smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC(=O)Nc1ccc(NC(=O)c2snnc2C)cc1C ZINC000952965066 721528730 /nfs/dbraw/zinc/52/87/30/721528730.db2.gz RRRIEZHSVZIBJM-UHFFFAOYSA-N 0 0 320.374 1.992 50 0 DDAARN COc1cc(-n2cnnn2)ccc1NC(=O)c1oc(C)nc1C ZINC000952964909 721528793 /nfs/dbraw/zinc/52/87/93/721528793.db2.gz RACHHYUBRVYHKX-UHFFFAOYSA-N 0 0 314.305 1.528 50 0 DDAARN CN(C)[C@H](CNC(=O)CCN1CCCCCC1=O)c1ccco1 ZINC000952972787 721530280 /nfs/dbraw/zinc/53/02/80/721530280.db2.gz WSAUPDXMTNJJNK-CQSZACIVSA-N 0 0 321.421 1.791 50 0 DDAARN COCC(=O)Nc1ccc(C)c(NC(=O)c2nc[nH]c2C)c1 ZINC000952976318 721530454 /nfs/dbraw/zinc/53/04/54/721530454.db2.gz ZGFZXWUNFUCRSR-UHFFFAOYSA-N 0 0 302.334 1.864 50 0 DDAARN CC1=C(C(=O)N2CCCN(C(=O)c3ccco3)CC2)OCCO1 ZINC000952980289 721531210 /nfs/dbraw/zinc/53/12/10/721531210.db2.gz JGGQWJINRDMTLR-UHFFFAOYSA-N 0 0 320.345 1.232 50 0 DDAARN Nc1nc2c(c(C(=O)NCc3ccc4nonc4c3)n1)CCCC2 ZINC000952981319 721531524 /nfs/dbraw/zinc/53/15/24/721531524.db2.gz SMTUQJXSJHQMTG-UHFFFAOYSA-N 0 0 324.344 1.404 50 0 DDAARN Cc1cc(N)n(CC(=O)N2CCCC[C@@H]2c2nc(C)no2)n1 ZINC000952983545 721531920 /nfs/dbraw/zinc/53/19/20/721531920.db2.gz URAALAWPYQPMNB-LLVKDONJSA-N 0 0 304.354 1.219 50 0 DDAARN CN(Cc1ccon1)C1CCN(C(=O)c2ccncc2)CC1 ZINC000952986580 721532917 /nfs/dbraw/zinc/53/29/17/721532917.db2.gz ZIPGAMXXFRNWTL-UHFFFAOYSA-N 0 0 300.362 1.806 50 0 DDAARN Cc1nsc(N[C@H]2CCCN(c3nc(C)cc(=O)[nH]3)C2)n1 ZINC000952993585 721534206 /nfs/dbraw/zinc/53/42/06/721534206.db2.gz ZLYMIXIBAINWSE-JTQLQIEISA-N 0 0 306.395 1.731 50 0 DDAARN CCc1n[nH]cc1C(=O)NCCc1nc2c(s1)COCC2 ZINC000952995016 721534665 /nfs/dbraw/zinc/53/46/65/721534665.db2.gz AHDKRMHHRCFWAN-UHFFFAOYSA-N 0 0 306.391 1.474 50 0 DDAARN Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2ccncc2)cnc1N ZINC000952995650 721535031 /nfs/dbraw/zinc/53/50/31/721535031.db2.gz SWXDLBZHGJUYRC-NSHDSACASA-N 0 0 306.391 1.749 50 0 DDAARN Cc1nc(CO[C@H]2CCCN(S(=O)(=O)C(C)C)C2)no1 ZINC000675017362 737517847 /nfs/dbraw/zinc/51/78/47/737517847.db2.gz USQUKRKQJJLYSN-NSHDSACASA-N 0 0 303.384 1.097 50 0 DDAARN Cc1ncoc1C(=O)NCCN(C(=O)C1CC1)C1CCOCC1 ZINC000675019239 737520337 /nfs/dbraw/zinc/52/03/37/737520337.db2.gz JXYKMRNNNXAMPK-UHFFFAOYSA-N 0 0 321.377 1.130 50 0 DDAARN CC(=O)N(CCNC(=O)c1sccc1C)C1CCOCC1 ZINC000675023240 737522393 /nfs/dbraw/zinc/52/23/93/737522393.db2.gz ZMYHYLLMNDBNND-UHFFFAOYSA-N 0 0 310.419 1.814 50 0 DDAARN CC(=O)N1CC[C@@H](c2nc(C)no2)N(C(=O)C2CCCC2)CC1 ZINC000675025962 737527605 /nfs/dbraw/zinc/52/76/05/737527605.db2.gz OBALDJBHCJRKHI-AWEZNQCLSA-N 0 0 320.393 1.690 50 0 DDAARN CC(C)NC(=O)c1ccc(NC(=O)[C@@H](C)N2CCCC2=O)cc1 ZINC000821810315 758174842 /nfs/dbraw/zinc/17/48/42/758174842.db2.gz ZHUANQBANOGPMM-GFCCVEGCSA-N 0 0 317.389 1.774 50 0 DDAARN COCC(=O)Nc1cc(NC(=O)c2ccncc2)ccc1OC ZINC000824313196 759172228 /nfs/dbraw/zinc/17/22/28/759172228.db2.gz BWWBXDWWWPYOSB-UHFFFAOYSA-N 0 0 315.329 1.927 50 0 DDAARN COCCN1C[C@H](C(=O)N2CCC3(CCCC3)C2)CCC1=O ZINC000824412431 759178407 /nfs/dbraw/zinc/17/84/07/759178407.db2.gz QSHKDFYEOWUEQQ-CQSZACIVSA-N 0 0 308.422 1.664 50 0 DDAARN COc1cc(CNC(=O)[C@@H](C)Cn2cccn2)cc(OC)c1 ZINC000824551606 759186496 /nfs/dbraw/zinc/18/64/96/759186496.db2.gz REVBVSOHHOWNPJ-LBPRGKRZSA-N 0 0 303.362 1.853 50 0 DDAARN Cc1cc(C)n(CCCN(C)S(=O)(=O)N2CCCC2)n1 ZINC000825285782 759237819 /nfs/dbraw/zinc/23/78/19/759237819.db2.gz LBONJUKIOLQUID-UHFFFAOYSA-N 0 0 300.428 1.162 50 0 DDAARN O=C1C[C@H](NS(=O)(=O)N2CCCCC2)c2ccccc2N1 ZINC000828244722 759555884 /nfs/dbraw/zinc/55/58/84/759555884.db2.gz FTQCIPGQSFPZDZ-ZDUSSCGKSA-N 0 0 309.391 1.390 50 0 DDAARN O=C(NCC1CCN(Cc2cscn2)CC1)c1ccon1 ZINC000828228697 759564307 /nfs/dbraw/zinc/56/43/07/759564307.db2.gz AMZDNIPTNARZFI-UHFFFAOYSA-N 0 0 306.391 1.773 50 0 DDAARN CC(=O)N1CCC([C@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)CC1 ZINC000581800327 761707510 /nfs/dbraw/zinc/70/75/10/761707510.db2.gz BPYJLWIUBDQJIN-HNNXBMFYSA-N 0 0 318.421 1.449 50 0 DDAARN CCn1ccc(C(=O)N2CC[C@H](c3noc(COC)n3)C2)n1 ZINC000581796033 761714180 /nfs/dbraw/zinc/71/41/80/761714180.db2.gz YWPBIEUTNCVOSM-JTQLQIEISA-N 0 0 305.338 1.062 50 0 DDAARN CCc1noc([C@]2(O)CCN(C(=O)N(C)CC(C)(C)C)C2)n1 ZINC000585079937 771926953 /nfs/dbraw/zinc/92/69/53/771926953.db2.gz JJBQQMGQQMEFDQ-HNNXBMFYSA-N 0 0 310.398 1.623 50 0 DDAARN C[C@H]1CC(NC(=O)c2coc(CS(C)(=O)=O)n2)C[C@H](C)C1 ZINC000585120803 771954545 /nfs/dbraw/zinc/95/45/45/771954545.db2.gz LZQGZMRIMCQHIX-NXEZZACHSA-N 0 0 314.407 1.774 50 0 DDAARN COC(=O)N(C)CCCC(=O)Nc1cnnn1-c1ccccc1 ZINC000585124966 771956561 /nfs/dbraw/zinc/95/65/61/771956561.db2.gz BLMFWCFLADVCOY-UHFFFAOYSA-N 0 0 317.349 1.684 50 0 DDAARN C[C@H](CC(=O)N[C@H](CO)c1cncn1C)Cc1cccc(F)c1 ZINC000585127964 771960231 /nfs/dbraw/zinc/96/02/31/771960231.db2.gz NTUMZVUELQULTL-SWLSCSKDSA-N 0 0 319.380 1.978 50 0 DDAARN C[C@H](CC(=O)N1CCN(C)C[C@@H]1CO)Cc1cccc(F)c1 ZINC000585128189 771960308 /nfs/dbraw/zinc/96/03/08/771960308.db2.gz VCXCSQUZAFUMJM-XJKSGUPXSA-N 0 0 308.397 1.529 50 0 DDAARN COC(=O)C[C@H](NC(C)=O)C(=O)N1C[C@]2(C)CC[C@@H](C2)C1(C)C ZINC000585128830 771960853 /nfs/dbraw/zinc/96/08/53/771960853.db2.gz OKMWVMULEQWLGV-GDZNZVCISA-N 0 0 324.421 1.481 50 0 DDAARN CC(C)n1cnc(S(=O)(=O)N2CCO[C@H]2C(F)(F)F)c1 ZINC000585129864 771962579 /nfs/dbraw/zinc/96/25/79/771962579.db2.gz ZZGAWHPXUBQZAT-VIFPVBQESA-N 0 0 313.301 1.373 50 0 DDAARN CC1(C)C[C@@H](O)CCN(c2nnnn2Cc2ccccc2)C1 ZINC000585133138 771965305 /nfs/dbraw/zinc/96/53/05/771965305.db2.gz WMIFARLABFVJPU-AWEZNQCLSA-N 0 0 301.394 1.709 50 0 DDAARN CCOc1ccc(C(=O)N[C@@H](CO)Cc2cncs2)cc1 ZINC000585135508 771965308 /nfs/dbraw/zinc/96/53/08/771965308.db2.gz NTYXDDRRQRHEHR-GFCCVEGCSA-N 0 0 306.387 1.875 50 0 DDAARN Cc1ncn(CC2CCN(C(=O)[C@H]3CCCO3)CC2)c(=O)c1C ZINC000585631547 773685671 /nfs/dbraw/zinc/68/56/71/773685671.db2.gz NDRVKNOZFGMSQZ-OAHLLOKOSA-N 0 0 319.405 1.278 50 0 DDAARN Cc1nc(NCCC[N@@H+]2CCC[C@@H](O)C2)c(Cl)c(=O)[n-]1 ZINC000952860530 775589540 /nfs/dbraw/zinc/58/95/40/775589540.db2.gz PUNQROVLNGXGIM-SNVBAGLBSA-N 0 0 300.790 1.403 50 0 DDAARN Cc1nc(N2CCC(CNC(=O)[C@H]3CCOC3)CC2)ccc1F ZINC000952872084 775615424 /nfs/dbraw/zinc/61/54/24/775615424.db2.gz JDSZTKXMABWTRB-AWEZNQCLSA-N 0 0 321.396 1.898 50 0 DDAARN C=CS(=O)(=O)CCC(=O)Nc1cnn(-c2ccccc2)n1 ZINC000952878558 775628523 /nfs/dbraw/zinc/62/85/23/775628523.db2.gz ARKCCJOUXYTONP-UHFFFAOYSA-N 0 0 306.347 1.154 50 0 DDAARN CCCC[C@H](CC)C(=O)N[C@H](C)c1nnc2c(=O)[nH]ccn21 ZINC000952882024 775638242 /nfs/dbraw/zinc/63/82/42/775638242.db2.gz OVNXHIOTBDEKNI-MNOVXSKESA-N 0 0 305.382 1.811 50 0 DDAARN Cn1[nH]c([C@@H]2CCCN2C[C@@H]2COC3(CCCCC3)O2)nc1=N ZINC000952882913 775640018 /nfs/dbraw/zinc/64/00/18/775640018.db2.gz LELPJSWBPBVENL-OLZOCXBDSA-N 0 0 321.425 1.440 50 0 DDAARN Cc1cc(CNC(=O)c2nnn(Cc3ccccc3)c2C)n(C)n1 ZINC000409417581 878180223 /nfs/dbraw/zinc/18/02/23/878180223.db2.gz JFHCJHQIPBTNJK-UHFFFAOYSA-N 0 0 324.388 1.607 50 0 DDAARN CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(C)c3)n[nH]2)c1C ZINC000095480150 185373623 /nfs/dbraw/zinc/37/36/23/185373623.db2.gz VNAOOJVOYRYESZ-UHFFFAOYSA-N 0 0 313.365 1.896 50 0 DDAARN O=C(NCCc1c[nH]cn1)c1cccc(Nc2ncccn2)c1 ZINC000095480649 185373701 /nfs/dbraw/zinc/37/37/01/185373701.db2.gz XDGYWVQPZSWZIE-UHFFFAOYSA-N 0 0 308.345 1.916 50 0 DDAARN O=C(c1cnccn1)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095516780 185376606 /nfs/dbraw/zinc/37/66/06/185376606.db2.gz YFDKDBVZFWIMEW-CXAGYDPISA-N 0 0 311.341 1.087 50 0 DDAARN Fc1cnc(N2CCC[C@@]3(CCOC3)C2)nc1N1CCOCC1 ZINC000095516547 185376631 /nfs/dbraw/zinc/37/66/31/185376631.db2.gz VVJXVKOWUOROQN-MRXNPFEDSA-N 0 0 322.384 1.459 50 0 DDAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)N1CCCC1 ZINC000053521750 295660357 /nfs/dbraw/zinc/66/03/57/295660357.db2.gz JNPVPJBVVHDSBE-ZDUSSCGKSA-N 0 0 309.435 1.927 50 0 DDAARN COCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000095527741 185378291 /nfs/dbraw/zinc/37/82/91/185378291.db2.gz SVQCKMIFWVBXSN-OAHLLOKOSA-N 0 0 314.389 1.944 50 0 DDAARN CNC(=O)c1ccc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000078892427 185124049 /nfs/dbraw/zinc/12/40/49/185124049.db2.gz GVJBQHWEYGAOJP-AWEZNQCLSA-N 0 0 315.377 1.046 50 0 DDAARN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCSCC2)C1 ZINC000078926187 185129637 /nfs/dbraw/zinc/12/96/37/185129637.db2.gz CAMIBFQLWXUYHM-LLVKDONJSA-N 0 0 315.439 1.754 50 0 DDAARN Cc1ccc(C(=O)NCCNC(=O)N2CCO[C@@H](C)C2)cc1 ZINC000078925787 185129856 /nfs/dbraw/zinc/12/98/56/185129856.db2.gz IAMOGTSSAOSNOY-ZDUSSCGKSA-N 0 0 305.378 1.155 50 0 DDAARN C[C@H](CC(=O)c1ccccc1F)C(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000078932624 185130426 /nfs/dbraw/zinc/13/04/26/185130426.db2.gz NHMXLMHTRYCNJL-BXUZGUMPSA-N 0 0 320.364 1.724 50 0 DDAARN COC(=O)C1CCN(C(=O)Cc2ccc(NC(C)=O)cc2)CC1 ZINC000078945760 185133265 /nfs/dbraw/zinc/13/32/65/185133265.db2.gz JPTPNTBPXPAABK-UHFFFAOYSA-N 0 0 318.373 1.599 50 0 DDAARN Cc1nc(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)sc1C ZINC000078970943 185137036 /nfs/dbraw/zinc/13/70/36/185137036.db2.gz AVFLAVIUFWLPNJ-GFCCVEGCSA-N 0 0 322.478 1.545 50 0 DDAARN COC(=O)c1ncn(CC(=O)N[C@H](c2ccccc2)C2CC2)n1 ZINC000078995538 185142909 /nfs/dbraw/zinc/14/29/09/185142909.db2.gz BNIXNNDYVWGCKD-CQSZACIVSA-N 0 0 314.345 1.332 50 0 DDAARN Cc1n[nH]cc1S(=O)(=O)N1CCC[C@H]1COc1ccccc1 ZINC000079097854 185157893 /nfs/dbraw/zinc/15/78/93/185157893.db2.gz JSLVMBCUIOCRKJ-ZDUSSCGKSA-N 0 0 321.402 1.950 50 0 DDAARN O=C(NCCc1ccccn1)C1(n2cnnn2)CCCCC1 ZINC000079474152 185172805 /nfs/dbraw/zinc/17/28/05/185172805.db2.gz KDSUJDCPZIQKDD-UHFFFAOYSA-N 0 0 300.366 1.086 50 0 DDAARN CCOC(=O)[C@@H](C)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000079354802 185166533 /nfs/dbraw/zinc/16/65/33/185166533.db2.gz APTHBYMZNHNNEF-LLVKDONJSA-N 0 0 303.362 1.848 50 0 DDAARN CCOC(=O)c1c(C)c(CCC(=O)N2CCOCC2)n(C)c1C ZINC000035509439 539031062 /nfs/dbraw/zinc/03/10/62/539031062.db2.gz KWCGKQOCZVVELV-UHFFFAOYSA-N 0 0 322.405 1.610 50 0 DDAARN COc1ccnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000065531236 539032890 /nfs/dbraw/zinc/03/28/90/539032890.db2.gz FMVDRRUHFYMXLM-OAHLLOKOSA-N 0 0 314.389 1.341 50 0 DDAARN Cc1ccc(NC(=O)C(=O)NNc2cnccn2)c(Cl)c1 ZINC000096013259 539177967 /nfs/dbraw/zinc/17/79/67/539177967.db2.gz OILLYZZOCJBLLY-UHFFFAOYSA-N 0 0 305.725 1.520 50 0 DDAARN C[C@@H]1CCCN1S(=O)(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000170619189 539227126 /nfs/dbraw/zinc/22/71/26/539227126.db2.gz BJQMIZFWKFZKQM-LLVKDONJSA-N 0 0 314.382 1.058 50 0 DDAARN O=C1C[C@@H](CNS(=O)(=O)CC2CCCC2)CN1C1CC1 ZINC000180652127 539236048 /nfs/dbraw/zinc/23/60/48/539236048.db2.gz CPMDFRBQHXMCML-LBPRGKRZSA-N 0 0 300.424 1.107 50 0 DDAARN C[C@@](CO)(NC(=O)NCCCn1cccn1)C1CCCCC1 ZINC000088482474 185252840 /nfs/dbraw/zinc/25/28/40/185252840.db2.gz QSKACHKGXDNRIU-INIZCTEOSA-N 0 0 308.426 1.904 50 0 DDAARN COc1cc(/C=C\C(=O)N2CCN(C(C)=O)CC2)cc(OC)c1 ZINC000096935830 185392846 /nfs/dbraw/zinc/39/28/46/185392846.db2.gz BSMNVFDNDUOAEQ-PLNGDYQASA-N 0 0 318.373 1.408 50 0 DDAARN CSc1ncc(C(=O)NCCc2nc(C)cc(C)n2)cn1 ZINC000220670078 539265027 /nfs/dbraw/zinc/26/50/27/539265027.db2.gz KOOSIIYVZLVJSR-UHFFFAOYSA-N 0 0 303.391 1.578 50 0 DDAARN O=S(=O)(Cc1cccc(F)c1)NCc1nnc2ccccn21 ZINC000088767713 185264743 /nfs/dbraw/zinc/26/47/43/185264743.db2.gz AGSKUVUJHNJQIS-UHFFFAOYSA-N 0 0 320.349 1.488 50 0 DDAARN Cc1nn(CCO)cc1CN(C)Cc1ccc2nonc2c1 ZINC000215736795 539264457 /nfs/dbraw/zinc/26/44/57/539264457.db2.gz ZGGZCICKJLPWIJ-UHFFFAOYSA-N 0 0 301.350 1.352 50 0 DDAARN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1oc(C)nc1C)CC2 ZINC000089986400 185274689 /nfs/dbraw/zinc/27/46/89/185274689.db2.gz ZCKVRCBVUVKENF-CHWSQXEVSA-N 0 0 308.378 1.684 50 0 DDAARN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cn(C)nc1C)CC2 ZINC000089986505 185274817 /nfs/dbraw/zinc/27/48/17/185274817.db2.gz VOITXMSJSROMLR-KGLIPLIRSA-N 0 0 307.394 1.121 50 0 DDAARN Cn1c2ccc(NC(=O)[C@H]3CN(C)CCO3)cc2nc1C1CC1 ZINC000089989369 185275057 /nfs/dbraw/zinc/27/50/57/185275057.db2.gz NKDJFARQNNAAEI-OAHLLOKOSA-N 0 0 314.389 1.720 50 0 DDAARN CC[C@H]1CCCCN1C(=O)COC(=O)CCc1ccc(N)nc1 ZINC000089948286 185270936 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O=C1C[C@H](N2CCC(=O)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000020437370 182217871 /nfs/dbraw/zinc/21/78/71/182217871.db2.gz MCPPQDZFSNMASY-ZDUSSCGKSA-N 0 0 306.749 1.637 50 0 DDAARN O=Cc1cc(Cl)ccc1OCCOCCN1CCOCC1 ZINC000020653053 182241971 /nfs/dbraw/zinc/24/19/71/182241971.db2.gz JKAXVHMTYQADCN-UHFFFAOYSA-N 0 0 313.781 1.880 50 0 DDAARN Cc1ccc(C(=O)NCCn2cnc3ccccc3c2=O)cn1 ZINC000020744933 182245751 /nfs/dbraw/zinc/24/57/51/182245751.db2.gz HHFVZSXXDOQKQA-UHFFFAOYSA-N 0 0 308.341 1.530 50 0 DDAARN Cc1noc(C)c1CC(=O)N1CCC(O)(c2cccnc2)CC1 ZINC000020866651 182250936 /nfs/dbraw/zinc/25/09/36/182250936.db2.gz UZBWTCDNMSBOEP-UHFFFAOYSA-N 0 0 315.373 1.739 50 0 DDAARN Brc1ccc(-c2nnc(CN3CCOCC3)o2)o1 ZINC000020939988 182255957 /nfs/dbraw/zinc/25/59/57/182255957.db2.gz PDAGCYNQGZIWSN-UHFFFAOYSA-N 0 0 314.139 1.924 50 0 DDAARN CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccc(NC(C)=O)cc1 ZINC000021133462 182265862 /nfs/dbraw/zinc/26/58/62/182265862.db2.gz KKJDFFHFLVOAEH-QMTHXVAHSA-N 0 0 320.393 1.344 50 0 DDAARN 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322.368 1.957 50 0 DDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc[nH]n2)cc1 ZINC000023142484 182351409 /nfs/dbraw/zinc/35/14/09/182351409.db2.gz OBRWUOCFYBMTDJ-UHFFFAOYSA-N 0 0 323.378 1.088 50 0 DDAARN O=C(CCN1CCCCO1)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000023146026 182351624 /nfs/dbraw/zinc/35/16/24/182351624.db2.gz HXHFNJFQRYVMLH-UHFFFAOYSA-N 0 0 318.421 1.979 50 0 DDAARN COCCn1nc(C(=O)N[C@H](C)c2ccc(C)o2)ccc1=O ZINC000023306360 182356528 /nfs/dbraw/zinc/35/65/28/182356528.db2.gz WVSXOWUOBSEOLI-LLVKDONJSA-N 0 0 305.334 1.282 50 0 DDAARN CCN1CCN(C(=O)c2cnc3sc(C)c(C)n3c2=O)CC1 ZINC000023119889 182348307 /nfs/dbraw/zinc/34/83/07/182348307.db2.gz RGZUSOJUXUUTNN-UHFFFAOYSA-N 0 0 320.418 1.151 50 0 DDAARN Cc1nc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cc(=O)[nH]1 ZINC000023379805 182359207 /nfs/dbraw/zinc/35/92/07/182359207.db2.gz BVXDCDWRQBACNP-UHFFFAOYSA-N 0 0 309.329 1.398 50 0 DDAARN O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)COCc1cccs1 ZINC000024101828 182375099 /nfs/dbraw/zinc/37/50/99/182375099.db2.gz 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/nfs/dbraw/zinc/21/03/16/407210316.db2.gz VDIDOXOWRNAPOQ-UHFFFAOYSA-N 0 0 322.372 1.587 50 0 DDAARN O=C(Nc1nnc2n1CCCC2)c1cc(-c2cccnc2)on1 ZINC000095468546 407214355 /nfs/dbraw/zinc/21/43/55/407214355.db2.gz ZRPZQGYJBYSWBM-UHFFFAOYSA-N 0 0 310.317 1.917 50 0 DDAARN CCc1ccc(NC(=O)[C@@H](C)N[C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000058066552 407218909 /nfs/dbraw/zinc/21/89/09/407218909.db2.gz OBBQXLWOYIEUBP-WBMJQRKESA-N 0 0 324.446 1.743 50 0 DDAARN CC(C)[C@H](O)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000095977358 407219350 /nfs/dbraw/zinc/21/93/50/407219350.db2.gz OWDXESXBUSXBOF-JKSUJKDBSA-N 0 0 318.417 1.701 50 0 DDAARN Cc1nc(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000095976008 407219704 /nfs/dbraw/zinc/21/97/04/407219704.db2.gz WVGRKYAGCLNPSQ-DTORHVGOSA-N 0 0 319.452 1.204 50 0 DDAARN Cc1c(C(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)cnn1C ZINC000095981850 407220416 /nfs/dbraw/zinc/22/04/16/407220416.db2.gz