gz HRLFYEMEKKOGQG-AHCXZYCDSA-N 0 3 334.464 1.041 50 0 EDAAHN CO[C@H]1C[C@@H](CN(C)C)N(c2cc(NCc3ncc(C)o3)ncn2)C1 ZINC000685943127 539582709 /nfs/dbraw/zinc/58/27/09/539582709.db2.gz WLJFXHDMFRTMRW-KBPBESRZSA-N 0 3 346.435 1.540 50 0 EDAAHN Nc1cc(C(=O)NC[C@@H]2CCN(Cc3cccc(O)c3)C2)ccn1 ZINC000067756857 215205150 /nfs/dbraw/zinc/20/51/50/215205150.db2.gz ONJQIGFINKTLCB-AWEZNQCLSA-N 0 3 326.400 1.621 50 0 EDAAHN CNC(=O)[C@H]1CCN(Cc2cccc(C(=O)Nc3cnn(C)c3)c2)C1 ZINC000067908272 215247430 /nfs/dbraw/zinc/24/74/30/215247430.db2.gz BZXIJSYIWYHTNV-HNNXBMFYSA-N 0 3 341.415 1.240 50 0 EDAAHN CCn1c(CC2CCN(Cc3c(C)n[nH]c3C)CC2)nn(C)c1=O ZINC000067947896 215258182 /nfs/dbraw/zinc/25/81/82/215258182.db2.gz LZEXRSJZWIDXQT-UHFFFAOYSA-N 0 3 332.452 1.396 50 0 EDAAHN CCN(Cc1ccccc1)C(=O)C(C)S(=O)(=O)c1nncn1C ZINC000040539992 213342533 /nfs/dbraw/zinc/34/25/33/213342533.db2.gz LVNAFFVAINNCAC-GFCCVEGCSA-N 0 3 336.417 1.026 50 0 EDAAHN CCN1CCN(Cc2ccc(CNC(=O)c3cnccn3)cc2)CC1 ZINC000040538574 213341116 /nfs/dbraw/zinc/34/11/16/213341116.db2.gz RTOZTJDULZHBNB-UHFFFAOYSA-N 0 3 339.443 1.544 50 0 EDAAHN COc1cccc(CS(=O)(=O)C(C)C(=O)NC[C@H]2CCCO2)c1 ZINC000040528806 213337036 /nfs/dbraw/zinc/33/70/36/213337036.db2.gz FDUVFAIDGNXUAM-SWLSCSKDSA-N 0 3 341.429 1.294 50 0 EDAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1nnc(-c2ccnn2C)o1 ZINC000038488070 213210315 /nfs/dbraw/zinc/21/03/15/213210315.db2.gz FNCRWRQRLLOFCK-RNCFNFMXSA-N 0 3 341.327 1.637 50 0 EDAAHN Cc1cnn(CCNCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000072253069 216083641 /nfs/dbraw/zinc/08/36/41/216083641.db2.gz YGMMWQAKFGZMJY-AWEZNQCLSA-N 0 3 344.415 1.430 50 0 EDAAHN c1cc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)cc(N2CCNCC2)c1 ZINC000072409510 216200546 /nfs/dbraw/zinc/20/05/46/216200546.db2.gz LVMMOPIIIMUYLU-VQTJNVASSA-N 0 3 345.487 1.519 50 0 EDAAHN CNc1nc(C)cc(N2CCN(Cc3ccccc3)[C@H](CCO)C2)n1 ZINC000072422521 216212284 /nfs/dbraw/zinc/21/22/84/216212284.db2.gz IMBYBJFXQSSNMF-QGZVFWFLSA-N 0 3 341.459 1.900 50 0 EDAAHN COc1ccnc(CN2CCN(CC(C)C)[C@@H](CCO)C2)c1OC ZINC000072473046 216250210 /nfs/dbraw/zinc/25/02/10/216250210.db2.gz ZYJSOAYUIKPOEA-HNNXBMFYSA-N 0 3 337.464 1.623 50 0 EDAAHN CN1C[C@]2(CCN(C3CCN(C(=O)c4ccccn4)CC3)C2)OC1=O ZINC000072473918 216251543 /nfs/dbraw/zinc/25/15/43/216251543.db2.gz UPNHKPABTSVSFL-SFHVURJKSA-N 0 3 344.415 1.213 50 0 EDAAHN CC(C)C(=O)NCC(=O)N(C)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000072480481 216259736 /nfs/dbraw/zinc/25/97/36/216259736.db2.gz ZQIHZJGAZBTBAO-SFHVURJKSA-N 0 3 345.487 1.924 50 0 EDAAHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H](O)C3)CC2)c1 ZINC000072884993 216323665 /nfs/dbraw/zinc/32/36/65/216323665.db2.gz CJQLVJAAXVIOHE-GOSISDBHSA-N 0 3 331.460 1.490 50 0 EDAAHN COc1cc(CN2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)ccc1F ZINC000023372926 212372589 /nfs/dbraw/zinc/37/25/89/212372589.db2.gz VOGWTJWHEYJJKH-IAGOWNOFSA-N 0 3 337.439 1.017 50 0 EDAAHN CC(=O)N1CCN(C(=O)CCNCc2cc(Cl)cs2)CC1 ZINC000193094749 240017522 /nfs/dbraw/zinc/01/75/22/240017522.db2.gz WBEXAVLCRWXVPT-UHFFFAOYSA-N 0 3 329.853 1.572 50 0 EDAAHN Cc1nn(C)cc1NC(=O)CN1CCC(N2CCSCC2)CC1 ZINC000244594130 243042039 /nfs/dbraw/zinc/04/20/39/243042039.db2.gz DGWMXDZWLRDMBM-UHFFFAOYSA-N 0 3 337.493 1.180 50 0 EDAAHN CCN1CCN(CCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000078394315 217046921 /nfs/dbraw/zinc/04/69/21/217046921.db2.gz ISHQELDYRYTJFG-HNNXBMFYSA-N 0 3 347.459 1.663 50 0 EDAAHN CC(=O)c1ccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cc1 ZINC000078648516 217094627 /nfs/dbraw/zinc/09/46/27/217094627.db2.gz LUJHYXFFMVEYDB-MRXNPFEDSA-N 0 3 333.432 1.920 50 0 EDAAHN CC1(C)NC(=O)N(CCN2CCC[C@H]2COc2ccccc2)C1=O ZINC000079090804 217190324 /nfs/dbraw/zinc/19/03/24/217190324.db2.gz PSURMIYGCLRFJL-AWEZNQCLSA-N 0 3 331.416 1.860 50 0 EDAAHN O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCN2CCC[C@@H]2C1 ZINC000012206929 211321429 /nfs/dbraw/zinc/32/14/29/211321429.db2.gz XIQRZRVAKVJOFH-CQSZACIVSA-N 0 3 345.834 1.900 50 0 EDAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cc[nH]n1)CC2 ZINC000091655810 218040625 /nfs/dbraw/zinc/04/06/25/218040625.db2.gz JMCIMTBYDGFTNG-UHFFFAOYSA-N 0 3 342.447 1.923 50 0 EDAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccn[nH]1)CC2 ZINC000091655810 218040628 /nfs/dbraw/zinc/04/06/28/218040628.db2.gz JMCIMTBYDGFTNG-UHFFFAOYSA-N 0 3 342.447 1.923 50 0 EDAAHN CCN1CC[C@]2(CN(Cc3csc(C)n3)CCN2C)CCC1=O ZINC000095370075 218303058 /nfs/dbraw/zinc/30/30/58/218303058.db2.gz AXZZTJWOLWEUMV-KRWDZBQOSA-N 0 3 336.505 1.970 50 0 EDAAHN CS[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccs2)C[C@@H]1N(C)C ZINC000095444681 218389064 /nfs/dbraw/zinc/38/90/64/218389064.db2.gz 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C[C@H]1CCCN(CCNC(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000048079916 441256869 /nfs/dbraw/zinc/25/68/69/441256869.db2.gz UKOWJEFWKPDGEV-HNNXBMFYSA-N 0 3 347.463 1.772 50 0 EDAAHN CN(C)[C@H]1CCCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1 ZINC000082109647 441334444 /nfs/dbraw/zinc/33/44/44/441334444.db2.gz FSXCHTOPXNKHBS-ZDUSSCGKSA-N 0 3 345.365 1.810 50 0 EDAAHN Cc1cn2cc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)ccc2n1 ZINC000082139065 441337050 /nfs/dbraw/zinc/33/70/50/441337050.db2.gz XXTGLCOKXFWAAT-MRXNPFEDSA-N 0 3 330.432 1.826 50 0 EDAAHN NC(=O)CCN(Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1 ZINC000025303164 441339226 /nfs/dbraw/zinc/33/92/26/441339226.db2.gz UWAYIOXOROUSAS-KRWDZBQOSA-N 0 3 346.402 1.943 50 0 EDAAHN O=C1OCC[C@@H]1NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063143429 441316701 /nfs/dbraw/zinc/31/67/01/441316701.db2.gz HCENPQAKBNZCED-HNNXBMFYSA-N 0 3 333.457 1.431 50 0 EDAAHN CC[C@H]1CN(Cc2csc(-c3cnn(C)c3)n2)CCN1C[C@H](C)O ZINC000106906870 441388326 /nfs/dbraw/zinc/38/83/26/441388326.db2.gz JVSPZLBVYQBEDB-BBRMVZONSA-N 0 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CCN1CCCN(C(=O)NCc2cn(-c3ccccc3)nn2)CC1 ZINC000095971457 441964313 /nfs/dbraw/zinc/96/43/13/441964313.db2.gz VQAUYCVHBPGFSG-UHFFFAOYSA-N 0 3 328.420 1.505 50 0 EDAAHN C[C@H](NC(=O)NC1CCN(CCc2ccncc2)CC1)[C@H]1CCCO1 ZINC000069700789 442014830 /nfs/dbraw/zinc/01/48/30/442014830.db2.gz IISHIWGTJNMEEX-MAUKXSAKSA-N 0 3 346.475 1.955 50 0 EDAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000069706520 442018563 /nfs/dbraw/zinc/01/85/63/442018563.db2.gz GODMHAQOPIJDBL-HOTGVXAUSA-N 0 3 340.427 1.632 50 0 EDAAHN O=S(=O)(c1ccc(F)c(F)c1)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000096099713 442026952 /nfs/dbraw/zinc/02/69/52/442026952.db2.gz XJSZLYTUVZLUHU-GFCCVEGCSA-N 0 3 346.399 1.185 50 0 EDAAHN CN(C(=O)CN[C@@H]1CCc2ncnn2C1)[C@H]1CCCc2ccccc21 ZINC000069740420 442027069 /nfs/dbraw/zinc/02/70/69/442027069.db2.gz PCIQUXZGHBXERC-WBVHZDCISA-N 0 3 339.443 1.719 50 0 EDAAHN CN1CCO[C@@H](CNC[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000069776680 442037714 /nfs/dbraw/zinc/03/77/14/442037714.db2.gz 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Cc1ccc(CN2CCC[C@@H](Cn3cc(CNC(N)=O)nn3)C2)s1 ZINC000020859465 212176460 /nfs/dbraw/zinc/17/64/60/212176460.db2.gz FLVIAVDBPKYHGH-CYBMUJFWSA-N 0 3 348.476 1.729 50 0 EDAAHN COc1ccc(OCCNCC(=O)NCc2ccccc2OC)cc1 ZINC000016695478 211929765 /nfs/dbraw/zinc/92/97/65/211929765.db2.gz YDIKBRASJUKNOG-UHFFFAOYSA-N 0 3 344.411 1.989 50 0 EDAAHN COc1cccc(C[C@H](C)NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000079036385 217178361 /nfs/dbraw/zinc/17/83/61/217178361.db2.gz INFREFJVDBIQKN-LESCRADOSA-N 0 3 347.459 1.789 50 0 EDAAHN CCNc1ncc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(C)CC3)cn1 ZINC000091504580 218014913 /nfs/dbraw/zinc/01/49/13/218014913.db2.gz XIFHKARLQJUWEQ-SFHVURJKSA-N 0 3 346.479 1.037 50 0 EDAAHN CCn1ccc(CN2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)n1 ZINC000091444661 218006740 /nfs/dbraw/zinc/00/67/40/218006740.db2.gz XFHBUUJBMDYPQI-GOSISDBHSA-N 0 3 336.480 1.198 50 0 EDAAHN CC(C)c1nnsc1CN1CC[C@]2(C1)CCCN(CCO)C2=O ZINC000091504825 218015608 /nfs/dbraw/zinc/01/56/08/218015608.db2.gz HGEIDQKVPUVKDV-INIZCTEOSA-N 0 3 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/nfs/dbraw/zinc/07/50/96/443075096.db2.gz UEFITWMWCDTTBP-OKZBNKHCSA-N 0 3 337.464 1.603 50 0 EDAAHN O=C(CCCc1ccccc1)N[C@@H]1CN(C2CCOCC2)C[C@H]1CO ZINC000257192093 443121260 /nfs/dbraw/zinc/12/12/60/443121260.db2.gz QIEAZEGUOIRKRY-PKOBYXMFSA-N 0 3 346.471 1.597 50 0 EDAAHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000229557529 443129268 /nfs/dbraw/zinc/12/92/68/443129268.db2.gz UQGTTXCERDQHPC-GVDBMIGSSA-N 0 3 346.427 1.924 50 0 EDAAHN CC[C@H](C)n1nccc1NC(=O)[C@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000257365306 443158239 /nfs/dbraw/zinc/15/82/39/443158239.db2.gz HNWWIXAPRRYEKH-OBJOEFQTSA-N 0 3 345.451 1.686 50 0 EDAAHN O=C(NCCc1ccccc1)C1CCN(C[C@H]2COCCO2)CC1 ZINC000244899328 443217085 /nfs/dbraw/zinc/21/70/85/443217085.db2.gz ZHXOXGDLSFZXSU-SFHVURJKSA-N 0 3 332.444 1.473 50 0 EDAAHN Cc1nnc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)s1 ZINC000329964252 444789378 /nfs/dbraw/zinc/78/93/78/444789378.db2.gz UKBNJUXXXHXEPC-CQSZACIVSA-N 0 3 331.445 1.836 50 0 EDAAHN C[C@H]1CCSCCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000408514989 447669027 /nfs/dbraw/zinc/66/90/27/447669027.db2.gz XRSFZQDVIZIGKC-QWHCGFSZSA-N 0 3 334.441 1.471 50 0 EDAAHN Cc1c[nH]cc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000408522330 447672442 /nfs/dbraw/zinc/67/24/42/447672442.db2.gz HSGIDCJPKADUDL-HOCLYGCPSA-N 0 3 334.464 1.630 50 0 EDAAHN CC[NH+]1CCC(CNc2nc(C)[n-]c(=O)c2Cl)(N(C)C)CC1 ZINC000584903264 448672492 /nfs/dbraw/zinc/67/24/92/448672492.db2.gz CMUOIKXSKBOKKW-UHFFFAOYSA-N 0 3 327.860 1.972 50 0 EDAAHN CCN1CCC(CNc2nc(C)[n-]c(=O)c2Cl)([NH+](C)C)CC1 ZINC000584903264 448672497 /nfs/dbraw/zinc/67/24/97/448672497.db2.gz CMUOIKXSKBOKKW-UHFFFAOYSA-N 0 3 327.860 1.972 50 0 EDAAHN CC(=O)Nc1cc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)ccc1F ZINC000521394453 448979137 /nfs/dbraw/zinc/97/91/37/448979137.db2.gz JHCAJGTYUBHTQO-BONVTDFDSA-N 0 3 343.424 1.497 50 0 EDAAHN CNC(=O)COc1ccccc1CNC[C@@H]1CCCn2ccnc21 ZINC000083881837 486236694 /nfs/dbraw/zinc/23/66/94/486236694.db2.gz NOMWJWQEWLDRNF-HNNXBMFYSA-N 0 3 328.416 1.675 50 0 EDAAHN c1cn2c(n1)[C@@H](CNCc1cnc(N3CCOCC3)nc1)CCC2 ZINC000084613348 486272072 /nfs/dbraw/zinc/27/20/72/486272072.db2.gz BLOHNAYOWPQGAJ-OAHLLOKOSA-N 0 3 328.420 1.177 50 0 EDAAHN COc1cc(Cl)cc(C(=O)NCCN2CCCC[C@@H]2CO)c1 ZINC000670467805 486558778 /nfs/dbraw/zinc/55/87/78/486558778.db2.gz NQCUWQMGPOGLJK-CQSZACIVSA-N 0 3 326.824 1.925 50 0 EDAAHN Cc1cc(OC(F)F)c(C(=O)NC[C@H]2CCC3(CNC3)O2)s1 ZINC000888096598 591027388 /nfs/dbraw/zinc/02/73/88/591027388.db2.gz LQWLGSNTYVSMBH-SECBINFHSA-N 0 3 332.372 1.909 50 0 EDAAHN Cc1cc(CNC(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)on1 ZINC000864096522 596754147 /nfs/dbraw/zinc/75/41/47/596754147.db2.gz CQNBBVVYWXKDEV-CQSZACIVSA-N 0 3 336.436 1.768 50 0 EDAAHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccncc1 ZINC000188163394 529973405 /nfs/dbraw/zinc/97/34/05/529973405.db2.gz FQRMISGJABXXHG-LJQANCHMSA-N 0 3 325.412 1.791 50 0 EDAAHN O=C(NCCN1CCCCC1)C1CCN(C(=O)c2ccco2)CC1 ZINC000046855568 213812909 /nfs/dbraw/zinc/81/29/09/213812909.db2.gz YGFCWBVALLYNLO-UHFFFAOYSA-N 0 3 333.432 1.734 50 0 EDAAHN CN(C)C[C@@H]1COC2(CCCC2)CN1Cc1cc2c(cn1)OCCO2 ZINC000685943093 539582746 /nfs/dbraw/zinc/58/27/46/539582746.db2.gz DBGLGVLHKPXOHA-MRXNPFEDSA-N 0 3 347.459 1.928 50 0 EDAAHN COCCN1CCC(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)CC1 ZINC000067540213 215158387 /nfs/dbraw/zinc/15/83/87/215158387.db2.gz VNXBBSHKYWYGQG-UHFFFAOYSA-N 0 3 346.475 1.975 50 0 EDAAHN CCn1c(=O)[nH]nc1C1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000067697411 215189883 /nfs/dbraw/zinc/18/98/83/215189883.db2.gz ZUZRLADVECBPGK-UHFFFAOYSA-N 0 3 346.431 1.988 50 0 EDAAHN O=C1N(CCC2CCCCC2)CCC[C@@]1(O)CNCCn1cccn1 ZINC000067867892 215235088 /nfs/dbraw/zinc/23/50/88/215235088.db2.gz QRUQACZHYYHMLE-LJQANCHMSA-N 0 3 348.491 1.797 50 0 EDAAHN Cc1cnc(CN2C(=O)[C@H]3CN(Cc4ccccc4)C[C@@H]3C2=O)o1 ZINC000104380588 219382736 /nfs/dbraw/zinc/38/27/36/219382736.db2.gz UPKWOZQLNXDUFA-GJZGRUSLSA-N 0 3 325.368 1.600 50 0 EDAAHN CCN1C[C@@H](CN(C)C[C@H](O)Cn2cccn2)Oc2ccccc21 ZINC000069347565 215382120 /nfs/dbraw/zinc/38/21/20/215382120.db2.gz MZZXLUIYSIURKB-JKSUJKDBSA-N 0 3 330.432 1.463 50 0 EDAAHN CN(Cc1ccccc1)C[C@@H](O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000069375992 215392438 /nfs/dbraw/zinc/39/24/38/215392438.db2.gz SXEBFMPVWZSEIN-MOPGFXCFSA-N 0 3 344.459 1.077 50 0 EDAAHN Cc1ncc2c(c1CNC(=O)c1n[nH]c(=O)c3ccccc31)CCNC2 ZINC000072120898 216013254 /nfs/dbraw/zinc/01/32/54/216013254.db2.gz LBPQHEQGKSVSEI-UHFFFAOYSA-N 0 3 349.394 1.202 50 0 EDAAHN CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000072122472 216015062 /nfs/dbraw/zinc/01/50/62/216015062.db2.gz PSNZVLMWKDUXCE-MRXNPFEDSA-N 0 3 340.427 1.961 50 0 EDAAHN Cc1ncc2c(c1CNC(=O)c1nnc3n1CCCCC3)CCNC2 ZINC000072165050 216053815 /nfs/dbraw/zinc/05/38/15/216053815.db2.gz IGEWUOJHSJSQDM-UHFFFAOYSA-N 0 3 340.431 1.284 50 0 EDAAHN O=C(c1c[nH]c(=O)cn1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072418185 216206518 /nfs/dbraw/zinc/20/65/18/216206518.db2.gz OWQKCDFWWWSKIG-UHFFFAOYSA-N 0 3 338.411 1.433 50 0 EDAAHN O=C(NCCN1CCOCC1)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000193924142 240364216 /nfs/dbraw/zinc/36/42/16/240364216.db2.gz IUOLXZVLVWXSKG-GOSISDBHSA-N 0 3 346.475 1.140 50 0 EDAAHN Cc1nc(C)n(CCn2ccnc2-c2cc3n(n2)CCCNC3)n1 ZINC000072459077 216244269 /nfs/dbraw/zinc/24/42/69/216244269.db2.gz HWSKRHWIXPKSHL-UHFFFAOYSA-N 0 3 326.408 1.148 50 0 EDAAHN Cn1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)cn1 ZINC000072477674 216255190 /nfs/dbraw/zinc/25/51/90/216255190.db2.gz WIEZLEXQQOUPSF-DOTOQJQBSA-N 0 3 342.447 1.199 50 0 EDAAHN Cn1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cnc[nH]3)C2)cn1 ZINC000072477674 216255195 /nfs/dbraw/zinc/25/51/95/216255195.db2.gz WIEZLEXQQOUPSF-DOTOQJQBSA-N 0 3 342.447 1.199 50 0 EDAAHN COCCn1ccnc1CN1CCCO[C@H](CN2CCCCC2)C1 ZINC000216103162 241163104 /nfs/dbraw/zinc/16/31/04/241163104.db2.gz WIRXANPXBIVWBM-QGZVFWFLSA-N 0 3 336.480 1.606 50 0 EDAAHN O=C(Cc1ccc([O-])c(F)c1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000216193398 241170761 /nfs/dbraw/zinc/17/07/61/241170761.db2.gz VUQXEOZEPYPVAT-OAHLLOKOSA-N 0 3 336.407 1.787 50 0 EDAAHN CN(CCC(=O)NCc1cccc(Cl)c1)C[C@H]1COCCO1 ZINC000244584366 243040878 /nfs/dbraw/zinc/04/08/78/243040878.db2.gz CXZPXVDAMNFZJO-HNNXBMFYSA-N 0 3 326.824 1.694 50 0 EDAAHN CN(C)CCNC(=O)c1nnc(-c2cccc(Br)c2)o1 ZINC000020745182 212168380 /nfs/dbraw/zinc/16/83/80/212168380.db2.gz KQIVUHCLTOIMOK-UHFFFAOYSA-N 0 3 339.193 1.791 50 0 EDAAHN OCC[C@H]1CN(CCCn2cccn2)CCN1Cc1ccccc1F ZINC000020601596 212150950 /nfs/dbraw/zinc/15/09/50/212150950.db2.gz AZBOOEUTSOHFIS-SFHVURJKSA-N 0 3 346.450 1.981 50 0 EDAAHN CN1CCN([C@@H]2CCN(Cc3ccc(Cl)c(F)c3)C[C@H]2O)CC1 ZINC000020541020 212145699 /nfs/dbraw/zinc/14/56/99/212145699.db2.gz AUFFBJHLNOUYSS-IAGOWNOFSA-N 0 3 341.858 1.662 50 0 EDAAHN O=C1N(CCO)CCC[C@@]12CCN(Cc1ccc3nsnc3c1)C2 ZINC000091829821 218073212 /nfs/dbraw/zinc/07/32/12/218073212.db2.gz HVYOAUOWOIKJMN-KRWDZBQOSA-N 0 3 346.456 1.498 50 0 EDAAHN COCC(=O)N[C@H]1CN(C2CCOCC2)C[C@@H]1c1cccc(OC)c1 ZINC000091998176 218101738 /nfs/dbraw/zinc/10/17/38/218101738.db2.gz BARVXAVEXPUANW-MSOLQXFVSA-N 0 3 348.443 1.405 50 0 EDAAHN Cc1c(Cl)cccc1C(=O)N1C[C@H](CO)[C@H](CN(C)CCO)C1 ZINC000091965162 218096403 /nfs/dbraw/zinc/09/64/03/218096403.db2.gz SAHWPCSDZFLHNH-ZIAGYGMSSA-N 0 3 340.851 1.253 50 0 EDAAHN Cc1noc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000092064741 218113505 /nfs/dbraw/zinc/11/35/05/218113505.db2.gz WSBZAPJGTRVXFE-SFHVURJKSA-N 0 3 347.463 1.287 50 0 EDAAHN Cc1nc([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)cc(=O)[n-]1 ZINC000095357837 218291353 /nfs/dbraw/zinc/29/13/53/218291353.db2.gz KHEDQWABHKMDDT-MRXNPFEDSA-N 0 3 346.475 1.905 50 0 EDAAHN CC1(C)C[C@@H](NCCNS(=O)(=O)c2ccccc2)C(C)(C)O1 ZINC000095421136 218363578 /nfs/dbraw/zinc/36/35/78/218363578.db2.gz GINWRWFHTLVAKF-CQSZACIVSA-N 0 3 326.462 1.901 50 0 EDAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)Cc2ccccn2)CC1 ZINC000299778208 258087592 /nfs/dbraw/zinc/08/75/92/258087592.db2.gz ILKLMTVWUHITTN-SFHVURJKSA-N 0 3 330.476 1.643 50 0 EDAAHN CN1CCC(N2CCC[C@H]2C(=O)N2CCOc3ccccc3C2)CC1 ZINC000299766730 258081440 /nfs/dbraw/zinc/08/14/40/258081440.db2.gz KSRQTALEUZSEBV-SFHVURJKSA-N 0 3 343.471 1.966 50 0 EDAAHN CC[C@@H](O)CN1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000123595386 287388977 /nfs/dbraw/zinc/38/89/77/287388977.db2.gz FRPZWELSLQGIIX-QGZVFWFLSA-N 0 3 329.448 1.371 50 0 EDAAHN CC1(C)Cc2c(sc3nc(N4CCNCC4)n4ncnc4c23)CO1 ZINC000002216939 275871391 /nfs/dbraw/zinc/87/13/91/275871391.db2.gz XGXRMDSUCPRTGW-UHFFFAOYSA-N 0 3 344.444 1.600 50 0 EDAAHN CCC[C@@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000095422604 276269760 /nfs/dbraw/zinc/26/97/60/276269760.db2.gz NRBCVHRNTQKRPM-OAHLLOKOSA-N 0 3 339.505 1.901 50 0 EDAAHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H](N)c2ccccc2)C[C@@H](C)O1 ZINC000237408334 297016126 /nfs/dbraw/zinc/01/61/26/297016126.db2.gz IXPPVLUIMWVHBC-LMSBXDPUSA-N 0 3 331.460 1.787 50 0 EDAAHN Cc1cc(NC(=O)NC[C@@H](CN(C)C)[C@H](O)c2ccccc2)n(C)n1 ZINC000043432643 301353531 /nfs/dbraw/zinc/35/35/31/301353531.db2.gz VQCQNJDJJSRLID-DOTOQJQBSA-N 0 3 345.447 1.761 50 0 EDAAHN CN(C(=O)NCC1CCN(CCO)CC1)[C@@H](c1ccccn1)C1CC1 ZINC000426361299 447425345 /nfs/dbraw/zinc/42/53/45/447425345.db2.gz PGSLFYBHEMGKEY-GOSISDBHSA-N 0 3 346.475 1.878 50 0 EDAAHN CCS(=O)(=O)N1CCC(C(=O)NCCN2CCCC[C@H]2C)CC1 ZINC000000262539 440811282 /nfs/dbraw/zinc/81/12/82/440811282.db2.gz HBHSCOKLORZUMF-CQSZACIVSA-N 0 3 345.509 1.039 50 0 EDAAHN O=c1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)[nH]c(=O)[nH]1 ZINC000044933942 440912996 /nfs/dbraw/zinc/91/29/96/440912996.db2.gz WEVACXZTXOPIBI-LLVKDONJSA-N 0 3 326.356 1.584 50 0 EDAAHN O=C(CCN1C(=O)COc2ccccc21)NCCN1CCCCCC1 ZINC000002934047 440884250 /nfs/dbraw/zinc/88/42/50/440884250.db2.gz AWYAUWYBALIDPK-UHFFFAOYSA-N 0 3 345.443 1.794 50 0 EDAAHN O=C(NCCn1ccnc1)NCC1(N2CCSCC2)CCCC1 ZINC000044966616 440928193 /nfs/dbraw/zinc/92/81/93/440928193.db2.gz UAKFBPWFRUFWNG-UHFFFAOYSA-N 0 3 337.493 1.544 50 0 EDAAHN Cn1nnnc1SCCNCc1ccc(Br)cc1 ZINC000006702265 441008997 /nfs/dbraw/zinc/00/89/97/441008997.db2.gz NZRBDLCVIPFIPD-UHFFFAOYSA-N 0 3 328.239 1.855 50 0 EDAAHN COCCN(CCOC)C[C@@H](O)COCc1ccc(OC)cc1 ZINC000006936572 441026699 /nfs/dbraw/zinc/02/66/99/441026699.db2.gz QYXWCSBBONNTEK-MRXNPFEDSA-N 0 3 327.421 1.168 50 0 EDAAHN Cn1c2ccc(CNC[C@H](O)c3cccc(O)c3)cc2n(C)c1=O ZINC000057291996 441105974 /nfs/dbraw/zinc/10/59/74/441105974.db2.gz BYVUNQNCHYGHAJ-KRWDZBQOSA-N 0 3 327.384 1.406 50 0 EDAAHN CC(C)NC(=O)C(C)S(=O)(=O)Cc1nc(-c2ccccc2)no1 ZINC000046116788 441083467 /nfs/dbraw/zinc/08/34/67/441083467.db2.gz RNQFHZFIDKSDAI-NSHDSACASA-N 0 3 337.401 1.565 50 0 EDAAHN Cc1ccc([C@](C)(O)CN2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000071186205 441142050 /nfs/dbraw/zinc/14/20/50/441142050.db2.gz SEGHXWYAULHDSU-NVXWUHKLSA-N 0 3 340.489 1.464 50 0 EDAAHN CC(C)CN(CCN(C)C)C(=O)CCn1ncc(=O)c2ccccc21 ZINC000071853857 441170417 /nfs/dbraw/zinc/17/04/17/441170417.db2.gz LWGSZAKZGZKFJF-UHFFFAOYSA-N 0 3 344.459 1.833 50 0 EDAAHN C[C@@H](NC(=O)CNC[C@H]1CCCN1c1cccnn1)c1ccccc1 ZINC000071859847 441172253 /nfs/dbraw/zinc/17/22/53/441172253.db2.gz ASIRMQAVKVQNMD-NVXWUHKLSA-N 0 3 339.443 1.912 50 0 EDAAHN Cc1cc(C)n(C[C@H]2CCCCN2C(=O)C(C)S(C)(=O)=O)n1 ZINC000071865526 441174942 /nfs/dbraw/zinc/17/49/42/441174942.db2.gz RTTQMKRJYGVEJO-UONOGXRCSA-N 0 3 327.450 1.314 50 0 EDAAHN Cc1cc(C)n(C[C@H](C)NCc2c(C)nn(C)c2N2CCOCC2)n1 ZINC000058404222 441190699 /nfs/dbraw/zinc/19/06/99/441190699.db2.gz JMEKZBVXHJDMPA-AWEZNQCLSA-N 0 3 346.479 1.557 50 0 EDAAHN Cc1nc(-c2ccc(CNC[C@@H](O)CN3CCOCC3)cc2)cs1 ZINC000058327552 441179807 /nfs/dbraw/zinc/17/98/07/441179807.db2.gz ASRFHPKVECAYIL-QGZVFWFLSA-N 0 3 347.484 1.901 50 0 EDAAHN COCCN(CCNc1cnn(C)c(=O)c1Br)C1CC1 ZINC000071903121 441190997 /nfs/dbraw/zinc/19/09/97/441190997.db2.gz SWONURHTOLAWRE-UHFFFAOYSA-N 0 3 345.241 1.066 50 0 EDAAHN CN(C)CCN(C(=O)c1cnc2n(c1=O)CCS2)c1ccccc1 ZINC000058169372 441155436 /nfs/dbraw/zinc/15/54/36/441155436.db2.gz FRRSODAZSLYFMQ-UHFFFAOYSA-N 0 3 344.440 1.557 50 0 EDAAHN 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443030948 /nfs/dbraw/zinc/03/09/48/443030948.db2.gz IVPQNTNWXWFWGV-GOSISDBHSA-N 0 3 348.466 1.547 50 0 EDAAHN CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1n[nH]c2c1CCCC2 ZINC000223526415 443090796 /nfs/dbraw/zinc/09/07/96/443090796.db2.gz WFJMFADONCMOCA-QRVDHSFSSA-N 0 3 332.448 1.055 50 0 EDAAHN CN1CCN(CCNC(=O)COc2ccccc2Cl)CC1(C)C ZINC000225671287 443117515 /nfs/dbraw/zinc/11/75/15/443117515.db2.gz YTXAUUJBHFRLPY-UHFFFAOYSA-N 0 3 339.867 1.861 50 0 EDAAHN Cc1ccc(CN2CCC(N3C[C@H](O)C[C@H]3C(=O)N(C)C)CC2)o1 ZINC000257176942 443118054 /nfs/dbraw/zinc/11/80/54/443118054.db2.gz VDZSVXMAYZDIFS-WBVHZDCISA-N 0 3 335.448 1.076 50 0 EDAAHN CC(=O)N1CCN([C@@H]2CN(C[C@@H](O)c3ccccc3)C[C@@H]2C)CC1 ZINC000229307103 443126230 /nfs/dbraw/zinc/12/62/30/443126230.db2.gz KOVVEVYJGLNANE-KFKAGJAMSA-N 0 3 331.460 1.204 50 0 EDAAHN C[C@H](C(=O)NC[C@H]1COC2(CCOCC2)O1)N1[C@H](C)CC[C@@H]1C ZINC000245561025 443236838 /nfs/dbraw/zinc/23/68/38/443236838.db2.gz KAMSETAXZQRFSE-BARDWOONSA-N 0 3 326.437 1.286 50 0 EDAAHN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cccc(CN)c1 ZINC000239672681 443200607 /nfs/dbraw/zinc/20/06/07/443200607.db2.gz BURULILNRLLSIA-CYBMUJFWSA-N 0 3 336.395 1.674 50 0 EDAAHN CN1CCN(Cc2nnnn2CC(F)(F)F)C2(CCCCC2)C1 ZINC000190927212 443211144 /nfs/dbraw/zinc/21/11/44/443211144.db2.gz MBTSLBPJUSEUTQ-UHFFFAOYSA-N 0 3 332.374 1.686 50 0 EDAAHN CC(=O)N[C@@H]1CCCN(CCC(=O)Nc2cc(F)ccc2F)C1 ZINC000244899984 443216716 /nfs/dbraw/zinc/21/67/16/443216716.db2.gz ZTVUEJYWJBHJLF-CYBMUJFWSA-N 0 3 325.359 1.894 50 0 EDAAHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)NC[C@@]1(O)CCOC1 ZINC000246054354 443264275 /nfs/dbraw/zinc/26/42/75/443264275.db2.gz BBDLLMLWPBOUFB-HKUYNNGSSA-N 0 3 347.459 1.492 50 0 EDAAHN Cc1nc2ccccc2c(=O)n1CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000408512910 447667510 /nfs/dbraw/zinc/66/75/10/447667510.db2.gz SDTNTYHNZGJXIT-QGZVFWFLSA-N 0 3 340.427 1.258 50 0 EDAAHN CCC(CC)n1ncc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1C ZINC000408517560 447671292 /nfs/dbraw/zinc/67/12/92/447671292.db2.gz KOEBHFJLXZPZLU-CVEARBPZSA-N 0 3 334.464 1.834 50 0 EDAAHN O=C(NCCOc1ccccc1)NCC1CCN([C@@H]2CCOC2)CC1 ZINC000575609118 447870297 /nfs/dbraw/zinc/87/02/97/447870297.db2.gz YJNGBYCPRLFNAX-QGZVFWFLSA-N 0 3 347.459 1.866 50 0 EDAAHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Nc2ccc(C3CC3)nn2)C1 ZINC000556761317 448151092 /nfs/dbraw/zinc/15/10/92/448151092.db2.gz YTRVRCHXIOWVJT-GJZGRUSLSA-N 0 3 345.447 2.071 50 0 EDAAHN CCN1CCC[C@@H](NC(=O)N2CCOc3ccc(CO)cc3C2)C1 ZINC000534575314 448452970 /nfs/dbraw/zinc/45/29/70/448452970.db2.gz SLLCSLPYLVCTAG-MRXNPFEDSA-N 0 3 333.432 1.567 50 0 EDAAHN CC(C)CN1CCN(C(=O)CN(C)Cc2ccccc2)C[C@H]1CCO ZINC000584901372 448672103 /nfs/dbraw/zinc/67/21/03/448672103.db2.gz ASUJARPDJHHYDO-LJQANCHMSA-N 0 3 347.503 1.670 50 0 EDAAHN C[C@H]1CCC[C@@](N)(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000170048776 486168852 /nfs/dbraw/zinc/16/88/52/486168852.db2.gz AZWPOIGUCHEXSJ-GUYCJALGSA-N 0 3 338.473 1.755 50 0 EDAAHN CN1CCC[C@@H](NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000083877758 486236475 /nfs/dbraw/zinc/23/64/75/486236475.db2.gz MUGOFYWEYBCRHW-LZUXJJCOSA-N 0 3 333.476 1.529 50 0 EDAAHN CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(CCCc2cn[nH]c2)C1 ZINC000084304152 486256547 /nfs/dbraw/zinc/25/65/47/486256547.db2.gz AARQDSKTMJVLFD-MRXNPFEDSA-N 0 3 343.479 1.555 50 0 EDAAHN Cn1cc([C@@H]2OCC[C@H]2CNCc2cnc(N3CCCC3)nc2)cn1 ZINC000084317564 486258287 /nfs/dbraw/zinc/25/82/87/486258287.db2.gz YUHOQIMRQPCTAG-DOTOQJQBSA-N 0 3 342.447 1.678 50 0 EDAAHN Cc1ccccc1CCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 ZINC000084695320 486278398 /nfs/dbraw/zinc/27/83/98/486278398.db2.gz LZBKPZGANLADOZ-ROUUACIJSA-N 0 3 336.501 1.779 50 0 EDAAHN CC(C)N1CCN(CCCn2c(=O)onc2-c2ccccc2)CC1 ZINC000188303363 529041860 /nfs/dbraw/zinc/04/18/60/529041860.db2.gz DBXWDPAZHZAERW-UHFFFAOYSA-N 0 3 330.432 1.919 50 0 EDAAHN Cn1ccnc1[C@@H](NC(=O)CCN1CCN(C)CC1)c1ccccc1 ZINC000169813863 564017238 /nfs/dbraw/zinc/01/72/38/564017238.db2.gz BQWSXWUYZISEIL-SFHVURJKSA-N 0 3 341.459 1.263 50 0 EDAAHN CC(=O)N1CCCN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000051154556 214080847 /nfs/dbraw/zinc/08/08/47/214080847.db2.gz PHOPGWHOBDNJAP-KRWDZBQOSA-N 0 3 344.459 1.568 50 0 EDAAHN CCN(Cc1c(C)n(C)n(-c2ccccc2)c1=O)[C@H]1COC[C@@H]1O ZINC000097636491 219043731 /nfs/dbraw/zinc/04/37/31/219043731.db2.gz MYYFCTNEKIEDCV-IRXDYDNUSA-N 0 3 331.416 1.066 50 0 EDAAHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1=O ZINC000096444591 282103958 /nfs/dbraw/zinc/10/39/58/282103958.db2.gz NLPZMWZSOHXYSO-FRRDWIJNSA-N 0 3 349.397 1.634 50 0 EDAAHN CN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000004711872 210256615 /nfs/dbraw/zinc/25/66/15/210256615.db2.gz JPQSTVBJNUOSSC-JTQLQIEISA-N 0 3 327.787 1.510 50 0 EDAAHN CN1CCC(O)(C(=O)NCCN2CCC(c3ccccc3)CC2)CC1 ZINC000097698655 219049496 /nfs/dbraw/zinc/04/94/96/219049496.db2.gz ZIYYKWWOQGOBSK-UHFFFAOYSA-N 0 3 345.487 1.439 50 0 EDAAHN CC(C(N)=O)S(=O)(=O)Cc1ccc(OCC(F)(F)F)cc1 ZINC000055213207 214289783 /nfs/dbraw/zinc/28/97/83/214289783.db2.gz 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/nfs/dbraw/zinc/26/70/87/215267087.db2.gz AFIGEUNJLQQFFK-UHFFFAOYSA-N 0 3 335.415 1.801 50 0 EDAAHN CCN1C[C@H](C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1=O ZINC000069392818 215398923 /nfs/dbraw/zinc/39/89/23/215398923.db2.gz AFJQUAWAGOTILC-LSDHHAIUSA-N 0 3 349.500 1.945 50 0 EDAAHN CC(=O)N1CCC[C@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000040509355 213326974 /nfs/dbraw/zinc/32/69/74/213326974.db2.gz BPOKHBBDGJQHAY-SFHVURJKSA-N 0 3 329.444 1.562 50 0 EDAAHN COc1cc2c(c(CNC[C@@H]3CN(C4CC4)CCO3)c1)O[C@H](C)C2 ZINC000069589886 215487981 /nfs/dbraw/zinc/48/79/81/215487981.db2.gz JFVFHRNORNLIJM-FZKQIMNGSA-N 0 3 332.444 1.971 50 0 EDAAHN CN1CCC(N(CCc2ccccc2)Cc2nc(C(N)=O)no2)CC1 ZINC000072124053 216016568 /nfs/dbraw/zinc/01/65/68/216016568.db2.gz RAEBATULZKCPMN-UHFFFAOYSA-N 0 3 343.431 1.307 50 0 EDAAHN Cc1[nH]c2c(c1C(=O)N1CCC[C@@](O)(CN(C)C)C1)C(=O)CCC2 ZINC000072146838 216033436 /nfs/dbraw/zinc/03/34/36/216033436.db2.gz DYDVEOANAZOBKY-GOSISDBHSA-N 0 3 333.432 1.371 50 0 EDAAHN O=C1CCCN1CCC1CCN(Cc2cc3n(n2)CCNC3)CC1 ZINC000072165010 216054163 /nfs/dbraw/zinc/05/41/63/216054163.db2.gz HFIZOUBVINRLQA-UHFFFAOYSA-N 0 3 331.464 1.211 50 0 EDAAHN Cn1ccnc1SCCn1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072422710 216211397 /nfs/dbraw/zinc/21/13/97/216211397.db2.gz FDULAUVIFJTMFZ-UHFFFAOYSA-N 0 3 343.460 1.766 50 0 