PYSAKIVCZJIYLH-UHFFFAOYSA-N 0 0 324.388 1.567 50 0 DDAARN CNC(=O)[C@H](C)Sc1n[nH]c(-c2ccc(OC)cc2OC)n1 ZINC000058341367 407220500 /nfs/dbraw/zinc/22/05/00/407220500.db2.gz PLALFGSEQQZKHL-QMMMGPOBSA-N 0 0 322.390 1.716 50 0 DDAARN Cc1ccc(C[C@@H](C)NC(=O)CCN2C(=O)CCC2=O)s1 ZINC000096413934 407262059 /nfs/dbraw/zinc/26/20/59/407262059.db2.gz YNLVLGBKCRXNTA-SNVBAGLBSA-N 0 0 308.403 1.643 50 0 DDAARN O=C(CN1CCN(C(=O)CCC2CCCC2)CC1)NC1CC1 ZINC000058368237 407220722 /nfs/dbraw/zinc/22/07/22/407220722.db2.gz MVKLLYGFTZTZNU-UHFFFAOYSA-N 0 0 307.438 1.380 50 0 DDAARN CNC(=O)[C@H]1CN(Cc2cnc(C)s2)c2ccccc2O1 ZINC000058358235 407220726 /nfs/dbraw/zinc/22/07/26/407220726.db2.gz YNFXFDYNBYNALS-CQSZACIVSA-N 0 0 303.387 1.965 50 0 DDAARN O=C(c1cncc(-c2ccc(Cl)cc2)c1)N(CCO)CCO ZINC000095985955 407220870 /nfs/dbraw/zinc/22/08/70/407220870.db2.gz JQHCZGVULRDFCW-UHFFFAOYSA-N 0 0 320.776 1.829 50 0 DDAARN Cc1c([C@H](C)NC(=O)CNC(=O)CC2CCCCC2)cnn1C ZINC000058343531 407220914 /nfs/dbraw/zinc/22/09/14/407220914.db2.gz ROPBKSNKXRDSPN-LBPRGKRZSA-N 0 0 320.437 1.992 50 0 DDAARN CCc1ccc(C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)o1 ZINC000095984610 407220962 /nfs/dbraw/zinc/22/09/62/407220962.db2.gz WLHAGCGBFAAXPX-LBPRGKRZSA-N 0 0 308.378 1.551 50 0 DDAARN CNC(=O)NC(=O)[C@H](C)Nc1cccc(OC(F)F)c1C ZINC000058342342 407221209 /nfs/dbraw/zinc/22/12/09/407221209.db2.gz KJQDBIRCCLQTOD-QMMMGPOBSA-N 0 0 301.293 1.852 50 0 DDAARN CCCCn1nnnc1CSc1nnnn1-c1ccccc1 ZINC000058342394 407221293 /nfs/dbraw/zinc/22/12/93/407221293.db2.gz OUBPOWJGTZRPAX-UHFFFAOYSA-N 0 0 316.394 1.741 50 0 DDAARN Cc1cc(C)n(CC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)n1 ZINC000095991320 407221651 /nfs/dbraw/zinc/22/16/51/407221651.db2.gz YDJBBFWBZFRVET-YAJUMTOWSA-N 0 0 321.421 1.938 50 0 DDAARN COc1ccc(C(=O)N2CCC3(CCC3)C2)cc1-n1cnnn1 ZINC000096005779 407222525 /nfs/dbraw/zinc/22/25/25/407222525.db2.gz BNSPLCYTCJSACA-UHFFFAOYSA-N 0 0 313.361 1.687 50 0 DDAARN Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@@H](O)c1ccco1 ZINC000096025962 407224353 /nfs/dbraw/zinc/22/43/53/407224353.db2.gz PENNMHVIPDBOKO-LLVKDONJSA-N 0 0 313.379 1.032 50 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ZINC000096495982 407273625 /nfs/dbraw/zinc/27/36/25/407273625.db2.gz VDDWHNPXDNBLOS-CYBMUJFWSA-N 0 0 310.156 1.532 50 0 DDAARN COCCN1CCN(Cc2cccc(-n3cccn3)c2)CC1=O ZINC000097051966 407277033 /nfs/dbraw/zinc/27/70/33/407277033.db2.gz DCNDZCKETYJWGW-UHFFFAOYSA-N 0 0 314.389 1.163 50 0 DDAARN NC(=O)c1cncc(N2Cc3cnc(-c4ccccc4)nc3C2)n1 ZINC000067643470 407278403 /nfs/dbraw/zinc/27/84/03/407278403.db2.gz MLSSBXNWLODBCE-UHFFFAOYSA-N 0 0 318.340 1.553 50 0 DDAARN Cc1c([C@H]2NCCc3[nH]cnc32)c(=O)n(-c2ccccc2)n1C ZINC000067676197 407279880 /nfs/dbraw/zinc/27/98/80/407279880.db2.gz ZIWPLWWEXNTCGR-MRXNPFEDSA-N 0 0 309.373 1.443 50 0 DDAARN Cn1nc2c(cc1=O)CN(C(=O)c1c(F)ccc(F)c1F)CC2 ZINC000097097042 407279937 /nfs/dbraw/zinc/27/99/37/407279937.db2.gz FYTMBJUEAPZBAF-UHFFFAOYSA-N 0 0 323.274 1.396 50 0 DDAARN CCc1noc([C@H](C)N2CCN(Cc3cscn3)CC2)n1 ZINC000067712507 407281774 /nfs/dbraw/zinc/28/17/74/407281774.db2.gz UQUVGXDFCDAAIF-NSHDSACASA-N 0 0 307.423 1.967 50 0 DDAARN 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/nfs/dbraw/zinc/92/82/48/771928248.db2.gz ZLZDXWKYUKZXSB-LLVKDONJSA-N 0 0 311.341 1.798 50 0 DDAARN CO[C@@](C)(C(=O)N[C@H](CO)c1cccnc1)c1ccccc1F ZINC000585088067 771938157 /nfs/dbraw/zinc/93/81/57/771938157.db2.gz JFOBFQAOGGTUJY-NVXWUHKLSA-N 0 0 318.348 1.932 50 0 DDAARN COCOc1ccc(OC)cc1CN1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000585116969 771949664 /nfs/dbraw/zinc/94/96/64/771949664.db2.gz NXRVUCNIBZTELA-RWMBFGLXSA-N 0 0 322.405 1.775 50 0 DDAARN CCCCOc1ncccc1CNC(=O)/C=C/Cn1cncn1 ZINC000585122261 771953203 /nfs/dbraw/zinc/95/32/03/771953203.db2.gz UIELFVYXXMEZND-FNORWQNLSA-N 0 0 315.377 1.725 50 0 DDAARN Cn1c(=O)ccc2c(NC(=O)N3CC(C(C)(C)O)C3)cccc21 ZINC000585119612 771954276 /nfs/dbraw/zinc/95/42/76/771954276.db2.gz NBBYIZNRYOXWDB-UHFFFAOYSA-N 0 0 315.373 1.773 50 0 DDAARN CN(c1ccn(C)n1)S(=O)(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000585119692 771954351 /nfs/dbraw/zinc/95/43/51/771954351.db2.gz QEVOKQVIXCKABA-QWHCGFSZSA-N 0 0 312.439 1.613 50 0 DDAARN O=C(CCc1cn[nH]c1)Nc1ccc(CN2CCOC2=O)cc1 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O=c1ccc(C2CC2)nn1CC1CN(c2ncc(Cl)cn2)C1 ZINC000585603331 773683875 /nfs/dbraw/zinc/68/38/75/773683875.db2.gz OVRRFZPUHVYIIS-UHFFFAOYSA-N 0 0 317.780 1.701 50 0 DDAARN Cc1ccc2ncc(Cn3cc(CN4CC[C@@H](O)C4)nn3)cc2c1 ZINC000952849842 775571051 /nfs/dbraw/zinc/57/10/51/775571051.db2.gz RWWTUOKCIINDHZ-QGZVFWFLSA-N 0 0 323.400 1.750 50 0 DDAARN CC1(C)[C@H]2C[C@@H]1[C@@H](CNC(=O)CC[C@@H]1NC(=O)NC1=O)CC2 ZINC000952868524 775597334 /nfs/dbraw/zinc/59/73/34/775597334.db2.gz AWGPFQJCYYOFDW-KKOKHZNYSA-N 0 0 307.394 1.163 50 0 DDAARN O=C1COc2ncc(NCc3cccc4c3OCCO4)cc2N1 ZINC000952876492 775624966 /nfs/dbraw/zinc/62/49/66/775624966.db2.gz SFKLGRMIWLVDMT-UHFFFAOYSA-N 0 0 313.313 1.796 50 0 DDAARN CC(=O)c1cnc(Cl)nc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000952878622 775628332 /nfs/dbraw/zinc/62/83/32/775628332.db2.gz CIIOZEANNOZXAL-ZWNOBZJWSA-N 0 0 324.812 1.490 50 0 DDAARN C[C@@H]1CCN(c2nnnn2Cc2ccnn2C)CC12CCC2 ZINC000952879068 775629351 /nfs/dbraw/zinc/62/93/51/775629351.db2.gz MKHPQDAMDITARL-GFCCVEGCSA-N 0 0 301.398 1.471 50 0 DDAARN CC1([C@H]2CCCN(c3nnnn3C[C@@H]3C=CCC3)C2)OCCO1 ZINC000952880704 775634092 /nfs/dbraw/zinc/63/40/92/775634092.db2.gz WYMJHDSGJUCRGT-KGLIPLIRSA-N 0 0 319.409 1.619 50 0 DDAARN CC[C@]1(O)CCOC2(CCN(C(=O)c3cn(C)nc3C)CC2)C1 ZINC000409419893 878182917 /nfs/dbraw/zinc/18/29/17/878182917.db2.gz JSURHWREBGEAQT-INIZCTEOSA-N 0 0 321.421 1.655 50 0 DDAARN COc1ccc(N2CCC[C@H](C(=O)Nc3cccnc3)C2)nn1 ZINC000095474996 185373336 /nfs/dbraw/zinc/37/33/36/185373336.db2.gz CXIMNZLYCSMMQG-LBPRGKRZSA-N 0 0 313.361 1.735 50 0 DDAARN Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1cccnc1 ZINC000095476019 185373354 /nfs/dbraw/zinc/37/33/54/185373354.db2.gz YBDLECHYBAQMNI-UHFFFAOYSA-N 0 0 312.304 1.878 50 0 DDAARN O=C(CCc1ccc2c(c1)CCO2)NCc1nnc2ccccn21 ZINC000095480255 185373717 /nfs/dbraw/zinc/37/37/17/185373717.db2.gz UJBFHQOGPAXYMH-UHFFFAOYSA-N 0 0 322.368 1.913 50 0 DDAARN CSCC[C@H](NC(C)=O)c1nc(-c2ccccn2)nn1C ZINC000095510237 185376152 /nfs/dbraw/zinc/37/61/52/185376152.db2.gz 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C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@@](C)(O)c2ccco2)C1 ZINC000221951574 539265338 /nfs/dbraw/zinc/26/53/38/539265338.db2.gz OYPSKOROPGEWQM-YRGRVCCFSA-N 0 0 316.423 1.299 50 0 DDAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)CCn1cncn1 ZINC000089969177 185272313 /nfs/dbraw/zinc/27/23/13/185272313.db2.gz FEUGTBRDWHOTDN-ZDUSSCGKSA-N 0 0 316.361 1.357 50 0 DDAARN CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cn(C)nc1C)CC2 ZINC000089986502 185274635 /nfs/dbraw/zinc/27/46/35/185274635.db2.gz VOITXMSJSROMLR-KBPBESRZSA-N 0 0 307.394 1.121 50 0 DDAARN CC[C@H]1NC(=O)N(Cc2cn(-c3ccc(Cl)cc3)nn2)C1=O ZINC000089948205 185270904 /nfs/dbraw/zinc/27/09/04/185270904.db2.gz JUWCYXNBGBKEGW-GFCCVEGCSA-N 0 0 319.752 1.751 50 0 DDAARN C[C@@H](NC(=O)C(=O)NCC[C@H](O)c1ccoc1)c1ccccc1 ZINC000090613185 185306737 /nfs/dbraw/zinc/30/67/37/185306737.db2.gz KUEMQBHOFUGXMU-DOMZBBRYSA-N 0 0 316.357 1.697 50 0 DDAARN COc1ccc(CN(Cc2cc(C)on2)S(C)(=O)=O)cc1 ZINC000092334356 185312845 /nfs/dbraw/zinc/31/28/45/185312845.db2.gz CMUJASUFXZQJJF-UHFFFAOYSA-N 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biogenic DDAARN Nc1nc(-c2ccncc2)ncc1S(=O)(=O)Cc1ccco1 ZINC000000125453 406623684 /nfs/dbraw/zinc/62/36/84/406623684.db2.gz PSFYTEUACAVARZ-UHFFFAOYSA-N 0 0 316.342 1.688 50 0 DDAARN COc1ccccc1N1CCN(C(=O)c2cc(C)on2)CC1 ZINC000000112355 406623981 /nfs/dbraw/zinc/62/39/81/406623981.db2.gz ICYOAKHSHPCVMP-UHFFFAOYSA-N 0 0 301.346 1.954 50 0 DDAARN COC(=O)c1sc2ncn([C@@H](C)C(=O)OC)c(=O)c2c1C ZINC000000132411 406624182 /nfs/dbraw/zinc/62/41/82/406624182.db2.gz WUCNTFSHKREYGD-ZETCQYMHSA-N 0 0 310.331 1.287 50 0 DDAARN COc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000000177064 406627928 /nfs/dbraw/zinc/62/79/28/406627928.db2.gz VEKDUPIHGMAZHW-QWRGUYRKSA-N 0 0 309.362 1.962 50 0 DDAARN CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000000208848 406630987 /nfs/dbraw/zinc/63/09/87/406630987.db2.gz HXPRVMGVQYXDIN-UHFFFAOYSA-N 0 0 310.419 1.532 50 0 DDAARN CS(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000000219328 406631043 /nfs/dbraw/zinc/63/10/43/406631043.db2.gz BKQMBPORDWAANM-CYBMUJFWSA-N 0 0 316.467 1.887 50 0 DDAARN O=C(CN1C(=O)CSc2ccccc21)NC[C@H]1CCCO1 ZINC000000218710 406631773 /nfs/dbraw/zinc/63/17/73/406631773.db2.gz PRJYPEDKGOTOJB-LLVKDONJSA-N 0 0 306.387 1.421 50 0 DDAARN CC[C@H](C)N1C(=O)CC[C@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000219096 406632177 /nfs/dbraw/zinc/63/21/77/406632177.db2.gz QMYKOBWFYJNVCQ-AAEUAGOBSA-N 0 0 318.373 1.821 50 0 DDAARN CC[C@@H](Sc1nc2c(c(=O)n1C)S[C@H](C)C2)C(=O)OC ZINC000000250254 406633482 /nfs/dbraw/zinc/63/34/82/406633482.db2.gz CWXHWZQFBXTFRT-VXNVDRBHSA-N 0 0 314.432 1.861 50 0 DDAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000000479511 406650671 /nfs/dbraw/zinc/65/06/71/406650671.db2.gz AHUNZMANFMSYKZ-GFCCVEGCSA-N 0 0 310.419 1.721 50 0 DDAARN O=C(CCNC(=O)N1CCc2sccc2C1)N1CCCC1 ZINC000069379105 406703223 /nfs/dbraw/zinc/70/32/23/406703223.db2.gz QYVWEJQTPHTUAP-UHFFFAOYSA-N 0 0 307.419 1.828 50 0 DDAARN O=C(c1ccc(=O)[nH]n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000539640 406656677 /nfs/dbraw/zinc/65/66/77/406656677.db2.gz UCQDDXNCRKQALH-UHFFFAOYSA-N 0 0 318.764 1.798 50 0 DDAARN CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000000581061 406656838 /nfs/dbraw/zinc/65/68/38/406656838.db2.gz RKOFHHWADFQFLI-UHFFFAOYSA-N 0 0 322.361 1.767 50 0 DDAARN CCc1ccc(N2C[C@H](C(=O)NC3=NCCS3)CC2=O)cc1 ZINC000000806834 406659450 /nfs/dbraw/zinc/65/94/50/406659450.db2.gz PNHJCROIIQEMEE-GFCCVEGCSA-N 0 0 317.414 1.821 50 0 DDAARN Cc1noc(C)c1Cn1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000001290767 406665245 /nfs/dbraw/zinc/66/52/45/406665245.db2.gz BRLMZRBFXPKGMI-UHFFFAOYSA-N 0 0 318.358 1.518 50 0 DDAARN O=C(Nc1nccs1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001257935 406666926 /nfs/dbraw/zinc/66/69/26/406666926.db2.gz KZVCIOBGQSPCQD-UHFFFAOYSA-N 0 0 313.338 1.972 50 0 DDAARN Brc1ccccc1-n1nnnc1Cn1ccnc1 ZINC000068966737 406674908 /nfs/dbraw/zinc/67/49/08/406674908.db2.gz OELSAPXZZPUOJG-UHFFFAOYSA-N 0 0 305.139 1.670 50 0 DDAARN COc1ccc(CNC(=O)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000002901025 406705012 /nfs/dbraw/zinc/70/50/12/406705012.db2.gz WDLCZAMKDHLIKN-UHFFFAOYSA-N 0 0 314.341 1.959 50 0 DDAARN Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000002504065 406689320 /nfs/dbraw/zinc/68/93/20/406689320.db2.gz XWPPBQKHVBOPGN-UHFFFAOYSA-N 0 0 324.387 1.622 50 0 DDAARN O=C(c1cc2ccccc2[nH]1)N1CCN(c2ncccn2)CC1 ZINC000002512150 406691513 /nfs/dbraw/zinc/69/15/13/406691513.db2.gz GIVOVVHLQZSIMC-UHFFFAOYSA-N 0 0 307.357 1.920 50 0 DDAARN COc1cc(C(=O)OCC(=O)N2CCCC2=O)cc(OC)c1C ZINC000002656513 406696236 /nfs/dbraw/zinc/69/62/36/406696236.db2.gz XROALOXOLSKELI-UHFFFAOYSA-N 0 0 321.329 1.318 50 0 DDAARN Cc1c(Br)c(C(=O)NC[C@H]2CCCO2)nn1C ZINC000002780326 406698964 /nfs/dbraw/zinc/69/89/64/406698964.db2.gz FAMLOYNUPZGAIX-MRVPVSSYSA-N 0 0 302.172 1.400 50 0 DDAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)N1CCOCC1 ZINC000002792132 406701648 /nfs/dbraw/zinc/70/16/48/406701648.db2.gz IYQBRXVXZDAMQK-VIFPVBQESA-N 0 0 305.300 1.705 50 0 DDAARN CCn1cc2nc(SCc3nonc3C)n(CC)c(=O)c2n1 ZINC000002802245 406701896 /nfs/dbraw/zinc/70/18/96/406701896.db2.gz QBDJYGATAIRAHG-UHFFFAOYSA-N 0 0 320.378 1.617 50 0 DDAARN O=C(NCc1cccnc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000300256 406639190 /nfs/dbraw/zinc/63/91/90/406639190.db2.gz DJZIZSLTZDQTTC-ZDUSSCGKSA-N 0 0 313.332 1.890 50 0 DDAARN COc1ccc(CNC(=O)Cn2nnc(-c3ccncc3)n2)cc1 ZINC000000415041 406645236 /nfs/dbraw/zinc/64/52/36/406645236.db2.gz GZONFCWISTWCNF-UHFFFAOYSA-N 0 0 324.344 1.060 50 0 DDAARN CS(=O)(=O)CS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000396610 406645470 /nfs/dbraw/zinc/64/54/70/406645470.db2.gz TYNVQYSDHPGIGV-UHFFFAOYSA-N 0 0 303.188 1.769 50 0 DDAARN COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C3CC3)cc12 ZINC000000427769 406647792 /nfs/dbraw/zinc/64/77/92/406647792.db2.gz RMSVNZLHMVHFNR-UHFFFAOYSA-N 0 0 316.357 1.614 50 0 DDAARN CN(C)[C@H](c1nnnn1C(C)(C)C)c1ccc2c(c1)OCO2 ZINC000005383919 406732318 /nfs/dbraw/zinc/73/23/18/406732318.db2.gz VNZXDYQRJWPKHZ-ZDUSSCGKSA-N 0 0 303.366 1.808 50 0 DDAARN CN(Cc1cccs1)C(=O)CN1CCC[C@H]1Cn1cncn1 ZINC000069560248 406733285 /nfs/dbraw/zinc/73/32/85/406733285.db2.gz JKPYMMXBLFOVFP-ZDUSSCGKSA-N 0 0 319.434 1.463 50 0 DDAARN CN(CC(N)=O)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000069567135 406733932 /nfs/dbraw/zinc/73/39/32/406733932.db2.gz OMVWWGFZJPURMS-UHFFFAOYSA-N 0 0 319.342 1.096 50 0 DDAARN CN(Cc1ccco1)C(=O)CN1CCCC[C@H]1C1OCCO1 ZINC000069569239 406736700 /nfs/dbraw/zinc/73/67/00/406736700.db2.gz RLECBUHCOZNLRB-AWEZNQCLSA-N 0 0 308.378 1.465 50 0 DDAARN Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1C(N)=O ZINC000006850527 406741562 /nfs/dbraw/zinc/74/15/62/406741562.db2.gz TXYLMWDCVOGILT-UHFFFAOYSA-N 0 0 317.320 1.342 50 0 DDAARN CC1=C(C(N)=O)[C@H](c2ccc(OC(F)F)cc2)n2ncnc2N1 ZINC000006849173 406741772 /nfs/dbraw/zinc/74/17/72/406741772.db2.gz LCMKRSYKXUWEDC-NSHDSACASA-N 0 0 321.287 1.654 50 0 DDAARN c1cnn(C[C@H]2CN(Cc3cccc4c3OCCO4)CCO2)c1 ZINC000069600881 406744150 /nfs/dbraw/zinc/74/41/50/406744150.db2.gz PXFABGXLXZHJGW-OAHLLOKOSA-N 0 0 315.373 1.555 50 0 DDAARN Cc1cnc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000069625473 406745023 /nfs/dbraw/zinc/74/50/23/406745023.db2.gz WBYBAKBZQADBBR-GOSISDBHSA-N 0 0 312.417 1.636 50 0 DDAARN Cn1cc([C@@H]2CCCN2Cc2nc3ccccc3c(=O)[nH]2)cn1 ZINC000069628265 406745628 /nfs/dbraw/zinc/74/56/28/406745628.db2.gz XQXSBJUAOXMROI-HNNXBMFYSA-N 0 0 309.373 1.994 50 0 DDAARN CC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000069626756 406745750 /nfs/dbraw/zinc/74/57/50/406745750.db2.gz XYXOSDFRWYDCQJ-JKSUJKDBSA-N 0 0 318.421 1.838 50 0 DDAARN C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)C[C@@H](C)O1 ZINC000007159772 406749978 /nfs/dbraw/zinc/74/99/78/406749978.db2.gz RWUHLABFPOOQIR-CHWSQXEVSA-N 0 0 315.373 1.805 50 0 DDAARN CNC(=O)NC(=O)CSc1nccn1-c1cccc(C)c1 ZINC000007061152 406750269 /nfs/dbraw/zinc/75/02/69/406750269.db2.gz FQFMQNNJSTYQOT-UHFFFAOYSA-N 0 0 304.375 1.728 50 0 DDAARN COc1ccccc1CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000007305617 406753223 /nfs/dbraw/zinc/75/32/23/406753223.db2.gz NMAKUYZNRCWINC-LRDDRELGSA-N 0 0 320.414 1.765 50 0 DDAARN CCOc1cc(C)nc(N2CCN(Cc3nccn3C)CC2)n1 ZINC000069704326 406759551 /nfs/dbraw/zinc/75/95/51/406759551.db2.gz JIXYIDLOGPOMSY-UHFFFAOYSA-N 0 0 316.409 1.239 50 0 DDAARN O[C@@H](COCc1ccccc1F)CN1CCc2cncnc2C1 ZINC000069707077 406761023 /nfs/dbraw/zinc/76/10/23/406761023.db2.gz FQZIKNXCCNLBFE-OAHLLOKOSA-N 0 0 317.364 1.552 50 0 DDAARN S=C(NCc1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000007572436 406761079 /nfs/dbraw/zinc/76/10/79/406761079.db2.gz IRZYFEKDJWKDIL-UHFFFAOYSA-N 0 0 313.430 1.673 50 0 DDAARN CC(C)NC(=O)CS(=O)(=O)Cc1ccc(-n2cccn2)cc1 ZINC000069737670 406762398 /nfs/dbraw/zinc/76/23/98/406762398.db2.gz