EDAAHN OCC[C@H]1CN(c2ncnc3[nH]cnc32)CCN1Cc1ccsc1 ZINC000072469038 216248595 /nfs/dbraw/zinc/24/85/95/216248595.db2.gz IYVUBPNBZSMBRC-ZDUSSCGKSA-N 0 3 344.444 1.488 50 0 EDAAHN COC(=O)[C@@H](CN1CCCC1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000024927093 291252517 /nfs/dbraw/zinc/25/25/17/291252517.db2.gz SWNDJQGTXIQNIL-ZWNOBZJWSA-N 0 3 335.326 1.055 50 0 EDAAHN CN(C)C[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1ccc(Cl)cc1 ZINC000242106259 243011060 /nfs/dbraw/zinc/01/10/60/243011060.db2.gz WIGIVUSNKBTGHJ-NEPJUHHUSA-N 0 3 327.837 1.884 50 0 EDAAHN CN(CC(=O)N[C@H]1COC[C@@H]1N1CCCC1)Cc1ccc(F)cc1 ZINC000244673893 243054431 /nfs/dbraw/zinc/05/44/31/243054431.db2.gz HXOWPGUMRKNCSK-IRXDYDNUSA-N 0 3 335.423 1.237 50 0 EDAAHN Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)C2(N3CCCC3)CCCC2)C1 ZINC000244873229 243092292 /nfs/dbraw/zinc/09/22/92/243092292.db2.gz WMGXERXOCVVLDO-OKILXGFUSA-N 0 3 347.463 1.078 50 0 EDAAHN CCc1nc(C)c(C(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)o1 ZINC000020209856 212111726 /nfs/dbraw/zinc/11/17/26/212111726.db2.gz VDXOTHQXPBMSAT-CQSZACIVSA-N 0 3 334.464 1.834 50 0 EDAAHN Cc1ccc(CN2CCC(C(=O)NCCN3CCOCC3)CC2)cc1 ZINC000020102880 212100542 /nfs/dbraw/zinc/10/05/42/212100542.db2.gz PLDBJZRAYYNDEN-UHFFFAOYSA-N 0 3 345.487 1.655 50 0 EDAAHN CCCc1nc(C(=O)N2CCC[C@@H](Cn3cc(CN)nn3)C2)cs1 ZINC000019220201 212005033 /nfs/dbraw/zinc/00/50/33/212005033.db2.gz LLTYDLXJAQRFBR-GFCCVEGCSA-N 0 3 348.476 1.698 50 0 EDAAHN CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000078497757 217064057 /nfs/dbraw/zinc/06/40/57/217064057.db2.gz UMSGEPOOHHARSC-GFCCVEGCSA-N 0 3 329.400 1.420 50 0 EDAAHN CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000078497757 217064058 /nfs/dbraw/zinc/06/40/58/217064058.db2.gz UMSGEPOOHHARSC-GFCCVEGCSA-N 0 3 329.400 1.420 50 0 EDAAHN Cn1cc(C(=O)NCC2(N3CCSCC3)CCCCC2)ccc1=O ZINC000078992810 217168999 /nfs/dbraw/zinc/16/89/99/217168999.db2.gz VZYMWCJSCUVBHM-UHFFFAOYSA-N 0 3 349.500 1.867 50 0 EDAAHN OCCN1CCN(CCCCNc2ncc(Cl)cc2F)CC1 ZINC000079306044 217205383 /nfs/dbraw/zinc/20/53/83/217205383.db2.gz XUYXFVCMSMAWAH-UHFFFAOYSA-N 0 3 330.835 1.676 50 0 EDAAHN COCCNCC(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000237167611 139042837 /nfs/dbraw/zinc/04/28/37/139042837.db2.gz IPMZKBJKOUPYPE-IUODEOHRSA-N 0 3 326.824 1.864 50 0 EDAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNCc1ccncc1 ZINC000012195689 211317792 /nfs/dbraw/zinc/31/77/92/211317792.db2.gz CTZGDRDHBCPNPP-LJQANCHMSA-N 0 3 343.402 1.864 50 0 EDAAHN O=C(N[C@@H]1CCCN(CCc2ccccc2)C1)c1cc[n+]([O-])cc1 ZINC000011878922 211263728 /nfs/dbraw/zinc/26/37/28/211263728.db2.gz GSUMTRWQPJOSPH-GOSISDBHSA-N 0 3 325.412 1.757 50 0 EDAAHN Cc1nc(C2CCN(C(=O)CC[C@@H]3CCC[N@@H+](C)C3)CC2)cc(=O)[n-]1 ZINC000095382652 218314943 /nfs/dbraw/zinc/31/49/43/218314943.db2.gz SAACISDYNNCMIR-HNNXBMFYSA-N 0 3 346.475 1.906 50 0 EDAAHN Cc1nc(C2CCN(C(=O)CC[C@@H]3CCC[N@H+](C)C3)CC2)cc(=O)[n-]1 ZINC000095382652 218314946 /nfs/dbraw/zinc/31/49/46/218314946.db2.gz SAACISDYNNCMIR-HNNXBMFYSA-N 0 3 346.475 1.906 50 0 EDAAHN CC1CCN(C[C@H](O)COc2cc(Cl)ccc2C(N)=O)CC1 ZINC000095439103 218383095 /nfs/dbraw/zinc/38/30/95/218383095.db2.gz FEMOPWNQJPZHPP-ZDUSSCGKSA-N 0 3 326.824 1.911 50 0 EDAAHN NC(=O)C[C@H](NCc1cnn(Cc2ccccc2)c1)C1CCOCC1 ZINC000095452890 218396913 /nfs/dbraw/zinc/39/69/13/218396913.db2.gz UXHAASPDYGQKOB-SFHVURJKSA-N 0 3 342.443 1.692 50 0 EDAAHN CC(=O)N1CCC(NC(=O)CN[C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000097234898 219002468 /nfs/dbraw/zinc/00/24/68/219002468.db2.gz WHLYBNRQMHOZHD-LSDHHAIUSA-N 0 3 331.460 1.895 50 0 EDAAHN CNc1ncc(-c2nc([C@H]3CCOC3)nn2C2CCN(C)CC2)cn1 ZINC000097499581 219030685 /nfs/dbraw/zinc/03/06/85/219030685.db2.gz QAYLJWYTZSEPRZ-LBPRGKRZSA-N 0 3 343.435 1.547 50 0 EDAAHN Brc1cncc(CNC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000236587818 258006270 /nfs/dbraw/zinc/00/62/70/258006270.db2.gz RENSGRJGJNOOFV-CQSZACIVSA-N 0 3 326.238 1.797 50 0 EDAAHN CCCn1ncc(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c1C ZINC000299783247 258091342 /nfs/dbraw/zinc/09/13/42/258091342.db2.gz ZEBRCOPPZBVNQT-RDGPPVDQSA-N 0 3 349.475 1.590 50 0 EDAAHN CCC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](O)CN2CCCC2)c1 ZINC000299795626 258100247 /nfs/dbraw/zinc/10/02/47/258100247.db2.gz MFCLTRJMZFTNRA-HNNXBMFYSA-N 0 3 348.447 1.922 50 0 EDAAHN COCCCNC(=O)C1(CCO)CCN(Cc2ccccc2)CC1 ZINC000299803882 258105970 /nfs/dbraw/zinc/10/59/70/258105970.db2.gz JDEUKOSVBBBQBC-UHFFFAOYSA-N 0 3 334.460 1.804 50 0 EDAAHN O=C(CN(CCO)CC1CC1)N1CCN(Cc2cccs2)CC1 ZINC000064516267 258062363 /nfs/dbraw/zinc/06/23/63/258062363.db2.gz VYIUGXRYPVPGIM-UHFFFAOYSA-N 0 3 337.489 1.097 50 0 EDAAHN COc1ccccc1OCC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000299765081 258080262 /nfs/dbraw/zinc/08/02/62/258080262.db2.gz UYPMPBVRCOUVTD-MRXNPFEDSA-N 0 3 348.443 1.834 50 0 EDAAHN O=C(CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O)N1CCCc2ccccc21 ZINC000407961299 158228620 /nfs/dbraw/zinc/22/86/20/158228620.db2.gz CRDSKMWDSHJTJG-QRQLOZEOSA-N 0 3 344.455 1.828 50 0 EDAAHN CC(C)[C@H](C(=O)NC[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1)N(C)C ZINC000097079859 277869005 /nfs/dbraw/zinc/86/90/05/277869005.db2.gz KGOYEHKGXBVHAH-KBAYOESNSA-N 0 3 331.460 1.908 50 0 EDAAHN Cc1ncc(CC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c(=O)[n-]1 ZINC000077300366 293586988 /nfs/dbraw/zinc/58/69/88/293586988.db2.gz FPQCXWFDLRDQAN-MRXNPFEDSA-N 0 3 332.448 1.488 50 0 EDAAHN Cc1ccccc1[C@@H](C(=O)NCCN1CCC(CO)CC1)N(C)C ZINC000095510140 302114059 /nfs/dbraw/zinc/11/40/59/302114059.db2.gz GQDCZMOCOPWOSC-SFHVURJKSA-N 0 3 333.476 1.418 50 0 EDAAHN O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 ZINC000000001773 440794834 /nfs/dbraw/zinc/79/48/34/440794834.db2.gz DQCKKXVULJGBQN-XFWGSAIBSA-N 0 3 341.407 1.525 50 0 fda EDAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000044571575 440856380 /nfs/dbraw/zinc/85/63/80/440856380.db2.gz FHBQHEVDZVEIAU-INIZCTEOSA-N 0 3 340.427 1.506 50 0 EDAAHN Cc1cc(CS(=O)(=O)C(C)C(=O)NCc2ccccc2C)on1 ZINC000044643211 440865735 /nfs/dbraw/zinc/86/57/35/440865735.db2.gz NPJNFWLNCDVNGR-ZDUSSCGKSA-N 0 3 336.413 1.911 50 0 EDAAHN CC(C(=O)N1CCCC1)S(=O)(=O)Cc1noc(C(C)(C)C)n1 ZINC000044938713 440916648 /nfs/dbraw/zinc/91/66/48/440916648.db2.gz ZMIWWMFURWZPLL-SNVBAGLBSA-N 0 3 329.422 1.293 50 0 EDAAHN O=C(NCCN1CCCCC1)NCc1nncn1-c1ccccc1 ZINC000045195538 440961693 /nfs/dbraw/zinc/96/16/93/440961693.db2.gz IZADHNHINRKNPU-UHFFFAOYSA-N 0 3 328.420 1.552 50 0 EDAAHN O=C(NCCN1CCCCC1)NCc1cccnc1N1CCOCC1 ZINC000045209607 440963320 /nfs/dbraw/zinc/96/33/20/440963320.db2.gz VRDWDYBLVKCMFP-UHFFFAOYSA-N 0 3 347.463 1.203 50 0 EDAAHN CN(C)CCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 ZINC000006670098 441006090 /nfs/dbraw/zinc/00/60/90/441006090.db2.gz LFPAVQLTSITVKT-UHFFFAOYSA-N 0 3 340.449 1.381 50 0 EDAAHN COCCN1CCN(CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000069972856 441099189 /nfs/dbraw/zinc/09/91/89/441099189.db2.gz RFDWQMRZKSWCHL-CQSZACIVSA-N 0 3 330.432 1.118 50 0 EDAAHN C[C@H]1CCCN(CCNC(=O)c2ccc(Cn3ccccc3=O)o2)C1 ZINC000046862099 441131963 /nfs/dbraw/zinc/13/19/63/441131963.db2.gz KZJNGXAIAAAXHG-HNNXBMFYSA-N 0 3 343.427 1.951 50 0 EDAAHN O=C(c1cccc(CNC[C@@H]2CNc3ccnn3C2)c1)N1CCCC1 ZINC000058309689 441176907 /nfs/dbraw/zinc/17/69/07/441176907.db2.gz NRGLCOKTGOOWNP-MRXNPFEDSA-N 0 3 339.443 1.951 50 0 EDAAHN O=C(CN[C@H]1CCc2ncnn2C1)Nc1ccnn1C1CCCC1 ZINC000071871734 441177411 /nfs/dbraw/zinc/17/74/11/441177411.db2.gz MLPYESONLGGUJX-LBPRGKRZSA-N 0 3 329.408 1.133 50 0 EDAAHN C[C@@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)N1CCCC1 ZINC000058402050 441190816 /nfs/dbraw/zinc/19/08/16/441190816.db2.gz JBDGFIGJAFNZFE-LBPRGKRZSA-N 0 3 337.855 1.944 50 0 EDAAHN C[C@H](Cn1cccn1)NCC(=O)NCCOc1ccc(Cl)cc1 ZINC000071879149 441181712 /nfs/dbraw/zinc/18/17/12/441181712.db2.gz SAYDEMLCFMSJOF-CYBMUJFWSA-N 0 3 336.823 1.710 50 0 EDAAHN CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N(C)C)C2 ZINC000014541540 441186714 /nfs/dbraw/zinc/18/67/14/441186714.db2.gz WVGAXMHNHLSIQV-CYBMUJFWSA-N 0 3 336.505 1.901 50 0 EDAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccc(F)c2)CC1 ZINC000071768181 441153533 /nfs/dbraw/zinc/15/35/33/441153533.db2.gz DJNJEKLYNVWDPU-UHFFFAOYSA-N 0 3 333.407 1.772 50 0 EDAAHN COc1ccc(Cl)c(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c1 ZINC000071900684 441189955 /nfs/dbraw/zinc/18/99/55/441189955.db2.gz BYTSOBOQSSGTHR-NSHDSACASA-N 0 3 332.853 1.921 50 0 EDAAHN COCCN1CCC[C@H]1CNC(=O)/C=C/c1ccc(OC)cc1OC ZINC000058431002 441194890 /nfs/dbraw/zinc/19/48/90/441194890.db2.gz ZOLHVBWUGINKTG-DYLHUKMJSA-N 0 3 348.443 1.944 50 0 EDAAHN CN1CCC(N(CCc2ccccc2)CC(=O)N2CCOCC2)CC1 ZINC000072147763 441205025 /nfs/dbraw/zinc/20/50/25/441205025.db2.gz GDHSZHHQYSSXEP-UHFFFAOYSA-N 0 3 345.487 1.484 50 0 EDAAHN C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CC[C@H](C(N)=O)C1 ZINC000048034656 441253549 /nfs/dbraw/zinc/25/35/49/441253549.db2.gz HALNXDUVSJMYJZ-QAPCUYQASA-N 0 3 343.471 1.663 50 0 EDAAHN CC1CCN(CCNC(=O)c2cccnc2N2CCOCC2)CC1 ZINC000048230855 441275333 /nfs/dbraw/zinc/27/53/33/441275333.db2.gz CZPDWQDJZYJFHF-UHFFFAOYSA-N 0 3 332.448 1.380 50 0 EDAAHN C[C@H](CNC(=O)NCc1nnc2n1CCCCC2)N1CCC[C@H](C)C1 ZINC000106095745 441326146 /nfs/dbraw/zinc/32/61/46/441326146.db2.gz GKTSJVYVFWOCTH-LSDHHAIUSA-N 0 3 348.495 1.924 50 0 EDAAHN CCn1c(CN2CCCC2)nnc1C1CCN(Cc2cnc[nH]2)CC1 ZINC000082120962 441335353 /nfs/dbraw/zinc/33/53/53/441335353.db2.gz ABPHPAZGJHSWRA-UHFFFAOYSA-N 0 3 343.479 1.997 50 0 EDAAHN COC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000026455751 441378054 /nfs/dbraw/zinc/37/80/54/441378054.db2.gz PBGYLALCDWQADU-INIZCTEOSA-N 0 3 329.400 1.872 50 0 EDAAHN O=C(NCc1cccs1)c1ccc(=O)n(CCN2CCCC2)c1 ZINC000064760521 441391847 /nfs/dbraw/zinc/39/18/47/441391847.db2.gz RXENTFBVOUNRSD-UHFFFAOYSA-N 0 3 331.441 1.936 50 0 EDAAHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cnc(-c2ccccc2)nc1 ZINC000106581917 441359200 /nfs/dbraw/zinc/35/92/00/441359200.db2.gz QNZPNKBMWHYJFC-IRXDYDNUSA-N 0 3 338.411 1.737 50 0 EDAAHN CC(C)N1C(=O)N[C@@]2(CCN(CCCOc3ccccc3)C2)C1=O ZINC000084597341 441408112 /nfs/dbraw/zinc/40/81/12/441408112.db2.gz MZXJDZHTJYLFDN-GOSISDBHSA-N 0 3 331.416 1.860 50 0 EDAAHN CC(=O)N1CCCN([C@H]2CN(Cc3c(C)noc3C)C[C@@H]2C)CC1 ZINC000107354920 441411052 /nfs/dbraw/zinc/41/10/52/441411052.db2.gz ZMELMMQYVFHTNX-UGSOOPFHSA-N 0 3 334.464 1.666 50 0 EDAAHN CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(C[C@H]2CCOC2)C1 ZINC000107354282 441411249 /nfs/dbraw/zinc/41/12/49/441411249.db2.gz HDZZWPIFIUGPEN-UKRRQHHQSA-N 0 3 334.420 1.406 50 0 EDAAHN CCN1CCC[C@H]1CNC(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000107356066 441411630 /nfs/dbraw/zinc/41/16/30/441411630.db2.gz JVDOHKXQIBTCCD-HIFRSBDPSA-N 0 3 343.435 1.507 50 0 EDAAHN CNC(=O)C[C@@H](C)N(C)Cc1ccc(C(=O)Nc2cnn(C)n2)cc1 ZINC000065405769 441427469 /nfs/dbraw/zinc/42/74/69/441427469.db2.gz KIBBCKDGRQDRAO-GFCCVEGCSA-N 0 3 344.419 1.024 50 0 EDAAHN O=C(Cn1nnc(-c2cccs2)n1)NC1CCN(C2CC2)CC1 ZINC000065439853 441434434 /nfs/dbraw/zinc/43/44/34/441434434.db2.gz ZZGSJJGCWBVTGI-UHFFFAOYSA-N 0 3 332.433 1.145 50 0 EDAAHN CCc1nc2ccccc2n1CC(=O)NC[C@@H]1CCCN1CCOC ZINC000065495358 441445508 /nfs/dbraw/zinc/44/55/08/441445508.db2.gz LKGYFUMXVPSHLM-HNNXBMFYSA-N 0 3 344.459 1.826 50 0 EDAAHN Cn1nc(C(=O)NCCN2CCCCCC2)c2ccccc2c1=O ZINC000030001378 441482830 /nfs/dbraw/zinc/48/28/30/441482830.db2.gz VTXQQHURQTXPDW-UHFFFAOYSA-N 0 3 328.416 1.539 50 0 EDAAHN COCCN1CC[C@@H](CNC(=O)COCc2ccccc2Cl)C1 ZINC000065586466 441464348 /nfs/dbraw/zinc/46/43/48/441464348.db2.gz CMSOWZKGBYNECA-AWEZNQCLSA-N 0 3 340.851 1.941 50 0 EDAAHN CC(C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)S(C)(=O)=O ZINC000089369010 441542792 /nfs/dbraw/zinc/54/27/92/441542792.db2.gz AWXJYQBGJHICOE-ZFWWWQNUSA-N 0 3 325.430 1.627 50 0 EDAAHN Cn1cc(C(N)=O)cc1C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000089749972 441574659 /nfs/dbraw/zinc/57/46/59/441574659.db2.gz QIZWREXOJJQADN-OAHLLOKOSA-N 0 3 338.411 1.749 50 0 EDAAHN Cn1ccnc1C[C@H]1CCCN(CCn2nc3ccccn3c2=O)C1 ZINC000090003520 441611158 /nfs/dbraw/zinc/61/11/58/441611158.db2.gz WKAJFDXPTVITKH-OAHLLOKOSA-N 0 3 340.431 1.184 50 0 EDAAHN CC(C)N1C(=O)N[C@](C)([C@H]2CCCN(CCOCC3CC3)C2)C1=O ZINC000089869736 441587541 /nfs/dbraw/zinc/58/75/41/441587541.db2.gz RCZAZSHASZTHFM-MAUKXSAKSA-N 0 3 337.464 1.844 50 0 EDAAHN CCn1nc(-c2ccc(OC)cc2OC)cc1C(=O)NCCN(C)C ZINC000034903113 441602257 /nfs/dbraw/zinc/60/22/57/441602257.db2.gz KKHAPGKWRIAJBN-UHFFFAOYSA-N 0 3 346.431 1.879 50 0 EDAAHN CN(Cc1ccn(C)c(=O)c1)Cc1ccccc1N1CCOCC1 ZINC000042112984 441707077 /nfs/dbraw/zinc/70/70/77/441707077.db2.gz XDSIXURXVDACEQ-UHFFFAOYSA-N 0 3 327.428 1.854 50 0 EDAAHN Cn1c(CN2CCCCC2)nnc1C1CCN(C(=O)C(C)(C)N)CC1 ZINC000077342660 441759417 /nfs/dbraw/zinc/75/94/17/441759417.db2.gz CRXNDYWXVDCDKY-UHFFFAOYSA-N 0 3 348.495 1.244 50 0 EDAAHN O=C(Cn1cncn1)N1CCCN(CCCc2ccccc2)CC1 ZINC000077353453 441761103 /nfs/dbraw/zinc/76/11/03/441761103.db2.gz JRCBCMWBSYMOAW-UHFFFAOYSA-N 0 3 327.432 1.445 50 0 EDAAHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)/C=C/c2cccs2)CC1 ZINC000069417803 441930287 /nfs/dbraw/zinc/93/02/87/441930287.db2.gz KCHIHSHRWWLJJG-NFAHFFEMSA-N 0 3 333.457 1.702 50 0 EDAAHN CC(=O)N1CCN(C(=O)CN2CC[C@H](c3ccccc3C)C2)CC1 ZINC000069588665 441983121 /nfs/dbraw/zinc/98/31/21/441983121.db2.gz PAVSADAZABSCBX-KRWDZBQOSA-N 0 3 329.444 1.475 50 0 EDAAHN O=C(CCN1CCC[C@H]1Cn1cncn1)N1CCc2ccccc21 ZINC000069600844 441987116 /nfs/dbraw/zinc/98/71/16/441987116.db2.gz KZVGBXQYYOGVEK-INIZCTEOSA-N 0 3 325.416 1.722 50 0 EDAAHN CCN1CCN(CCNC(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000069655783 442003052 /nfs/dbraw/zinc/00/30/52/442003052.db2.gz BWKMFTRNVRTUPO-UHFFFAOYSA-N 0 3 345.422 1.379 50 0 EDAAHN CCN1CCC(NC(=O)NCC(=O)N2CCc3ccccc3C2)CC1 ZINC000069666352 442007646 /nfs/dbraw/zinc/00/76/46/442007646.db2.gz SSOQTUJCYGMGGA-UHFFFAOYSA-N 0 3 344.459 1.355 50 0 EDAAHN C[C@H]1CCCC[C@H]1OCC(=O)NCCCCN1CCN(C)CC1 ZINC000079043713 442011975 /nfs/dbraw/zinc/01/19/75/442011975.db2.gz ARVNKEOSQYVCQQ-DLBZAZTESA-N 0 3 325.497 1.726 50 0 EDAAHN C[C@H](NC(=O)CN[C@@H]1CCc2ncnn2C1)c1cc2ccccc2o1 ZINC000069740477 442027148 /nfs/dbraw/zinc/02/71/48/442027148.db2.gz NLCNNRBDCHIWKL-GXTWGEPZSA-N 0 3 339.399 1.806 50 0 EDAAHN O=C(CN[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1c1ccsc1 ZINC000069742514 442029542 /nfs/dbraw/zinc/02/95/42/442029542.db2.gz MZBSGQHSAUOFFT-ZIAGYGMSSA-N 0 3 331.445 1.608 50 0 EDAAHN O=C(CN[C@@H]1CCc2ncnn2C1)N1CCC[C@H]1c1ccsc1 ZINC000069742512 442029946 /nfs/dbraw/zinc/02/99/46/442029946.db2.gz MZBSGQHSAUOFFT-KGLIPLIRSA-N 0 3 331.445 1.608 50 0 EDAAHN COc1ccc(F)cc1[C@H](C)NC[C@@H]1CNc2c(C(N)=O)cnn2C1 ZINC000069840790 442052064 /nfs/dbraw/zinc/05/20/64/442052064.db2.gz YZPQMZNAZYWVJW-WDEREUQCSA-N 0 3 347.394 1.522 50 0 EDAAHN Cc1cc(NC(=O)[C@@H](C)N[C@@H]2CCCN(Cc3noc(C)n3)C2)on1 ZINC000069842479 442053288 /nfs/dbraw/zinc/05/32/88/442053288.db2.gz FYYQEOXBDCRLIM-DGCLKSJQSA-N 0 3 348.407 1.256 50 0 EDAAHN CCOc1ccc(OC[C@H](O)CN2CCC[C@@H]2Cn2cncn2)cc1 ZINC000069843166 442053802 /nfs/dbraw/zinc/05/38/02/442053802.db2.gz APSLCBGKBKCLKA-HZPDHXFCSA-N 0 3 346.431 1.581 50 0 EDAAHN CCc1nc(CN2CCC[C@H](NCC(=O)Nc3ccncc3)C2)no1 ZINC000069846038 442055030 /nfs/dbraw/zinc/05/50/30/442055030.db2.gz LWMTYOYHAFHZDA-AWEZNQCLSA-N 0 3 344.419 1.220 50 0 EDAAHN Cc1nc2n(n1)C[C@H](NCc1ccccc1OCC(=O)N(C)C)CC2 ZINC000069899459 442070018 /nfs/dbraw/zinc/07/00/18/442070018.db2.gz KZFVMXUNYMSROX-OAHLLOKOSA-N 0 3 343.431 1.158 50 0 EDAAHN CCCN1CCC[C@@H]1C(=O)N1CCCN(Cc2nccn2C)CC1 ZINC000069901547 442072175 /nfs/dbraw/zinc/07/21/75/442072175.db2.gz IDGODAUJJKLRRQ-MRXNPFEDSA-N 0 3 333.480 1.329 50 0 EDAAHN CC(C)[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1nnc2n1CCC2 ZINC000096404825 442114627 /nfs/dbraw/zinc/11/46/27/442114627.db2.gz IRJGTIYBJHACDX-INIZCTEOSA-N 0 3 346.479 1.847 50 0 EDAAHN Cc1nc(CSc2nnnn2CCN(C)C)nc2ccccc12 ZINC000096455712 442136706 /nfs/dbraw/zinc/13/67/06/442136706.db2.gz WAYAKASLIORAKK-UHFFFAOYSA-N 0 3 329.433 1.779 50 0 EDAAHN C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1nnnn1-c1ccccc1 ZINC000097135230 442173209 /nfs/dbraw/zinc/17/32/09/442173209.db2.gz UZIRPLUQYJCPGV-BBRMVZONSA-N 0 3 340.431 1.714 50 0 EDAAHN CCc1nnc2n1C[C@@H](N[C@@H](C)C(=O)N1CCc3ccccc31)CC2 ZINC000097199567 442182847 /nfs/dbraw/zinc/18/28/47/442182847.db2.gz VXHGEHKGXCGSII-ZFWWWQNUSA-N 0 3 339.443 1.723 50 0 EDAAHN CN(CCN1C(=O)c2ccccc2C1=O)[C@H]1Cc2ccccc2[C@@H]1O ZINC000097034152 442158101 /nfs/dbraw/zinc/15/81/01/442158101.db2.gz HJRNGAASKPWLON-ROUUACIJSA-N 0 3 336.391 1.873 50 0 EDAAHN Cc1cc(C)cc(C2=CCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)c1 ZINC000097057787 442160745 /nfs/dbraw/zinc/16/07/45/442160745.db2.gz FVZNWKBSDZBRPE-UHFFFAOYSA-N 0 3 339.439 1.990 50 0 EDAAHN Cc1cccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1C ZINC000177356349 442331751 /nfs/dbraw/zinc/33/17/51/442331751.db2.gz WHPZZMLDIVSCKP-SFHVURJKSA-N 0 3 331.460 1.326 50 0 EDAAHN O=C(Cc1ccc(F)cc1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1CO ZINC000253415158 443060800 /nfs/dbraw/zinc/06/08/00/443060800.db2.gz ZVLZIXOZWYRQJF-PKOBYXMFSA-N 0 3 342.414 1.977 50 0 EDAAHN Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CCCN(C)CC1)C(F)(F)F ZINC000253427126 443066821 /nfs/dbraw/zinc/06/68/21/443066821.db2.gz DIIXMEPCNJKOSS-CYBMUJFWSA-N 0 3 347.385 1.987 50 0 EDAAHN Cc1cccc(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)n1 ZINC000221205834 443070088 /nfs/dbraw/zinc/07/00/88/443070088.db2.gz AYPCJPYOQCIFQJ-GOSISDBHSA-N 0 3 329.448 1.587 50 0 EDAAHN C[C@H](O)CN1CCN(CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000253532204 443072011 /nfs/dbraw/zinc/07/20/11/443072011.db2.gz SQEYPGCWXLHVOY-KGLIPLIRSA-N 0 3 330.432 1.265 50 0 EDAAHN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000237517677 443175359 /nfs/dbraw/zinc/17/53/59/443175359.db2.gz KMSXDSNQHMHWJI-NJAFHUGGSA-N 0 3 346.475 1.177 50 0 EDAAHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000257365411 443157824 /nfs/dbraw/zinc/15/78/24/443157824.db2.gz FUCHASRHXNGOTR-OCCSQVGLSA-N 0 3 349.456 1.429 50 0 EDAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@H]3CC[C@H](O)CC3)cnn2c1 ZINC000244794802 443214642 /nfs/dbraw/zinc/21/46/42/443214642.db2.gz 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/nfs/dbraw/zinc/41/15/42/448411542.db2.gz INMIHKYZJAZROG-GOEBONIOSA-N 0 3 336.480 1.561 50 0 EDAAHN CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC000673512890 487030631 /nfs/dbraw/zinc/03/06/31/487030631.db2.gz JTVYWAVLHZONOD-PVAVHDDUSA-N 0 3 346.427 1.324 50 0 EDAAHN CC1(C)Cc2ccc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c(O)c2O1 ZINC000078441348 487116401 /nfs/dbraw/zinc/11/64/01/487116401.db2.gz FXCWTMUFQAJIBT-KGLIPLIRSA-N 0 3 346.427 1.699 50 0 EDAAHN CCc1ccccc1N1CCN(C(=O)CN2CC[C@@H](N(C)C)C2)CC1 ZINC000244691843 535942787 /nfs/dbraw/zinc/94/27/87/535942787.db2.gz JKADRALLPXJQET-GOSISDBHSA-N 0 3 344.503 1.534 50 0 EDAAHN COc1ccc(/C=C\C(=O)N2CC3(CNC3)OC(C)(C)C2)cc1OC ZINC000888096537 591027782 /nfs/dbraw/zinc/02/77/82/591027782.db2.gz HXXCSVHEJZPEQU-VURMDHGXSA-N 0 3 346.427 1.696 50 0 EDAAHN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CC[C@H](C(N)=O)C1 ZINC000052961435 214157878 /nfs/dbraw/zinc/15/78/78/214157878.db2.gz BJNJIFXTXJMZPY-QWRGUYRKSA-N 0 3 341.814 1.633 50 0 EDAAHN CCN1CCC[C@H]1CNC(=O)CCc1nc(-c2ccncc2)no1 ZINC000055209356 214288722 /nfs/dbraw/zinc/28/87/22/214288722.db2.gz VKKZALNZTVFWDJ-AWEZNQCLSA-N 0 3 329.404 1.665 50 0 EDAAHN CN(C)Cc1ccc([C@H]2CCCN2C(=O)CCn2cnnn2)cc1 ZINC000222817158 282148272 /nfs/dbraw/zinc/14/82/72/282148272.db2.gz KDPDUTFMMMATCV-MRXNPFEDSA-N 0 3 328.420 1.489 50 0 EDAAHN Cc1ccc(CN2C[C@@H](C(=O)NC3CCN(C)CC3)CC2=O)cc1 ZINC000055359820 214311918 /nfs/dbraw/zinc/31/19/18/214311918.db2.gz SECPOEWUXUFHKT-INIZCTEOSA-N 0 3 329.444 1.554 50 0 EDAAHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cn1ncc(=O)c2ccccc21 ZINC000055403889 214319624 /nfs/dbraw/zinc/31/96/24/214319624.db2.gz PKERVQUIJPUCPO-HUUCEWRRSA-N 0 3 342.443 1.633 50 0 EDAAHN C[C@@H]1CCCCN1CCNC(=O)N1CCC(C(=O)NC2CC2)CC1 ZINC000056864861 214391980 /nfs/dbraw/zinc/39/19/80/214391980.db2.gz ZYHGVWXQDBZAMY-CQSZACIVSA-N 0 3 336.480 1.561 50 0 EDAAHN NC(=O)C1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000058342685 214554568 /nfs/dbraw/zinc/55/45/68/214554568.db2.gz 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/nfs/dbraw/zinc/23/79/39/215237939.db2.gz HFUCDSCDAZJGIY-KRWDZBQOSA-N 0 3 342.386 1.179 50 0 EDAAHN CNc1ncccc1C(=O)NC[C@H]1CCN(Cc2cnc(C)[nH]2)C1 ZINC000067934836 215252527 /nfs/dbraw/zinc/25/25/27/215252527.db2.gz MMRTVORMEAKXOG-CYBMUJFWSA-N 0 3 328.420 1.407 50 0 EDAAHN CCN(CC)Cc1cnc2c(C(=O)N3CCN(C)[C@@H](C)C3)cnn2c1 ZINC000067966860 215262111 /nfs/dbraw/zinc/26/21/11/215262111.db2.gz UYHUZSNTRDEHAA-AWEZNQCLSA-N 0 3 344.463 1.347 50 0 EDAAHN Cc1ccccc1C(=O)Nc1nc(C(=O)NCCN(C)C)cs1 ZINC000040355379 213291878 /nfs/dbraw/zinc/29/18/78/213291878.db2.gz KKRYDDPVFZNXHA-UHFFFAOYSA-N 0 3 332.429 1.995 50 0 EDAAHN Cc1noc2ncnc(NC[C@H](O)CN3CCc4ccccc4C3)c12 ZINC000193387178 540182406 /nfs/dbraw/zinc/18/24/06/540182406.db2.gz HHNDNICJHYFGRG-HNNXBMFYSA-N 0 3 339.399 1.757 50 0 EDAAHN CNCC(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072135266 216023739 /nfs/dbraw/zinc/02/37/39/216023739.db2.gz GMEYPLRQIMKMLX-HNNXBMFYSA-N 0 3 334.439 1.158 50 0 EDAAHN Cc1c[nH]c(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)c1 ZINC000072158183 216048358 /nfs/dbraw/zinc/04/83/58/216048358.db2.gz KYIMLSLEMPKFJN-SJORKVTESA-N 0 3 325.412 1.871 50 0 EDAAHN CC[C@H]1CN(C(=O)C2(N)CCC2)CCC(=O)N1Cc1ccccc1 ZINC000072162786 216051593 /nfs/dbraw/zinc/05/15/93/216051593.db2.gz HFCJDFASQRFOOR-INIZCTEOSA-N 0 3 329.444 1.908 50 0 EDAAHN Cn1cc(CN2CCCN(C(=O)c3cccc4n[nH]cc43)CC2)cn1 ZINC000072279797 216108743 /nfs/dbraw/zinc/10/87/43/216108743.db2.gz VETJOHDVZZOYAI-UHFFFAOYSA-N 0 3 338.415 1.645 50 0 EDAAHN CN(CCc1ccccn1)C(=O)CCc1cc2n(n1)CCCNC2 ZINC000072428678 216220622 /nfs/dbraw/zinc/22/06/22/216220622.db2.gz LXTLFDYRFVRXEM-UHFFFAOYSA-N 0 3 327.432 1.405 50 0 EDAAHN CCNc1ncc(C(=O)NCc2c(C)ncc3c2CCNC3)cn1 ZINC000072427395 216217628 /nfs/dbraw/zinc/21/76/28/216217628.db2.gz PRERWMPNQSQFDH-UHFFFAOYSA-N 0 3 326.404 1.188 50 0 EDAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1c[nH]cn1)C2 ZINC000072473520 216250646 /nfs/dbraw/zinc/25/06/46/216250646.db2.gz 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/nfs/dbraw/zinc/23/49/28/242234928.db2.gz QFFVKNURLIXLAD-JKSUJKDBSA-N 0 3 330.494 1.836 50 0 EDAAHN C[C@@H](CO[C@H]1CCOC1)NC(=O)N1CCCC12CCN(C)CC2 ZINC000242001100 243008503 /nfs/dbraw/zinc/00/85/03/243008503.db2.gz VCYVKXGOKFCAGB-GJZGRUSLSA-N 0 3 325.453 1.450 50 0 EDAAHN CCN1CCN(C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 ZINC000019794964 212068859 /nfs/dbraw/zinc/06/88/59/212068859.db2.gz HKZNHDOXZDZCOI-IBGZPJMESA-N 0 3 337.508 1.558 50 0 EDAAHN CCN1CCN(CCNC(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 ZINC000079293248 217204760 /nfs/dbraw/zinc/20/47/60/217204760.db2.gz FIBPSWCZYMKVIR-QGZVFWFLSA-N 0 3 345.491 1.052 50 0 EDAAHN CCN1CCN(CCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000079335588 217209660 /nfs/dbraw/zinc/20/96/60/217209660.db2.gz UMXOGYJGNJXLLW-GOSISDBHSA-N 0 3 349.450 1.753 50 0 EDAAHN O=C(NCCN1CCCC1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 ZINC000091503971 218014445 /nfs/dbraw/zinc/01/44/45/218014445.db2.gz HTFXFIGFDUVASV-MRXNPFEDSA-N 0 3 344.459 1.075 50 0 EDAAHN 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C[C@]1(c2ccccc2)CC[C@@H](N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC000187453012 280173144 /nfs/dbraw/zinc/17/31/44/280173144.db2.gz NURIFHRZGAGZJA-MDZRGWNJSA-N 0 3 327.428 1.139 50 0 EDAAHN O=C(CNCCCN1CCOCC1)Nc1cccc(C(F)(F)F)c1 ZINC000001808454 440853044 /nfs/dbraw/zinc/85/30/44/440853044.db2.gz RHQAOKNOLVKYQX-UHFFFAOYSA-N 0 3 345.365 1.956 50 0 EDAAHN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(C)C ZINC000002530793 440864885 /nfs/dbraw/zinc/86/48/85/440864885.db2.gz BNZDPGUTKZFAOD-HOCLYGCPSA-N 0 3 331.416 1.742 50 0 EDAAHN CC(C(=O)NC1CC1)S(=O)(=O)Cc1nc(Cc2ccccc2)no1 ZINC000044938824 440916783 /nfs/dbraw/zinc/91/67/83/440916783.db2.gz HSPWLQPCBKQXPU-NSHDSACASA-N 0 3 349.412 1.242 50 0 EDAAHN CCc1ccc([C@@H](CNC(=O)NCc2nncn2CC)N(C)C)cc1 ZINC000044950257 440922315 /nfs/dbraw/zinc/92/23/15/440922315.db2.gz CUZSAJGKFQEACF-MRXNPFEDSA-N 0 3 344.463 1.963 50 0 EDAAHN CC(C(=O)NCc1ccc(N2CCCCC2)nc1)S(C)(=O)=O ZINC000044953111 440924210 /nfs/dbraw/zinc/92/42/10/440924210.db2.gz BRDGQCLBGBDEOW-LBPRGKRZSA-N 0 3 325.434 1.121 50 0 EDAAHN COc1cccc(CN2CCC[C@H](C(=O)N3CCN(C)CC3)C2)c1 ZINC000004746146 440927042 /nfs/dbraw/zinc/92/70/42/440927042.db2.gz HEPKHPHLTVGJQL-KRWDZBQOSA-N 0 3 331.460 1.681 50 0 EDAAHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000011754307 441124411 /nfs/dbraw/zinc/12/44/11/441124411.db2.gz YNGWGMGGEBSKKT-HNNXBMFYSA-N 0 3 327.384 1.134 50 0 EDAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CN1CCC(O)CC1 ZINC000011951790 441125174 /nfs/dbraw/zinc/12/51/74/441125174.db2.gz QQNDXKIIMRJZGR-SFHVURJKSA-N 0 3 336.407 1.136 50 0 EDAAHN Cn1ncc2c1ncnc2N1CCN(CCc2cccs2)CC1 ZINC000057141379 441091925 /nfs/dbraw/zinc/09/19/25/441091925.db2.gz GJUKJBOCULSSJO-UHFFFAOYSA-N 0 3 328.445 1.790 50 0 EDAAHN O=C(NCCN1CCC[C@H](CO)C1)c1cccc(-c2cn[nH]c2)c1 ZINC000097641944 441143055 /nfs/dbraw/zinc/14/30/55/441143055.db2.gz DEQVCDVETFLPGK-AWEZNQCLSA-N 0 3 328.416 1.511 50 0 EDAAHN CN(C)CCOC1CCN(C(=O)[C@H]2Cc3ccccc3CN2C)CC1 ZINC000097527981 441140358 /nfs/dbraw/zinc/14/03/58/441140358.db2.gz ZCAYXTKUBSHKOI-LJQANCHMSA-N 0 3 345.487 1.612 50 0 EDAAHN O=C(Cn1ccccc1=O)NCCN1CC[C@H](c2ccccc2)C1 ZINC000097815375 441145008 /nfs/dbraw/zinc/14/50/08/441145008.db2.gz XVAOJTXWRMYEDC-KRWDZBQOSA-N 0 3 325.412 1.454 50 0 EDAAHN CC(C)CN1CCN(Cc2ccc3c(c2)OCCO3)C[C@H]1CCO ZINC000104482197 441196193 /nfs/dbraw/zinc/19/61/93/441196193.db2.gz BNVFQMZIAHNVBM-QGZVFWFLSA-N 0 3 334.460 1.982 50 0 EDAAHN CCN1CCO[C@H](CN2CCN(CCOc3ccc(C)cc3)CC2)C1 ZINC000072279894 441218192 /nfs/dbraw/zinc/21/81/92/441218192.db2.gz QFWVEWLVULGLNS-FQEVSTJZSA-N 0 3 347.503 1.712 50 0 EDAAHN Cn1cccc1[C@H]1CCCN1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000048272995 441283034 /nfs/dbraw/zinc/28/30/34/441283034.db2.gz HFEYEVBPGLDBIJ-QGZVFWFLSA-N 0 3 349.456 1.888 50 0 EDAAHN Cc1nc(C)n(C[C@H]2CCCN2C[C@@H](O)COc2ccc(F)cc2)n1 ZINC000106783526 441370438 /nfs/dbraw/zinc/37/04/38/441370438.db2.gz KCYSCUFVXYOADU-IAGOWNOFSA-N 0 3 348.422 1.938 50 0 EDAAHN C[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000065361991 441418212 /nfs/dbraw/zinc/41/82/12/441418212.db2.gz JXVLKXJOTQMWIN-ZDUSSCGKSA-N 0 3 339.461 1.052 50 0 EDAAHN CCOC(=O)[C@H](C)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000065479529 441442357 /nfs/dbraw/zinc/44/23/57/441442357.db2.gz BAOCFVUUDJFYLL-KRWDZBQOSA-N 0 3 333.476 1.688 50 0 EDAAHN C[C@@H](CNC(=O)NCc1ccccc1Cn1cncn1)N1CCCC1 