IVNPFYQGUWJGLE-UHFFFAOYSA-N 0 0 321.402 1.312 50 0 DDAARN CCc1cccc(C)c1NC(=O)CN(C)CC(=O)NC1CC1 ZINC000007926008 406772897 /nfs/dbraw/zinc/77/28/97/406772897.db2.gz YQXPMOGZFXLLIX-UHFFFAOYSA-N 0 0 303.406 1.706 50 0 DDAARN O=C(Cc1[nH]nc2ccccc21)N1CCC[C@H]1Cn1cccn1 ZINC000069742094 406765253 /nfs/dbraw/zinc/76/52/53/406765253.db2.gz PQASHZDHJIBLKG-ZDUSSCGKSA-N 0 0 309.373 1.993 50 0 DDAARN Cc1cccc2[nH]cc(CC(=O)N3CCN(C[C@H](C)O)CC3)c21 ZINC000069742844 406766890 /nfs/dbraw/zinc/76/68/90/406766890.db2.gz JTXNIAMWCISJTA-AWEZNQCLSA-N 0 0 315.417 1.544 50 0 DDAARN CCNC(=O)[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C ZINC000007778594 406766942 /nfs/dbraw/zinc/76/69/42/406766942.db2.gz DYNVHTWRQVKYGO-AWEZNQCLSA-N 0 0 308.378 1.594 50 0 DDAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1CC1 ZINC000007741164 406767255 /nfs/dbraw/zinc/76/72/55/406767255.db2.gz BBKXKJDGLFPHNZ-GFCCVEGCSA-N 0 0 322.430 1.999 50 0 DDAARN CC[C@H](C)NC(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000002987852 406708343 /nfs/dbraw/zinc/70/83/43/406708343.db2.gz FFXRHAWYMXCKBO-NSHDSACASA-N 0 0 314.407 1.376 50 0 DDAARN O=C(NCCc1ccccc1F)C(=O)NCc1ccccc1 ZINC000003096071 406710579 /nfs/dbraw/zinc/71/05/79/406710579.db2.gz WDEHDLMVLUGEIC-UHFFFAOYSA-N 0 0 300.333 1.801 50 0 DDAARN COCCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl ZINC000003026101 406712157 /nfs/dbraw/zinc/71/21/57/406712157.db2.gz SLQVVKYIMOJGIK-AWEZNQCLSA-N 0 0 324.808 1.984 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CCC[C@H]1NC(=O)N(Cc2nc(-c3ccccn3)no2)C1=O ZINC000069488099 406719523 /nfs/dbraw/zinc/71/95/23/406719523.db2.gz MQINBDLZIKUEEV-SNVBAGLBSA-N 0 0 301.306 1.352 50 0 DDAARN O=C(COC(=O)c1cccs1)N1CC(=O)Nc2ccccc21 ZINC000003529930 406719659 /nfs/dbraw/zinc/71/96/59/406719659.db2.gz NESOIFNNNGIGML-UHFFFAOYSA-N 0 0 316.338 1.890 50 0 DDAARN C[C@H]1CCCN(C(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000069484171 406720733 /nfs/dbraw/zinc/72/07/33/406720733.db2.gz SCKZDZDEHLDISI-QMMMGPOBSA-N 0 0 323.344 1.586 50 0 DDAARN O=c1cc2c(nn1CCS(=O)(=O)c1ccccc1)CCC2 ZINC000069485337 406720779 /nfs/dbraw/zinc/72/07/79/406720779.db2.gz OHYCKGPXPSULLO-UHFFFAOYSA-N 0 0 304.371 1.206 50 0 DDAARN CCCN1CC2=C(C1=O)[C@@H](c1ccc(OC)cc1)NC(=O)N2C ZINC000004144085 406721856 /nfs/dbraw/zinc/72/18/56/406721856.db2.gz SLIANMHGKURKCJ-OAHLLOKOSA-N 0 0 315.373 1.898 50 0 DDAARN COc1ccc(NC(=O)CN2CCCC[C@@H]2C2OCCO2)cc1 ZINC000069489815 406723632 /nfs/dbraw/zinc/72/36/32/406723632.db2.gz QZWHMHGGKZACGH-OAHLLOKOSA-N 0 0 320.389 1.861 50 0 DDAARN CC(C)CC(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1 ZINC000004583184 406726028 /nfs/dbraw/zinc/72/60/28/406726028.db2.gz AANDEVTYYJUASY-UHFFFAOYSA-N 0 0 317.437 1.772 50 0 DDAARN COc1ccc(Cl)cc1CN1CCN([C@@H](C)C(N)=O)CC1 ZINC000069515919 406726869 /nfs/dbraw/zinc/72/68/69/406726869.db2.gz TZYDLJVZGYHUFS-NSHDSACASA-N 0 0 311.813 1.340 50 0 DDAARN Cc1cnn([C@H](C)[C@@H](C)NCc2nnnn2-c2ccccc2)c1 ZINC000069528876 406729618 /nfs/dbraw/zinc/72/96/18/406729618.db2.gz LGJWNSZTHUDSLJ-ZIAGYGMSSA-N 0 0 311.393 1.907 50 0 DDAARN CC(C)(C)C(=O)NCCSc1nnnn1-c1ccccc1 ZINC000005000649 406730014 /nfs/dbraw/zinc/73/00/14/406730014.db2.gz KMXXBEQJAYRPFY-UHFFFAOYSA-N 0 0 305.407 1.917 50 0 DDAARN C[C@@H]1CN(C(=O)COC(=O)c2c(F)cccc2F)C[C@@H](C)O1 ZINC000007981881 406771061 /nfs/dbraw/zinc/77/10/61/406771061.db2.gz LJHICTWQWGIKGX-NXEZZACHSA-N 0 0 313.300 1.757 50 0 DDAARN Cc1ccccc1CNC(=O)c1cccc(S(N)(=O)=O)c1 ZINC000008269397 406784076 /nfs/dbraw/zinc/78/40/76/406784076.db2.gz FTLWCSPXGTXIOJ-UHFFFAOYSA-N 0 0 304.371 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/nfs/dbraw/zinc/09/88/02/181098802.db2.gz PXTRYOFUBFAZBH-UHFFFAOYSA-N 0 0 311.128 1.881 50 0 DDAARN Cc1ccc(C)c(NC(=O)CSc2nnc(C)c(=O)n2N)c1 ZINC000004337904 181100123 /nfs/dbraw/zinc/10/01/23/181100123.db2.gz YNWFTGVECHOZNY-UHFFFAOYSA-N 0 0 319.390 1.008 50 0 DDAARN O=C(NCc1ccccn1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004414143 181108218 /nfs/dbraw/zinc/10/82/18/181108218.db2.gz DCVJXNPORARXSE-LBPRGKRZSA-N 0 0 313.332 1.890 50 0 DDAARN C=CC(=O)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC(=O)C=C ZINC000004528821 181120088 /nfs/dbraw/zinc/12/00/88/181120088.db2.gz LJRSZGKUUZPHEB-FRRDWIJNSA-N 0 0 300.351 1.644 50 0 DDAARN C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CNC(=O)c1ccon1 ZINC000252487562 354383396 /nfs/dbraw/zinc/38/33/96/354383396.db2.gz HXQUULOCAQMVJO-MFKMUULPSA-N 0 0 318.333 1.333 50 0 DDAARN CCN(CC)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000004479520 181112719 /nfs/dbraw/zinc/11/27/19/181112719.db2.gz JYHBCDATQJNURB-GFCCVEGCSA-N 0 0 305.378 1.852 50 0 DDAARN CS(=O)(=O)NCCc1csc2nc(-c3ccccc3)nn12 ZINC000004479864 181113027 /nfs/dbraw/zinc/11/30/27/181113027.db2.gz OHMPDZCFFASCEP-UHFFFAOYSA-N 0 0 322.415 1.550 50 0 DDAARN C[C@@H]1CN(C(=O)CO[C@H]2CCC[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC000257366247 354389241 /nfs/dbraw/zinc/38/92/41/354389241.db2.gz PCRDHRXASOIXMU-WCXIOVBPSA-N 0 0 324.465 1.761 50 0 DDAARN CSc1nnc(C)c(=O)n1COC(=O)/C=C/c1ccccc1 ZINC000004495804 181115134 /nfs/dbraw/zinc/11/51/34/181115134.db2.gz GBGBVLLXTKIFDQ-CMDGGOBGSA-N 0 0 317.370 1.883 50 0 DDAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccco1)C2=O ZINC000004515398 181118376 /nfs/dbraw/zinc/11/83/76/181118376.db2.gz CQUPETQNKGUTJF-BDJLRTHQSA-N 0 0 319.361 1.397 50 0 DDAARN C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(C(N)=O)CC1 ZINC000004718022 181141865 /nfs/dbraw/zinc/14/18/65/181141865.db2.gz CRWMQIPNGJYHCS-LBPRGKRZSA-N 0 0 301.390 1.162 50 0 DDAARN CC[C@H](Oc1cccc(Cl)c1)C(=O)NN1CCN(C)CC1 ZINC000004749994 181147505 /nfs/dbraw/zinc/14/75/05/181147505.db2.gz KLHCRUNWZLEXSX-AWEZNQCLSA-N 0 0 311.813 1.776 50 0 DDAARN CC(=O)N1CCC(C(=O)N2CC(OCC(F)(F)F)C2)CC1 ZINC000390831777 354641854 /nfs/dbraw/zinc/64/18/54/354641854.db2.gz UWBFFKNJTVNBBF-UHFFFAOYSA-N 0 0 308.300 1.035 50 0 DDAARN CCc1nc(CCNC(=O)N(Cc2cnn(C)c2)C2CC2)no1 ZINC000584888287 354791449 /nfs/dbraw/zinc/79/14/49/354791449.db2.gz RFEXGFYRMGPVLA-UHFFFAOYSA-N 0 0 318.381 1.282 50 0 DDAARN CCCn1nccc1C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000584889113 354791659 /nfs/dbraw/zinc/79/16/59/354791659.db2.gz XYWYMYZPFNFTKX-UHFFFAOYSA-N 0 0 313.405 1.646 50 0 DDAARN CN1CCN(C)[C@H](Cn2cnc3c(Cl)cccc3c2=O)C1 ZINC000584885329 354788220 /nfs/dbraw/zinc/78/82/20/354788220.db2.gz APEQNVIKTAGBGL-NSHDSACASA-N 0 0 306.797 1.296 50 0 DDAARN Cc1cccc([C@@H](NC(=O)Cn2nc(C)ccc2=O)C2CC2)n1 ZINC000584886368 354789829 /nfs/dbraw/zinc/78/98/29/354789829.db2.gz TYZWUKFCBODYCM-KRWDZBQOSA-N 0 0 312.373 1.523 50 0 DDAARN CC(C)n1cnnc1CCNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC000584899838 354798798 /nfs/dbraw/zinc/79/87/98/354798798.db2.gz LNFQZOHEIDZUCG-NSHDSACASA-N 0 0 316.409 1.679 50 0 DDAARN CCN(CC)c1ccc(NC(=O)CC[C@H]2NC(=O)NC2=O)cc1 ZINC000585139792 354813901 /nfs/dbraw/zinc/81/39/01/354813901.db2.gz SNCNAOYLGBMDFG-CYBMUJFWSA-N 0 0 318.377 1.460 50 0 DDAARN Cc1ccc2[nH]c(C(=O)N[C@H](CO)c3cncn3C)cc2c1C ZINC000585140520 354813927 /nfs/dbraw/zinc/81/39/27/354813927.db2.gz GRWDEYOWWNFJKI-OAHLLOKOSA-N 0 0 312.373 1.982 50 0 DDAARN Cn1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)nn1 ZINC000585148042 354816175 /nfs/dbraw/zinc/81/61/75/354816175.db2.gz MRNKDONJFSMXPW-CQSZACIVSA-N 0 0 312.329 1.539 50 0 DDAARN COC(=O)N1CCCC[C@H]1C(=O)NCc1cc(C2CC2)n[nH]1 ZINC000584894940 354796444 /nfs/dbraw/zinc/79/64/44/354796444.db2.gz IFQVKTVNZBBRCL-ZDUSSCGKSA-N 0 0 306.366 1.524 50 0 DDAARN COC(=O)c1ccccc1NC(=O)C(=O)NCc1cccs1 ZINC000004838933 181160060 /nfs/dbraw/zinc/16/00/60/181160060.db2.gz WFRINLUFSLYAQX-UHFFFAOYSA-N 0 0 318.354 1.790 50 0 DDAARN CN(C)c1nc(Nc2ccccc2)nc(SCC(N)=O)n1 ZINC000004840735 181160541 /nfs/dbraw/zinc/16/05/41/181160541.db2.gz WSOKBHVBLOCEOI-UHFFFAOYSA-N 0 0 304.379 1.259 50 0 DDAARN Cc1cc(C)nc(SCC(=O)NC(=O)c2ccccc2O)n1 ZINC000004834331 181159445 /nfs/dbraw/zinc/15/94/45/181159445.db2.gz WGKMMFOYQMUVCA-UHFFFAOYSA-N 0 0 317.370 1.848 50 0 DDAARN O=C(NCc1ccccn1)C(=O)Nc1nc2ccccc2s1 ZINC000004853871 181163096 /nfs/dbraw/zinc/16/30/96/181163096.db2.gz BOCLZVBYRIJSEG-UHFFFAOYSA-N 0 0 312.354 1.946 50 0 DDAARN COc1cc(NC(=S)N2CCOCC2)cc(OC)c1OC ZINC000004865757 181165060 /nfs/dbraw/zinc/16/50/60/181165060.db2.gz RDGFBLULFPLUJM-UHFFFAOYSA-N 0 0 312.391 1.741 50 0 DDAARN COCCCNC(=O)c1cc2c(c3ccccc3[nH]c2=O)n1C ZINC000004930632 181174320 /nfs/dbraw/zinc/17/43/20/181174320.db2.gz AHYAGBDSTCYTQX-UHFFFAOYSA-N 0 0 313.357 1.786 50 0 DDAARN O=C(CSc1cn[nH]n1)Nc1ccc(Br)cn1 ZINC000004945293 181177869 /nfs/dbraw/zinc/17/78/69/181177869.db2.gz LISQKOIEJCCZBE-UHFFFAOYSA-N 0 0 314.168 1.693 50 0 DDAARN COc1ccc(C(=O)NC(=S)N2CCOCC2)cc1OC ZINC000004981191 181183942 /nfs/dbraw/zinc/18/39/42/181183942.db2.gz BMXFXWLYVVUBJJ-UHFFFAOYSA-N 0 0 310.375 1.051 50 0 DDAARN COc1ccc(C)cc1S(=O)(=O)NCc1csc(N)n1 ZINC000074801433 191362743 /nfs/dbraw/zinc/36/27/43/191362743.db2.gz FFHUQBZBNRUFEB-UHFFFAOYSA-N 0 0 313.404 1.521 50 0 DDAARN Cc1cc(CN(C)C(=O)NCc2c(C)cc(C)[nH]c2=O)no1 ZINC000075117933 191420692 /nfs/dbraw/zinc/42/06/92/191420692.db2.gz RJIQQPNGHXNBHL-UHFFFAOYSA-N 0 0 304.350 1.630 50 0 DDAARN Cc1cc(C)c(CNC(=O)[C@H](C)OC[C@@H]2CCCO2)c(=O)[nH]1 ZINC000075124311 191424291 /nfs/dbraw/zinc/42/42/91/191424291.db2.gz ZNLIETXECLSPMM-STQMWFEESA-N 0 0 308.378 1.192 50 0 DDAARN CSC[C@@](C)(O)CNC(=O)C1(c2ccccc2)CCOCC1 ZINC000075157268 191434619 /nfs/dbraw/zinc/43/46/19/191434619.db2.gz QLZYFAJSVUHNKO-INIZCTEOSA-N 0 0 323.458 1.965 50 0 DDAARN Cc1nc(C)n([C@H](C)CNS(=O)(=O)c2ccc(C)cc2)n1 ZINC000004988310 181186062 /nfs/dbraw/zinc/18/60/62/181186062.db2.gz AAQFADRWGLRXJK-LLVKDONJSA-N 0 0 308.407 1.743 50 0 DDAARN CCCNC(=O)[C@@H]1CC(c2cc(OC)c(OC)c(OC)c2)=NO1 ZINC000005031070 181193583 /nfs/dbraw/zinc/19/35/83/181193583.db2.gz QWGHGNBHBDTEDT-AWEZNQCLSA-N 0 0 322.361 1.732 50 0 DDAARN CCN(CC)C(=O)c1nc(CNC(=O)c2cc(C)n[nH]2)oc1C ZINC000075877585 191529349 /nfs/dbraw/zinc/52/93/49/191529349.db2.gz MYUOUTOTJBUVKM-UHFFFAOYSA-N 0 0 319.365 1.427 50 0 DDAARN CC[C@@H](C)NC(=O)CSc1nnnn1-c1ccc(O)cc1 ZINC000005053496 181198025 /nfs/dbraw/zinc/19/80/25/181198025.db2.gz UCAKDQHSTCKPDA-SECBINFHSA-N 0 0 307.379 1.375 50 0 DDAARN CCOC(=O)c1coc(N2CCC(C(=O)N3CCCC3)CC2)n1 ZINC000077298729 191688241 /nfs/dbraw/zinc/68/82/41/191688241.db2.gz NCYYWAYZZNBAHM-UHFFFAOYSA-N 0 0 321.377 1.690 50 0 DDAARN Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)c1C ZINC000077939545 191799014 /nfs/dbraw/zinc/79/90/14/191799014.db2.gz PYNSGKOJNDVRMC-HIFRSBDPSA-N 0 0 304.390 1.909 50 0 DDAARN Cc1cc([C@](C)(O)CNc2ccc3nnc(C)n3n2)c(C)o1 ZINC000078308347 191845200 /nfs/dbraw/zinc/84/52/00/191845200.db2.gz OYKXONNGGNGGTK-OAHLLOKOSA-N 0 0 301.350 1.962 50 0 DDAARN CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCC(C)C)cc21 ZINC000005252483 181222364 /nfs/dbraw/zinc/22/23/64/181222364.db2.gz WVPNLRCUGJXGHY-UHFFFAOYSA-N 0 0 317.389 1.696 50 0 DDAARN Cn1c2ccccc2nc1-n1ncc(NCCO)c(Cl)c1=O ZINC000005452444 181244536 /nfs/dbraw/zinc/24/45/36/181244536.db2.gz HEEQBMBMJIZERB-UHFFFAOYSA-N 0 0 319.752 1.177 50 0 DDAARN CC[C@H](CO)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000080190819 192010590 /nfs/dbraw/zinc/01/05/90/192010590.db2.gz PTGPGDGZKVLCEQ-CHWSQXEVSA-N 0 0 311.813 1.989 50 0 DDAARN CSC[C@H]1CCN(S(=O)(=O)c2c[nH]c(C(C)C)n2)C1 ZINC000080773402 192189569 /nfs/dbraw/zinc/18/95/69/192189569.db2.gz DDZLYJRSEJYPMG-JTQLQIEISA-N 0 0 303.453 1.907 50 0 DDAARN Cn1cc([C@@](C)(O)CNC(=O)c2cc(F)c(F)c(F)c2)cn1 ZINC000080893254 192199141 /nfs/dbraw/zinc/19/91/41/192199141.db2.gz HGQUHSFSDFCQCN-AWEZNQCLSA-N 0 0 313.279 1.475 50 0 DDAARN CC(=O)c1ccc(-n2cc(C(=O)[C@H](C)n3cncn3)nn2)cc1 ZINC000005662416 181268885 /nfs/dbraw/zinc/26/88/85/181268885.db2.gz WNQGADGCHYPTQW-JTQLQIEISA-N 0 0 310.317 1.505 50 0 DDAARN C[C@H](NC(=O)Cn1ccnc1S(C)(=O)=O)c1ccccc1 ZINC000081272612 192242891 /nfs/dbraw/zinc/24/28/91/192242891.db2.gz BJQVPDMCMGCESH-NSHDSACASA-N 0 0 307.375 1.164 50 0 DDAARN COc1ccc2[nH]c(SCC(=O)N3CCOCC3)nc2c1 ZINC000005728366 181277813 /nfs/dbraw/zinc/27/78/13/181277813.db2.gz WOZVANWFDNOGEN-UHFFFAOYSA-N 0 0 307.375 1.522 50 0 DDAARN COCCCNC(=O)CSc1nnc(-c2ccco2)n1C ZINC000005862800 181291045 /nfs/dbraw/zinc/29/10/45/181291045.db2.gz JUXZBCUZAAJQGE-UHFFFAOYSA-N 0 0 310.379 1.320 50 0 DDAARN C[C@H]1CCCCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000005864182 181291271 /nfs/dbraw/zinc/29/12/71/181291271.db2.gz HBYDGYKBIHPSIP-NSHDSACASA-N 0 0 311.407 1.147 50 0 DDAARN C[C@H](NC(=O)CN1C(=O)CCC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000005870743 181291647 /nfs/dbraw/zinc/29/16/47/181291647.db2.gz ZIJRDEASWZCVIX-IWERZKIRSA-N 0 0 318.417 1.857 50 0 DDAARN O=C(Nc1nccs1)NC1CCN(c2ncccn2)CC1 ZINC000043160076 295978393 /nfs/dbraw/zinc/97/83/93/295978393.db2.gz UPTQBIPMKZWLJM-UHFFFAOYSA-N 0 0 304.379 1.724 50 0 DDAARN CC(=O)c1ccc(O[C@H](C)C(=O)NCCCn2cncn2)cc1 ZINC000089478664 192798771 /nfs/dbraw/zinc/79/87/71/192798771.db2.gz OIMDINVNUXYSJB-CYBMUJFWSA-N 0 0 316.361 1.455 50 0 DDAARN COc1ccccc1-c1csc(NC(=O)[C@H]2CNC(=O)N2)n1 ZINC000089481883 192800720 /nfs/dbraw/zinc/80/07/20/192800720.db2.gz CQJNLYSKYGVRIE-SECBINFHSA-N 0 0 318.358 1.439 50 0 DDAARN CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1C ZINC000024686182 283439954 /nfs/dbraw/zinc/43/99/54/283439954.db2.gz DUDDQXHLNWPVTD-GFCCVEGCSA-N 0 0 314.382 1.423 50 0 DDAARN O=C1CNC(=O)N1CCCNc1ccc(Br)cn1 ZINC000089794188 192871355 /nfs/dbraw/zinc/87/13/55/192871355.db2.gz CDVGLTIIONOTBX-UHFFFAOYSA-N 0 0 313.155 1.198 50 0 DDAARN CC[C@@]1(C)CN(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)CCO1 ZINC000188099688 200193815 /nfs/dbraw/zinc/19/38/15/200193815.db2.gz YACXDTYGTQEOIF-HOCLYGCPSA-N 0 0 323.441 1.233 50 0 DDAARN O=C(NCCN1CCc2c(Cl)cccc2C1)[C@@H]1CCCO1 ZINC000188893435 200317541 /nfs/dbraw/zinc/31/75/41/200317541.db2.gz AREGVOOQEYCNLK-HNNXBMFYSA-N 0 0 308.809 1.993 50 0 DDAARN NC(=O)[C@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2OCC2CC2)O1 ZINC000189099355 200348033 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COc1cccc(-c2nc3c([nH]2)CN(CCOCCO)CC3)c1 ZINC000096133006 407239774 /nfs/dbraw/zinc/23/97/74/407239774.db2.gz QBSBMOHOWIJYRR-UHFFFAOYSA-N 0 0 317.389 1.452 50 0 DDAARN CNC(=O)N1CC[C@H](c2nc3ccncc3n2CCOC)C1 ZINC000096125427 407239966 /nfs/dbraw/zinc/23/99/66/407239966.db2.gz CMZFWIAEWREJHC-NSHDSACASA-N 0 0 303.366 1.206 50 0 DDAARN C[C@]1(O)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000096133212 407239974 /nfs/dbraw/zinc/23/99/74/407239974.db2.gz PGQJZDIQULBGGT-JSGCOSHPSA-N 0 0 318.200 1.880 50 0 DDAARN CC(C)NC(=O)c1nc2c(cnn2C)c(N2CCSCC2)n1 ZINC000065257189 407241058 /nfs/dbraw/zinc/24/10/58/407241058.db2.gz UJTQIANDIDBIDT-UHFFFAOYSA-N 0 0 320.422 1.055 50 0 DDAARN Cc1cc(F)ccc1NC(=O)Cn1c(N)nc(C)c(C)c1=O ZINC000065310877 407242057 /nfs/dbraw/zinc/24/20/57/407242057.db2.gz BOMKAYHJYDPKAO-UHFFFAOYSA-N 0 0 304.325 1.529 50 0 DDAARN CC(C)NC(=O)Cn1ncc2c1ncnc2N1CCCCC1 ZINC000065295031 407242253 /nfs/dbraw/zinc/24/22/53/407242253.db2.gz CWLPOWCTMVIAJH-UHFFFAOYSA-N 0 0 302.382 1.341 50 0 DDAARN O=C(c1cnccn1)N1CCC(Nc2cccn3ncnc23)CC1 ZINC000065284218 407242348 /nfs/dbraw/zinc/24/23/48/407242348.db2.gz KHKULPGGHPTBIF-UHFFFAOYSA-N 0 0 323.360 1.236 50 0 DDAARN CC(C)C(=O)NC1CCN(c2ncnc3c2cnn3C)CC1 ZINC000065410847 407243023 /nfs/dbraw/zinc/24/30/23/407243023.db2.gz SSPLOWOBCCRKNJ-UHFFFAOYSA-N 0 0 302.382 1.104 50 0 DDAARN