ZINC000065565525 441461174 /nfs/dbraw/zinc/46/11/74/441461174.db2.gz ZRGKPVNLWRHBOM-HNNXBMFYSA-N 0 3 342.447 1.610 50 0 EDAAHN COCCN1CCC(CNC(=O)c2ccc([S@@](C)=O)cc2)CC1 ZINC000089414393 441548648 /nfs/dbraw/zinc/54/86/48/441548648.db2.gz IKLOFQRHBVIKJZ-QHCPKHFHSA-N 0 3 338.473 1.512 50 0 EDAAHN O=C(CCn1cncn1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067360937 441631572 /nfs/dbraw/zinc/63/15/72/441631572.db2.gz LSSQNTYXDJVAHS-QGZVFWFLSA-N 0 3 327.432 1.839 50 0 EDAAHN CCN1C[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1=O ZINC000067361423 441631594 /nfs/dbraw/zinc/63/15/94/441631594.db2.gz DEHMSOXCFCRHSP-ROUUACIJSA-N 0 3 343.471 1.883 50 0 EDAAHN CCN(CC[NH+]1CCCCCC1)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000055280832 441636999 /nfs/dbraw/zinc/63/69/99/441636999.db2.gz ALOAIMXFMVSHLJ-UHFFFAOYSA-N 0 3 334.464 1.654 50 0 EDAAHN CC(C)[C@@H](NC(=O)CCc1cccnc1)c1nnc2n1CCNCC2 ZINC000067641602 441661429 /nfs/dbraw/zinc/66/14/29/441661429.db2.gz GGDJVKCNCBROHB-QGZVFWFLSA-N 0 3 342.447 1.265 50 0 EDAAHN CCN(CC)Cc1cnc2c(C(=O)NCCc3c[nH]cn3)cnn2c1 ZINC000067895627 441694219 /nfs/dbraw/zinc/69/42/19/441694219.db2.gz RZYAMVYONLRRAR-UHFFFAOYSA-N 0 3 341.419 1.267 50 0 EDAAHN CCN(CC)Cc1cnc2c(C(=O)NCCc3cnc[nH]3)cnn2c1 ZINC000067895627 441694223 /nfs/dbraw/zinc/69/42/23/441694223.db2.gz RZYAMVYONLRRAR-UHFFFAOYSA-N 0 3 341.419 1.267 50 0 EDAAHN CN1CCN2C[C@@H](NC(=O)c3cc(-n4cccc4)ccc3O)C[C@H]2C1 ZINC000067909196 441695019 /nfs/dbraw/zinc/69/50/19/441695019.db2.gz CKQFXXCQBYMWFR-HOCLYGCPSA-N 0 3 340.427 1.301 50 0 EDAAHN CNC(=O)[C@@H]1CCN(Cc2cccc(C(=O)Nc3cnn(C)c3)c2)C1 ZINC000067908271 441695068 /nfs/dbraw/zinc/69/50/68/441695068.db2.gz BZXIJSYIWYHTNV-OAHLLOKOSA-N 0 3 341.415 1.240 50 0 EDAAHN Cc1noc(C)c1CN1CCC2(CCC(=O)N(C[C@@H](C)O)C2)CC1 ZINC000091410067 441698810 /nfs/dbraw/zinc/69/88/10/441698810.db2.gz HXZVVOKBWPQNLK-CYBMUJFWSA-N 0 3 335.448 1.877 50 0 EDAAHN COCCN1CC2(CCC1=O)CCN(CCc1cnn(C)c1)CC2 ZINC000091876926 441749526 /nfs/dbraw/zinc/74/95/26/441749526.db2.gz BDCOTBDLTMWQMV-UHFFFAOYSA-N 0 3 334.464 1.314 50 0 EDAAHN NC(=O)c1ccc(OCCCN2CCC3(CC2)OCCC[C@H]3O)cc1 ZINC000092037209 441764177 /nfs/dbraw/zinc/76/41/77/441764177.db2.gz WZSUJCOGHNYCGT-QGZVFWFLSA-N 0 3 348.443 1.560 50 0 EDAAHN CNCC(=O)N1CCC(c2nnc(CN3CCCCCC3)n2C)CC1 ZINC000091656793 441727255 /nfs/dbraw/zinc/72/72/55/441727255.db2.gz FHCODTOMBSHWLZ-UHFFFAOYSA-N 0 3 348.495 1.117 50 0 EDAAHN O=C(CN1C[C@H]2CC[C@H](CN2Cc2ccccc2)C1)N1CCNCC1 ZINC000095369657 441914203 /nfs/dbraw/zinc/91/42/03/441914203.db2.gz UEEPXLDQPHRWDC-RBUKOAKNSA-N 0 3 342.487 1.015 50 0 EDAAHN CCN1CCN(C[C@@H]2CN(c3nc4ccccc4o3)C[C@@H]2CO)CC1 ZINC000095379473 441914810 /nfs/dbraw/zinc/91/48/10/441914810.db2.gz RKNZHHUYZJWPJW-HZPDHXFCSA-N 0 3 344.459 1.510 50 0 EDAAHN CCCS(=O)(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000095399843 441921266 /nfs/dbraw/zinc/92/12/66/441921266.db2.gz XSFRLANCTPSTGU-QGZVFWFLSA-N 0 3 340.489 1.761 50 0 EDAAHN O=S1(=O)CCC[C@@H](NC[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000095984906 441970702 /nfs/dbraw/zinc/97/07/02/441970702.db2.gz IFQZEATXSSMZBF-IAGOWNOFSA-N 0 3 338.473 1.227 50 0 EDAAHN CCc1nc(CN2CCC[C@@H]([NH2+]Cc3nc(C)ccc3[O-])C2)no1 ZINC000069562825 441975935 /nfs/dbraw/zinc/97/59/35/441975935.db2.gz XZJVFKBODLWHII-CYBMUJFWSA-N 0 3 331.420 1.795 50 0 EDAAHN CCOC(CNC[C@H](O)COc1ccc2c(c1)OCO2)OCC ZINC000095918181 441952823 /nfs/dbraw/zinc/95/28/23/441952823.db2.gz TVUFZNPNSDXSHJ-LBPRGKRZSA-N 0 3 327.377 1.144 50 0 EDAAHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccn(C)c(=O)c1 ZINC000095956407 441959358 /nfs/dbraw/zinc/95/93/58/441959358.db2.gz SEGDAZIJACWAEY-UHFFFAOYSA-N 0 3 331.391 1.728 50 0 EDAAHN C[C@@H](CNC(=O)CCn1cnc2ccccc21)CN1CCN(C)CC1 ZINC000079310643 442038210 /nfs/dbraw/zinc/03/82/10/442038210.db2.gz VDRCNIPKHYNHHM-INIZCTEOSA-N 0 3 343.475 1.426 50 0 EDAAHN CN1CCN(CCCNC(=O)[C@H]2CCOc3ccccc3C2)CC1 ZINC000096139384 442044048 /nfs/dbraw/zinc/04/40/48/442044048.db2.gz WPIVJQQLCJATPT-KRWDZBQOSA-N 0 3 331.460 1.382 50 0 EDAAHN CN(C)[C@H]1CCN(C(=O)Nc2cccc(NS(C)(=O)=O)c2)C1 ZINC000096180447 442054427 /nfs/dbraw/zinc/05/44/27/442054427.db2.gz DFINHQZZJYXZGE-ZDUSSCGKSA-N 0 3 326.422 1.226 50 0 EDAAHN C[C@H](C(=O)NC(C)(C)c1noc(CN(C)C)n1)N1CCCCCC1 ZINC000096436210 442130455 /nfs/dbraw/zinc/13/04/55/442130455.db2.gz LZSPMKVBNBHSBN-CYBMUJFWSA-N 0 3 337.468 1.747 50 0 EDAAHN Cc1c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cnc2ccnn21 ZINC000426445193 447446680 /nfs/dbraw/zinc/44/66/80/447446680.db2.gz YUIZIKYCILVWMD-HNNXBMFYSA-N 0 3 343.431 1.411 50 0 EDAAHN C[C@@H](C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2)n1cncn1 ZINC000097107868 442170712 /nfs/dbraw/zinc/17/07/12/442170712.db2.gz FQGGZOKZVSWGQA-ZDUSSCGKSA-N 0 3 343.431 1.607 50 0 EDAAHN CCc1nn(C)cc1CN1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000097033857 442158328 /nfs/dbraw/zinc/15/83/28/442158328.db2.gz MOLMAUOHYDBXAY-HUUCEWRRSA-N 0 3 348.491 1.830 50 0 EDAAHN CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000252476782 443025122 /nfs/dbraw/zinc/02/51/22/443025122.db2.gz BGMMJMGCTUCCLD-TYQHDMJKSA-N 0 3 341.521 1.944 50 0 EDAAHN Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000252489294 443031319 /nfs/dbraw/zinc/03/13/19/443031319.db2.gz JNTOHZWPZVSPOX-ZDUSSCGKSA-N 0 3 340.349 1.897 50 0 EDAAHN CN(C)S(=O)(=O)CCCN1CCC(OCc2ccccc2)CC1 ZINC000252505422 443037028 /nfs/dbraw/zinc/03/70/28/443037028.db2.gz VRJPZQOQGCBSFE-UHFFFAOYSA-N 0 3 340.489 1.949 50 0 EDAAHN Nc1nc(CCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)cs1 ZINC000218893481 443059828 /nfs/dbraw/zinc/05/98/28/443059828.db2.gz ZMQZAMLKRUSGDW-FAAHXZRKSA-N 0 3 336.461 1.026 50 0 EDAAHN Cc1nc2cc(CC(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)ccc2[nH]1 ZINC000222487513 443078598 /nfs/dbraw/zinc/07/85/98/443078598.db2.gz CAEQISXCZZWYNG-QRVDHSFSSA-N 0 3 328.416 1.248 50 0 EDAAHN Cc1nc2ccc(CC(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)cc2[nH]1 ZINC000222487513 443078603 /nfs/dbraw/zinc/07/86/03/443078603.db2.gz CAEQISXCZZWYNG-QRVDHSFSSA-N 0 3 328.416 1.248 50 0 EDAAHN CC1=CCC[C@H](C)[C@@H]1CN1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000225401800 443101302 /nfs/dbraw/zinc/10/13/02/443101302.db2.gz SMRIUUKNHQXQDV-IPMKNSEASA-N 0 3 349.519 1.844 50 0 EDAAHN C[C@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)N1CCC[C@@H](C)C1 ZINC000229712852 443130522 /nfs/dbraw/zinc/13/05/22/443130522.db2.gz APLFLCDQFAREQL-RBSFLKMASA-N 0 3 345.509 1.037 50 0 EDAAHN CC(C)c1nc(C(=O)N2CCCNCC2)nn1-c1ccccc1F ZINC000236822175 443150031 /nfs/dbraw/zinc/15/00/31/443150031.db2.gz PYBBCWUDAPEJPK-UHFFFAOYSA-N 0 3 331.395 1.965 50 0 EDAAHN Cc1nc2c(c(C)n1)C[C@@H](CN1CCN(C3CCSCC3)CC1)O2 ZINC000240971685 443205217 /nfs/dbraw/zinc/20/52/17/443205217.db2.gz UBCNYEAYJJLTKT-INIZCTEOSA-N 0 3 348.516 1.910 50 0 EDAAHN 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441600649 /nfs/dbraw/zinc/60/06/49/441600649.db2.gz XLRHNWVAZSVLQL-KRWDZBQOSA-N 0 3 344.503 1.403 50 0 EDAAHN CCN(CCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1)C1CC1 ZINC000089969200 441607525 /nfs/dbraw/zinc/60/75/25/441607525.db2.gz YCRHOZFSEFYQCY-QGZVFWFLSA-N 0 3 345.443 1.015 50 0 EDAAHN NCc1cn(C2CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2)nn1 ZINC000067515471 441648128 /nfs/dbraw/zinc/64/81/28/441648128.db2.gz GXYHHVPTSJUXQV-INIZCTEOSA-N 0 3 339.443 1.705 50 0 EDAAHN COc1ccccc1C(=O)NCCNc1cc(N(C)C)nc(C)n1 ZINC000067622399 441659622 /nfs/dbraw/zinc/65/96/22/441659622.db2.gz NJZPMEUENGOWFC-UHFFFAOYSA-N 0 3 329.404 1.702 50 0 EDAAHN CC(=O)c1[nH]c(C)c(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)c1C ZINC000067819224 441683330 /nfs/dbraw/zinc/68/33/30/441683330.db2.gz QHLORZPOCMXUGI-UHFFFAOYSA-N 0 3 346.475 1.686 50 0 EDAAHN Cc1cc(N2Cc3cnn(CCO)c3C2)c2cc3c(cc2n1)OCO3 ZINC000067921375 441696760 /nfs/dbraw/zinc/69/67/60/441696760.db2.gz ZYAKFNUGSLCIGK-UHFFFAOYSA-N 0 3 338.367 1.981 50 0 EDAAHN COc1ccc2[n-]cc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)c(=O)c2c1 ZINC000067982328 441704583 /nfs/dbraw/zinc/70/45/83/441704583.db2.gz KLZBGLFXNHQWJJ-LJQANCHMSA-N 0 3 341.411 1.752 50 0 EDAAHN COc1ccc2[n-]cc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)c(=O)c2c1 ZINC000067982331 441704657 /nfs/dbraw/zinc/70/46/57/441704657.db2.gz KLZBGLFXNHQWJJ-IBGZPJMESA-N 0 3 341.411 1.752 50 0 EDAAHN Cc1cc(N2CC[C@]3(C2)CCCN(C2CCOCC2)C3=O)nc(N)n1 ZINC000091657315 441726372 /nfs/dbraw/zinc/72/63/72/441726372.db2.gz RKHNQDZAOBVKTG-SFHVURJKSA-N 0 3 345.447 1.365 50 0 EDAAHN Cc1noc2ncc(S(=O)(=O)NC[C@@H](N)c3ccccc3)cc12 ZINC000095432041 441924923 /nfs/dbraw/zinc/92/49/23/441924923.db2.gz ONGJHBJSBLTXKS-CQSZACIVSA-N 0 3 332.385 1.510 50 0 EDAAHN CN(C)CCOCCNC(=O)c1cccc(OCc2cccnc2)c1 ZINC000095465025 441932463 /nfs/dbraw/zinc/93/24/63/441932463.db2.gz VNAGBELEIDBMOQ-UHFFFAOYSA-N 0 3 343.427 1.969 50 0 EDAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CO ZINC000095525734 441948999 /nfs/dbraw/zinc/94/89/99/441948999.db2.gz 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442174026 /nfs/dbraw/zinc/17/40/26/442174026.db2.gz IYDOGEPYTVSMHF-QGZVFWFLSA-N 0 3 332.496 1.000 50 0 EDAAHN Cc1ncccc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000097081799 442163471 /nfs/dbraw/zinc/16/34/71/442163471.db2.gz LZVJBZFIIILJKU-QGZVFWFLSA-N 0 3 325.412 1.887 50 0 EDAAHN COc1cc2c(cc1F)ncnc2N1CCN(C[C@H]2CCOC2)CC1 ZINC000186141247 442470910 /nfs/dbraw/zinc/47/09/10/442470910.db2.gz CSTASYBASPPPJY-CYBMUJFWSA-N 0 3 346.406 1.936 50 0 EDAAHN CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000252476779 443025153 /nfs/dbraw/zinc/02/51/53/443025153.db2.gz BGMMJMGCTUCCLD-AVSUSHOZSA-N 0 3 341.521 1.944 50 0 EDAAHN CC1(C)CCCN(CCNC(=O)c2cncc(-n3ccnn3)c2)C1 ZINC000252482929 443027537 /nfs/dbraw/zinc/02/75/37/443027537.db2.gz DQISUXKHUAJXHF-UHFFFAOYSA-N 0 3 328.420 1.514 50 0 EDAAHN CC[C@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)CN1CCCC1=O ZINC000195531505 443030981 /nfs/dbraw/zinc/03/09/81/443030981.db2.gz UXEUSJVQDZAYJT-RBUKOAKNSA-N 0 3 345.487 1.566 50 0 EDAAHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000190344463 443088320 /nfs/dbraw/zinc/08/83/20/443088320.db2.gz DJBGDJWYFCCGTP-CHWSQXEVSA-N 0 3 337.370 1.989 50 0 EDAAHN C[C@H](C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)N1[C@H](C)CC[C@@H]1C ZINC000253369818 443050710 /nfs/dbraw/zinc/05/07/10/443050710.db2.gz IKKRSSPJORZFHD-BARDWOONSA-N 0 3 347.463 1.293 50 0 EDAAHN CSCCCN1CCCn2nc([C@H](O)c3ccnn3C)cc2C1 ZINC000221227052 443069841 /nfs/dbraw/zinc/06/98/41/443069841.db2.gz WFDDNQVKTFMZCM-INIZCTEOSA-N 0 3 335.477 1.657 50 0 EDAAHN O=C(c1ccc2c(c1)CCO2)N1CCCO[C@H](CN2CCCC2)C1 ZINC000221246971 443070051 /nfs/dbraw/zinc/07/00/51/443070051.db2.gz FNAFDWHJXYENDF-QGZVFWFLSA-N 0 3 330.428 1.948 50 0 EDAAHN CCS(=O)(=O)C(C)C(=O)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000221270680 443070099 /nfs/dbraw/zinc/07/00/99/443070099.db2.gz NWIJVBFISYSZPU-LLVKDONJSA-N 0 3 337.401 1.518 50 0 EDAAHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cccc(C(N)=O)c2)C1 ZINC000221748787 443072237 /nfs/dbraw/zinc/07/22/37/443072237.db2.gz 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/nfs/dbraw/zinc/00/08/35/487000835.db2.gz HARUHWGAQHMRFO-GFCCVEGCSA-N 0 3 346.399 1.436 50 0 EDAAHN Cn1cc(-c2ccccc2CNC(=O)[C@@H]2CN3CCN2CCC3)cn1 ZINC000677940844 487206702 /nfs/dbraw/zinc/20/67/02/487206702.db2.gz DVALTADDIWDSLD-SFHVURJKSA-N 0 3 339.443 1.093 50 0 EDAAHN COC[C@@H](O)CN(C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000083859393 486234927 /nfs/dbraw/zinc/23/49/27/486234927.db2.gz NLGOMEIPCAUKMV-LBPRGKRZSA-N 0 3 330.812 1.616 50 0 EDAAHN C[C@H]([C@H](C)NCC(=O)NC[C@@H]1COc2ccccc2O1)n1cccn1 ZINC000084139624 486246258 /nfs/dbraw/zinc/24/62/58/486246258.db2.gz VCIJHKJLUTYXHD-RRFJBIMHSA-N 0 3 344.415 1.378 50 0 EDAAHN Cc1cnc(CN(C)[C@H]2CCN(CCC(=O)N3CCCCC3)C2)o1 ZINC000084258836 486254315 /nfs/dbraw/zinc/25/43/15/486254315.db2.gz YKUPZQFJYYQJHI-INIZCTEOSA-N 0 3 334.464 1.892 50 0 EDAAHN CCn1ncc(S(=O)(=O)N(C)CCN(C)C2CCCC2)c1C ZINC000670471157 486562728 /nfs/dbraw/zinc/56/27/28/486562728.db2.gz YXPFWSBJLWBTOV-UHFFFAOYSA-N 0 3 328.482 1.706 50 0 EDAAHN COC(=O)c1ccccc1CCN1CCC(N2CCNC2=O)CC1 ZINC000186688227 534289132 /nfs/dbraw/zinc/28/91/32/534289132.db2.gz AXHJYQBAZPZJHZ-UHFFFAOYSA-N 0 3 331.416 1.505 50 0 EDAAHN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000190130573 527747373 /nfs/dbraw/zinc/74/73/73/527747373.db2.gz NGVSCZOUTLOWPA-WBVHZDCISA-N 0 3 346.475 1.817 50 0 EDAAHN CC(C)c1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)nc2ncnn21 ZINC000215375590 535354832 /nfs/dbraw/zinc/35/48/32/535354832.db2.gz MDAKAUQDMCJPBV-QWHCGFSZSA-N 0 3 328.420 1.556 50 0 EDAAHN O=C(NCCCCN1CCN(c2ccccc2)CC1)N1CCOCC1 ZINC000056330441 214370514 /nfs/dbraw/zinc/37/05/14/214370514.db2.gz LHHMMZRTUGYGCT-UHFFFAOYSA-N 0 3 346.475 1.631 50 0 EDAAHN Cc1ccnc(C(=O)NCCNc2cc(N3CCCC3)nc(C)n2)n1 ZINC000056906839 214394243 /nfs/dbraw/zinc/39/42/43/214394243.db2.gz JOESAPYAMHYKCC-UHFFFAOYSA-N 0 3 341.419 1.326 50 0 EDAAHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000032073086 202220760 /nfs/dbraw/zinc/22/07/60/202220760.db2.gz MJROVAIHDXLELD-NSHDSACASA-N 0 3 341.433 1.026 50 0 EDAAHN Cc1nnc(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)s1 ZINC000033010981 202247529 /nfs/dbraw/zinc/24/75/29/202247529.db2.gz CXBPZVYNQCFRQA-UHFFFAOYSA-N 0 3 333.417 1.390 50 0 EDAAHN Cc1nc2n(n1)C[C@H](NCC(=O)N1CCC[C@H]3CCCC[C@@H]31)CC2 ZINC000069709188 202290494 /nfs/dbraw/zinc/29/04/94/202290494.db2.gz WFFWPWJWRJMRIW-OAGGEKHMSA-N 0 3 331.464 1.672 50 0 EDAAHN Cc1ccc(N2CCC[C@@H](NCC(=O)NCc3cccs3)C2)nn1 ZINC000069921072 202297965 /nfs/dbraw/zinc/29/79/65/202297965.db2.gz HEDUYPWITOKEEX-CQSZACIVSA-N 0 3 345.472 1.721 50 0 EDAAHN COc1ccc(CNC[C@@H]2CN(C)CCO2)cc1Br ZINC000069929865 202298365 /nfs/dbraw/zinc/29/83/65/202298365.db2.gz SWPKQNVUGXKMST-GFCCVEGCSA-N 0 3 329.238 1.878 50 0 EDAAHN CC(C)[C@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1cccs1 ZINC000069952196 202298485 /nfs/dbraw/zinc/29/84/85/202298485.db2.gz QPRZMCWAHLXYKJ-PBHICJAKSA-N 0 3 339.505 1.824 50 0 EDAAHN CCN1CCN(C(=O)[C@@H](C)N2CCC[C@@H]2Cn2nc(C)cc2C)CC1 ZINC000071876044 202352469 /nfs/dbraw/zinc/35/24/69/202352469.db2.gz MHWZGCCHRCMYBL-QZTJIDSGSA-N 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0 3 348.487 1.779 50 0 EDAAHN CCN1CC[C@H]2OCCN(C(=O)Cn3cc4ccccc4n3)[C@H]2C1 ZINC000329389855 539433331 /nfs/dbraw/zinc/43/33/31/539433331.db2.gz SAEDIWZCHTTYBH-DLBZAZTESA-N 0 3 328.416 1.358 50 0 EDAAHN COc1ccc2[nH]c(=O)c(CNCCCN3CCOCC3)cc2c1 ZINC000004131208 210128283 /nfs/dbraw/zinc/12/82/83/210128283.db2.gz IEWZQQAAFANVIX-UHFFFAOYSA-N 0 3 331.416 1.349 50 0 EDAAHN Cc1noc(CCCN2CCCC[C@H]2c2[nH]ncc2C(=O)N(C)C)n1 ZINC000685939849 539576572 /nfs/dbraw/zinc/57/65/72/539576572.db2.gz CXLXEJRBRDBJRK-AWEZNQCLSA-N 0 3 346.435 1.963 50 0 EDAAHN Cc1nc2cc(C(=O)N[C@@H](C)c3nnc4n3CCNCC4)ccc2[nH]1 ZINC000067514436 215157680 /nfs/dbraw/zinc/15/76/80/215157680.db2.gz XZFUPZFGQACPGZ-JTQLQIEISA-N 0 3 339.403 1.100 50 0 EDAAHN CN1CC[C@@](C)(CNC(=O)CCc2nc3ccccc3[nH]c2=O)C1 ZINC000067712946 215191535 /nfs/dbraw/zinc/19/15/35/215191535.db2.gz SMNBXWGCUBIEGM-SFHVURJKSA-N 0 3 328.416 1.314 50 0 EDAAHN COCCN1CCC(C(=O)N2Cc3cnc(CC(C)C)nc3C2)CC1 ZINC000067723178 215195103 /nfs/dbraw/zinc/19/51/03/215195103.db2.gz GFVCWFRAXFWLRO-UHFFFAOYSA-N 0 3 346.475 1.876 50 0 EDAAHN COc1ccc(-n2cccn2)c(CN2CC[C@@H](CNC(C)=O)C2)c1 ZINC000067756254 215204190 /nfs/dbraw/zinc/20/41/90/215204190.db2.gz GMRLQRPVBMVBDL-HNNXBMFYSA-N 0 3 328.416 1.839 50 0 EDAAHN O=C1N(CC2CCCCC2)CCC[C@@]1(O)CNCCc1cnccn1 ZINC000067755769 215205458 /nfs/dbraw/zinc/20/54/58/215205458.db2.gz DISGFFSNAFFPON-LJQANCHMSA-N 0 3 346.475 1.543 50 0 EDAAHN Cc1ncccc1C(=O)N[C@H](CC(C)C)c1nnc2n1CCNCC2 ZINC000067842334 215227209 /nfs/dbraw/zinc/22/72/09/215227209.db2.gz XPXPAOYETDUOBJ-OAHLLOKOSA-N 0 3 342.447 1.644 50 0 EDAAHN Cc1ccc(CN2CCC[C@@H](CNC(=O)Cn3cncn3)C2)cc1 ZINC000067855561 215233526 /nfs/dbraw/zinc/23/35/26/215233526.db2.gz UYMQFWOYTONVRS-KRWDZBQOSA-N 0 3 327.432 1.615 50 0 EDAAHN CN1CCC(Cc2noc(-c3cccc(-n4cnnc4)n3)n2)CC1 ZINC000067868919 215235666 /nfs/dbraw/zinc/23/56/66/215235666.db2.gz YABQLXZPMRRWBS-UHFFFAOYSA-N 0 3 325.376 1.597 50 0 EDAAHN C[C@@H]1C[C@H]1C(=O)NCCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000068313554 215298731 /nfs/dbraw/zinc/29/87/31/215298731.db2.gz BKWYVEVGEIYDPL-RHSMWYFYSA-N 0 3 349.450 1.878 50 0 EDAAHN Cn1cc(N2CC[C@@H](N3CCC[C@@H](Cc4nccn4C)C3)C2=O)cn1 ZINC000104320969 219373783 /nfs/dbraw/zinc/37/37/83/219373783.db2.gz WQNINEUDOUXFFB-GOEBONIOSA-N 0 3 342.447 1.214 50 0 EDAAHN Cc1cc(CS(=O)(=O)C(C)C(=O)N2C[C@H](C)C[C@H](C)C2)no1 ZINC000040528884 213338838 /nfs/dbraw/zinc/33/88/38/213338838.db2.gz JGAGXJZEFLHMCZ-LOWVWBTDSA-N 0 3 328.434 1.791 50 0 EDAAHN CC(C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1ccccc1F ZINC000040528440 213337736 /nfs/dbraw/zinc/33/77/36/213337736.db2.gz SNUNFPNIVFCMQC-DGCLKSJQSA-N 0 3 329.393 1.424 50 0 EDAAHN CNC(=O)C(C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000040528480 213336866 /nfs/dbraw/zinc/33/68/66/213336866.db2.gz SHHZIRHENIRSTF-VIFPVBQESA-N 0 3 347.820 1.551 50 0 EDAAHN COCCN1CCC[C@H]1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116549420 138311919 /nfs/dbraw/zinc/31/19/19/138311919.db2.gz VBDMCZGBIBBIKC-HOCLYGCPSA-N 0 3 335.452 1.030 50 0 EDAAHN Cc1nccn1[C@@H](C)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000071278827 215749621 /nfs/dbraw/zinc/74/96/21/215749621.db2.gz ZXDFDNIRKWOCBV-AWEZNQCLSA-N 0 3 342.447 1.216 50 0 EDAAHN CCn1cc(CN2CCC(Cc3n[nH]c(=O)n3CC)CC2)c(C)n1 ZINC000071748071 215804651 /nfs/dbraw/zinc/80/46/51/215804651.db2.gz BCAZGZAVRVZPGG-UHFFFAOYSA-N 0 3 332.452 1.571 50 0 EDAAHN COc1ccccc1[C@@H]1CN(C(=O)CCO)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072129790 216020063 /nfs/dbraw/zinc/02/00/63/216020063.db2.gz HEYQUBAWOQYRAY-KFKAGJAMSA-N 0 3 330.428 1.466 50 0 EDAAHN Cc1c[nH]c(CN2CCC3(C[C@H](C(=O)[O-])[N@H+](C)C3)CC2)c(C)c1=O ZINC000072141860 216027121 /nfs/dbraw/zinc/02/71/21/216027121.db2.gz GOVCDTPVAASDJV-OAHLLOKOSA-N 0 3 333.432 1.363 50 0 EDAAHN Cc1c[nH]c(CN2CCC3(C[C@H](C(=O)[O-])[N@@H+](C)C3)CC2)c(C)c1=O ZINC000072141860 216027124 /nfs/dbraw/zinc/02/71/24/216027124.db2.gz GOVCDTPVAASDJV-OAHLLOKOSA-N 0 3 333.432 1.363 50 0 EDAAHN c1cn([C@@H]2CCCc3nccnc32)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072407942 216199257 /nfs/dbraw/zinc/19/92/57/216199257.db2.gz VFSUAUWQODZBTO-MRXNPFEDSA-N 0 3 335.415 1.956 50 0 EDAAHN CSCC[C@H](O)C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000072430874 216223144 /nfs/dbraw/zinc/22/31/44/216223144.db2.gz KFTYWJQQKOQUQE-SFHVURJKSA-N 0 3 348.512 1.802 50 0 EDAAHN CN1CCC(N(CCc2ccccc2)C(=O)[C@H]2COCCO2)CC1 ZINC000072431856 216225569 /nfs/dbraw/zinc/22/55/69/216225569.db2.gz FGRXXSRXZDHKTN-GOSISDBHSA-N 0 3 332.444 1.567 50 0 EDAAHN Cc1ncc2c(c1CNC(=O)CCc1ccc(O)cc1)CCNC2 ZINC000072457017 216242209 /nfs/dbraw/zinc/24/22/09/216242209.db2.gz KBWCYXMYEHPOGN-UHFFFAOYSA-N 0 3 325.412 1.990 50 0 EDAAHN CC(=O)C1(c2ccccc2)CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000072480786 216260801 /nfs/dbraw/zinc/26/08/01/216260801.db2.gz GPWZULZFUOHTSW-KRWDZBQOSA-N 0 3 330.428 1.514 50 0 EDAAHN CN(C)Cc1ccccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000024808206 212441385 /nfs/dbraw/zinc/44/13/85/212441385.db2.gz YEXVVDRBGHQBEE-GJZGRUSLSA-N 0 3 341.411 1.638 50 0 EDAAHN COCCN1CCC(CNS(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000022999883 212341846 /nfs/dbraw/zinc/34/18/46/212341846.db2.gz MJKYDUWYDCFPNI-UHFFFAOYSA-N 0 3 344.452 1.604 50 0 EDAAHN N[C@@H]1CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C1 ZINC000132675175 223353706 /nfs/dbraw/zinc/35/37/06/223353706.db2.gz FQZZKQVSCABQON-MRXNPFEDSA-N 0 3 344.436 1.834 50 0 EDAAHN CCn1ncnc1CN1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000216377995 241185330 /nfs/dbraw/zinc/18/53/30/241185330.db2.gz GCWURWYMWHFFRZ-SFHVURJKSA-N 0 3 325.460 1.973 50 0 EDAAHN NC(=O)COc1ccc(CN2CC(N3CCCCC3)C2)cc1Cl ZINC000216485416 241194771 /nfs/dbraw/zinc/19/47/71/241194771.db2.gz SCKPUMSBYAPTHR-UHFFFAOYSA-N 0 3 337.851 1.874 50 0 EDAAHN CCN1CCN(CCCNc2nn3nnnc3c3ccccc32)CC1 ZINC000020854528 212176812 /nfs/dbraw/zinc/17/68/12/212176812.db2.gz HSDGWZIEICCYHY-UHFFFAOYSA-N 0 3 340.435 1.112 50 0 EDAAHN OCCN1CCN(C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000019868394 212077444 /nfs/dbraw/zinc/07/74/44/212077444.db2.gz VYPLILTUXBXNJO-UHFFFAOYSA-N 0 3 337.895 1.914 50 0 EDAAHN Cn1cc(N2CCC[C@H](NC[C@H]3CCCn4ccnc43)C2=O)cn1 ZINC000084318622 217595716 /nfs/dbraw/zinc/59/57/16/217595716.db2.gz MGJQWLZASHOUPZ-HIFRSBDPSA-N 0 3 328.420 1.279 50 0 EDAAHN CN(C)[C@@H]1CCN(C(=O)c2cn(Cc3c(F)cccc3F)nn2)C1 ZINC000012223789 211325694 /nfs/dbraw/zinc/32/56/94/211325694.db2.gz QUQSNYGBCCLICO-LLVKDONJSA-N 0 3 335.358 1.381 50 0 EDAAHN COCc1ncc(CN2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cn1 ZINC000091616671 218031621 /nfs/dbraw/zinc/03/16/21/218031621.db2.gz YVPMIFCRKTYQSA-LJQANCHMSA-N 0 3 344.459 1.848 50 0 EDAAHN Cc1ccc2nc(CN3CCN(C)[C@]4(C3)CCNC(=O)CC4)cn2c1 ZINC000091846124 218076073 /nfs/dbraw/zinc/07/60/73/218076073.db2.gz VKTKHAHKAZMKMD-IBGZPJMESA-N 0 3 341.459 1.429 50 0 EDAAHN CN(Cc1ccccc1)C(=O)CCN1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000091906710 218087155 /nfs/dbraw/zinc/08/71/55/218087155.db2.gz FBZWQNFIQBZJSS-CALCHBBNSA-N 0 3 332.444 1.243 50 0 EDAAHN Cn1c(CN2CCC(Cc3ccccc3)CC2)cc(=O)n(C)c1=O ZINC000009881873 211130571 /nfs/dbraw/zinc/13/05/71/211130571.db2.gz HNUMFCTYNKAKPQ-UHFFFAOYSA-N 0 3 327.428 1.539 50 0 EDAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3CC(=O)N(C)C)C2)cc1 ZINC000095352439 218287454 /nfs/dbraw/zinc/28/74/54/218287454.db2.gz RTKCAVNFXGYXCA-DLBZAZTESA-N 0 3 331.460 1.680 50 0 EDAAHN COC[C@@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1ccnn1C ZINC000095360514 218292909 /nfs/dbraw/zinc/29/29/09/218292909.db2.gz COESMLSQIAXNIW-MRXNPFEDSA-N 0 3 346.431 1.729 50 0 EDAAHN Cc1cc(NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)nc(N)n1 ZINC000095358660 218292151 /nfs/dbraw/zinc/29/21/51/218292151.db2.gz JRMVZYQQOYPPAA-UHFFFAOYSA-N 0 3 344.423 1.063 50 0 EDAAHN Cc1cc(N2C[C@H]3COc4ccccc4C[C@@]3(CO)C2)nc(N)n1 ZINC000095382226 218314454 /nfs/dbraw/zinc/31/44/54/218314454.db2.gz LXVYXQGXABVGHF-KSSFIOAISA-N 0 3 326.400 1.417 50 0 EDAAHN Cc1ccc(CN2CCN(CC(=O)NCCN3CCCC3)C2=O)cc1 ZINC000004930902 210327195 /nfs/dbraw/zinc/32/71/95/210327195.db2.gz KWSXYPAJHOQOAU-UHFFFAOYSA-N 0 3 344.459 1.445 50 0 EDAAHN C[C@H](CCNC(=O)c1ccc2nccnc2c1)N1CCN(C)CC1 ZINC000097475014 219028731 /nfs/dbraw/zinc/02/87/31/219028731.db2.gz WDVGRVHKPAFUGB-CQSZACIVSA-N 0 3 327.432 1.386 50 0 EDAAHN O=C(CN1C(=O)COc2ccc(Cl)cc21)NCCN1CCCC1 ZINC000044895870 132415642 /nfs/dbraw/zinc/41/56/42/132415642.db2.gz WAAWFEVPAVWYKZ-UHFFFAOYSA-N 0 3 337.807 1.277 50 0 EDAAHN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000095432127 295264254 /nfs/dbraw/zinc/26/42/54/295264254.db2.gz BOXSCZQAFRTHEW-JTQLQIEISA-N 0 3 326.315 1.860 50 0 EDAAHN CCS(=O)(=O)N1CCC(C(=O)NCCN2CCCC[C@@H]2C)CC1 ZINC000000262546 440811174 /nfs/dbraw/zinc/81/11/74/440811174.db2.gz HBHSCOKLORZUMF-AWEZNQCLSA-N 0 3 345.509 1.039 50 0 EDAAHN Cc1cc(CS(=O)(=O)C(C)C(=O)N(C)Cc2ccccc2)no1 ZINC000044938601 440916726 /nfs/dbraw/zinc/91/67/26/440916726.db2.gz TYAUOMHTQORIAF-ZDUSSCGKSA-N 0 3 336.413 1.945 50 0 EDAAHN CN(C)CCNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000003041255 440888529 /nfs/dbraw/zinc/88/85/29/440888529.db2.gz OXISWCQYYBBCSG-UHFFFAOYSA-N 0 3 333.819 1.841 50 0 EDAAHN Cc1nccn1CCCC(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 ZINC000069979377 441100708 /nfs/dbraw/zinc/10/07/08/441100708.db2.gz SWEGZAOIEKBPOW-MRXNPFEDSA-N 0 3 336.480 1.523 50 0 EDAAHN CC(C(=O)NC1CC1)S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000046112375 441082654 /nfs/dbraw/zinc/08/26/54/441082654.db2.gz INGNDACPKJPQBS-NSHDSACASA-N 0 3 334.397 1.924 50 0 EDAAHN CC(C)CNC(=O)C(C)S(=O)(=O)Cc1noc(CC(C)C)n1 ZINC000046163651 441087958 /nfs/dbraw/zinc/08/79/58/441087958.db2.gz PQFPMPGVQUONPI-NSHDSACASA-N 0 3 331.438 1.344 50 0 EDAAHN CSCCCN1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000012749928 441141306 /nfs/dbraw/zinc/14/13/06/441141306.db2.gz YTZYGTZFZSYORV-HNNXBMFYSA-N 0 3 346.460 1.818 50 0 EDAAHN Cc1ccccc1CNC(=O)CNC[C@@H]1CCCN1c1cccnn1 ZINC000071859870 441172369 /nfs/dbraw/zinc/17/23/69/441172369.db2.gz CJOFALSPVUHRCU-KRWDZBQOSA-N 0 3 339.443 1.660 50 0 EDAAHN CCN(CC(=O)NC(=O)NC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058289829 441172978 /nfs/dbraw/zinc/17/29/78/441172978.db2.gz UYJHGQRMIRMHOU-GOEBONIOSA-N 0 3 332.448 1.599 50 0 EDAAHN O=C(CN[C@@H]1CCc2ncnn2C1)Nc1ccnn1C1CCCC1 ZINC000071871733 441177617 /nfs/dbraw/zinc/17/76/17/441177617.db2.gz MLPYESONLGGUJX-GFCCVEGCSA-N 0 3 329.408 1.133 50 0 EDAAHN Cc1nn(C)c(C)c1NC(=O)CN[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000071871796 441177661 /nfs/dbraw/zinc/17/76/61/441177661.db2.gz OVZQNQSERUMCRP-ZDUSSCGKSA-N 0 3 345.451 1.295 50 0 EDAAHN O[C@H](COc1ccc2c(c1)OCO2)CN1CCC[C@@H]1Cn1cccn1 ZINC000071875736 441178587 /nfs/dbraw/zinc/17/85/87/441178587.db2.gz VPIQXNOZROLQGN-CABCVRRESA-N 0 3 345.399 1.516 50 0 EDAAHN COc1ccc([C@H](NC(=O)CNC[C@H]2CN(C)CCO2)C2CC2)cc1 ZINC000071879299 441182215 /nfs/dbraw/zinc/18/22/15/441182215.db2.gz PNBLLWGYBIJNHB-PKOBYXMFSA-N 0 3 347.459 1.183 50 0 EDAAHN CN(CCN1CCCC1)C(=O)[C@@H]1CCCCN1Cc1ccncc1 ZINC000071883696 441183926 /nfs/dbraw/zinc/18/39/26/441183926.db2.gz XJRHEDWNBPTBMT-SFHVURJKSA-N 0 3 330.476 1.990 50 0 EDAAHN Cc1nonc1CN(C)c1nc(-c2cccnc2)nc2c1CCNC2 ZINC000071760837 441152859 /nfs/dbraw/zinc/15/28/59/441152859.db2.gz MSNBLCMYNQYEIH-UHFFFAOYSA-N 0 3 337.387 1.512 50 0 EDAAHN CC(C)[NH2+]Cc1cc(=O)n2nc(NCc3ccc(F)cc3)[n-]c2n1 ZINC000101796454 441162216 /nfs/dbraw/zinc/16/22/16/441162216.db2.gz NIYMFHUEHLSALV-UHFFFAOYSA-N 0 3 330.367 1.667 50 0 EDAAHN Cn1nc(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)ccc1=O ZINC000014960807 441191592 /nfs/dbraw/zinc/19/15/92/441191592.db2.gz SNJRCYOBYRBJKE-INIZCTEOSA-N 0 3 340.427 1.217 50 0 EDAAHN CC(C)c1nn(C)c(N2CCOCC2)c1CN[C@H](C)Cn1ccnc1 ZINC000058412684 441192678 /nfs/dbraw/zinc/19/26/78/441192678.db2.gz JPAWZLZHNZHJGX-OAHLLOKOSA-N 0 3 346.479 1.755 50 0 EDAAHN C[C@H](OC[C@H](O)CNC[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1 ZINC000072254050 441210594 /nfs/dbraw/zinc/21/05/94/441210594.db2.gz RIMQWFGSNOPHFA-IAOVAPTHSA-N 0 3 342.867 1.699 50 0 EDAAHN Cc1cccc2c1ncn(CCC(=O)NC[C@@H]1CCCN1C)c2=O ZINC000048274838 441282620 /nfs/dbraw/zinc/28/26/20/441282620.db2.gz HSCNQVIXWPMVED-AWEZNQCLSA-N 0 3 328.416 1.305 50 0 EDAAHN CCCN1CCCn2nc(CNC(=O)[C@H](CC)n3cccn3)cc2C1 ZINC000082098817 441332281 /nfs/dbraw/zinc/33/22/81/441332281.db2.gz 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/nfs/dbraw/zinc/19/50/05/443195005.db2.gz RABYNCSEZYYUAQ-SECBINFHSA-N 0 3 330.182 1.257 50 0 EDAAHN CN1CCC[C@@H]1CNCc1ccccc1OCC(=O)N1CCCC1 ZINC000237081634 443158071 /nfs/dbraw/zinc/15/80/71/443158071.db2.gz