Cc1cccc(N2C[C@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2=O)c1 ZINC000103101118 407331032 /nfs/dbraw/zinc/33/10/32/407331032.db2.gz WEXAOCLFQCZRNQ-SOUVJXGZSA-N 0 0 316.401 1.984 50 0 DDAARN Cc1ccc(F)cc1C(=O)N1CCN(c2nccn2C)CC1 ZINC000096418479 407263558 /nfs/dbraw/zinc/26/35/58/407263558.db2.gz KGPIPKZJOWEVIQ-UHFFFAOYSA-N 0 0 302.353 1.830 50 0 DDAARN COc1ccccc1C[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000066936352 407263804 /nfs/dbraw/zinc/26/38/04/407263804.db2.gz IDLDOTKPJZGPMS-ZDUSSCGKSA-N 0 0 312.435 1.756 50 0 DDAARN CCc1ccc([C@H](COC)NC(=O)c2ccc(=O)n(C)n2)o1 ZINC000096423286 407264119 /nfs/dbraw/zinc/26/41/19/407264119.db2.gz QPCDACNYXLLNFP-LBPRGKRZSA-N 0 0 305.334 1.053 50 0 DDAARN CN(C)c1ccc(NC(=O)NC[C@@](C)(O)c2ccco2)cn1 ZINC000096434026 407265570 /nfs/dbraw/zinc/26/55/70/407265570.db2.gz XEKDUJZNVWPTKH-OAHLLOKOSA-N 0 0 304.350 1.770 50 0 DDAARN CC[C@@H](C(=O)NCC[S@](=O)c1ccccc1)N1CCCC1=O ZINC000096436473 407265924 /nfs/dbraw/zinc/26/59/24/407265924.db2.gz JQQHWOWMFCHJHF-RCDICMHDSA-N 0 0 322.430 1.311 50 0 DDAARN CC(C)(C)OC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000067124923 407268085 /nfs/dbraw/zinc/26/80/85/407268085.db2.gz NXFPDUCWJKZUJY-UHFFFAOYSA-N 0 0 308.334 1.921 50 0 DDAARN O=C(NC[C@@H](CO)Cc1ccccn1)[C@H]1COc2ccccc21 ZINC000096454747 407268990 /nfs/dbraw/zinc/26/89/90/407268990.db2.gz PBTPHKWUOKONNL-BBRMVZONSA-N 0 0 312.369 1.525 50 0 DDAARN Cc1cnc(C(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)cn1 ZINC000096454840 407269007 /nfs/dbraw/zinc/26/90/07/407269007.db2.gz KXCVKENJFWBOLY-OAHLLOKOSA-N 0 0 318.764 1.569 50 0 DDAARN C[C@H]1CCN(C)c2ccccc2N1CCN1C(=O)CNC1=O ZINC000096467079 407270033 /nfs/dbraw/zinc/27/00/33/407270033.db2.gz AUXZNUYDJLPIFN-LBPRGKRZSA-N 0 0 302.378 1.273 50 0 DDAARN CS(=O)(=O)Cc1ccc(NC(=O)N2CCCC2)cc1F ZINC000096467906 407270055 /nfs/dbraw/zinc/27/00/55/407270055.db2.gz FKIGPDZHHJCWPY-UHFFFAOYSA-N 0 0 300.355 1.998 50 0 DDAARN C[C@H](C(=O)Nc1cc(-c2nccn2C)[nH]n1)N1CCSCC1 ZINC000096487012 407271503 /nfs/dbraw/zinc/27/15/03/407271503.db2.gz MSIQFKVRFVWUFM-SNVBAGLBSA-N 0 0 320.422 1.186 50 0 DDAARN Cc1n[nH]c(C)c1CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000096484058 407271625 /nfs/dbraw/zinc/27/16/25/407271625.db2.gz YRUKHSXXKWLSDG-YUTCNCBUSA-N 0 0 304.394 1.783 50 0 DDAARN CCc1nnc(S[C@@H](Cc2ccccc2)C(=O)NC)n1C ZINC000096501842 407273014 /nfs/dbraw/zinc/27/30/14/407273014.db2.gz LMBMPIGDXGQREM-LBPRGKRZSA-N 0 0 304.419 1.827 50 0 DDAARN COC(=O)/C(=C\N(C)C)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000096511647 407273987 /nfs/dbraw/zinc/27/39/87/407273987.db2.gz HVZILTLANMFTBK-YRNVUSSQSA-N 0 0 321.757 1.829 50 0 DDAARN Cc1n[nH]c(C)c1CCNc1nccc(N2CCC(O)CC2)n1 ZINC000067490380 407274731 /nfs/dbraw/zinc/27/47/31/407274731.db2.gz GLIRFTPVGSJDDK-UHFFFAOYSA-N 0 0 316.409 1.432 50 0 DDAARN CCNS(=O)(=O)[C@H]1CCN(Cc2cc(F)c(F)cc2F)C1 ZINC000097051833 407277061 /nfs/dbraw/zinc/27/70/61/407277061.db2.gz QUFGGRQIDZKQAD-JTQLQIEISA-N 0 0 322.352 1.618 50 0 DDAARN O=C(Cn1cc(-c2ccccc2)nn1)N[C@@H](CO)c1ccccc1 ZINC000097047520 407277092 /nfs/dbraw/zinc/27/70/92/407277092.db2.gz PPDXPQOQCLBCQS-KRWDZBQOSA-N 0 0 322.368 1.795 50 0 DDAARN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)COc1ccccc1 ZINC000067620137 407277788 /nfs/dbraw/zinc/27/77/88/407277788.db2.gz NYGCTYBPCLVHRO-HNNXBMFYSA-N 0 0 304.390 1.925 50 0 DDAARN Cc1nn(C)cc1C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC000097080805 407278964 /nfs/dbraw/zinc/27/89/64/407278964.db2.gz NDMSMGCTMFKNFJ-UHFFFAOYSA-N 0 0 314.324 1.829 50 0 DDAARN CN(CCC(N)=O)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 ZINC000067674823 407279255 /nfs/dbraw/zinc/27/92/55/407279255.db2.gz SFLNCIUUQYOIJU-UHFFFAOYSA-N 0 0 320.324 1.075 50 0 DDAARN CN(C)c1nccc(CN(C)[C@H](C(N)=O)c2cccc(F)c2)n1 ZINC000097084352 407279499 /nfs/dbraw/zinc/27/94/99/407279499.db2.gz HVRHVYMNVFPOSW-AWEZNQCLSA-N 0 0 317.368 1.340 50 0 DDAARN Cc1cn(-c2ccccc2Cl)nc1C(=O)NC(C)(CO)CO ZINC000097098078 407279728 /nfs/dbraw/zinc/27/97/28/407279728.db2.gz XAHKISHJVBXPPX-UHFFFAOYSA-N 0 0 323.780 1.307 50 0 DDAARN Cn1nnc2ccc(C(=O)N3CCc4ccccc4[C@H]3CO)cc21 ZINC000097097706 407279864 /nfs/dbraw/zinc/27/98/64/407279864.db2.gz CNNPGZJQNJZSBA-QGZVFWFLSA-N 0 0 322.368 1.700 50 0 DDAARN CCc1noc(CN(C)C(=O)c2ccccc2-n2ccnn2)n1 ZINC000097107283 407280433 /nfs/dbraw/zinc/28/04/33/407280433.db2.gz QNWGRIUSMSBGHN-UHFFFAOYSA-N 0 0 312.333 1.485 50 0 DDAARN O=C(CN1CCOC1=O)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000067713659 407281203 /nfs/dbraw/zinc/28/12/03/407281203.db2.gz YCXTWWQSKZABCR-UHFFFAOYSA-N 0 0 318.308 1.080 50 0 DDAARN CC(C)c1csc(CN2CCN(CCn3cncn3)CC2)n1 ZINC000097137822 407282006 /nfs/dbraw/zinc/28/20/06/407282006.db2.gz HFKUCBSSUBKDMX-UHFFFAOYSA-N 0 0 320.466 1.676 50 0 DDAARN Cc1ccccc1-c1ncc(CN2CCC(O)(CO)CC2)cn1 ZINC000067742444 407282484 /nfs/dbraw/zinc/28/24/84/407282484.db2.gz RQYGQCNECFKIHF-UHFFFAOYSA-N 0 0 313.401 1.771 50 0 DDAARN NC(=O)CCCCNS(=O)(=O)c1c(F)cccc1Cl ZINC000097147241 407282905 /nfs/dbraw/zinc/28/29/05/407282905.db2.gz XIJANEYETCIRMP-UHFFFAOYSA-N 0 0 308.762 1.413 50 0 DDAARN CN(Cc1nncn1-c1cccc(Cl)c1)S(C)(=O)=O ZINC000067773493 407284112 /nfs/dbraw/zinc/28/41/12/407284112.db2.gz QNUGRXBLTCZKGD-UHFFFAOYSA-N 0 0 300.771 1.312 50 0 DDAARN CC(C)(NC(=O)c1coc(COc2cccc(F)c2)n1)C(N)=O ZINC000067786743 407284144 /nfs/dbraw/zinc/28/41/44/407284144.db2.gz QEGWVWULUFCCJI-UHFFFAOYSA-N 0 0 321.308 1.386 50 0 DDAARN CN1CCN(C(=O)c2cc(=O)c(O)co2)C[C@H]1c1ccccc1 ZINC000067787072 407284625 /nfs/dbraw/zinc/28/46/25/407284625.db2.gz FDXVZSLLLLQPSX-ZDUSSCGKSA-N 0 0 314.341 1.474 50 0 DDAARN NC(=O)c1cccc(CN2CCO[C@H](c3nccs3)C2)c1 ZINC000097199893 407286344 /nfs/dbraw/zinc/28/63/44/407286344.db2.gz JGSPWDKMRXJSCR-ZDUSSCGKSA-N 0 0 303.387 1.816 50 0 DDAARN Cc1ccc(C(N)=O)c(N2Cc3cnc(CC(C)C)nc3C2)n1 ZINC000067851559 407287418 /nfs/dbraw/zinc/28/74/18/407287418.db2.gz OWUAJURAYJNOPB-UHFFFAOYSA-N 0 0 311.389 1.998 50 0 DDAARN C[C@H](CO)NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000097204292 407287520 /nfs/dbraw/zinc/28/75/20/407287520.db2.gz PARUENXAOANPHM-LLVKDONJSA-N 0 0 306.362 1.227 50 0 DDAARN O=C(CN1CCOCC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000067920654 407290388 /nfs/dbraw/zinc/29/03/88/407290388.db2.gz PBMXYRPDFVBAEC-HNNXBMFYSA-N 0 0 324.808 1.572 50 0 DDAARN O=C(c1ccc[nH]1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067935395 407290854 /nfs/dbraw/zinc/29/08/54/407290854.db2.gz LDYROIWDHRGXTA-GXTWGEPZSA-N 0 0 314.341 1.734 50 0 DDAARN O=C(NCCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCCOC1 ZINC000097379406 407292734 /nfs/dbraw/zinc/29/27/34/407292734.db2.gz IXUARMODCVJSJW-CYBMUJFWSA-N 0 0 300.362 1.557 50 0 DDAARN COc1cccc([C@@H]2CCN2C(=O)c2ccn3nnnc3c2)c1 ZINC000097568902 407299660 /nfs/dbraw/zinc/29/96/60/407299660.db2.gz JEWVZYYFNUFKKB-AWEZNQCLSA-N 0 0 309.329 1.720 50 0 DDAARN CCc1nnc(CN(C(=O)Cc2c(C)n[nH]c2C)C(C)C)o1 ZINC000097698938 407301581 /nfs/dbraw/zinc/30/15/81/407301581.db2.gz CCVYRJKYZQBUON-UHFFFAOYSA-N 0 0 305.382 1.952 50 0 DDAARN CCN(C)Cc1nc(C2CCOCC2)nn1C[C@@H]1COCCO1 ZINC000097694809 407301717 /nfs/dbraw/zinc/30/17/17/407301717.db2.gz JGUPAYLUJCOJSQ-CQSZACIVSA-N 0 0 324.425 1.039 50 0 DDAARN CCS(=O)(=O)CCNC(=O)c1ccc(-c2cc[nH]n2)cc1 ZINC000097772994 407302170 /nfs/dbraw/zinc/30/21/70/407302170.db2.gz LJUFEMILEQMZMD-UHFFFAOYSA-N 0 0 307.375 1.241 50 0 DDAARN COC(=O)COc1c(C=O)cc(Br)cc1OC ZINC000098063825 407305081 /nfs/dbraw/zinc/30/50/81/407305081.db2.gz NPFBLVVDQUNHCX-UHFFFAOYSA-N 0 0 303.108 1.822 50 0 DDAARN CCCCN1C(=O)c2ccc(C(=O)NC[C@H](C)O)cc2C1=O ZINC000098075866 407305602 /nfs/dbraw/zinc/30/56/02/407305602.db2.gz NRUIQUDDGDXLOX-JTQLQIEISA-N 0 0 304.346 1.193 50 0 DDAARN Cn1nccc1NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000122810215 407310985 /nfs/dbraw/zinc/31/09/85/407310985.db2.gz AZWXSSWNYGADEL-AWEZNQCLSA-N 0 0 312.373 1.592 50 0 DDAARN C[C@@H]1CCC[C@H](NC(=O)Cn2ncn3cccc3c2=O)[C@H]1C ZINC000103709361 407343262 /nfs/dbraw/zinc/34/32/62/407343262.db2.gz MAFJPOLKPJMVKY-AGIUHOORSA-N 0 0 302.378 1.437 50 0 DDAARN CN(C(=O)/C=C\c1cn(C)c2ccccc12)[C@H]1CCN(C)C1=O ZINC000104210525 407349692 /nfs/dbraw/zinc/34/96/92/407349692.db2.gz CMVOSTZIMOVQMK-QWGSZXSUSA-N 0 0 311.385 1.881 50 0 DDAARN COC[C@@H](O)CN(C)C(=O)c1cc(C)cc(Br)c1 ZINC000124403585 407357972 /nfs/dbraw/zinc/35/79/72/407357972.db2.gz MEKJXYWRRKQISS-LBPRGKRZSA-N 0 0 316.195 1.837 50 0 DDAARN CC[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@@H]1N1CCOCC1 ZINC000107323338 407372756 /nfs/dbraw/zinc/37/27/56/407372756.db2.gz WJPHOTZCYHLDCQ-MCIONIFRSA-N 0 0 300.468 1.555 50 0 DDAARN COC[C@H](C)NC(=O)NC(=O)Cn1cnc2cc(C)c(C)cc21 ZINC000178478819 407467084 /nfs/dbraw/zinc/46/70/84/407467084.db2.gz CFVHQALGLPJHQY-LBPRGKRZSA-N 0 0 318.377 1.514 50 0 DDAARN Cc1ncc(CO)c(CN=Nc2nncc3ccccc32)c1O ZINC000254734356 407467421 /nfs/dbraw/zinc/46/74/21/407467421.db2.gz CPPSCNDSPRUBFP-UHFFFAOYSA-N 0 0 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Cc1ccc2c(c1)[C@](O)([C@H]1COC(C)(C)CC1=O)C(=O)N2C ZINC000000102369 301912680 /nfs/dbraw/zinc/91/26/80/301912680.db2.gz GJFGOBJQPAQOSR-SJCJKPOMSA-N 0 0 303.358 1.543 50 0 biogenic DDAARN Cc1[nH]nc2c1[C@]1(c3ccccc3-c3oc(N)nc31)C(=O)N2C ZINC000020343510 302532536 /nfs/dbraw/zinc/53/25/36/302532536.db2.gz UUAHCPLSAVLDEX-INIZCTEOSA-N 0 0 307.313 1.580 50 0 DDAARN C[C@]1(CCCO)CCCN1C(=O)NCCC1(O)CCOCC1 ZINC000357483438 306888350 /nfs/dbraw/zinc/88/83/50/306888350.db2.gz UWXGBTIQUSHWIT-OAHLLOKOSA-N 0 0 314.426 1.255 50 0 DDAARN NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)C1CCCC1 ZINC000071832193 303341119 /nfs/dbraw/zinc/34/11/19/303341119.db2.gz QXOVQCVSJUCFOP-LBPRGKRZSA-N 0 0 303.362 1.158 50 0 DDAARN O=C(NCc1nnc2ccccn21)[C@H]1COc2ccccc2O1 ZINC000006851123 331499272 /nfs/dbraw/zinc/49/92/72/331499272.db2.gz NIWLRMGVJXRMEZ-CYBMUJFWSA-N 0 0 310.313 1.186 50 0 DDAARN C[C@H]1CC(=O)c2c1c(F)ccc2OCC(=O)N1CCNC1=O ZINC000014122328 331548403 /nfs/dbraw/zinc/54/84/03/331548403.db2.gz 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ZINC000170602972 484095597 /nfs/dbraw/zinc/09/55/97/484095597.db2.gz HZSYPGBVOJYVFK-UHFFFAOYSA-N 0 0 310.357 1.731 50 0 DDAARN Cc1noc2ncnc(N[C@@H]3CCN(CC(F)(F)F)C3=O)c12 ZINC000192453754 484121954 /nfs/dbraw/zinc/12/19/54/484121954.db2.gz KBDRIGFPCYQFRG-SSDOTTSWSA-N 0 0 315.255 1.501 50 0 DDAARN CN(C)c1nccc(CNC(=O)c2ccc3c(c2)OCO3)n1 ZINC000206728662 484135403 /nfs/dbraw/zinc/13/54/03/484135403.db2.gz CRYHUPNTOQAHMB-UHFFFAOYSA-N 0 0 300.318 1.201 50 0 DDAARN COc1ccc(C2(C(=O)NCCn3cncn3)CCCC2)cc1 ZINC000219502807 484148953 /nfs/dbraw/zinc/14/89/53/484148953.db2.gz MWGHODFYDHMBTR-UHFFFAOYSA-N 0 0 314.389 1.915 50 0 DDAARN Nc1nc(N)c2c(n1)NC(=O)C[C@H]2c1ccc(Cl)cc1F ZINC000670416056 484818462 /nfs/dbraw/zinc/81/84/62/484818462.db2.gz DAANVLDYBHNBHH-ZETCQYMHSA-N 0 0 307.716 1.908 50 0 DDAARN CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)N[C@@H]1CCOC1 ZINC000660946534 484822675 /nfs/dbraw/zinc/82/26/75/484822675.db2.gz RDQBUJQFDAIUGC-GZBFAFLISA-N 0 0 322.409 1.459 50 0 DDAARN Cc1cnccc1C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC000670442975 484831740 /nfs/dbraw/zinc/83/17/40/484831740.db2.gz SJDAUOJABRHMBA-UHFFFAOYSA-N 0 0 301.346 1.049 50 0 DDAARN Cn1c(CO)nnc1[C@@H]1CCCN(c2ncc(Cl)cn2)C1 ZINC000670447541 484835876 /nfs/dbraw/zinc/83/58/76/484835876.db2.gz OGAGBBXDQIGXSG-SECBINFHSA-N 0 0 308.773 1.135 50 0 DDAARN Cc1nc(C)c(CC(=O)N2CCC(c3nnc[nH]3)CC2)s1 ZINC000670451843 484838799 /nfs/dbraw/zinc/83/87/99/484838799.db2.gz FPYFFLHFIGKPFG-UHFFFAOYSA-N 0 0 305.407 1.827 50 0 DDAARN COCc1nc(CCNC(C)=O)n(Cc2cccc(C)c2)n1 ZINC000670462963 484845270 /nfs/dbraw/zinc/84/52/70/484845270.db2.gz UKWRMTTZQKBMPP-UHFFFAOYSA-N 0 0 302.378 1.460 50 0 DDAARN CC(C)=CCNC(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC000668387002 485145491 /nfs/dbraw/zinc/14/54/91/485145491.db2.gz FJVAMSFORWFUSC-CYBMUJFWSA-N 0 0 300.424 1.561 50 0 DDAARN CCc1nn(C)cc1NC(=O)NCc1c(C2CC2)cnn1C ZINC000666551155 485269183 /nfs/dbraw/zinc/26/91/83/485269183.db2.gz NZAVGMKCCJQOGC-UHFFFAOYSA-N 0 0 302.382 1.915 50 0 DDAARN COc1ccccc1-c1nn(C)cc1C(=O)NN=c1nccc[nH]1 ZINC000071920799 490579430 /nfs/dbraw/zinc/57/94/30/490579430.db2.gz GOKDKMNFFPBKSE-UHFFFAOYSA-N 0 0 324.344 1.643 50 0 DDAARN COc1ccccc1CC(C)(C)CNC(=O)[C@H]1COCCN1 ZINC000253432867 518168306 /nfs/dbraw/zinc/16/83/06/518168306.db2.gz PFCAKTGTWZGNHQ-CQSZACIVSA-N 0 0 306.406 1.369 50 0 DDAARN CCN1C[C@H](C(=O)NCCc2nc(C(C)C)no2)CCC1=O ZINC000091255689 521728222 /nfs/dbraw/zinc/72/82/22/521728222.db2.gz HDIFDPXLUZGPLA-LLVKDONJSA-N 0 0 308.382 1.110 50 0 DDAARN C=CC(=O)N(C)[C@H](C)c1ccccc1N1CCCS1(=O)=O ZINC000328599401 526914958 /nfs/dbraw/zinc/91/49/58/526914958.db2.gz ROIJEDLPDJAJPB-GFCCVEGCSA-N 0 0 308.403 1.932 50 0 DDAARN CC(C)c1nc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000330447015 528273060 /nfs/dbraw/zinc/27/30/60/528273060.db2.gz ROFWWMGZWLCWIH-JTQLQIEISA-N 0 0 316.448 1.360 50 0 DDAARN O=C(NCc1nccs1)NC[C@]1(O)CCc2ccccc21 ZINC000122607372 696723318 /nfs/dbraw/zinc/72/33/18/696723318.db2.gz KTPHDWXKSUQWAM-OAHLLOKOSA-N 0 0 303.387 1.776 50 0 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/nfs/dbraw/zinc/66/90/10/406669010.db2.gz LERMGIRJXNKINZ-UHFFFAOYSA-N 0 0 301.298 1.660 50 0 DDAARN FC(F)(F)C(F)(F)c1nnc2ccc(-n3ccnc3)nn21 ZINC000001446107 406669771 /nfs/dbraw/zinc/66/97/71/406669771.db2.gz RMHGNXAEVLEIRN-UHFFFAOYSA-N 0 0 304.182 1.964 50 0 DDAARN COC(=O)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000002883047 406704451 /nfs/dbraw/zinc/70/44/51/406704451.db2.gz SVGHNFFSCWKXDJ-UHFFFAOYSA-N 0 0 315.325 1.818 50 0 DDAARN COC(=O)[C@H](C)NC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000002108370 406680747 /nfs/dbraw/zinc/68/07/47/406680747.db2.gz ZCTRXKWAPRSFPY-JTQLQIEISA-N 0 0 310.350 1.107 50 0 biogenic DDAARN O=C(Cc1ccsc1)OCn1nnc2ccccc2c1=O ZINC000002627188 406693847 /nfs/dbraw/zinc/69/38/47/406693847.db2.gz SCTPZIWJJQGQOF-UHFFFAOYSA-N 0 0 301.327 1.596 50 0 DDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(F)c2)cc1 ZINC000002623943 406694215 /nfs/dbraw/zinc/69/42/15/406694215.db2.gz WRXSXCKOSMWBSS-UHFFFAOYSA-N 0 0 322.361 1.446 50 0 DDAARN CCc1ccc(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)cc1 ZINC000002711108 406696317 /nfs/dbraw/zinc/69/63/17/406696317.db2.gz RPOCQUTXCSLYFJ-JTQLQIEISA-N 0 0 306.387 1.678 50 0 DDAARN Cc1noc([C@@H](C)N2CCN(CCc3ccncc3)CC2)n1 ZINC000069370595 406701697 /nfs/dbraw/zinc/70/16/97/406701697.db2.gz VWGPVGOMCGOUBE-CYBMUJFWSA-N 0 0 301.394 1.694 50 0 DDAARN Cc1ccc(S(=O)(=O)CCC(=O)NC[C@H]2CCCO2)cc1 ZINC000002809679 406701707 /nfs/dbraw/zinc/70/17/07/406701707.db2.gz AOFZZHKRMDZGMS-CYBMUJFWSA-N 0 0 311.403 1.454 50 0 DDAARN Cc1cc(OCC(=O)N2CCN(C=O)CC2)cc(C)c1Cl ZINC000000318880 406639024 /nfs/dbraw/zinc/63/90/24/406639024.db2.gz PIRFEFPUJGBURK-UHFFFAOYSA-N 0 0 310.781 1.636 50 0 DDAARN CCOc1ccc(NC(=S)N2CCC(C(N)=O)CC2)cc1 ZINC000000367973 406642899 /nfs/dbraw/zinc/64/28/99/406642899.db2.gz FYNHEALHJPERMQ-UHFFFAOYSA-N 0 0 307.419 1.979 50 0 DDAARN NC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000000382546 406645566 /nfs/dbraw/zinc/64/55/66/406645566.db2.gz CIRVSYLFSQNSGP-UHFFFAOYSA-N 0 0 301.140 1.380 50 0 DDAARN CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(F)cc1 ZINC000000379789 406645792 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ZINC000069625002 406746567 /nfs/dbraw/zinc/74/65/67/406746567.db2.gz