YZNWQNQSYMTMPP-QGZVFWFLSA-N 0 3 331.460 1.872 50 0 EDAAHN C[C@H](CNc1nc2c(cnn2C)c(N)n1)N1CCc2ccccc2C1 ZINC000278427700 443328330 /nfs/dbraw/zinc/32/83/30/443328330.db2.gz PHEHIOORLNCTRH-GFCCVEGCSA-N 0 3 337.431 1.804 50 0 EDAAHN COCCn1cc(CNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cn1 ZINC000367097766 446506198 /nfs/dbraw/zinc/50/61/98/446506198.db2.gz CCZFRSWRGJXHCM-HOTGVXAUSA-N 0 3 335.452 1.155 50 0 EDAAHN O=C(N[C@H]1CNCC[C@H]1O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000534576762 448453198 /nfs/dbraw/zinc/45/31/98/448453198.db2.gz ZVVXYDWIRRMDHG-WDEREUQCSA-N 0 3 328.294 1.034 50 0 EDAAHN CCN1CCN(C2CCN(C(=O)NCc3ccc(O)cc3)CC2)CC1 ZINC000534649408 448460530 /nfs/dbraw/zinc/46/05/30/448460530.db2.gz DMNZSCZFTGSIIR-UHFFFAOYSA-N 0 3 346.475 1.704 50 0 EDAAHN CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673512885 487031135 /nfs/dbraw/zinc/03/11/35/487031135.db2.gz JTVYWAVLHZONOD-DJIMGWMZSA-N 0 3 346.427 1.324 50 0 EDAAHN O=C(NCCc1cc(F)ccc1F)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000083214898 486179715 /nfs/dbraw/zinc/17/97/15/486179715.db2.gz UUAYVNGNUSGANR-CABCVRRESA-N 0 3 339.386 1.670 50 0 EDAAHN CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1cccc2c1OCO2 ZINC000084736374 486282962 /nfs/dbraw/zinc/28/29/62/486282962.db2.gz DTHZCZBPETTZEW-OCCSQVGLSA-N 0 3 340.445 1.565 50 0 EDAAHN O=C(NCCCN1CCc2ccccc2C1)[C@H]1CCCCC(=O)N1 ZINC000169774212 486462283 /nfs/dbraw/zinc/46/22/83/486462283.db2.gz XAEJSFVRKWYAJG-QGZVFWFLSA-N 0 3 329.444 1.610 50 0 EDAAHN COCCN1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000670473791 486567768 /nfs/dbraw/zinc/56/77/68/486567768.db2.gz CEPJQYWTSPXSIS-LLVKDONJSA-N 0 3 331.338 1.799 50 0 EDAAHN CCN(C)[C@@H](C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000229293813 535759971 /nfs/dbraw/zinc/75/99/71/535759971.db2.gz 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/nfs/dbraw/zinc/39/32/35/219393235.db2.gz CPHGNEUDHVTXCR-GOSISDBHSA-N 0 3 336.476 1.582 50 0 EDAAHN CCC[NH+](CCC)[C@@H](C)C(=O)N1CCc2nc(C)[n-]c(=O)c2CC1 ZINC000067741476 283215111 /nfs/dbraw/zinc/21/51/11/283215111.db2.gz YQBZXAZYHFEVJD-ZDUSSCGKSA-N 0 3 334.464 1.516 50 0 EDAAHN O=C(c1[nH]nc2c1CNCC2)N1CCN(Cc2ccccc2)CC1 ZINC000035933494 213051698 /nfs/dbraw/zinc/05/16/98/213051698.db2.gz FNHOSYLZZBHMGF-UHFFFAOYSA-N 0 3 325.416 1.013 50 0 EDAAHN CN(C)CCNC(=O)COc1cccc(I)c1 ZINC000193888055 240348808 /nfs/dbraw/zinc/34/88/08/240348808.db2.gz KTMGWHKXDCCUNV-UHFFFAOYSA-N 0 3 348.184 1.348 50 0 EDAAHN Cc1c(Cl)cccc1NC(=O)NCCN1CCC[C@@H](C(N)=O)C1 ZINC000096163831 237028490 /nfs/dbraw/zinc/02/84/90/237028490.db2.gz DHOVJQIZNHRVDB-GFCCVEGCSA-N 0 3 338.839 1.967 50 0 EDAAHN COCCC1(CN2CCC[C@@H](NS(C)(=O)=O)C2)CCCCC1 ZINC000189665504 237121569 /nfs/dbraw/zinc/12/15/69/237121569.db2.gz DGMUMNIZFXGNDL-OAHLLOKOSA-N 0 3 332.510 1.987 50 0 EDAAHN COC(=O)c1n[nH]cc1CN(C)C[C@@H]1Cc2ccccc2CN1C 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ZINC000095941106 218454365 /nfs/dbraw/zinc/45/43/65/218454365.db2.gz MMRBNUCCPNKUIE-UHFFFAOYSA-N 0 3 340.427 1.901 50 0 EDAAHN CC(C)(C)c1n[nH]cc1CNC[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000097159493 218977693 /nfs/dbraw/zinc/97/76/93/218977693.db2.gz WHHQTGURASUZFH-ZBFHGGJFSA-N 0 3 336.480 1.534 50 0 EDAAHN Cc1c2cccc(F)c2[nH]c1C(=O)NCCN1CCC[C@H](C(N)=O)C1 ZINC000097505444 219031755 /nfs/dbraw/zinc/03/17/55/219031755.db2.gz GFRDXURJOHGYRF-LBPRGKRZSA-N 0 3 346.406 1.543 50 0 EDAAHN CCn1c(C)ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1=O ZINC000299771490 258084203 /nfs/dbraw/zinc/08/42/03/258084203.db2.gz OZVXGGYTQKRLFR-INIZCTEOSA-N 0 3 347.459 1.550 50 0 EDAAHN Cc1c[nH]c(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c(C)c1=O ZINC000299782221 258090555 /nfs/dbraw/zinc/09/05/55/258090555.db2.gz MJOFBIDNZUFPET-HIRMHNASSA-N 0 3 348.443 1.392 50 0 EDAAHN C[C@H](Cn1cncn1)C(=O)NCC1(c2ccccc2)CCN(C)CC1 ZINC000299796008 258100432 /nfs/dbraw/zinc/10/04/32/258100432.db2.gz MYFPSGXVXQIPEJ-MRXNPFEDSA-N 0 3 341.459 1.694 50 0 EDAAHN [NH3+]C1CCN(c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)CC1 ZINC000299803804 258105867 /nfs/dbraw/zinc/10/58/67/258105867.db2.gz DSSWCPCUSGCGSA-UHFFFAOYSA-N 0 3 339.443 1.668 50 0 EDAAHN Cc1cc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)ccn1 ZINC000270987620 140214158 /nfs/dbraw/zinc/21/41/58/140214158.db2.gz BDWYUJHQVUXIFB-GOSISDBHSA-N 0 3 340.427 1.931 50 0 EDAAHN O=C([C@H]1C[C@H](F)CN1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000275556603 268359789 /nfs/dbraw/zinc/35/97/89/268359789.db2.gz URFZDEXPDLMOHE-GOEBONIOSA-N 0 3 328.391 1.583 50 0 EDAAHN CCc1c(C)nc2ccccc2c1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000097046802 276657268 /nfs/dbraw/zinc/65/72/68/276657268.db2.gz MMINIWFAZWOKRT-ZDUSSCGKSA-N 0 3 338.411 1.253 50 0 EDAAHN CC(=O)Nc1ccc(CC(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000069775272 278196413 /nfs/dbraw/zinc/19/64/13/278196413.db2.gz GFRHNEQRCWRJHN-GOSISDBHSA-N 0 3 347.459 1.397 50 0 EDAAHN COc1ccc(NC(=O)CCN2CCC(C(N)=O)CC2)c(OC)c1 ZINC000000256858 440810004 /nfs/dbraw/zinc/81/00/04/440810004.db2.gz XYRYWZYLHMXQMJ-UHFFFAOYSA-N 0 3 335.404 1.230 50 0 EDAAHN C[NH2+]CCCN[C@@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000008486130 441094101 /nfs/dbraw/zinc/09/41/01/441094101.db2.gz NWLYHPYJBMZEKU-LBPRGKRZSA-N 0 3 343.811 1.330 50 0 EDAAHN CCOc1ccccc1-c1noc(CN2CCO[C@H](CN(C)C)C2)n1 ZINC000069951364 441095898 /nfs/dbraw/zinc/09/58/98/441095898.db2.gz XQGREOXKFINEPW-CQSZACIVSA-N 0 3 346.431 1.898 50 0 EDAAHN COc1cccc(CN2CCC[C@](O)(CNC3CC3)C2=O)c1OC ZINC000071278974 441143525 /nfs/dbraw/zinc/14/35/25/441143525.db2.gz QHLXHYNLTKURDA-SFHVURJKSA-N 0 3 334.416 1.309 50 0 EDAAHN O=C(CN1CCC(NCc2cccc3c2OCO3)CC1)N1CCCC1 ZINC000071837232 441165258 /nfs/dbraw/zinc/16/52/58/441165258.db2.gz WFGWEUCIEHCFEQ-UHFFFAOYSA-N 0 3 345.443 1.592 50 0 EDAAHN CCCS(=O)(=O)C(C)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000071863420 441172987 /nfs/dbraw/zinc/17/29/87/441172987.db2.gz XWKMEIWIBTXBTL-LBPRGKRZSA-N 0 3 340.449 1.093 50 0 EDAAHN O=C(NCCCn1cncn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000058342694 441183035 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CN(Cc1c(F)cccc1Cl)C(=O)CNC[C@H]1CN(C)CCO1 ZINC000072267969 441211751 /nfs/dbraw/zinc/21/17/51/441211751.db2.gz PWNPKSNJUBRJPY-LBPRGKRZSA-N 0 3 343.830 1.358 50 0 EDAAHN CCCS(=O)(=O)C(C)C(=O)N1CCc2nnc(NCC)cc2C1 ZINC000072279575 441218212 /nfs/dbraw/zinc/21/82/12/441218212.db2.gz VDKJPUXVUYASCS-LLVKDONJSA-N 0 3 340.449 1.006 50 0 EDAAHN CC(C)S(=O)(=O)N1CC[C@H](NCc2ccc(CO)o2)[C@@H](C)C1 ZINC000072300653 441227170 /nfs/dbraw/zinc/22/71/70/441227170.db2.gz UBGFKTVXGGMYIU-WFASDCNBSA-N 0 3 330.450 1.310 50 0 EDAAHN CCOC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC1 ZINC000022023192 441276817 /nfs/dbraw/zinc/27/68/17/441276817.db2.gz XOPFYHSPBPXIRU-CABCVRRESA-N 0 3 345.443 1.888 50 0 EDAAHN O=c1ccnc2sc(N[C@H]3CCN(Cc4ccccc4)C3)nn21 ZINC000048235339 441276936 /nfs/dbraw/zinc/27/69/36/441276936.db2.gz KNLZDEIWNAELLX-ZDUSSCGKSA-N 0 3 327.413 1.837 50 0 EDAAHN CC(C)NC(=O)Nc1ccc2c(c1)ncn2CC(=O)NCCN(C)C ZINC000061720150 441285504 /nfs/dbraw/zinc/28/55/04/441285504.db2.gz RRSJLTOHEWMELQ-UHFFFAOYSA-N 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C[C@@H](CN1CC2(CCN(C(CO)CO)CC2)OC1=O)c1ccccc1 ZINC000072431517 216223642 /nfs/dbraw/zinc/22/36/42/216223642.db2.gz FYNGTTJONWZJIJ-HNNXBMFYSA-N 0 3 348.443 1.430 50 0 EDAAHN COc1c(CNC[C@H](O)CN2CCc3ccccc3C2)c(C)nn1C ZINC000058316935 201141670 /nfs/dbraw/zinc/14/16/70/201141670.db2.gz FSHVURBNGNRGQP-KRWDZBQOSA-N 0 3 344.459 1.246 50 0 EDAAHN Cc1cc2n(n1)C[C@@H](CNCC(=O)N(C)Cc1ccccc1)CN2 ZINC000058341613 201141828 /nfs/dbraw/zinc/14/18/28/201141828.db2.gz YMWYTAQOYUYLSQ-INIZCTEOSA-N 0 3 327.432 1.481 50 0 EDAAHN CCc1nnc2n1C[C@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cn1)CC2 ZINC000097199514 201383305 /nfs/dbraw/zinc/38/33/05/201383305.db2.gz UJNNSVKFWCJSJI-CMPLNLGQSA-N 0 3 348.838 1.821 50 0 EDAAHN Cc1noc(CN2CCN(C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230209180 242250094 /nfs/dbraw/zinc/25/00/94/242250094.db2.gz WSBZAPJGTRVXFE-GOSISDBHSA-N 0 3 347.463 1.287 50 0 EDAAHN O=C1CN(CCN2C[C@H]3CC[C@@H]2C3)CCN1Cc1ccc(F)cc1 ZINC000244626543 243043435 /nfs/dbraw/zinc/04/34/35/243043435.db2.gz 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/nfs/dbraw/zinc/01/65/02/203016502.db2.gz NBJMGBBIQORKDI-UHFFFAOYSA-N 0 3 326.441 1.437 50 0 EDAAHN Cc1ccc(F)cc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000069558706 203018989 /nfs/dbraw/zinc/01/89/89/203018989.db2.gz KCAUKVQAMDSRKB-MRXNPFEDSA-N 0 3 333.407 1.688 50 0 EDAAHN CN(C)c1cccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000069567659 203020132 /nfs/dbraw/zinc/02/01/32/203020132.db2.gz JEFHJKJFVSROSQ-UHFFFAOYSA-N 0 3 344.459 1.133 50 0 EDAAHN Cc1ccc(C(=O)NC2CCN(C[C@@H](O)Cn3cccn3)CC2)s1 ZINC000069844153 203055102 /nfs/dbraw/zinc/05/51/02/203055102.db2.gz FOFJFXXJGOOFEZ-OAHLLOKOSA-N 0 3 348.472 1.508 50 0 EDAAHN CC(C)(C)[C@@H](O)CN1CCN(CCC(=O)NC2CCCCC2)CC1 ZINC000069707291 203040999 /nfs/dbraw/zinc/04/09/99/203040999.db2.gz NKYVTLGPXRZBHG-KRWDZBQOSA-N 0 3 339.524 1.850 50 0 EDAAHN Cc1cc(C)c(CN2CCC[C@@H](CNS(N)(=O)=O)C2)c(C)c1 ZINC000069777826 203048273 /nfs/dbraw/zinc/04/82/73/203048273.db2.gz CABQRMHFDJYAED-HNNXBMFYSA-N 0 3 325.478 1.617 50 0 EDAAHN CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000069947140 203064506 /nfs/dbraw/zinc/06/45/06/203064506.db2.gz PKVVKCYBYHHTTQ-INIZCTEOSA-N 0 3 330.432 1.728 50 0 EDAAHN CCc1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000069946322 203065053 /nfs/dbraw/zinc/06/50/53/203065053.db2.gz IBARGLQREBQSCG-UHFFFAOYSA-N 0 3 348.491 1.761 50 0 EDAAHN O[C@H](Cn1cccn1)CN1CCC(c2nnc3ccccn32)CC1 ZINC000071900503 203143574 /nfs/dbraw/zinc/14/35/74/203143574.db2.gz XBZKBAFSNMVSDM-HNNXBMFYSA-N 0 3 326.404 1.166 50 0 EDAAHN C[C@@H](O)CN1CCN(CCC(=O)NCCc2ccccc2)C[C@H]1C ZINC000071879590 203134900 /nfs/dbraw/zinc/13/49/00/203134900.db2.gz GZVIINYHNMHWSU-IAGOWNOFSA-N 0 3 333.476 1.122 50 0 EDAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000071883635 203136510 /nfs/dbraw/zinc/13/65/10/203136510.db2.gz VZPHLSNOXQPVGY-OAHLLOKOSA-N 0 3 335.423 1.876 50 0 EDAAHN CC(C)(N)C(=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000072150501 203172762 /nfs/dbraw/zinc/17/27/62/203172762.db2.gz AZLSJYGNSVFRQQ-QGZVFWFLSA-N 0 3 330.476 1.537 50 0 EDAAHN Cc1cc2cccc(C(=O)N3CCO[C@]4(C3)CNCCOC4)c2o1 ZINC000072156556 203174405 /nfs/dbraw/zinc/17/44/05/203174405.db2.gz LQEXCDSYPOWYHP-SFHVURJKSA-N 0 3 330.384 1.572 50 0 EDAAHN CCCc1nc2c(cnn2C)c(NCCCN2CCC[C@H](O)C2)n1 ZINC000072155000 203175336 /nfs/dbraw/zinc/17/53/36/203175336.db2.gz MBMKSYAEIPPIHR-ZDUSSCGKSA-N 0 3 332.452 1.575 50 0 EDAAHN CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)c1c[nH]c(=O)[n-]c1=O ZINC000072427313 203221220 /nfs/dbraw/zinc/22/12/20/203221220.db2.gz PQEBXOKIMJCROY-UHFFFAOYSA-N 0 3 348.447 1.324 50 0 EDAAHN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 ZINC000075138950 203305975 /nfs/dbraw/zinc/30/59/75/203305975.db2.gz ZMNVQNCLYPYMCM-IUODEOHRSA-N 0 3 347.463 1.545 50 0 EDAAHN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC(c2nc(C3CC3)n[nH]2)CC1 ZINC000075138950 203305978 /nfs/dbraw/zinc/30/59/78/203305978.db2.gz ZMNVQNCLYPYMCM-IUODEOHRSA-N 0 3 347.463 1.545 50 0 EDAAHN CN1CCC(N2CCN(C(=O)c3cn4ccccc4n3)CC2)CC1 ZINC000075524169 203317024 /nfs/dbraw/zinc/31/70/24/203317024.db2.gz GILIYMKBQPTRFB-UHFFFAOYSA-N 0 3 327.432 1.186 50 0 EDAAHN CN1CCN(Cc2ccc(-c3cc[nH]n3)o2)C[C@@]12CCNC(=O)CC2 ZINC000107419663 204236783 /nfs/dbraw/zinc/23/67/83/204236783.db2.gz GPAWRXVXEIGTRC-GOSISDBHSA-N 0 3 343.431 1.456 50 0 EDAAHN COC(=O)[C@@H]1C[C@@H](N(C)C)CN1C(=O)c1ccccc1-c1ncc[nH]1 ZINC000067818160 291520554 /nfs/dbraw/zinc/52/05/54/291520554.db2.gz RXCQOZZZLLHHFZ-DOMZBBRYSA-N 0 3 342.399 1.394 50 0 EDAAHN COCC[C@@H]1CN(c2ncnc3sc4c(c32)CCNC4)CCO1 ZINC000065395794 285151401 /nfs/dbraw/zinc/15/14/01/285151401.db2.gz YUBCMWFXMIZYGX-LLVKDONJSA-N 0 3 334.445 1.579 50 0 EDAAHN O=C(C[C@H]1CNCCO1)NCc1noc(-c2c(F)cccc2F)n1 ZINC000299775498 258086203 /nfs/dbraw/zinc/08/62/03/258086203.db2.gz FZDDPOCMAWBCFF-VIFPVBQESA-N 0 3 338.314 1.010 50 0 EDAAHN CCOC(=O)CNC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](N(C)C)C1 ZINC000091390886 276279240 /nfs/dbraw/zinc/27/92/40/276279240.db2.gz DELLLOVYHUXEMI-JKSUJKDBSA-N 0 3 349.431 1.297 50 0 EDAAHN Cc1cnc(N2CCC([C@@H](C)N3CCOCC3)CC2)nc1N(C)C ZINC000095380013 281599132 /nfs/dbraw/zinc/59/91/32/281599132.db2.gz UWPVYGCTQHHTDB-OAHLLOKOSA-N 0 3 333.480 1.788 50 0 EDAAHN CC(C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)S(C)(=O)=O ZINC000044936722 440915055 /nfs/dbraw/zinc/91/50/55/440915055.db2.gz FAFOANPSZJCJAV-ZDUSSCGKSA-N 0 3 335.429 1.323 50 0 EDAAHN NC(=O)C1CCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000002626142 440868031 /nfs/dbraw/zinc/86/80/31/440868031.db2.gz WHWNKFJZOVQBCX-MRXNPFEDSA-N 0 3 328.412 1.777 50 0 EDAAHN COc1cc(C)c([C@@H](C)NC(=O)C(C)S(C)(=O)=O)cc1OC ZINC000044966162 440926510 /nfs/dbraw/zinc/92/65/10/440926510.db2.gz IKWLBMSSDZHAKB-GHMZBOCLSA-N 0 3 329.418 1.623 50 0 EDAAHN O=C(NCCN1CCOCC1)C1CCN(Cc2cccs2)CC1 ZINC000004725469 440926980 /nfs/dbraw/zinc/92/69/80/440926980.db2.gz YZWSDTKQNVLMSL-UHFFFAOYSA-N 0 3 337.489 1.409 50 0 EDAAHN CCN1CCC[C@@H]1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000008755733 441100406 /nfs/dbraw/zinc/10/04/06/441100406.db2.gz DNJUHANCPAMJQM-CYBMUJFWSA-N 0 3 328.416 1.456 50 0 EDAAHN CN(C(=O)CC[C@@H]1CCCN(Cc2ncc[nH]2)C1)C1CCN(C)CC1 