DKFBDCGQXTXUOR-LBPRGKRZSA-N 0 0 303.366 1.680 50 0 DDAARN Cc1ccccc1CS(=O)(=O)NCCCn1ccccc1=O ZINC000069778080 406772426 /nfs/dbraw/zinc/77/24/26/406772426.db2.gz MWWJZPOVHATVRG-UHFFFAOYSA-N 0 0 320.414 1.666 50 0 DDAARN c1ncn(C[C@@H]2CCCCN2Cc2cn(-c3ccccc3)nn2)n1 ZINC000069705996 406760967 /nfs/dbraw/zinc/76/09/67/406760967.db2.gz SXRBPOMMQVLMFP-KRWDZBQOSA-N 0 0 323.404 1.914 50 0 DDAARN C[C@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)NC1CC1 ZINC000007602165 406761172 /nfs/dbraw/zinc/76/11/72/406761172.db2.gz YJKWAHRNYPOEHE-HTZNOQTFSA-N 0 0 303.314 1.639 50 0 DDAARN CCC(=O)N(c1nnc(S[C@@H](C)C(N)=O)s1)C1CC1 ZINC000007673034 406762969 /nfs/dbraw/zinc/76/29/69/406762969.db2.gz ZHFYAQOEGKUVTM-LURJTMIESA-N 0 0 300.409 1.409 50 0 DDAARN CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000007688209 406763663 /nfs/dbraw/zinc/76/36/63/406763663.db2.gz WXJAEOFBHNMDFM-SNVBAGLBSA-N 0 0 312.391 1.082 50 0 DDAARN COc1ccc(-c2nnc(SC[C@H]3CNC(=O)O3)n2C)cc1 ZINC000007654758 406764402 /nfs/dbraw/zinc/76/44/02/406764402.db2.gz GFQWUKFLUGTHMO-LLVKDONJSA-N 0 0 320.374 1.691 50 0 DDAARN c1cnn(C[C@@H]2CCCN2Cc2nc(-c3cccnc3)no2)c1 ZINC000069769162 406767703 /nfs/dbraw/zinc/76/77/03/406767703.db2.gz SGURCVVQWBIZTM-AWEZNQCLSA-N 0 0 310.361 1.993 50 0 DDAARN Cc1cc(C)cc(NC(=O)COC(=O)CN2CCSC2=O)c1 ZINC000007880854 406769199 /nfs/dbraw/zinc/76/91/99/406769199.db2.gz GXBPIAGLSZCELC-UHFFFAOYSA-N 0 0 322.386 1.954 50 0 DDAARN COC(=O)CCNC(=O)c1c[nH]cc1-c1cccc(OC)c1 ZINC000069745016 406769425 /nfs/dbraw/zinc/76/94/25/406769425.db2.gz TTYYKSSVEAFGSC-UHFFFAOYSA-N 0 0 302.330 1.983 50 0 DDAARN Cc1ccc(C)n1-c1c(C(=O)N(CC(N)=O)C(C)C)cnn1C ZINC000069414350 406705909 /nfs/dbraw/zinc/70/59/09/406705909.db2.gz DTXHBWMXJODVMR-UHFFFAOYSA-N 0 0 317.393 1.164 50 0 DDAARN CC(C)OCCCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002993406 406707546 /nfs/dbraw/zinc/70/75/46/406707546.db2.gz KAPLBMHWOOQWKT-UHFFFAOYSA-N 0 0 308.334 1.285 50 0 DDAARN CCOC(CNC(=O)c1cn(C)c(=O)c2ccccc12)OCC ZINC000002927735 406708013 /nfs/dbraw/zinc/70/80/13/406708013.db2.gz NQGLXKSNZLPWIO-UHFFFAOYSA-N 0 0 318.373 1.667 50 0 DDAARN CCOc1ccc(NC(=O)C(=O)NCCCOC(C)C)cc1 ZINC000002992583 406708407 /nfs/dbraw/zinc/70/84/07/406708407.db2.gz IDLCQGYVFXQZCM-UHFFFAOYSA-N 0 0 308.378 1.955 50 0 DDAARN CS(=O)(=O)NCCSc1nc2cc(Cl)ccc2[nH]1 ZINC000069416613 406709382 /nfs/dbraw/zinc/70/93/82/406709382.db2.gz LJKYSASWUFVWEK-UHFFFAOYSA-N 0 0 305.812 1.858 50 0 DDAARN C[C@@H]1CN(Cc2ccccn2)CCN1c1ccc2nncn2n1 ZINC000069459416 406717260 /nfs/dbraw/zinc/71/72/60/406717260.db2.gz PRMQURHNFDQKSX-CYBMUJFWSA-N 0 0 309.377 1.230 50 0 DDAARN CCn1c(-c2ccccc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004314123 406722713 /nfs/dbraw/zinc/72/27/13/406722713.db2.gz CXMSFDSUAARCMU-UHFFFAOYSA-N 0 0 323.356 1.373 50 0 DDAARN CCc1nccn1[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 ZINC000069778284 406770979 /nfs/dbraw/zinc/77/09/79/406770979.db2.gz APTDEIPSSPGIGE-CQSZACIVSA-N 0 0 316.409 1.681 50 0 DDAARN CC1=C(C(N)=O)[C@H](c2ccc(C(F)(F)F)cc2)N2NC=NC2=N1 ZINC000004694689 406727157 /nfs/dbraw/zinc/72/71/57/406727157.db2.gz RXEPHGZBPBVBKB-NSHDSACASA-N 0 0 323.278 1.724 50 0 DDAARN CC(C)NC(=O)NC(=O)COC(=O)c1cc2c(s1)CCC2 ZINC000004581385 406727298 /nfs/dbraw/zinc/72/72/98/406727298.db2.gz GKLNDEJCFRXBHF-UHFFFAOYSA-N 0 0 310.375 1.628 50 0 DDAARN C[C@H]1CN(c2ncnc3[nH]ccc32)CCN1Cc1nccn1C ZINC000069528293 406728824 /nfs/dbraw/zinc/72/88/24/406728824.db2.gz LELBIBLGVYINFA-LBPRGKRZSA-N 0 0 311.393 1.402 50 0 DDAARN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1noc(C2CC2)n1 ZINC000069840909 406778393 /nfs/dbraw/zinc/77/83/93/406778393.db2.gz AMKWBPBNTSOPLQ-UONOGXRCSA-N 0 0 304.394 1.922 50 0 DDAARN CCN1CCN(C2CCN(Cc3noc(C4CC4)n3)CC2)C1=O ZINC000069840802 406778757 /nfs/dbraw/zinc/77/87/57/406778757.db2.gz BYQGATHTUWUPEO-UHFFFAOYSA-N 0 0 319.409 1.669 50 0 DDAARN CCC(=O)N1CCCN(CC[S@](=O)c2ccccc2)CC1 ZINC000069846966 406781214 /nfs/dbraw/zinc/78/12/14/406781214.db2.gz MSYBNNKJXNBEFQ-OAQYLSRUSA-N 0 0 308.447 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/nfs/dbraw/zinc/84/42/37/406844237.db2.gz PRSDFFDZQYKUOP-NEPJUHHUSA-N 0 0 301.346 1.252 50 0 DDAARN Cc1cnc(NC(=O)CCNc2ncnc3nc[nH]c32)s1 ZINC000012389232 406844268 /nfs/dbraw/zinc/84/42/68/406844268.db2.gz PSNXKVZGWBINOQ-UHFFFAOYSA-N 0 0 303.351 1.559 50 0 DDAARN Cc1nnnn1-c1cc(NC(=O)NCc2cccnc2)ccc1C ZINC000071795682 406844311 /nfs/dbraw/zinc/84/43/11/406844311.db2.gz OFRIGNDQIDOMNM-UHFFFAOYSA-N 0 0 323.360 1.996 50 0 DDAARN CC[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CCO1 ZINC000071798168 406844550 /nfs/dbraw/zinc/84/45/50/406844550.db2.gz APQRETOVAPKOQL-AWEZNQCLSA-N 0 0 315.373 1.807 50 0 DDAARN COc1ccc(CC(=O)N2CCN(c3nccn3C)CC2)cc1 ZINC000012444506 406844926 /nfs/dbraw/zinc/84/49/26/406844926.db2.gz ZDKWRLDREDFAQQ-UHFFFAOYSA-N 0 0 314.389 1.320 50 0 DDAARN CC(C)[C@@H]1C(=O)NCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000071804246 406845232 /nfs/dbraw/zinc/84/52/32/406845232.db2.gz GSVZHZZDGOIPGV-MQDFFIGUSA-N 0 0 316.357 1.412 50 0 DDAARN CCOC(=O)c1c(C)c(S(=O)(=O)N2CCCC2)c(C)n1C ZINC000035480293 406972926 /nfs/dbraw/zinc/97/29/26/406972926.db2.gz RTRNXFKMKMMAEP-UHFFFAOYSA-N 0 0 314.407 1.603 50 0 DDAARN Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccco1)N(C)C ZINC000036078861 406975419 /nfs/dbraw/zinc/97/54/19/406975419.db2.gz KEIPTYANUJHHDI-LLVKDONJSA-N 0 0 313.379 1.466 50 0 DDAARN CON(C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000036037385 406975777 /nfs/dbraw/zinc/97/57/77/406975777.db2.gz GOMYOIWMAJNUIW-CYBMUJFWSA-N 0 0 312.391 1.250 50 0 DDAARN COc1ccccc1[C@H](CNC(=O)NC1CC1)N1CCOCC1 ZINC000036075791 406975811 /nfs/dbraw/zinc/97/58/11/406975811.db2.gz BZIQOZZZADDGRC-HNNXBMFYSA-N 0 0 319.405 1.530 50 0 DDAARN CC1(C)CN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CCO1 ZINC000027642182 406912098 /nfs/dbraw/zinc/91/20/98/406912098.db2.gz LDXONHIFPBPDGV-CQSZACIVSA-N 0 0 315.377 1.094 50 0 DDAARN C[C@H](NC(=O)Cn1c2ccccc2n(C)c1=O)[C@H]1CCCO1 ZINC000027888635 406913616 /nfs/dbraw/zinc/91/36/16/406913616.db2.gz OFWSSEGEFUVJMW-SMDDNHRTSA-N 0 0 303.362 1.024 50 0 DDAARN O=C([C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000028080882 406916427 /nfs/dbraw/zinc/91/64/27/406916427.db2.gz PHTASQHXJZAOJW-KRWDZBQOSA-N 0 0 316.401 1.445 50 0 DDAARN CN(C)C(=O)[C@H]1CCCN1Cc1nc(-c2ccsc2)no1 ZINC000028659263 406918114 /nfs/dbraw/zinc/91/81/14/406918114.db2.gz QFADGYRJFLCZBM-LLVKDONJSA-N 0 0 306.391 1.851 50 0 DDAARN Cn1nc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1=O ZINC000028910090 406919226 /nfs/dbraw/zinc/91/92/26/406919226.db2.gz SJLVEIGQPJINBL-UHFFFAOYSA-N 0 0 311.263 1.729 50 0 DDAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CC[C@H]1CCCO1 ZINC000028841690 406919512 /nfs/dbraw/zinc/91/95/12/406919512.db2.gz RCMIFLZJLBXOMY-GFCCVEGCSA-N 0 0 315.373 1.841 50 0 DDAARN COc1cccc(SCC(=O)N(C)CC(=O)NC2CC2)c1 ZINC000029029830 406920371 /nfs/dbraw/zinc/92/03/71/406920371.db2.gz FBNZODNNVZZEKA-UHFFFAOYSA-N 0 0 308.403 1.524 50 0 DDAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 ZINC000029207097 406921959 /nfs/dbraw/zinc/92/19/59/406921959.db2.gz WKBSBGUAUUJLSQ-JTQLQIEISA-N 0 0 318.345 1.119 50 0 DDAARN Cc1cc(C)c(CNC(=O)N2C[C@@H](C)OC(C)(C)C2)c(=O)[nH]1 ZINC000075124259 406922633 /nfs/dbraw/zinc/92/26/33/406922633.db2.gz XZOOOXCBHGWPPS-GFCCVEGCSA-N 0 0 307.394 1.701 50 0 DDAARN c1cnnc(N2CCC[C@@H]2CNCc2nnc(C3CC3)o2)c1 ZINC000075128966 406924225 /nfs/dbraw/zinc/92/42/25/406924225.db2.gz XVXXGISEMMBMGD-GFCCVEGCSA-N 0 0 300.366 1.496 50 0 DDAARN Cc1ccc(OCCNC(=O)[C@@H](CC(C)C)NC(N)=O)c(C)c1 ZINC000029547532 406924373 /nfs/dbraw/zinc/92/43/73/406924373.db2.gz YVBZWPXKWNCSIN-CQSZACIVSA-N 0 0 321.421 1.881 50 0 DDAARN C[C@](O)(CNC(=O)c1ccc2nsnc2c1)c1ccco1 ZINC000075156216 406925103 /nfs/dbraw/zinc/92/51/03/406925103.db2.gz CPLRLCCSJCPBCX-AWEZNQCLSA-N 0 0 303.343 1.922 50 0 DDAARN COC(=O)c1sccc1S(=O)(=O)N[C@H]1CCC[C@H](O)C1 ZINC000075156938 406925132 /nfs/dbraw/zinc/92/51/32/406925132.db2.gz OQJKHSQADXWSID-IUCAKERBSA-N 0 0 319.404 1.117 50 0 DDAARN Cc1cc(NC(=O)CN2CC(c3nc(C4CC4)no3)C2)no1 ZINC000075156388 406925230 /nfs/dbraw/zinc/92/52/30/406925230.db2.gz GBUXUYZUKLNREB-UHFFFAOYSA-N 0 0 303.322 1.281 50 0 DDAARN O=C(Nc1cccc2nsnc21)c1nnn(-c2ccccc2)n1 ZINC000075163261 406925494 /nfs/dbraw/zinc/92/54/94/406925494.db2.gz KGPUZVINSDLTHN-UHFFFAOYSA-N 0 0 323.341 1.919 50 0 DDAARN Cc1cn2nnc(C(=O)NCCC3=CCCCC3)c2c(=O)[nH]1 ZINC000075163969 406925603 /nfs/dbraw/zinc/92/56/03/406925603.db2.gz UXAPKVBASDTWCZ-UHFFFAOYSA-N 0 0 301.350 1.759 50 0 DDAARN CNS(=O)(=O)c1cc(C(=O)NC2CCCCCC2)n(C)c1 ZINC000029687954 406926398 /nfs/dbraw/zinc/92/63/98/406926398.db2.gz OFOXRNKJUQUOJA-UHFFFAOYSA-N 0 0 313.423 1.386 50 0 DDAARN CC(C)CN1CCO[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000029872012 406927820 /nfs/dbraw/zinc/92/78/20/406927820.db2.gz ZLYQZQRQIKTSEV-CYBMUJFWSA-N 0 0 317.389 1.047 50 0 DDAARN COc1cccc([C@H](NC(=O)c2cnccn2)c2nccn2C)c1 ZINC000029987217 406929471 /nfs/dbraw/zinc/92/94/71/406929471.db2.gz MGWQXVFKFRARSX-HNNXBMFYSA-N 0 0 323.356 1.738 50 0 DDAARN Cc1onc2c1c(C)nn(CCC(=O)NC1CCCCC1)c2=O ZINC000075403123 406931594 /nfs/dbraw/zinc/93/15/94/406931594.db2.gz 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OCKOYEOOIVHTNJ-CQSZACIVSA-N 0 0 319.405 1.589 50 0 DDAARN COc1coc(C(=O)N(C)Cc2noc(C(C)C)n2)cc1=O ZINC000095385131 407211827 /nfs/dbraw/zinc/21/18/27/407211827.db2.gz NYAJFWZIPQVETF-UHFFFAOYSA-N 0 0 307.306 1.427 50 0 DDAARN O=C(CCc1ccc(O)cc1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000095386322 407212134 /nfs/dbraw/zinc/21/21/34/407212134.db2.gz ZGEZYQVCBSNLSM-INIZCTEOSA-N 0 0 319.401 1.857 50 0 DDAARN C[C@@H](C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)n1cncn1 ZINC000057173681 407213639 /nfs/dbraw/zinc/21/36/39/407213639.db2.gz BCSXWEYVFSQOIX-NSHDSACASA-N 0 0 323.397 1.355 50 0 DDAARN CN(C(=O)CCN1C(=O)CCC1=O)[C@H](CCO)c1ccccc1 ZINC000095426760 407213694 /nfs/dbraw/zinc/21/36/94/407213694.db2.gz ZJTPIINBDPGUDC-CQSZACIVSA-N 0 0 318.373 1.108 50 0 DDAARN CC[C@H](O)Cn1nc(-c2ccncc2)nc1-c1ccc(=O)[nH]c1 ZINC000095504287 407213919 /nfs/dbraw/zinc/21/39/19/407213919.db2.gz TWZNBGSEXRUERI-ZDUSSCGKSA-N 0 0 311.345 1.466 50 0 DDAARN CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2C)CC1 ZINC000057293279 407214754 /nfs/dbraw/zinc/21/47/54/407214754.db2.gz QDDFMSDKSIQIFX-AWEZNQCLSA-N 0 0 318.421 1.351 50 0 DDAARN CC[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)C(C)C ZINC000057458868 407214951 /nfs/dbraw/zinc/21/49/51/407214951.db2.gz BXTQGRVOVVBWSD-TZMCWYRMSA-N 0 0 316.405 1.876 50 0 DDAARN C[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H](c2ccco2)C1 ZINC000095941726 407215400 /nfs/dbraw/zinc/21/54/00/407215400.db2.gz ZGDSTOWEMFGLGM-UONOGXRCSA-N 0 0 319.405 1.353 50 0 DDAARN COc1ccc(N2C(=O)C[C@@H](NCc3cccnc3)C2=O)cc1 ZINC000095532293 407215461 /nfs/dbraw/zinc/21/54/61/407215461.db2.gz HAPKFEUZHHWAHL-OAHLLOKOSA-N 0 0 311.341 1.512 50 0 DDAARN CC(C)(C)[S@@](=O)CCNC(=O)c1csc(NC2CC2)n1 ZINC000095963350 407217815 /nfs/dbraw/zinc/21/78/15/407217815.db2.gz DMCUIPZNHDSJOM-HXUWFJFHSA-N 0 0 315.464 1.994 50 0 DDAARN CN(CC(=O)NC(C)(C)C)C(=O)CCNC(=O)OC(C)(C)C ZINC000057893909 407218070 /nfs/dbraw/zinc/21/80/70/407218070.db2.gz OHXPGGHKGVQGCR-UHFFFAOYSA-N 0 0 315.414 1.274 50 0 DDAARN CC1CCN(CN2C(=S)SC3=NC(=O)CCCN32)CC1 ZINC000058087642 407218957 /nfs/dbraw/zinc/21/89/57/407218957.db2.gz XBWJYBYXCNCKOV-UHFFFAOYSA-N 0 0 312.464 1.903 50 0 DDAARN Cc1cc(NC(=O)NCC(=O)NCCc2ccccc2)no1 ZINC000058333091 407219847 /nfs/dbraw/zinc/21/98/47/407219847.db2.gz WZLRHHJQEVDZAL-UHFFFAOYSA-N 0 0 302.334 1.463 50 0 DDAARN COC[C@H](O)CNC(=O)c1nn(-c2ccccc2Cl)cc1C ZINC000095980950 407220155 /nfs/dbraw/zinc/22/01/55/407220155.db2.gz AYOLNBSGIIQGTI-LLVKDONJSA-N 0 0 323.780 1.571 50 0 DDAARN CCc1ccc(C(=O)NCc2ccn(C)c2)cc1S(C)(=O)=O ZINC000095980173 407220160 /nfs/dbraw/zinc/22/01/60/407220160.db2.gz LMGFDHHROMJEQU-UHFFFAOYSA-N 0 0 320.414 1.921 50 0 DDAARN O=C(NO[C@@H]1CCCCO1)[C@H]1CCCN(c2ncccn2)C1 ZINC000058429664 407221927 /nfs/dbraw/zinc/22/19/27/407221927.db2.gz UQONQQNMPCTRPQ-QWHCGFSZSA-N 0 0 306.366 1.267 50 0 DDAARN CN(C(=O)c1ncn(-c2ccccc2)n1)[C@@H](CO)C(C)(C)C ZINC000095994024 407221926 /nfs/dbraw/zinc/22/19/26/407221926.db2.gz XZCKSUPBNKPORY-ZDUSSCGKSA-N 0 0 302.378 1.746 50 0 DDAARN COc1cc(C(C)=O)ccc1OCC(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000096003353 407222907 /nfs/dbraw/zinc/22/29/07/407222907.db2.gz HHEQZSPMUZDNTA-TZMCWYRMSA-N 0 0 321.373 1.506 50 0 DDAARN O=S(=O)(c1cccc(F)c1)N1CCCC[C@H]1C1OCCO1 ZINC000060348850 407224774 /nfs/dbraw/zinc/22/47/74/407224774.db2.gz MREAUFLOQLVIEY-ZDUSSCGKSA-N 0 0 315.366 1.742 50 0 DDAARN O=C(CS(=O)(=O)c1nccs1)N1CCc2ccccc2C1 ZINC000063871260 407236501 /nfs/dbraw/zinc/23/65/01/407236501.db2.gz SHXMJSDDNABSOB-UHFFFAOYSA-N 0 0 322.411 1.502 50 0 DDAARN CC(C)c1cc(C(=O)N2CCOCC2)nc(N2CCCC2)n1 ZINC000096101182 407237012 /nfs/dbraw/zinc/23/70/12/407237012.db2.gz URHSMDDXHIGRKJ-UHFFFAOYSA-N 0 0 304.394 1.673 50 0 DDAARN OCCn1nc(Cc2cccc(Cl)c2)nc1-c1cn[nH]n1 ZINC000096136327 407239948 /nfs/dbraw/zinc/23/99/48/407239948.db2.gz YNRMSLGGOCIQQE-UHFFFAOYSA-N 0 0 304.741 1.300 50 0 DDAARN CCc1nccn1CC(=O)N[C@H]1COC[C@H]1Cc1cc(C)no1 ZINC000096136602 407239953 /nfs/dbraw/zinc/23/99/53/407239953.db2.gz JPKGBTPEULRWHR-OCCSQVGLSA-N 0 0 318.377 1.116 50 0 DDAARN COCCC1CCN(C(=O)CN(C)C(=O)c2ccco2)CC1 ZINC000065181283 407240367 /nfs/dbraw/zinc/24/03/67/407240367.db2.gz GTXUUPCDYYFGSQ-UHFFFAOYSA-N 0 0 308.378 1.627 50 0 DDAARN COc1nccnc1NC1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000065268486 407241542 /nfs/dbraw/zinc/24/15/42/407241542.db2.gz ZTRLOWZOPIXZKK-LBPRGKRZSA-N 0 0 306.366 1.067 50 0 DDAARN CCCc1cc(N2CCN(C(=O)C3CC3)CC2)nc2nncn21 ZINC000065312039 407241963 /nfs/dbraw/zinc/24/19/63/407241963.db2.gz HFDCYCXGAIBAAH-UHFFFAOYSA-N 0 0 314.393 1.135 50 0 DDAARN C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000096163651 407241978 /nfs/dbraw/zinc/24/19/78/407241978.db2.gz PGQJZDIQULBGGT-GXTWGEPZSA-N 0 0 318.200 1.880 50 0 DDAARN Cn1nccc1C(=O)N1CCC(c2nnc(C3CC3)[nH]2)CC1 ZINC000065287489 407242110 /nfs/dbraw/zinc/24/21/10/407242110.db2.gz PJPXVDREZDLWBM-UHFFFAOYSA-N 0 0 300.366 1.435 50 0 DDAARN COc1cccc(C(=O)N2CCN=C2N2CCCC2)c1OC ZINC000065306370 407242461 /nfs/dbraw/zinc/24/24/61/407242461.db2.gz SGVOPOFOKMXQME-UHFFFAOYSA-N 0 0 303.362 1.611 50 0 DDAARN COCCCNC(=O)CN1C(=O)CC(C)(C)c2ccccc21 ZINC000096183208 407243073 /nfs/dbraw/zinc/24/30/73/407243073.db2.gz XEWWAQFWJJNQBJ-UHFFFAOYSA-N 0 0 304.390 1.854 50 0 DDAARN CCOc1ccnc(N2CCC([C@@H](O)c3nccn3C)CC2)n1 ZINC000065462896 407243571 /nfs/dbraw/zinc/24/35/71/407243571.db2.gz LPNVYBPGMILHAC-CQSZACIVSA-N 0 0 317.393 1.559 50 0 DDAARN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cnn(C(C)C)c3)C2)no1 ZINC000096192149 407247075 /nfs/dbraw/zinc/24/70/75/407247075.db2.gz IJHIPMJTRNUOGR-LLVKDONJSA-N 0 0 317.349 1.752 50 0 DDAARN CCS(=O)(=O)NCCNc1nc(C)nc2scc(C)c21 ZINC000123382325 407327219 /nfs/dbraw/zinc/32/72/19/407327219.db2.gz NHNICQKQJBAOLO-UHFFFAOYSA-N 0 0 314.436 1.659 50 0 DDAARN CNC(=O)[C@@H](CC(C)C)NC(=O)CNc1c(C)cccc1C ZINC000096426261 407263991 /nfs/dbraw/zinc/26/39/91/407263991.db2.gz ROOCHFRYSYDHDW-CQSZACIVSA-N 0 0 305.422 1.992 50 0 DDAARN C[C@@H]1CCN(CCS(C)(=O)=O)CCN1Cc1ccccc1 ZINC000096435851 407265669 /nfs/dbraw/zinc/26/56/69/407265669.db2.gz NBHMMLHMFWCGFS-OAHLLOKOSA-N 0 0 310.463 1.627 50 0 DDAARN CC(=O)N1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000096430439 407265760 /nfs/dbraw/zinc/26/57/60/407265760.db2.gz GTDMBLQDFUQVGF-ZDUSSCGKSA-N 0 0 310.444 1.769 50 0 DDAARN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)Oc1ccc(F)cc1 ZINC000096431488 407265985 /nfs/dbraw/zinc/26/59/85/407265985.db2.gz RIJWWFDGLDNUSO-LLVKDONJSA-N 0 0 310.369 1.872 50 0 DDAARN COc1cccc(-c2noc([C@H](C)NC(=O)c3ccn[nH]3)n2)c1 ZINC000096432738 407266128 /nfs/dbraw/zinc/26/61/28/407266128.db2.gz KMYAFWVJUVPBSD-VIFPVBQESA-N 0 0 313.317 1.959 50 0 DDAARN C[C@@H](NC(=O)NCc1ncnn1C)c1cc(F)c(F)c(F)c1 ZINC000096440042 407266365 /nfs/dbraw/zinc/26/63/65/407266365.db2.gz LXTKEOUCPKTQRB-SSDOTTSWSA-N 0 0 313.283 1.793 50 0 DDAARN CS(=O)(=O)CCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000096445768 407267305 /nfs/dbraw/zinc/26/73/05/407267305.db2.gz QOMJUYOLKRZZDV-OAHLLOKOSA-N 0 0 324.446 1.316 50 0 DDAARN CC(C)c1nnc(CN2CCNC(=O)[C@@H]2c2cccs2)o1 ZINC000096443538 407267351 /nfs/dbraw/zinc/26/73/51/407267351.db2.gz PWXNATQZMGBFGY-LBPRGKRZSA-N 0 0 306.391 1.928 50 0 DDAARN C[C@@H](CNS(=O)(=O)c1cnn(C)c1)c1nc2ccccc2o1 ZINC000096446666 407267363 /nfs/dbraw/zinc/26/73/63/407267363.db2.gz VUPOGJACUJUZFC-JTQLQIEISA-N 0 0 320.374 1.643 50 0 DDAARN C[C@@H](CNS(N)(=O)=O)Oc1ccccc1Br ZINC000096452502 407268616 /nfs/dbraw/zinc/26/86/16/407268616.db2.gz FDTNOSPGHUMEDK-ZETCQYMHSA-N 0 0 309.185 1.010 50 0 DDAARN CC[C@H]1C(=O)NCCN1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000096466382 407270053 /nfs/dbraw/zinc/27/00/53/407270053.db2.gz ZZVOTKGGKRBKED-JTQLQIEISA-N 0 0 301.268 1.846 50 0 DDAARN CC1(C)CN(C(=O)Cc2cc(F)ccc2F)CCS1(=O)=O ZINC000096462350 407270151 /nfs/dbraw/zinc/27/01/51/407270151.db2.gz PVBWEGGHDCOKNJ-UHFFFAOYSA-N 0 0 317.357 1.543 50 0 DDAARN CN1C[C@@H](NC(=O)N2CCc3c(F)cc(F)cc3C2)CCC1=O ZINC000096477168 407271093 /nfs/dbraw/zinc/27/10/93/407271093.db2.gz HAEMGCWOFSWZRW-LBPRGKRZSA-N 0 0 323.343 1.653 50 0 DDAARN O=S(=O)(c1c(F)cccc1Br)N1CC[C@@H](O)C1 ZINC000096483476 407271898 /nfs/dbraw/zinc/27/18/98/407271898.db2.gz DOJCUBRVVBEUCT-SSDOTTSWSA-N 0 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RGFYNXPLOTXBMM-SECBINFHSA-N 0 0 324.324 1.948 50 0 DDAARN CCCn1c(C)nnc1CN1CCC[C@@H](C2(C)OCCO2)C1 ZINC000097086623 407279343 /nfs/dbraw/zinc/27/93/43/407279343.db2.gz GKGHRUGLSFVRAO-CQSZACIVSA-N 0 0 308.426 1.972 50 0 DDAARN OC1(C(F)(F)F)CCN(Cc2cnc3cnccn23)CC1 ZINC000097095431 407279354 /nfs/dbraw/zinc/27/93/54/407279354.db2.gz NZCUIEBAOGVXTA-UHFFFAOYSA-N 0 0 300.284 1.619 50 0 DDAARN Cc1cccc(N2CCC(CC(=O)N3CCN(C)CC3)CC2)n1 ZINC000097096580 407279764 /nfs/dbraw/zinc/27/97/64/407279764.db2.gz ASRKQDFVEUMSIL-UHFFFAOYSA-N 0 0 316.449 1.771 50 0 DDAARN CCOc1ncccc1-c1cncc(C(=O)N2CCOCC2)n1 ZINC000067692484 407280157 /nfs/dbraw/zinc/28/01/57/407280157.db2.gz HYPIAMIJLYJWRW-UHFFFAOYSA-N 0 0 314.345 1.410 50 0 DDAARN Cc1csc([C@@H](C)CNC(=O)Nc2nccn(C)c2=O)n1 ZINC000097113812 407281328 /nfs/dbraw/zinc/28/13/28/407281328.db2.gz QPVVFZMIIMHKIR-QMMMGPOBSA-N 0 0 307.379 1.470 50 0 DDAARN Cn1cc(C(N)=O)c(NC(=O)c2scnc2C2CCCC2)n1 ZINC000097115695 407281399 /nfs/dbraw/zinc/28/13/99/407281399.db2.gz 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406685274 /nfs/dbraw/zinc/68/52/74/406685274.db2.gz CYTBTUJWWLDURD-CQSZACIVSA-N 0 0 302.330 1.863 50 0 biogenic DDAARN O=C(COC(=O)c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000002660368 406696418 /nfs/dbraw/zinc/69/64/18/406696418.db2.gz BVWUDBROIFKGMZ-UHFFFAOYSA-N 0 0 314.341 1.785 50 0 DDAARN Cn1cc(I)c(C(=O)NC(C)(C)C)n1 ZINC000002734232 406697154 /nfs/dbraw/zinc/69/71/54/406697154.db2.gz HLFFPQMPGAGTMY-UHFFFAOYSA-N 0 0 307.135 1.553 50 0 DDAARN CCn1ncc(NC(=O)[C@@H](C)n2ncc(Cl)c2C)c1C(N)=O ZINC000002778070 406697620 /nfs/dbraw/zinc/69/76/20/406697620.db2.gz UQBBYCLNSVEHRH-MRVPVSSYSA-N 0 0 324.772 1.360 50 0 DDAARN C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)cn1)n1cccn1 ZINC000069350854 406699192 /nfs/dbraw/zinc/69/91/92/406699192.db2.gz IARRNYHTGNQRDR-JTQLQIEISA-N 0 0 321.768 1.590 50 0 DDAARN COC(=O)[C@H](C)CN(C)C(=O)c1cc(C)nc2onc(C)c21 ZINC000069352052 406700461 /nfs/dbraw/zinc/70/04/61/406700461.db2.gz MQTAGMMNBMPARC-MRVPVSSYSA-N 0 0 305.334 1.721 50 0 DDAARN Cn1ncc2c3nc(-c4cc(C(F)(F)F)n(C)n4)nn3cnc21 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C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CC[NH+](C)C)CC(=O)[O-] ZINC000237478134 300713321 /nfs/dbraw/zinc/71/33/21/300713321.db2.gz PZDIPEQYUVXFLT-NHYWBVRUSA-N 0 0 306.362 1.026 50 0 DDAARN Cn1nc2c(cc1=O)CN(C(=O)Cc1coc3ccccc13)CC2 ZINC000367617227 300864988 /nfs/dbraw/zinc/86/49/88/300864988.db2.gz QBCUQHBIZPFHMK-UHFFFAOYSA-N 0 0 323.352 1.654 50 0 DDAARN CCN(C)C(=O)NC1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000368511073 301044318 /nfs/dbraw/zinc/04/43/18/301044318.db2.gz WHDQLJLDWXSKEQ-UHFFFAOYSA-N 0 0 305.378 1.658 50 0 DDAARN Cc1cc(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000058393269 301278103 /nfs/dbraw/zinc/27/81/03/301278103.db2.gz MUWSWLHAKXWEDN-GUTXKFCHSA-N 0 0 309.410 1.733 50 0 DDAARN Cc1cc(F)ccc1S(=O)(=O)N1CCSC[C@H]1CCO ZINC000095443863 301316307 /nfs/dbraw/zinc/31/63/07/301316307.db2.gz LXUMKFDHCIZVQY-GFCCVEGCSA-N 0 0 319.423 1.623 50 0 DDAARN Cc1cc(N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)cc[nH+]1 ZINC000095358829 301332121 /nfs/dbraw/zinc/33/21/21/301332121.db2.gz 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306.753 1.292 50 0 DDAARN O=C(Cn1nnc2ccccc21)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000040553889 183101002 /nfs/dbraw/zinc/10/10/02/183101002.db2.gz IJMSNXHXCWEZRV-LSDHHAIUSA-N 0 0 300.362 1.601 50 0 DDAARN CCn1cc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)cn1 ZINC000040776525 183132534 /nfs/dbraw/zinc/13/25/34/183132534.db2.gz QOBYWQZDRWMENM-HNNXBMFYSA-N 0 0 300.318 1.631 50 0 DDAARN C[C@H]1CN(Cc2nnc(-c3cc4ccccn4n3)o2)C[C@H](C)O1 ZINC000040714573 183122780 /nfs/dbraw/zinc/12/27/80/183122780.db2.gz JRZURMSVLGZKJG-RYUDHWBXSA-N 0 0 313.361 1.994 50 0 DDAARN CC[C@H](CO)NS(=O)(=O)c1cc(C(C)C)ccc1OC ZINC000041096290 183165604 /nfs/dbraw/zinc/16/56/04/183165604.db2.gz UUYBORDKBZKCQH-GFCCVEGCSA-N 0 0 301.408 1.868 50 0 DDAARN Cc1noc(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000041121806 183167947 /nfs/dbraw/zinc/16/79/47/183167947.db2.gz LHTXUHFIWPLUGC-UHFFFAOYSA-N 0 0 307.375 1.946 50 0 DDAARN Cc1nn(C)c2cn([C@@H](C)C(=O)NCCCn3ccnc3)nc12 ZINC000041124263 183169056 /nfs/dbraw/zinc/16/90/56/183169056.db2.gz 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/nfs/dbraw/zinc/22/80/14/183228014.db2.gz TVVHMTDOPQNPSE-UHFFFAOYSA-N 0 0 300.362 1.644 50 0 DDAARN COc1ccc(OCCn2cc(-c3nnco3)ccc2=O)cc1 ZINC000043240764 183345494 /nfs/dbraw/zinc/34/54/94/183345494.db2.gz FOENQYDZHDFAFB-UHFFFAOYSA-N 0 0 313.313 1.986 50 0 DDAARN Cc1ccc(NC(=O)NCCCN(C)S(C)(=O)=O)c(F)c1 ZINC000043323909 183355369 /nfs/dbraw/zinc/35/53/69/183355369.db2.gz FNARPJSZTMYRCJ-UHFFFAOYSA-N 0 0 317.386 1.537 50 0 DDAARN CS(=O)(=O)c1ccccc1NC(=O)NCc1ccccn1 ZINC000043929658 183389888 /nfs/dbraw/zinc/38/98/88/183389888.db2.gz CLXTXMDEFRGULF-UHFFFAOYSA-N 0 0 305.359 1.807 50 0 DDAARN CNC(=O)Cc1ccccc1NC(=O)NCCc1ccccn1 ZINC000044180141 183397166 /nfs/dbraw/zinc/39/71/66/183397166.db2.gz NEYQIVMCAIDGRF-UHFFFAOYSA-N 0 0 312.373 1.734 50 0 DDAARN Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)on2)no1 ZINC000044938640 183462069 /nfs/dbraw/zinc/46/20/69/183462069.db2.gz YQWRAQVIRQUUPA-VIFPVBQESA-N 0 0 313.335 1.221 50 0 DDAARN C[C@@H](NC(=O)COc1ccc(-n2cnnn2)cc1)c1ccco1 ZINC000044870394 183445200 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C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccccn1)CS2 ZINC000058131678 184078757 /nfs/dbraw/zinc/07/87/57/184078757.db2.gz LFGKAXQILWLTKC-IUODEOHRSA-N 0 0 305.403 1.194 50 0 DDAARN CNC(=O)NC(=O)CNc1ccc(C(=O)NC(C)C)cc1C ZINC000058155807 184081495 /nfs/dbraw/zinc/08/14/95/184081495.db2.gz RLJKJHYCKJLCKX-UHFFFAOYSA-N 0 0 306.366 1.001 50 0 DDAARN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000058160247 184082267 /nfs/dbraw/zinc/08/22/67/184082267.db2.gz GQLGJKQVYTXHGB-ZJUUUORDSA-N 0 0 307.350 1.840 50 0 DDAARN CN(C(=O)Cn1cnc2ncccc2c1=O)C1CCCCC1 ZINC000058367174 184109475 /nfs/dbraw/zinc/10/94/75/184109475.db2.gz VZBDNNCEGTTXAE-UHFFFAOYSA-N 0 0 300.362 1.583 50 0 DDAARN CCOc1cc(C)ccc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000058391886 184111014 /nfs/dbraw/zinc/11/10/14/184111014.db2.gz SKEJHKZWHMLFAR-LLVKDONJSA-N 0 0 312.391 1.702 50 0 DDAARN O=C(NCc1cccnc1-n1cncn1)c1cn2ccccc2n1 ZINC000058272759 184098534 /nfs/dbraw/zinc/09/85/34/184098534.db2.gz CKOWREZGJAKBIT-UHFFFAOYSA-N 0 0 319.328 1.240 50 0 DDAARN O=C(Cn1c(=O)onc1-c1ccccc1)NC1CCCCC1 ZINC000058294881 184101748 /nfs/dbraw/zinc/10/17/48/184101748.db2.gz BRAMBSDNKXNVNO-UHFFFAOYSA-N 0 0 301.346 1.952 50 0 DDAARN C[C@H](SCc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000058295325 184101753 /nfs/dbraw/zinc/10/17/53/184101753.db2.gz ZMQDQARVQUZJQA-DZGCQCFKSA-N 0 0 308.447 1.755 50 0 DDAARN CN(C)C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000058315827 184104656 /nfs/dbraw/zinc/10/46/56/184104656.db2.gz WGAURLVLOJBBRL-UHFFFAOYSA-N 0 0 324.427 1.928 50 0 DDAARN COC(=O)[C@H](C)CN(C)C(=O)[C@H]1COc2cc(OC)ccc2C1 ZINC000058403367 184113275 /nfs/dbraw/zinc/11/32/75/184113275.db2.gz BCCFDKVDTXQIAZ-DGCLKSJQSA-N 0 0 321.373 1.514 50 0 DDAARN c1ccc(Cc2nnc(CN3CCC4(CC3)OCCO4)o2)cc1 ZINC000058415430 184115366 /nfs/dbraw/zinc/11/53/66/184115366.db2.gz JTKWALVVNQVRLF-UHFFFAOYSA-N 0 0 315.373 1.999 50 0 DDAARN CC(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O ZINC000058471594 184120009 /nfs/dbraw/zinc/12/00/09/184120009.db2.gz GYLRTWBLDPJLEK-ZDUSSCGKSA-N 0 0 324.402 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C[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2F)CC1 ZINC000242389607 222213113 /nfs/dbraw/zinc/21/31/13/222213113.db2.gz ZYTPFYMZXQVSHR-QEJZJMRPSA-N 0 0 306.381 1.454 50 0 DDAARN C[C@H](O)CN1CCN(C(=O)CCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000252474879 222244542 /nfs/dbraw/zinc/24/45/42/222244542.db2.gz NXSDLKDNNJMXPN-YCPHGPKFSA-N 0 0 320.433 1.861 50 0 DDAARN Cn1cc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)cn1 ZINC000253532473 222249918 /nfs/dbraw/zinc/24/99/18/222249918.db2.gz RKOBLAMEGFWUPS-YDHLFZDLSA-N 0 0 312.373 1.818 50 0 DDAARN O[C@H](CN1CCOCC1)C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375690643 418674312 /nfs/dbraw/zinc/67/43/12/418674312.db2.gz QPEKLRKYBYGDLQ-QGZVFWFLSA-N 0 0 316.445 1.617 50 0 DDAARN C[C@@H](O)C(=O)N1CCN(c2cc(-c3ccccc3)ccn2)CC1 ZINC000408518736 418806933 /nfs/dbraw/zinc/80/69/33/418806933.db2.gz XHAHNCFOOBLIRV-CQSZACIVSA-N 0 0 311.385 1.778 50 0 DDAARN Cc1ncccc1C(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O ZINC000408518439 418807130 /nfs/dbraw/zinc/80/71/30/418807130.db2.gz 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229431001 /nfs/dbraw/zinc/43/10/01/229431001.db2.gz RWQKLRWQSFRIJE-LSDHHAIUSA-N 0 0 316.336 1.332 50 0 DDAARN COCCn1c(C)cnc1[C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC000575316353 422288537 /nfs/dbraw/zinc/28/85/37/422288537.db2.gz GNEWNVPXWZSUFQ-CQSZACIVSA-N 0 0 316.405 1.806 50 0 DDAARN Cc1cc(C)n(CC(=O)N(C)[C@@H]2CCc3nnc(C)n3CC2)n1 ZINC000575544114 422302576 /nfs/dbraw/zinc/30/25/76/422302576.db2.gz FJVLZKVRBSQXOY-CQSZACIVSA-N 0 0 316.409 1.263 50 0 DDAARN Cn1cc(-c2cncc(C(=O)Nc3nnc(C4CC4)n3C)c2)cn1 ZINC000585113379 422306073 /nfs/dbraw/zinc/30/60/73/422306073.db2.gz XOXYYTXRDGHWQG-UHFFFAOYSA-N 0 0 323.360 1.740 50 0 DDAARN COC[C@](C)(CNC(=O)C1(c2ccccc2)CCOCC1)OC ZINC000575610780 422306253 /nfs/dbraw/zinc/30/62/53/422306253.db2.gz AELSGAFDQWGPDT-KRWDZBQOSA-N 0 0 321.417 1.903 50 0 DDAARN CO[C@H]1CN([C@H](C)C(=O)Nc2nc3ccccc3s2)CCO1 ZINC000585116186 422306952 /nfs/dbraw/zinc/30/69/52/422306952.db2.gz KCNPHZSLPVDZFI-ZWNOBZJWSA-N 0 0 321.402 1.928 50 0 DDAARN COc1ncc(CN2CCN(C)[C@H](c3nc(C)no3)C2)s1 ZINC000585117448 422307268 /nfs/dbraw/zinc/30/72/68/422307268.db2.gz DLVGGTNGXLEEJD-NSHDSACASA-N 0 0 309.395 1.332 50 0 DDAARN CCOc1cccc(CNC(=O)C[C@H]2CCCS2(=O)=O)c1 ZINC000585121971 422307313 /nfs/dbraw/zinc/30/73/13/422307313.db2.gz HTJJIIZVXDRGGD-CQSZACIVSA-N 0 0 311.403 1.669 50 0 DDAARN O=C(NCc1cn(-c2cccnc2)nn1)NCc1cccs1 ZINC000575617497 422307516 /nfs/dbraw/zinc/30/75/16/422307516.db2.gz DILDTBILLYIHMD-UHFFFAOYSA-N 0 0 314.374 1.723 50 0 DDAARN COC(=O)C[C@H]1CCCN1C(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000585129519 422309316 /nfs/dbraw/zinc/30/93/16/422309316.db2.gz MLARKMVJQUBGHF-NWDGAFQWSA-N 0 0 305.378 1.633 50 0 DDAARN CCS[C@@H]1CCCCN(C(=O)[C@@H]2CN(C)C[C@@H](C)O2)C1 ZINC000585132325 422309409 /nfs/dbraw/zinc/30/94/09/422309409.db2.gz UJFATZFEADYKGV-MCIONIFRSA-N 0 0 300.468 1.840 50 0 DDAARN COC(=O)C1(CNC(=O)c2cc(C(F)(F)F)c[nH]c2=O)CC1 ZINC000585131662 422309540 /nfs/dbraw/zinc/30/95/40/422309540.db2.gz CBNUSLFQYHNNEQ-UHFFFAOYSA-N 0 0 318.251 1.489 50 0 DDAARN COC[C@@](C)(CNS(=O)(=O)c1ccc(F)c(C)c1)OC ZINC000575613907 422305155 /nfs/dbraw/zinc/30/51/55/422305155.db2.gz XWCVVCJEIFDNDI-CYBMUJFWSA-N 0 0 305.371 1.464 50 0 DDAARN COc1ccsc1S(=O)(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000585114817 422305267 /nfs/dbraw/zinc/30/52/67/422305267.db2.gz BBWTZTOHTHJDGR-XHNCKOQMSA-N 0 0 318.420 1.043 50 0 DDAARN CCOC(=O)C[C@@H](NC(=O)c1c[nH]c(C)cc1=O)C(F)(F)F ZINC000585113586 422305621 /nfs/dbraw/zinc/30/56/21/422305621.db2.gz HAEFENOCIGLHAU-SNVBAGLBSA-N 0 0 320.267 1.297 50 0 DDAARN OC[C@@H](Nc1ccnc(C2CC2)n1)[C@@H](O)c1ccc(Cl)cc1 ZINC000585132702 422311241 /nfs/dbraw/zinc/31/12/41/422311241.db2.gz NKRFPBCPNFQXTP-HIFRSBDPSA-N 0 0 319.792 2.514 50 0 DDAARN O=C(CC[C@@H]1NC(=O)NC1=O)NCCCCc1ccccc1 ZINC000634568237 422487317 /nfs/dbraw/zinc/48/73/17/422487317.db2.gz YYLAAXYVCLMPAH-ZDUSSCGKSA-N 0 0 303.362 1.114 50 0 DDAARN O=C(Cc1ccccc1Cl)N1CC[C@@H](N2CCOC2=O)C1 ZINC000618256088 422523050 /nfs/dbraw/zinc/52/30/50/422523050.db2.gz DCAJEOWDNKNOBH-GFCCVEGCSA-N 0 0 308.765 1.936 50 0 DDAARN NC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cccc1Cl ZINC000097380096 263335845 /nfs/dbraw/zinc/33/58/45/263335845.db2.gz LYHHHPDTAZMDDE-XCBNKYQSSA-N 0 0 320.773 1.411 50 0 DDAARN COC(=O)c1ccc(C(=O)N2CCC(c3cn[nH]c3)CC2)nc1 ZINC000345664838 272299713 /nfs/dbraw/zinc/29/97/13/272299713.db2.gz OMJWRTXOWXWUJQ-UHFFFAOYSA-N 0 0 314.345 1.611 50 0 DDAARN CC(C)=CCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000192293 275557593 /nfs/dbraw/zinc/55/75/93/275557593.db2.gz QCROWEOIJVGTQA-UHFFFAOYSA-N 0 0 317.393 1.380 50 0 biogenic DDAARN CN1c2ccc(NC(=O)c3ccno3)cc2N(C)S1(=O)=O ZINC000253472556 277216640 /nfs/dbraw/zinc/21/66/40/277216640.db2.gz NMFXPLXESNTFBR-UHFFFAOYSA-N 0 0 308.319 1.058 50 0 DDAARN C[C@@H](c1ccccc1)N1CNc2c(c(=O)n(C)c(=O)n2C)C1 ZINC000054097471 277650996 /nfs/dbraw/zinc/65/09/96/277650996.db2.gz PSIVBTHRRPRTQV-NSHDSACASA-N 0 0 300.362 1.030 50 0 DDAARN CS(=O)(=O)N1CCN(C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095508811 278110928 /nfs/dbraw/zinc/11/09/28/278110928.db2.gz BGSYUBNWCLPZFT-AWEZNQCLSA-N 0 0 324.446 1.205 50 0 DDAARN CC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000008395248 278234033 /nfs/dbraw/zinc/23/40/33/278234033.db2.gz FWQHKGOFDHYOKC-BPYAMOTFSA-N 0 0 310.350 1.008 50 0 DDAARN CC1(C)CNC(=O)c2[nH]c(-c3cccnc3-n3cncn3)nc2C1 ZINC000065463284 278349934 /nfs/dbraw/zinc/34/99/34/278349934.db2.gz IWOCZMFWBWGCFX-UHFFFAOYSA-N 