ZINC000012298873 441130486 /nfs/dbraw/zinc/13/04/86/441130486.db2.gz NEZFPDVAEBRAIP-INIZCTEOSA-N 0 3 347.507 1.955 50 0 EDAAHN C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)N(C)C1CC1 ZINC000057701400 441127889 /nfs/dbraw/zinc/12/78/89/441127889.db2.gz DEZHDSOUDFNMMT-XJKSGUPXSA-N 0 3 349.500 1.881 50 0 EDAAHN CN1CCC[C@@H]1CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000058009058 441148237 /nfs/dbraw/zinc/14/82/37/441148237.db2.gz ZOORYSIAOFNCTP-OAHLLOKOSA-N 0 3 341.419 1.891 50 0 EDAAHN C[C@@H](CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCCC1 ZINC000058278108 441169281 /nfs/dbraw/zinc/16/92/81/441169281.db2.gz QHAFWWMAXBFKRJ-ZDUSSCGKSA-N 0 3 344.390 1.586 50 0 EDAAHN Cc1ccc([C@H](CNC(=O)CCSc2nnnn2C)N(C)C)cc1 ZINC000058290306 441172723 /nfs/dbraw/zinc/17/27/23/441172723.db2.gz MLUPBZAQRTTWNN-AWEZNQCLSA-N 0 3 348.476 1.420 50 0 EDAAHN O=C(NCCN1CCOCC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000058332564 441180597 /nfs/dbraw/zinc/18/05/97/441180597.db2.gz GVFBNIXOUFEIGB-KRWDZBQOSA-N 0 3 349.450 1.486 50 0 EDAAHN COCCN1CC[C@@H](CNC(=O)C[C@@H](C)NC(=O)c2ccccc2)C1 ZINC000058432068 441194692 /nfs/dbraw/zinc/19/46/92/441194692.db2.gz MNCULEFYIOJQCG-CVEARBPZSA-N 0 3 347.459 1.280 50 0 EDAAHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)c1ccc2c(c1)OCO2 ZINC000072268574 441211511 /nfs/dbraw/zinc/21/15/11/441211511.db2.gz UQGTTXCERDQHPC-BBWFWOEESA-N 0 3 346.427 1.924 50 0 EDAAHN CC[C@@H]1CN(Cc2nccn2CC(F)(F)F)CCN1C[C@@H](C)O ZINC000072279813 441218407 /nfs/dbraw/zinc/21/84/07/441218407.db2.gz QINKEOVBLWPGSR-CHWSQXEVSA-N 0 3 334.386 1.722 50 0 EDAAHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cccnc2N2CCOCC2)C1 ZINC000048221339 441272716 /nfs/dbraw/zinc/27/27/16/441272716.db2.gz PEGKRNBJBHAZGG-HZPDHXFCSA-N 0 3 346.475 1.626 50 0 EDAAHN O=C(NCCCn1cncn1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000048278409 441283732 /nfs/dbraw/zinc/28/37/32/441283732.db2.gz UIKFRVRGMKRPHW-AWEZNQCLSA-N 0 3 348.476 1.866 50 0 EDAAHN CCCCS(=O)(=O)NCc1cc2n(n1)CCCN(CCC)C2 ZINC000082091723 441330550 /nfs/dbraw/zinc/33/05/50/441330550.db2.gz KOADMGMFJLESFH-UHFFFAOYSA-N 0 3 328.482 1.718 50 0 EDAAHN O=C(NCc1cccc2cccnc21)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000107496799 441417721 /nfs/dbraw/zinc/41/77/21/441417721.db2.gz CECAUGFBYKFJHC-DLBZAZTESA-N 0 3 340.427 1.897 50 0 EDAAHN CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000084789164 441422624 /nfs/dbraw/zinc/42/26/24/441422624.db2.gz JVDOHKXQIBTCCD-DZGCQCFKSA-N 0 3 343.435 1.507 50 0 EDAAHN Cn1ccnc1CN1CCC(C(=O)NCCN2CCCCCC2)CC1 ZINC000065419092 441430179 /nfs/dbraw/zinc/43/01/79/441430179.db2.gz VNBHEAVNFPPQBD-UHFFFAOYSA-N 0 3 347.507 1.624 50 0 EDAAHN CCOc1cc2c(cc1CNC(=O)C(C)S(C)(=O)=O)O[C@H](C)C2 ZINC000065447630 441435900 /nfs/dbraw/zinc/43/59/00/441435900.db2.gz CKZLIUPTONULSU-GHMZBOCLSA-N 0 3 341.429 1.458 50 0 EDAAHN Cc1ccc(C[C@@H]2CCCN(Cc3cc(=O)n(C)c(=O)n3C)C2)cc1 ZINC000065605865 441468284 /nfs/dbraw/zinc/46/82/84/441468284.db2.gz FZIAGIYNSXPBBQ-KRWDZBQOSA-N 0 3 341.455 1.847 50 0 EDAAHN CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000052922340 441487195 /nfs/dbraw/zinc/48/71/95/441487195.db2.gz SVXLVYNPAZQXPX-QZTJIDSGSA-N 0 3 329.444 1.636 50 0 EDAAHN Cc1ccc(C(=O)NCc2cccc(OCCN(C)C)c2)c(=O)[nH]1 ZINC000075121103 441497146 /nfs/dbraw/zinc/49/71/46/441497146.db2.gz GPOBXRITVCNCLL-UHFFFAOYSA-N 0 3 329.400 1.554 50 0 EDAAHN CC(C)CN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C(C)C ZINC000031582347 441530487 /nfs/dbraw/zinc/53/04/87/441530487.db2.gz SBWUQHNNLNRZBN-UHFFFAOYSA-N 0 3 338.452 1.639 50 0 EDAAHN COc1cc(CN[C@@H](C)[C@@H]2CCCO2)cc(Cl)c1OCC(N)=O ZINC000030908464 441507210 /nfs/dbraw/zinc/50/72/10/441507210.db2.gz HSGMVLUDZOHUHK-GWCFXTLKSA-N 0 3 342.823 1.870 50 0 EDAAHN COc1ccc(OCCNC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000066175947 441508800 /nfs/dbraw/zinc/50/88/00/441508800.db2.gz GLXQIOMZNBRNLF-OAHLLOKOSA-N 0 3 333.432 1.954 50 0 EDAAHN c1nn(-c2ccccc2)nc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000089857646 441586673 /nfs/dbraw/zinc/58/66/73/441586673.db2.gz LALOMILZDBTAPA-IBGZPJMESA-N 0 3 341.459 1.954 50 0 EDAAHN O=C(Cc1cccs1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000089861143 441587967 /nfs/dbraw/zinc/58/79/67/441587967.db2.gz KGUVVBOBTCWIIK-MRXNPFEDSA-N 0 3 330.453 1.826 50 0 EDAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000040489004 441623931 /nfs/dbraw/zinc/62/39/31/441623931.db2.gz YWRVZBXSIKZXFT-CQSZACIVSA-N 0 3 329.400 1.704 50 0 EDAAHN COc1cccc(CS(=O)(=O)C(C)C(=O)NC[C@@H]2CCCO2)c1 ZINC000040528802 441626860 /nfs/dbraw/zinc/62/68/60/441626860.db2.gz FDUVFAIDGNXUAM-WFASDCNBSA-N 0 3 341.429 1.294 50 0 EDAAHN COCCN(C)CCNC(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000067421263 441639552 /nfs/dbraw/zinc/63/95/52/441639552.db2.gz SHCWBAFBCPOEPG-MRXNPFEDSA-N 0 3 339.411 1.487 50 0 EDAAHN O=C(c1cc2n(n1)CCN(Cc1ccccc1)C2)N1CCCNCC1 ZINC000067561572 441653169 /nfs/dbraw/zinc/65/31/69/441653169.db2.gz DZNDLEBEJYNJKF-UHFFFAOYSA-N 0 3 339.443 1.334 50 0 EDAAHN COc1cc(C)c(CN2CCC[C@H](CNC(=O)C(N)=O)C2)cc1C ZINC000067604388 441656747 /nfs/dbraw/zinc/65/67/47/441656747.db2.gz PKFJZBYIDWEVHB-CQSZACIVSA-N 0 3 333.432 1.126 50 0 EDAAHN O=C(CN1CCCCC1)NC[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000067867580 441689937 /nfs/dbraw/zinc/68/99/37/441689937.db2.gz REHGEHKSZDZQRX-SFHVURJKSA-N 0 3 330.476 1.896 50 0 EDAAHN CC(=O)N1CCC(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)CC1 ZINC000067869355 441690727 /nfs/dbraw/zinc/69/07/27/441690727.db2.gz JYYQRHVHEQFSBS-DLBZAZTESA-N 0 3 346.427 1.576 50 0 EDAAHN COc1cc2c(cc1CN1CCC[C@@H](CNC(=O)CO)C1)CCC2 ZINC000067871551 441691316 /nfs/dbraw/zinc/69/13/16/441691316.db2.gz HVOGBDPCJNPNAT-AWEZNQCLSA-N 0 3 332.444 1.504 50 0 EDAAHN CCN(CC)Cc1cnc2c(C(=O)NCc3noc(C)n3)cnn2c1 ZINC000067880148 441692268 /nfs/dbraw/zinc/69/22/68/441692268.db2.gz NAJNAVHWCUBGLM-UHFFFAOYSA-N 0 3 343.391 1.193 50 0 EDAAHN CSCC[C@@H](CO)Nc1nc(-c2ccncc2)nc2c1CCNC2 ZINC000067894740 441694468 /nfs/dbraw/zinc/69/44/68/441694468.db2.gz QLIIJZKUVSTOSR-ZDUSSCGKSA-N 0 3 345.472 1.710 50 0 EDAAHN Cc1c(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cnn1-c1ccccn1 ZINC000067973912 441703180 /nfs/dbraw/zinc/70/31/80/441703180.db2.gz LMKCZUJMGMRCOG-LSDHHAIUSA-N 0 3 325.416 1.884 50 0 EDAAHN CNCC(=O)N[C@H]1CN(c2nc(C)c3c(n2)CCCC3)C[C@@H]1C1CC1 ZINC000091550442 441710772 /nfs/dbraw/zinc/71/07/72/441710772.db2.gz NUPBGVOFPAXXIC-WBVHZDCISA-N 0 3 343.475 1.214 50 0 EDAAHN CC(C)c1nccc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)n1 ZINC000067714477 441671356 /nfs/dbraw/zinc/67/13/56/441671356.db2.gz ZAXAYKFEMQAYBO-UHFFFAOYSA-N 0 3 345.491 1.842 50 0 EDAAHN CNCC(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000092021987 441763795 /nfs/dbraw/zinc/76/37/95/441763795.db2.gz VETGMFVVIWJAFP-UHFFFAOYSA-N 0 3 329.444 1.637 50 0 EDAAHN Nc1ncc(CN2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)cn1 ZINC000092037798 441764208 /nfs/dbraw/zinc/76/42/08/441764208.db2.gz GZURDMVWJAPASV-GOSISDBHSA-N 0 3 345.447 1.052 50 0 EDAAHN O=C(CN1CCCC1=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000092078938 441770886 /nfs/dbraw/zinc/77/08/86/441770886.db2.gz ADLHPNINAYHIBQ-ZWKOTPCHSA-N 0 3 341.455 1.732 50 0 EDAAHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1coc(CN3CCOCC3)c1)C2 ZINC000095382520 441916352 /nfs/dbraw/zinc/91/63/52/441916352.db2.gz UEWPWMYXWMJPFS-JKSUJKDBSA-N 0 3 333.432 1.421 50 0 EDAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)CN(C)c1ccccc1)C2 ZINC000095384029 441916640 /nfs/dbraw/zinc/91/66/40/441916640.db2.gz IXRHBJOEWJSHIU-SJLPKXTDSA-N 0 3 331.460 1.692 50 0 EDAAHN O=C(CN1CCN(c2ccnc3ccccc32)CC1)N1CCOCC1 ZINC000095394643 441918476 /nfs/dbraw/zinc/91/84/76/441918476.db2.gz BAJLUWNSZNQCBA-UHFFFAOYSA-N 0 3 340.427 1.216 50 0 EDAAHN O=S(=O)(NC1CCN(C[C@@H]2CCCOC2)CC1)c1cccs1 ZINC000095426302 441925192 /nfs/dbraw/zinc/92/51/92/441925192.db2.gz KESIITGGPDPTPR-ZDUSSCGKSA-N 0 3 344.502 1.917 50 0 EDAAHN CC(C)[C@H](O)C1(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000095988234 441972677 /nfs/dbraw/zinc/97/26/77/441972677.db2.gz JNVFBVQKGYTOAH-WFASDCNBSA-N 0 3 326.462 1.782 50 0 EDAAHN CC(C)N(C)CC(=O)N[C@H]1CCc2nnc(Cc3ccccc3)n2C1 ZINC000095998216 441975745 /nfs/dbraw/zinc/97/57/45/441975745.db2.gz VDWRHYHEJSPAGL-INIZCTEOSA-N 0 3 341.459 1.640 50 0 EDAAHN C[C@@]1(CNC(=O)N2CCNC(=O)CC2)CCCN1Cc1ccccc1 ZINC000119635597 441944494 /nfs/dbraw/zinc/94/44/94/441944494.db2.gz UQURRYLTPXIYTB-IBGZPJMESA-N 0 3 344.459 1.573 50 0 EDAAHN O=C(Nc1ncccn1)C1CCN(CCCN2CCCC2=O)CC1 ZINC000095954914 441959709 /nfs/dbraw/zinc/95/97/09/441959709.db2.gz KIQHLCSTJURCOR-UHFFFAOYSA-N 0 3 331.420 1.140 50 0 EDAAHN CN(C)C(=O)c1cccc(CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000069630817 441997207 /nfs/dbraw/zinc/99/72/07/441997207.db2.gz IHSDEWHXCMRWMK-MRXNPFEDSA-N 0 3 327.432 1.892 50 0 EDAAHN Cc1ccc(/C=C\C(=O)NCCC(=O)N(C)C2CCN(C)CC2)o1 ZINC000096035550 441982230 /nfs/dbraw/zinc/98/22/30/441982230.db2.gz BWSKUYLUBLYWMH-SREVYHEPSA-N 0 3 333.432 1.660 50 0 EDAAHN CN(C)CCNC(=O)Cn1ccc(NC(=O)/C=C\c2cccs2)n1 ZINC000096035126 441982914 /nfs/dbraw/zinc/98/29/14/441982914.db2.gz YQSLSDFGXSEIRR-WAYWQWQTSA-N 0 3 347.444 1.274 50 0 EDAAHN CC(=O)N1CCCN([C@H]2CN(CCOc3ccccc3)C[C@H]2C)CC1 ZINC000078896288 441989423 /nfs/dbraw/zinc/98/94/23/441989423.db2.gz SRCJJTNMOXJMQP-XLIONFOSSA-N 0 3 345.487 1.940 50 0 EDAAHN O=C(Cc1ccc(F)cc1)NCCNc1cc(N2CCCC2)cnn1 ZINC000096120938 442038960 /nfs/dbraw/zinc/03/89/60/442038960.db2.gz FATCMXBBHXFBNW-UHFFFAOYSA-N 0 3 343.406 1.987 50 0 EDAAHN C[C@H](NCCN1CCN(C(=O)C2CCCC2)CC1)c1cnn(C)c1 ZINC000096477538 442139673 /nfs/dbraw/zinc/13/96/73/442139673.db2.gz NUVVOWRIANXQKI-HNNXBMFYSA-N 0 3 333.480 1.405 50 0 EDAAHN Cc1cccc(N2CCN(C(=O)CN(C)[C@@H]3CCSC3)[C@@H](C)C2)n1 ZINC000096486751 442141308 /nfs/dbraw/zinc/14/13/08/442141308.db2.gz MNNFYVCZKVCRCE-JKSUJKDBSA-N 0 3 348.516 1.864 50 0 EDAAHN O=C(N[C@@H]1CCC[C@@H]1CO)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000096487142 442141707 /nfs/dbraw/zinc/14/17/07/442141707.db2.gz OHLBVYUJKNKJSN-RTBURBONSA-N 0 3 346.471 1.782 50 0 EDAAHN CC(C)(CN[C@@H]1CCN(c2ccc(F)cc2F)C1)S(C)(=O)=O ZINC000096494358 442143343 /nfs/dbraw/zinc/14/33/43/442143343.db2.gz SLBRLLNJOGMGOT-GFCCVEGCSA-N 0 3 332.416 1.956 50 0 EDAAHN CN(C)[C@H](CNc1ncnc2c1cnn2CCO)c1ccc(F)cc1 ZINC000097200285 442183290 /nfs/dbraw/zinc/18/32/90/442183290.db2.gz ZVIUHSFRNKAKQZ-OAHLLOKOSA-N 0 3 344.394 1.673 50 0 EDAAHN C[C@@H](CC(N)=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000170070320 442228926 /nfs/dbraw/zinc/22/89/26/442228926.db2.gz NUCJZBBUIBYRKM-UFBFGSQYSA-N 0 3 330.215 1.952 50 0 EDAAHN CC(C)N1CCN(CCCSc2ncnc3c2cnn3C)CC1 ZINC000188287554 442733640 /nfs/dbraw/zinc/73/36/40/442733640.db2.gz HEQRRBYPIKQIAZ-UHFFFAOYSA-N 0 3 334.493 1.872 50 0 EDAAHN Cc1ccn(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c(=O)c1 ZINC000248751293 442924443 /nfs/dbraw/zinc/92/44/43/442924443.db2.gz UMJGKUDDXCPDJI-SJLPKXTDSA-N 0 3 339.439 1.793 50 0 EDAAHN O=C1[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1C[C@@H](O)C(F)(F)F ZINC000195564194 443032976 /nfs/dbraw/zinc/03/29/76/443032976.db2.gz YCABOBLYACBKHH-JHJVBQTASA-N 0 3 342.317 1.027 50 0 EDAAHN C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CCN1C1CCN(C)CC1 ZINC000252553200 443043692 /nfs/dbraw/zinc/04/36/92/443043692.db2.gz VHPJEDAHFQKAMN-CYBMUJFWSA-N 0 3 332.448 1.793 50 0 EDAAHN COc1cc(S(=O)(=O)N2CCCNCC2)ccc1Br ZINC000237227807 443165506 /nfs/dbraw/zinc/16/55/06/443165506.db2.gz RKHHBFZQDSBMKR-UHFFFAOYSA-N 0 3 349.250 1.442 50 0 EDAAHN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@H](C)C(=O)N1CCCC1 ZINC000257365474 443157715 /nfs/dbraw/zinc/15/77/15/443157715.db2.gz AZLYWODPXDOEEK-UKPHBRMFSA-N 0 3 334.464 1.715 50 0 EDAAHN C[C@@H](NC(=O)N1CCC[C@H](Cn2ccnn2)C1)C1=CCN(C)CC1 ZINC000272909142 443486352 /nfs/dbraw/zinc/48/63/52/443486352.db2.gz JJUGTLXBDQOWGH-CABCVRRESA-N 0 3 332.452 1.350 50 0 EDAAHN Cn1ccc(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000390834471 447501967 /nfs/dbraw/zinc/50/19/67/447501967.db2.gz ZJVOIZOXWUMAMM-SFHVURJKSA-N 0 3 341.459 1.926 50 0 EDAAHN CCC(CC)n1ncc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1C ZINC000408517562 447671351 /nfs/dbraw/zinc/67/13/51/447671351.db2.gz KOEBHFJLXZPZLU-HZPDHXFCSA-N 0 3 334.464 1.834 50 0 EDAAHN O=C(NCCCC[NH+]1CCCC1)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000534642160 448459673 /nfs/dbraw/zinc/45/96/73/448459673.db2.gz BRAXQNCSLLUXFD-OAHLLOKOSA-N 0 3 347.463 1.947 50 0 EDAAHN CCCN1CC[C@@H](NC(=O)c2ccccc2N2CCC(=O)NC2=O)C1 ZINC000584899331 448670668 /nfs/dbraw/zinc/67/06/68/448670668.db2.gz LLMUSLSJAUAJFB-CYBMUJFWSA-N 0 3 344.415 1.347 50 0 EDAAHN COC(=O)N1CCCC[C@H]1C(=O)N1CCCN(CC(C)C)CC1 ZINC000584902733 448671723 /nfs/dbraw/zinc/67/17/23/448671723.db2.gz ZUUWRFYQYZZMLO-HNNXBMFYSA-N 0 3 325.453 1.798 50 0 EDAAHN COc1cc(NC(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)ncn1 ZINC000585120191 448699790 /nfs/dbraw/zinc/69/97/90/448699790.db2.gz ZUTPCSNTQFPHBF-ZDUSSCGKSA-N 0 3 349.435 1.592 50 0 EDAAHN COc1ccc(C[C@H](C)NCCS(=O)(=O)NC(C)C)cc1OC ZINC000670419534 486483661 /nfs/dbraw/zinc/48/36/61/486483661.db2.gz NWEWRSILPXZAIA-ZDUSSCGKSA-N 0 3 344.477 1.552 50 0 EDAAHN CN(C)C[C@H]1CN(C(=O)COc2cccc3c2OC(C)(C)C3)CCO1 ZINC000116794619 590721823 /nfs/dbraw/zinc/72/18/23/590721823.db2.gz LXAMPEFUNVTFPN-HNNXBMFYSA-N 0 3 348.443 1.568 50 0 EDAAHN 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