0 0 323.360 1.365 50 0 DDAARN C[C@H]1CCc2c(sc3ncnc(N4CCNC(=O)C4)c23)C1 ZINC000007984896 278388031 /nfs/dbraw/zinc/38/80/31/278388031.db2.gz AWJDTQZDHJXHSV-VIFPVBQESA-N 0 0 302.403 1.752 50 0 DDAARN CC(C)(C)n1ncnc1CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000253396631 278588069 /nfs/dbraw/zinc/58/80/69/278588069.db2.gz FUJHAJKRPYCAHB-AWEZNQCLSA-N 0 0 308.407 1.415 50 0 DDAARN Cc1c(C)n(C2CCCCC2)c2nc3c(c(=O)[nH]c(=O)n3C)n12 ZINC000013811677 278594426 /nfs/dbraw/zinc/59/44/26/278594426.db2.gz IEOMJMLJZNNVTK-UHFFFAOYSA-N 0 0 315.377 1.798 50 0 DDAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2)c(=O)n3C)o1 ZINC000006660795 281554397 /nfs/dbraw/zinc/55/43/97/281554397.db2.gz YTVPBOABBUWTHQ-UHFFFAOYSA-N 0 0 310.313 1.298 50 0 DDAARN Cn1c(CN2CCCSc3ccccc32)cc(=O)n(C)c1=O ZINC000044892723 294153724 /nfs/dbraw/zinc/15/37/24/294153724.db2.gz YSVYKLUIUQOFLP-UHFFFAOYSA-N 0 0 317.414 1.586 50 0 DDAARN COc1ccc2c(c1)N(CC(C)C)CC[C@]21NC(=O)NC1=O ZINC000078503014 295265000 /nfs/dbraw/zinc/26/50/00/295265000.db2.gz ZUZAQQOTIHSKMK-INIZCTEOSA-N 0 0 303.362 1.596 50 0 DDAARN C[C@@]1(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)CCCO1 ZINC000426535203 297860777 /nfs/dbraw/zinc/86/07/77/297860777.db2.gz QMLVUSSWXQUSOO-IBGZPJMESA-N 0 0 314.429 1.867 50 0 DDAARN C[C@H](C(=O)N1CCCCCC1)S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000245522445 298018164 /nfs/dbraw/zinc/01/81/64/298018164.db2.gz CQWDFJKANPASQT-XQQFMLRXSA-N 0 0 303.424 1.370 50 0 DDAARN C[C@H](C(=O)Nc1cccnc1)N(c1ccccc1)S(C)(=O)=O ZINC000000079979 298195987 /nfs/dbraw/zinc/19/59/87/298195987.db2.gz UHZQGVMQIWDOKW-GFCCVEGCSA-N 0 0 319.386 1.875 50 0 DDAARN C[C@H]1SCCN(C(=O)C2(NC(N)=O)CC2)[C@@H]1c1ccccc1 ZINC000153221926 300653101 /nfs/dbraw/zinc/65/31/01/300653101.db2.gz SSJAOYCEAUVZQS-YPMHNXCESA-N 0 0 319.430 1.893 50 0 DDAARN Cc1nnc([C@H]2CCCCN2C(=O)c2c(C)nn(C)c2N)[nH]1 ZINC000368497747 301041356 /nfs/dbraw/zinc/04/13/56/301041356.db2.gz AYYPXRPCMNJCLF-SNVBAGLBSA-N 0 0 303.370 1.105 50 0 DDAARN O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)C1CCC1 ZINC000371247030 301440033 /nfs/dbraw/zinc/44/00/33/301440033.db2.gz JMRPTSXLCBYROQ-VIFPVBQESA-N 0 0 302.300 1.819 50 0 DDAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CC(=O)Nc2ccccc21 ZINC000037388973 302483167 /nfs/dbraw/zinc/48/31/67/302483167.db2.gz AWGFUNPKNXXEFV-UHFFFAOYSA-N 0 0 306.347 1.174 50 0 DDAARN Cc1n[nH]c(C)c1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(=O)[O-] ZINC000095509088 302494636 /nfs/dbraw/zinc/49/46/36/302494636.db2.gz QAGSVJZHYOBGDO-CQSZACIVSA-N 0 0 322.409 1.389 50 0 DDAARN NC(=O)CN(Cc1cccc2c1OCCCO2)C[C@@H]1CCCO1 ZINC000048276976 303249678 /nfs/dbraw/zinc/24/96/78/303249678.db2.gz MSWPBIVZSDEFRX-AWEZNQCLSA-N 0 0 320.389 1.314 50 0 DDAARN CN(Cc1cn(C)nn1)S(=O)(=O)c1cccc2cnccc21 ZINC000551365329 303632418 /nfs/dbraw/zinc/63/24/18/303632418.db2.gz HUSUTCNUSSKWBH-UHFFFAOYSA-N 0 0 317.374 1.184 50 0 DDAARN CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc1 ZINC000003396478 331480533 /nfs/dbraw/zinc/48/05/33/331480533.db2.gz SPWICQFHEGENNQ-SNVBAGLBSA-N 0 0 307.350 1.273 50 0 DDAARN CCN1C[C@H](C(=O)NCc2cccc(OC(F)F)c2)CC1=O ZINC000050366634 331750415 /nfs/dbraw/zinc/75/04/15/331750415.db2.gz MSKRZYBXPCYZOK-LLVKDONJSA-N 0 0 312.316 1.773 50 0 DDAARN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)Oc1ccccn1 ZINC000521394679 333462324 /nfs/dbraw/zinc/46/23/24/333462324.db2.gz TYVZXKCOBRNRFP-VXGBXAGGSA-N 0 0 315.377 1.654 50 0 DDAARN CCOc1ccc([C@H](C)NC(=O)CNC(=O)N(C)C)cc1F ZINC000534587816 334292789 /nfs/dbraw/zinc/29/27/89/334292789.db2.gz ZDEHCDXJTRCSFZ-JTQLQIEISA-N 0 0 311.357 1.673 50 0 DDAARN COCCN(Cc1ccsc1)C(=O)N[C@@H]1CCN(C)C1=O ZINC000534676261 334323415 /nfs/dbraw/zinc/32/34/15/334323415.db2.gz JVRVSFYCFVBLJP-GFCCVEGCSA-N 0 0 311.407 1.137 50 0 DDAARN NC(=O)COc1cccc(C(=O)NCC[C@H]2CCCOC2)c1 ZINC000529598927 334728826 /nfs/dbraw/zinc/72/88/26/334728826.db2.gz DMTLRRZSDIQFHE-GFCCVEGCSA-N 0 0 306.362 1.097 50 0 DDAARN O=C(NCCOC[C@H]1CCCO1)NC1Cc2ccccc2C1 ZINC000097377418 337382733 /nfs/dbraw/zinc/38/27/33/337382733.db2.gz OBHZFFGYNYHAJF-MRXNPFEDSA-N 0 0 304.390 1.649 50 0 DDAARN CN(C(=O)c1cnc2c(c1)nnn2C)c1nc2ccccc2n1C ZINC000120627224 337382951 /nfs/dbraw/zinc/38/29/51/337382951.db2.gz NDULYPXEXUFIJV-UHFFFAOYSA-N 0 0 321.344 1.527 50 0 DDAARN Cc1cccc(NC(=O)N2CCO[C@H](c3cnn(C)c3)C2)n1 ZINC000124950168 337383013 /nfs/dbraw/zinc/38/30/13/337383013.db2.gz INEXGQMWJMIOQL-ZDUSSCGKSA-N 0 0 301.350 1.729 50 0 DDAARN COc1cc(CNS(=O)(=O)c2ccc3c(c2)CCC3)on1 ZINC000585094112 483922662 /nfs/dbraw/zinc/92/26/62/483922662.db2.gz BLZGNYVVGYEOLN-UHFFFAOYSA-N 0 0 308.359 1.650 50 0 DDAARN Cc1cc(CN2CCN(C(=O)Nc3ccn(C)n3)CC2)on1 ZINC000078442188 483969058 /nfs/dbraw/zinc/96/90/58/483969058.db2.gz WOQCWGDIXKIXTP-UHFFFAOYSA-N 0 0 304.354 1.066 50 0 DDAARN CCN(C)S(=O)(=O)N1CC=C(c2ccc(OC)cc2)CC1 ZINC000081182801 483980090 /nfs/dbraw/zinc/98/00/90/483980090.db2.gz RBTDTYLCLPDRTR-UHFFFAOYSA-N 0 0 310.419 1.981 50 0 DDAARN O=C(CCNC(=O)c1cccc2[nH]ccc21)N1CCOCC1 ZINC000081527058 483980405 /nfs/dbraw/zinc/98/04/05/483980405.db2.gz WJIISZRJGMDVCK-UHFFFAOYSA-N 0 0 301.346 1.147 50 0 DDAARN CCc1n[nH]c(=O)c(C(=O)N2C[C@@H](C)S[C@@H](C)C2)c1CC ZINC000083817594 483983876 /nfs/dbraw/zinc/98/38/76/483983876.db2.gz PQUAWHMLVPUVNA-AOOOYVTPSA-N 0 0 309.435 1.861 50 0 DDAARN C[C@H](NC(=O)N1C[C@@H]2CC=CC[C@H]2C1)C(=O)N1CCCCC1 ZINC000083995730 483987039 /nfs/dbraw/zinc/98/70/39/483987039.db2.gz ZKICDCVPXJKYOH-KKUMJFAQSA-N 0 0 305.422 1.995 50 0 DDAARN Cc1cc([C@H]2CCCN(CC(=O)Nc3nnc(C)s3)C2)n[nH]1 ZINC000084111099 483988424 /nfs/dbraw/zinc/98/84/24/483988424.db2.gz AFIUYIOJZMXLAN-NSHDSACASA-N 0 0 320.422 1.696 50 0 DDAARN O=C(c1ncoc1-c1cccs1)N1CCS(=O)(=O)CC1 ZINC000084442253 483995596 /nfs/dbraw/zinc/99/55/96/483995596.db2.gz KBPJLPKLVXFGFY-UHFFFAOYSA-N 0 0 312.372 1.274 50 0 DDAARN CCCn1nccc1S(=O)(=O)N1CCc2[nH]nc(C)c2C1 ZINC000670447592 484836132 /nfs/dbraw/zinc/83/61/32/484836132.db2.gz JYOMGGNRVVJWBD-UHFFFAOYSA-N 0 0 309.395 1.072 50 0 DDAARN Cn1cc(C(=O)NCc2ccc3nsnc3c2)ccc1=O ZINC000670450792 484837277 /nfs/dbraw/zinc/83/72/77/484837277.db2.gz WUXVJRYNWONRLY-UHFFFAOYSA-N 0 0 300.343 1.320 50 0 DDAARN CC(C)c1nc(CNC(=O)c2cccc(-n3cnnc3)n2)no1 ZINC000670452386 484838634 /nfs/dbraw/zinc/83/86/34/484838634.db2.gz WLOSETJEAFZZPR-UHFFFAOYSA-N 0 0 313.321 1.099 50 0 DDAARN CCCn1cc(S(=O)(=O)N[C@@H](C)c2nc(CC)no2)cn1 ZINC000670455489 484841199 /nfs/dbraw/zinc/84/11/99/484841199.db2.gz WLBFPIUEWFCPJL-VIFPVBQESA-N 0 0 313.383 1.278 50 0 DDAARN CN(C[C@H]1CCOC1)C(=O)COCc1nc2cc(F)ccc2[nH]1 ZINC000670458638 484843201 /nfs/dbraw/zinc/84/32/01/484843201.db2.gz QEETUTXGOWXLFB-LLVKDONJSA-N 0 0 321.352 1.714 50 0 DDAARN COc1c[nH]c(C(=O)NCCCNc2ccc(C)cn2)cc1=O ZINC000670464603 484846868 /nfs/dbraw/zinc/84/68/68/484846868.db2.gz XRQAFACMENQGKU-UHFFFAOYSA-N 0 0 316.361 1.319 50 0 DDAARN Cc1nc(-c2cccnc2)ncc1C(=O)N[C@H](C)C(C)(C)O ZINC000670471644 484849488 /nfs/dbraw/zinc/84/94/88/484849488.db2.gz RPUOZDMNTMVIRR-LLVKDONJSA-N 0 0 300.362 1.736 50 0 DDAARN CC(=O)NCCC1CCN(S(=O)(=O)CC2CCCC2)CC1 ZINC000670471705 484849938 /nfs/dbraw/zinc/84/99/38/484849938.db2.gz NHCMHCOQCUGWBB-UHFFFAOYSA-N 0 0 316.467 1.745 50 0 DDAARN COc1cccc(CN2CCC[C@H](N3CCOCC3)C2=O)c1 ZINC000075876412 490590473 /nfs/dbraw/zinc/59/04/73/490590473.db2.gz XUZIHLCKBNPOMJ-INIZCTEOSA-N 0 0 304.390 1.518 50 0 DDAARN Cc1noc(CO[C@@H]2CCCN(C(=O)c3ccc(C)nc3)C2)n1 ZINC000169793272 490679055 /nfs/dbraw/zinc/67/90/55/490679055.db2.gz XUHWJAHTCWYPTN-CQSZACIVSA-N 0 0 316.361 1.903 50 0 DDAARN Cc1ccc2c(c1)N(C(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)CC2 ZINC000170071458 490680714 /nfs/dbraw/zinc/68/07/14/490680714.db2.gz FNMJNUMVVPJKLF-IAQYHMDHSA-N 0 0 302.374 1.160 50 0 DDAARN 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324.402 1.182 50 0 DDAARN Cn1nc(C(=O)NCCc2ccncc2)c2ccccc2c1=O ZINC000079502059 407057202 /nfs/dbraw/zinc/05/72/02/407057202.db2.gz ILNORAWDDORIQL-UHFFFAOYSA-N 0 0 308.341 1.301 50 0 DDAARN CC(=O)Nc1nc(C(=O)N(C[C@@H]2CCOC2)C2CC2)cs1 ZINC000046939135 407065849 /nfs/dbraw/zinc/06/58/49/407065849.db2.gz YFFQZVPUPFTLEB-JTQLQIEISA-N 0 0 309.391 1.743 50 0 DDAARN C[C@@H]1CN(C(=O)NCc2nncn2-c2ccccc2)CCO1 ZINC000046965735 407067794 /nfs/dbraw/zinc/06/77/94/407067794.db2.gz XZNPPTNRNPZJCU-GFCCVEGCSA-N 0 0 301.350 1.198 50 0 DDAARN Cc1nc(CN2CCN(C(=O)NC[C@@H]3CCOC3)CC2)cs1 ZINC000047066867 407069539 /nfs/dbraw/zinc/06/95/39/407069539.db2.gz VYKOWBWZHQQYRG-ZDUSSCGKSA-N 0 0 324.450 1.315 50 0 DDAARN CNC(=O)c1cccc(CNC(=O)Nc2cc(C)nn2C)c1 ZINC000047499351 407075112 /nfs/dbraw/zinc/07/51/12/407075112.db2.gz QZAVQWRCNSZEPA-UHFFFAOYSA-N 0 0 301.350 1.410 50 0 DDAARN CCc1cc(C(=O)NCC2(C(N)=O)CCOCC2)sc1C ZINC000047909252 407083022 /nfs/dbraw/zinc/08/30/22/407083022.db2.gz LUDZATDJJQPBOZ-UHFFFAOYSA-N 0 0 310.419 1.631 50 0 DDAARN COc1ccc(NC(=O)NC[C@H](C(C)C)N2CCOCC2)cn1 ZINC000048019361 407086568 /nfs/dbraw/zinc/08/65/68/407086568.db2.gz XNWFQZSVZDTVFY-CQSZACIVSA-N 0 0 322.409 1.569 50 0 DDAARN Cc1nnc([C@H](C)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)o1 ZINC000084291323 407086707 /nfs/dbraw/zinc/08/67/07/407086707.db2.gz LSQWDZVDFXFTTI-WPRPVWTQSA-N 0 0 304.354 1.141 50 0 DDAARN O=C1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C(=O)N1 ZINC000084368119 407088057 /nfs/dbraw/zinc/08/80/57/407088057.db2.gz UCCOQNAEAQYNLV-UHFFFAOYSA-N 0 0 306.709 1.832 50 0 DDAARN COc1cc2c(cc1OC)CN(C(=O)Cn1cc(C)cn1)CC2 ZINC000054916952 407191349 /nfs/dbraw/zinc/19/13/49/407191349.db2.gz JYPDCJMKMSYEJA-UHFFFAOYSA-N 0 0 315.373 1.794 50 0 DDAARN CCc1c(C(=O)N2CCN(C)C[C@H]2C)cnn1-c1ccccn1 ZINC000089282497 407129818 /nfs/dbraw/zinc/12/98/18/407129818.db2.gz YJJWTEQURKIQOH-CYBMUJFWSA-N 0 0 313.405 1.606 50 0 DDAARN COC(=O)C1(NCCn2cnc3ccsc3c2=O)CCCC1 ZINC000089422587 407133524 /nfs/dbraw/zinc/13/35/24/407133524.db2.gz GCIGDMQYORUGFC-UHFFFAOYSA-N 0 0 321.402 1.533 50 0 DDAARN COc1ccc2c(c1)OC[C@@H](C(=O)OCc1nccn1C)C2 ZINC000089488271 407137580 /nfs/dbraw/zinc/13/75/80/407137580.db2.gz VRTMEGCUNHTAPP-LBPRGKRZSA-N 0 0 302.330 1.723 50 0 DDAARN Cn1ncc(N2CCC(O)(C(F)(F)F)CC2)c(Cl)c1=O ZINC000089637309 407141823 /nfs/dbraw/zinc/14/18/23/407141823.db2.gz OILGOHBVECRGGA-UHFFFAOYSA-N 0 0 311.691 1.327 50 0 DDAARN CC(C)(C)[C@H](Cc1ccccc1)NC(=O)CSCC(N)=O ZINC000089621534 407142308 /nfs/dbraw/zinc/14/23/08/407142308.db2.gz SBMVVCKBLWSEIB-ZDUSSCGKSA-N 0 0 308.447 1.979 50 0 DDAARN Cc1noc(COCC(=O)N(CC(F)F)CC2CCC2)n1 ZINC000089721179 407145534 /nfs/dbraw/zinc/14/55/34/407145534.db2.gz SVPLOGSPHZTBRL-UHFFFAOYSA-N 0 0 303.309 1.788 50 0 DDAARN CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000089772317 407148463 /nfs/dbraw/zinc/14/84/63/407148463.db2.gz USXXYXPDNUYIQH-HUUCEWRRSA-N 0 0 300.362 1.955 50 0 DDAARN O=C(NCc1ccc(-c2cccnc2)cc1)N[C@@H]1CCCNC1=O ZINC000089794103 407150103 /nfs/dbraw/zinc/15/01/03/407150103.db2.gz VAYQCNRTHCNLRZ-MRXNPFEDSA-N 0 0 324.384 1.826 50 0 DDAARN O=C(NCc1ncccc1F)N(CCO)Cc1ccccc1 ZINC000089832604 407153115 /nfs/dbraw/zinc/15/31/15/407153115.db2.gz JMYYIORMHJJCGX-UHFFFAOYSA-N 0 0 303.337 1.925 50 0 DDAARN C[C@](O)(CNS(=O)(=O)Cc1ccon1)c1ccsc1 ZINC000089901335 407157079 /nfs/dbraw/zinc/15/70/79/407157079.db2.gz YPJKBRBWZZNBFA-NSHDSACASA-N 0 0 302.377 1.063 50 0 DDAARN C[C@H](Cn1cncn1)NC(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000089904445 407157721 /nfs/dbraw/zinc/15/77/21/407157721.db2.gz ZTWUUVLPDQAQCF-SNVBAGLBSA-N 0 0 321.331 1.713 50 0 DDAARN CN(CC(N)=O)CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000052832116 407159341 /nfs/dbraw/zinc/15/93/41/407159341.db2.gz JOIAEMHVGVCCJN-SFHVURJKSA-N 0 0 317.433 1.841 50 0 DDAARN CCC(=O)N1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000089941605 407160646 /nfs/dbraw/zinc/16/06/46/407160646.db2.gz MFCMBVXHDQMUMM-AWEZNQCLSA-N 0 0 312.373 1.613 50 0 DDAARN C[C@H]1CN(C)CCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000089938720 407160892 /nfs/dbraw/zinc/16/08/92/407160892.db2.gz ZWSWMBMJIRDQMD-LBPRGKRZSA-N 0 0 302.353 1.788 50 0 DDAARN COc1ccccc1N1CCN(Cn2ncn(C)c2=S)CC1 ZINC000053492103 407170458 /nfs/dbraw/zinc/17/04/58/407170458.db2.gz LXCSEYAGAUDSSO-UHFFFAOYSA-N 0 0 319.434 1.739 50 0 DDAARN CC(C)(C)OC(=O)N(CCCNC(=O)c1cnccn1)C1CC1 ZINC000053913414 407176067 /nfs/dbraw/zinc/17/60/67/407176067.db2.gz ABDDRCCTDJDIPD-UHFFFAOYSA-N 0 0 320.393 1.996 50 0 DDAARN CCN1CCN(C(=O)c2cc3cccc(OC)c3oc2=O)CC1 ZINC000054178062 407179011 /nfs/dbraw/zinc/17/90/11/407179011.db2.gz XDRKHINZPISADP-UHFFFAOYSA-N 0 0 316.357 1.579 50 0 DDAARN C[C@@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)C(N)=O ZINC000054277660 407181659 /nfs/dbraw/zinc/18/16/59/407181659.db2.gz CPIPZHBRNOHYAU-LLVKDONJSA-N 0 0 324.340 1.736 50 0 DDAARN O=C(NC[C@@H]1COCCO1)c1csc(Cc2ccccc2)n1 ZINC000054617801 407187233 /nfs/dbraw/zinc/18/72/33/407187233.db2.gz MYXCQNNBYLYDQN-CYBMUJFWSA-N 0 0 318.398 1.879 50 0 DDAARN O=C(Cn1nnnc1C1CCCC1)N1CCc2ccccc2C1 ZINC000054659573 407187852 /nfs/dbraw/zinc/18/78/52/407187852.db2.gz UTCXCJBMMKGZFA-UHFFFAOYSA-N 0 0 311.389 1.916 50 0 DDAARN CCN(Cc1ccccc1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000054799665 407189362 /nfs/dbraw/zinc/18/93/62/407189362.db2.gz IKTXDCCJSNVOEV-UHFFFAOYSA-N 0 0 324.446 1.707 50 0 DDAARN C[C@@H](NC(=O)/C=C\c1cnn(C)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000096256167 407256721 /nfs/dbraw/zinc/25/67/21/407256721.db2.gz JYPLKWUXSOLNCJ-XICOKMJESA-N 0 0 311.345 1.480 50 0 DDAARN CCN1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000096301203 407258730 /nfs/dbraw/zinc/25/87/30/407258730.db2.gz CETXDJBXUOLNDY-AWEZNQCLSA-N 0 0 321.808 1.609 50 0 DDAARN COc1ccc(Cc2noc(CNC(=O)C3CC3)n2)cc1OC ZINC000096405303 407260400 /nfs/dbraw/zinc/26/04/00/407260400.db2.gz RGKNOGXHNBHHAG-UHFFFAOYSA-N 0 0 317.345 1.704 50 0 DDAARN Cc1n[nH]cc1S(=O)(=O)NCc1cccc(-n2ccnc2)c1 ZINC000096406710 407260415 /nfs/dbraw/zinc/26/04/15/407260415.db2.gz SYZAOFZLQBGENS-UHFFFAOYSA-N 0 0 317.374 1.382 50 0 DDAARN CC(C)n1ccc(CN2C(=O)c3ccccc3CS2(=O)=O)n1 ZINC000096408051 407260428 /nfs/dbraw/zinc/26/04/28/407260428.db2.gz IQPYIMTTWXLTEF-UHFFFAOYSA-N 0 0 319.386 1.950 50 0 DDAARN NC(=O)[C@H]1CCCN(C(=O)/C=C\c2cnn(-c3ccccc3)c2)C1 ZINC000096405151 407260474 /nfs/dbraw/zinc/26/04/74/407260474.db2.gz ZJBQNCNGIHTWGJ-CDNLZTBQSA-N 0 0 324.384 1.609 50 0 DDAARN CCCN(Cc1ccc(OC)cc1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000055099621 407195308 /nfs/dbraw/zinc/19/53/08/407195308.db2.gz CEGCQUKKKJLQES-ZDUSSCGKSA-N 0 0 319.361 1.032 50 0 DDAARN Cn1cccc1-c1csc(NC(=O)CCN2CCOC2=O)n1 ZINC000055248367 407198859 /nfs/dbraw/zinc/19/88/59/407198859.db2.gz PTJMKTRLERQCMF-UHFFFAOYSA-N 0 0 320.374 1.929 50 0 DDAARN C[C@H](CNC(=O)CCC(=O)NC1CCCC1)Oc1cccnc1 ZINC000055271557 407199194 /nfs/dbraw/zinc/19/91/94/407199194.db2.gz GTIRNEIDZRVDAS-CYBMUJFWSA-N 0 0 319.405 1.804 50 0 DDAARN Cc1cnn(CC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1 ZINC000055404216 407203446 /nfs/dbraw/zinc/20/34/46/407203446.db2.gz MOYNBQGMVDOBTE-UHFFFAOYSA-N 0 0 300.240 1.537 50 0 DDAARN CNC(=O)[C@H](NC(=O)c1cc(C(C)=O)cn1C)c1ccccc1 ZINC000055547275 407204931 /nfs/dbraw/zinc/20/49/31/407204931.db2.gz AZPCHASDUDQPIB-OAHLLOKOSA-N 0 0 313.357 1.445 50 0 DDAARN Cc1ncc(S(C)(=O)=O)c(NCc2cncn2CC(C)C)n1 ZINC000095356606 407207967 /nfs/dbraw/zinc/20/79/67/407207967.db2.gz FHUJSTFKLAKWNL-UHFFFAOYSA-N 0 0 323.422 1.653 50 0 DDAARN COc1ccc(C(=O)NC[C@H](O)COc2cccc(F)c2)cn1 ZINC000056670961 407210881 /nfs/dbraw/zinc/21/08/81/407210881.db2.gz ZSORCJSXHWHVOL-ZDUSSCGKSA-N 0 0 320.320 1.399 50 0 DDAARN COCCN1CCN(C(=O)[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC000095372012 407211185 /nfs/dbraw/zinc/21/11/85/407211185.db2.gz FWBIEUKCBUGIIH-INIZCTEOSA-N 0 0 323.412 1.219 50 0 DDAARN COC[C@@H](Nc1nc(C)nc2onc(C)c21)c1ccnn1C ZINC000095373294 407211200 /nfs/dbraw/zinc/21/12/00/407211200.db2.gz MRSPSQRDPYCTPA-SNVBAGLBSA-N 0 0 302.338 1.768 50 0 DDAARN CCn1cc(NC(=O)NC[C@H]2COc3ccccc3O2)nn1 ZINC000095531688 407214506 /nfs/dbraw/zinc/21/45/06/407214506.db2.gz GJGWLISWUCREBF-JTQLQIEISA-N 0 0 303.322 1.260 50 0 DDAARN CCCCn1nc(C(=O)NCC(C)(C)CCOC)ccc1=O ZINC000095940108 407215117 /nfs/dbraw/zinc/21/51/17/407215117.db2.gz SARLHIAEUDJQJW-UHFFFAOYSA-N 0 0 309.410 1.836 50 0 DDAARN Cn1cc(C(=O)N2CCN(Cc3cccs3)CC2)ccc1=O ZINC000095949438 407215768 /nfs/dbraw/zinc/21/57/68/407215768.db2.gz HAWQQBHZPDJZRD-UHFFFAOYSA-N 0 0 317.414 1.405 50 0 DDAARN O=C(Nc1ccccn1)C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000095942816 407215991 /nfs/dbraw/zinc/21/59/91/407215991.db2.gz FKNYMFUTHUVDPQ-AWEZNQCLSA-N 0 0 313.357 1.650 50 0 DDAARN CC[C@H](Sc1ccccc1)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000095957362 407216910 /nfs/dbraw/zinc/21/69/10/407216910.db2.gz FVASFKBYMYDFIO-OLZOCXBDSA-N 0 0 308.403 1.270 50 0 DDAARN CN(C)[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1cnn(C)c1 ZINC000095960167 407218141 /nfs/dbraw/zinc/21/81/41/407218141.db2.gz RIEDSUSBOQOLAE-ZDUSSCGKSA-N 0 0 316.361 1.182 50 0 DDAARN Cc1cc(NC(=O)CN2CCN(c3ccccc3O)CC2)no1 ZINC000058163966 407218940 /nfs/dbraw/zinc/21/89/40/407218940.db2.gz FUSFHSUJSQCXOU-UHFFFAOYSA-N 0 0 316.361 1.449 50 0 DDAARN CC(C)[C@H](O)CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000095977356 407219234 /nfs/dbraw/zinc/21/92/34/407219234.db2.gz OWDXESXBUSXBOF-HZPDHXFCSA-N 0 0 318.417 1.701 50 0 DDAARN COC(=O)c1ccc(Cn2cnc3c2ncnc3N(C)C)cc1 ZINC000058341252 407220092 /nfs/dbraw/zinc/22/00/92/407220092.db2.gz HFNMGAZWFIEVEX-UHFFFAOYSA-N 0 0 311.345 1.727 50 0 DDAARN O=C(NCc1ccnc(O[C@H]2CCOC2)c1)NC1CC=CC1 ZINC000095980100 407220078 /nfs/dbraw/zinc/22/00/78/407220078.db2.gz NXLNZUUOKMDTRZ-AWEZNQCLSA-N 0 0 303.362 1.767 50 0 DDAARN Cc1cc(NC(=O)c2nccnc2N)nn1-c1cccc(F)c1 ZINC000095989217 407221087 /nfs/dbraw/zinc/22/10/87/407221087.db2.gz ZCNUHNNRIBAKGH-UHFFFAOYSA-N 0 0 312.308 1.944 50 0 DDAARN COc1ncc(NCc2nc3ccccc3n2C)cc1C(N)=O ZINC000095992369 407222015 /nfs/dbraw/zinc/22/20/15/407222015.db2.gz PEFOICWTDPIIQO-UHFFFAOYSA-N 0 0 311.345 1.688 50 0 DDAARN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000096007788 407223495 /nfs/dbraw/zinc/22/34/95/407223495.db2.gz ZKYXWNQWTVIWJK-CBAPKCEASA-N 0 0 310.297 1.556 50 0 DDAARN CCOc1ccccc1C(=O)NCC(=O)N[C@@H](C)C[C@H](C)O ZINC000096011067 407223611 /nfs/dbraw/zinc/22/36/11/407223611.db2.gz FEYZTXYFQQENSC-RYUDHWBXSA-N 0 0 308.378 1.091 50 0 DDAARN C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CC1 ZINC000061720789 407228804 /nfs/dbraw/zinc/22/88/04/407228804.db2.gz AUMDESSGBURYOQ-ZDUSSCGKSA-N 0 0 316.405 1.185 50 0 DDAARN COCCS(=O)(=O)Nc1cccc(Cn2nc(C)cc2C)c1 ZINC000096414231 407262591 /nfs/dbraw/zinc/26/25/91/407262591.db2.gz RTWCAZGGTSEGPH-UHFFFAOYSA-N 0 0 323.418 1.936 50 0 DDAARN COC(=O)c1ccc(C)c(NC(=O)NCCCn2ccnn2)c1 ZINC000096131726 407239962 /nfs/dbraw/zinc/23/99/62/407239962.db2.gz WPAXTFQVINSYLH-UHFFFAOYSA-N 0 0 317.349 1.585 50 0 DDAARN CN1C(=O)[C@](C)(C(=O)NCc2cccs2)Oc2cccnc21 ZINC000065241800 407240617 /nfs/dbraw/zinc/24/06/17/407240617.db2.gz PVXCRVFGAKAJJX-HNNXBMFYSA-N 0 0 317.370 1.573 50 0 DDAARN O=C(c1ccccn1)N1CCN(c2ncnc3c2CCC3)CC1 ZINC000065288186 407241919 /nfs/dbraw/zinc/24/19/19/407241919.db2.gz UOTLAJVQEKIYGI-UHFFFAOYSA-N 0 0 309.373 1.323 50 0 DDAARN CC[C@H](C(N)=O)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000065362294 407241960 /nfs/dbraw/zinc/24/19/60/407241960.db2.gz SLMQHHFWLBIRBC-SECBINFHSA-N 0 0 320.798 1.379 50 0 DDAARN NC(=O)[C@H]1CCN(C(=O)/C=C\c2c(Cl)nc3ccccn23)C1 ZINC000096179217 407243916 /nfs/dbraw/zinc/24/39/16/407243916.db2.gz GQCZYHXFRKYJKT-LWTINBJPSA-N 0 0 318.764 1.335 50 0 DDAARN O=C(NO[C@@H]1CCCCO1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000065513212 407244388 /nfs/dbraw/zinc/24/43/88/407244388.db2.gz PXEWHLBWUHXYJN-TZMCWYRMSA-N 0 0 306.366 1.267 50 0 DDAARN COc1ccnc(N2CCN(C(=O)CC[C@@H]3CCCO3)CC2)n1 ZINC000065614899 407245320 /nfs/dbraw/zinc/24/53/20/407245320.db2.gz JHPXXAJTCJMZMJ-ZDUSSCGKSA-N 0 0 320.393 1.093 50 0 DDAARN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cccc(F)c1F ZINC000096420333 407263356 /nfs/dbraw/zinc/26/33/56/407263356.db2.gz JPPJQGQRGUNTIR-CABZTGNLSA-N 0 0 312.316 1.571 50 0 DDAARN COc1nc(C)ccc1CNC(=O)C(=O)N(C)c1ccccc1 ZINC000066221362 407247074 /nfs/dbraw/zinc/24/70/74/407247074.db2.gz WMRHGBYBNMLYEV-UHFFFAOYSA-N 0 0 313.357 1.678 50 0 DDAARN CCc1ccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)o1 ZINC000096420424 407262916 /nfs/dbraw/zinc/26/29/16/407262916.db2.gz VPXWGFGLBYLTDW-UHFFFAOYSA-N 0 0 311.363 1.335 50 0 DDAARN CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)NCCOC)C1 ZINC000096211821 407250718 /nfs/dbraw/zinc/25/07/18/407250718.db2.gz XNSJDJIBSXXXIU-LSDHHAIUSA-N 0 0 322.380 1.540 50 0 DDAARN COc1ccc(CNc2c(=O)c(=O)c2NCc2ccccn2)cc1 ZINC000101696962 407315206 /nfs/dbraw/zinc/31/52/06/407315206.db2.gz YPTPPDKITGWSTC-UHFFFAOYSA-N 0 0 323.352 1.910 50 0 DDAARN Cc1nc2sccn2c1C(=O)NCC1=CSC2=NCCN12 ZINC000102533586 407324019 /nfs/dbraw/zinc/32/40/19/407324019.db2.gz DDWFKBIMXUOWCU-UHFFFAOYSA-N 0 0 319.415 1.694 50 0 DDAARN CC(=O)[C@@H]1[C@H](c2cccc(C)c2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000102824036 407328124 /nfs/dbraw/zinc/32/81/24/407328124.db2.gz UCQANRNMCGXMLU-NTZNESFSSA-N 0 0 316.279 1.805 50 0 DDAARN COCC[C@@H](C)NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000096425099 407264184 /nfs/dbraw/zinc/26/41/84/407264184.db2.gz VRUPCUFKECYRQT-CJNGLKHVSA-N 0 0 324.396 1.740 50 0 DDAARN CCn1cc(S(=O)(=O)NC[C@@H](OC)c2ccccc2)cn1 ZINC000096428742 407264974 /nfs/dbraw/zinc/26/49/74/407264974.db2.gz RWTXVFJICDKQGH-CQSZACIVSA-N 0 0 309.391 1.569 50 0 DDAARN CCN(C1CCN(c2cccc(F)n2)CC1)S(C)(=O)=O ZINC000096429453 407265137 /nfs/dbraw/zinc/26/51/37/407265137.db2.gz OWCWHYZKZKREGC-UHFFFAOYSA-N 0 0 301.387 1.471 50 0 DDAARN O=C(N[C@H]1C[C@@H]1C1CCCCC1)N1CCS(=O)(=O)CC1 ZINC000096440837 407266759 /nfs/dbraw/zinc/26/67/59/407266759.db2.gz QRBAULCMCFUHQY-OLZOCXBDSA-N 0 0 300.424 1.395 50 0 DDAARN C[S@@](=O)C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccccc1 ZINC000096445390 407267327 /nfs/dbraw/zinc/26/73/27/407267327.db2.gz ZKOFIIVNOJQABW-ZSEKCTLFSA-N 0 0 304.371 1.225 50 0 DDAARN Cc1nc(COc2ccc(OCCN3CCOCC3)cc2)no1 ZINC000067098448 407267316 /nfs/dbraw/zinc/26/73/16/407267316.db2.gz XJVMVOHQLMZYCP-UHFFFAOYSA-N 0 0 319.361 1.668 50 0 DDAARN Cc1occc1C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000096443217 407267453 /nfs/dbraw/zinc/26/74/53/407267453.db2.gz CXMUCTNMFJXSKM-CQSZACIVSA-N 0 0 320.389 1.832 50 0 DDAARN CN1N=C(C(=O)Nc2ncccc2Br)CCC1=O ZINC000096449124 407268220 /nfs/dbraw/zinc/26/82/20/407268220.db2.gz OTEPPXLVQIECCE-UHFFFAOYSA-N 0 0 311.139 1.391 50 0 DDAARN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(-n2cccn2)ccn1 ZINC000096449513 407268266 /nfs/dbraw/zinc/26/82/66/407268266.db2.gz GYWQMCNLDVQVPN-DLBZAZTESA-N 0 0 320.352 1.655 50 0 DDAARN CS(=O)(=O)CC1(CNC(=O)c2cc(F)ccc2F)CC1 ZINC000096450172 407268669 /nfs/dbraw/zinc/26/86/69/407268669.db2.gz IHASHSCEIQBXCG-UHFFFAOYSA-N 0 0 303.330 1.519 50 0 DDAARN NC(=O)c1nccnc1C(=O)N1CCC(=Cc2ccccc2)CC1 ZINC000096454722 407269131 /nfs/dbraw/zinc/26/91/31/407269131.db2.gz PKBIWTITBLMCJU-UHFFFAOYSA-N 0 0 322.368 1.895 50 0 DDAARN COC[C@@](C)(NS(=O)(=O)c1cnn(C)c1)c1ccccc1 ZINC000096456758 407270202 /nfs/dbraw/zinc/27/02/02/407270202.db2.gz DKHSDWOURJQULD-CQSZACIVSA-N 0 0 309.391 1.260 50 0 DDAARN Cc1cc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)c(Cl)cc1F ZINC000096472691 407270696 /nfs/dbraw/zinc/27/06/96/407270696.db2.gz OFHXPLGWUSTASW-SNVBAGLBSA-N 0 0 320.773 1.297 50 0 DDAARN Nc1nccnc1C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000096474205 407270952 /nfs/dbraw/zinc/27/09/52/407270952.db2.gz WIZHNENEAKLMSQ-GFCCVEGCSA-N 0 0 302.334 1.473 50 0 DDAARN CN(CC(C)(CO)CO)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000096485762 407271381 /nfs/dbraw/zinc/27/13/81/407271381.db2.gz TYIKLKHIXXKTKQ-UHFFFAOYSA-N 0 0 306.284 1.559 50 0 DDAARN COc1cccc2c1CCCCN2C(=O)c1ccc(=O)n(C)n1 ZINC000096484070 407271772 /nfs/dbraw/zinc/27/17/72/407271772.db2.gz LWNGSKOIZBZYKR-UHFFFAOYSA-N 0 0 313.357 1.772 50 0 DDAARN C[C@H]1CN(C(=O)NCC[C@@H]2CCCO2)CCN1CC(F)(F)F ZINC000096485865 407271844 /nfs/dbraw/zinc/27/18/44/407271844.db2.gz YIJSQNRICBDYJU-RYUDHWBXSA-N 0 0 323.359 1.834 50 0 DDAARN CCN(C)S(=O)(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000096483523 407271847 /nfs/dbraw/zinc/27/18/47/407271847.db2.gz VRZIOMZOFDPVMU-AWEZNQCLSA-N 0 0 314.451 1.804 50 0 DDAARN Cc1noc(CNC(=O)N2CCCN(c3ccccn3)CC2)n1 ZINC000096503006 407273199 /nfs/dbraw/zinc/27/31/99/407273199.db2.gz WOEVFQFALXFKLR-UHFFFAOYSA-N 0 0 316.365 1.195 50 0 DDAARN OCCOCCN1CCc2c(Br)ccc(F)c2C1 ZINC000096502776 407273497 /nfs/dbraw/zinc/27/34/97/407273497.db2.gz MCYSYGCFXCRRDW-UHFFFAOYSA-N 0 0 318.186 1.955 50 0 DDAARN CNC(=O)[C@H](C)CNC(=O)c1cc(COc2ccccc2)n[nH]1 ZINC000067472703 407274951 /nfs/dbraw/zinc/27/49/51/407274951.db2.gz DWVTWDFOQCWKQD-LLVKDONJSA-N 0 0 316.361 1.101 50 0 DDAARN CCN1C[C@H](C(=O)Nc2csc(N3CCCCC3)n2)CC1=O ZINC000097047358 407276588 /nfs/dbraw/zinc/27/65/88/407276588.db2.gz AFZVCKYCWSELMK-LLVKDONJSA-N 0 0 322.434 1.940 50 0 DDAARN Cc1nc(C[C@@H]2CCCN(c3cn[nH]c(=O)c3Cl)C2)no1 ZINC000097047811 407277193 /nfs/dbraw/zinc/27/71/93/407277193.db2.gz LGXQNCPVEJATRV-VIFPVBQESA-N 0 0 309.757 1.986 50 0 DDAARN Cc1cc(C(=O)NCc2ccco2)ccc1N(C)S(C)(=O)=O ZINC000067620918 407277844 /nfs/dbraw/zinc/27/78/44/407277844.db2.gz DMMNNGUSXFGCHS-UHFFFAOYSA-N 0 0 322.386 1.914 50 0 DDAARN O=C(Cn1cnnn1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000097055873 407278110 /nfs/dbraw/zinc/27/81/10/407278110.db2.gz ZCNRKOQMYHWXIG-JTQLQIEISA-N 0 0 321.209 1.371 50 0 DDAARN Cc1ccc(Cl)c(S(=O)(=O)NCCCCC(N)=O)c1 ZINC000097081413 407278896 /nfs/dbraw/zinc/27/88/96/407278896.db2.gz YEZLCNDHVAAKEA-UHFFFAOYSA-N 0 0 304.799 1.582 50 0 DDAARN CC(=O)c1ccc(S(C)(=O)=O)c(N(C)Cc2nccn2C)c1 ZINC000097082356 407278976 /nfs/dbraw/zinc/27/89/76/407278976.db2.gz GKNKBMACVQGFJV-UHFFFAOYSA-N 0 0 321.402 1.663 50 0 DDAARN CC(C)(C)c1cc(CNc2nccc(N3CC[C@@H](O)C3)n2)[nH]n1 ZINC000067678723 407279783 /nfs/dbraw/zinc/27/97/83/407279783.db2.gz UEYASQRHDSJPRM-GFCCVEGCSA-N 0 0 316.409 1.680 50 0 DDAARN Cc1noc(C)c1CN(C)Cc1cnc(N2CCOCC2)nc1 ZINC000067688462 407279873 /nfs/dbraw/zinc/27/98/73/407279873.db2.gz VEIDDNOPKUEVCV-UHFFFAOYSA-N 0 0 317.393 1.550 50 0 DDAARN COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(OC(F)F)cc1 ZINC000097099927 407280595 /nfs/dbraw/zinc/28/05/95/407280595.db2.gz PTQVABLGFMCYRQ-ZYHUDNBSSA-N 0 0 301.289 1.396 50 0 DDAARN Cc1ccn(-c2ccc(N[C@H](C)c3nnc4n3CCC4)nn2)n1 ZINC000097115244 407280991 /nfs/dbraw/zinc/28/09/91/407280991.db2.gz FXJHANDFWXXFRR-LLVKDONJSA-N 0 0 310.365 1.682 50 0 DDAARN CN(C(=O)c1ccc(-n2ccnn2)cc1)[C@H](CO)C(C)(C)C ZINC000097112956 407281252 /nfs/dbraw/zinc/28/12/52/407281252.db2.gz DTFPAPPDCMFQLD-CQSZACIVSA-N 0 0 302.378 1.746 50 0 DDAARN CCc1csc(CNC(=O)c2ccc(NCCCO)nc2)n1 ZINC000067741686 407282076 /nfs/dbraw/zinc/28/20/76/407282076.db2.gz PDNRGOVFNRCCAU-UHFFFAOYSA-N 0 0 320.418 1.825 50 0 DDAARN Cc1cccc(NC(=O)N2CCN(c3cnn(C)c3)CC2)n1 ZINC000097142762 407282893 /nfs/dbraw/zinc/28/28/93/407282893.db2.gz JCNRJKFILQINRT-UHFFFAOYSA-N 0 0 300.366 1.478 50 0 DDAARN Cc1ccc(CC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)cn1 ZINC000097146947 407283322 /nfs/dbraw/zinc/28/33/22/407283322.db2.gz JLCIHUMJWYSQAL-OAHLLOKOSA-N 0 0 301.321 1.414 50 0 DDAARN CSc1cncc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1 ZINC000097162957 407284047 /nfs/dbraw/zinc/28/40/47/407284047.db2.gz AXOBQYLHVQFAFI-CQSZACIVSA-N 0 0 305.407 1.684 50 0 DDAARN Cn1cc(Cl)cc1C(=O)NCCc1nnc2n1CCCC2 ZINC000097164361 407284516 /nfs/dbraw/zinc/28/45/16/407284516.db2.gz AYVQYSWXSAISDX-UHFFFAOYSA-N 0 0 307.785 1.579 50 0 DDAARN Cc1cc(C)n([C@@H](C)C(=O)N(C)CC2(CO)CCOCC2)n1 ZINC000067774805 407284597 /nfs/dbraw/zinc/28/45/97/407284597.db2.gz GCBDRCJJUOXHFM-AWEZNQCLSA-N 0 0 309.410 1.308 50 0 DDAARN CCc1nc(C)c(CN2CCC[C@H](CNS(C)(=O)=O)C2)[nH]1 ZINC000067804913 407285831 /nfs/dbraw/zinc/28/58/31/407285831.db2.gz RMPBADDIXMGEFN-GFCCVEGCSA-N 0 0 314.455 1.042 50 0 DDAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1cnc3ccccc3n1)C2 ZINC000097198894 407285823 /nfs/dbraw/zinc/28/58/23/407285823.db2.gz XQGDFJJMKJKDHU-GFCCVEGCSA-N 0 0 307.357 1.880 50 0 DDAARN CCc1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)OCO3)CC2 ZINC000097198416 407285972 /nfs/dbraw/zinc/28/59/72/407285972.db2.gz VJVYJIBWQRDWNN-NSHDSACASA-N 0 0 314.345 1.314 50 0 DDAARN COc1ccc(-c2nnc(CN3CCn4ccnc4C3)o2)cc1 ZINC000097201362 407286333 /nfs/dbraw/zinc/28/63/33/407286333.db2.gz ZTVORYPFGLIQIC-UHFFFAOYSA-N 0 0 311.345 1.958 50 0 DDAARN OCCn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1 ZINC000097200255 407286642 /nfs/dbraw/zinc/28/66/42/407286642.db2.gz GSKPHGPIFYTVJP-UHFFFAOYSA-N 0 0 324.388 1.145 50 0 DDAARN Cc1cc(=O)[nH]c(NCCn2cc([C@@H](C)c3ccccc3)nn2)n1 ZINC000067842853 407287629 /nfs/dbraw/zinc/28/76/29/407287629.db2.gz CCZNTQMPUVKBHV-ZDUSSCGKSA-N 0 0 324.388 1.934 50 0 DDAARN Cc1cccn2c(=O)cc(CSCCN3CCOCC3)nc12 ZINC000097230143 407288128 /nfs/dbraw/zinc/28/81/28/407288128.db2.gz VZAYTJZFDUCXLC-UHFFFAOYSA-N 0 0 319.430 1.568 50 0 DDAARN CCc1nc([C@@H]2CCCN(C(=O)c3ccnc(C)n3)C2)no1 ZINC000067883434 407288980 /nfs/dbraw/zinc/28/89/80/407288980.db2.gz SXHXMQGNCZEXNN-LLVKDONJSA-N 0 0 301.350 1.750 50 0 DDAARN CCCCn1nc(C2CCOCC2)nc1CCC(=O)N(C)C ZINC000097244100 407289434 /nfs/dbraw/zinc/28/94/34/407289434.db2.gz LTQFOXBQNXCZML-UHFFFAOYSA-N 0 0 308.426 1.993 50 0 DDAARN CCC1=NO[C@@H](CNC(=O)c2cc3c(nc2OC)CCC3)C1 ZINC000097347233 407291528 /nfs/dbraw/zinc/29/15/28/407291528.db2.gz DYLRFXQNZLUTPW-GFCCVEGCSA-N 0 0 303.362 1.864 50 0 DDAARN CCOc1ccc(CN2CCN(c3nccnc3C)CC2)cn1 ZINC000067966800 407291662 /nfs/dbraw/zinc/29/16/62/407291662.db2.gz OUVOOKNEDZVWPQ-UHFFFAOYSA-N 0 0 313.405 1.901 50 0 DDAARN O=C([O-])[C@@H]1Cc2nc[nH]c2C[N@@H+]1CCn1cnc2ccccc21 ZINC000097393918 407292778 /nfs/dbraw/zinc/29/27/78/407292778.db2.gz DGBQEHQCAVWGQG-HNNXBMFYSA-N 0 0 311.345 1.271 50 0 DDAARN COC(=O)Cc1cc(C2CCN(c3nccnc3C)CC2)n[nH]1 ZINC000067973660 407293085 /nfs/dbraw/zinc/29/30/85/407293085.db2.gz XXSPLWZJXDOLHH-UHFFFAOYSA-N 0 0 315.377 1.608 50 0 DDAARN CC[C@H](C(=O)NCCc1c[nH]cn1)N1Cc2ccccc2C1=O ZINC000097495085 407298582 /nfs/dbraw/zinc/29/85/82/407298582.db2.gz GHUBBATXAWLWQS-OAHLLOKOSA-N 0 0 312.373 1.503 50 0 DDAARN CC[C@@H](C(=O)NCCc1c[nH]cn1)N1Cc2ccccc2C1=O ZINC000097495084 407298845 /nfs/dbraw/zinc/29/88/45/407298845.db2.gz GHUBBATXAWLWQS-HNNXBMFYSA-N 0 0 312.373 1.503 50 0 DDAARN COCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)s1 ZINC000097499603 407299305 /nfs/dbraw/zinc/29/93/05/407299305.db2.gz 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Cc1cn2nc(NCCC(=O)N3C[C@@H](C)O[C@H](C)C3)sc2n1 ZINC000052445352 183860592 /nfs/dbraw/zinc/86/05/92/183860592.db2.gz RJOIHSXRONVYRW-GHMZBOCLSA-N 0 0 323.422 1.537 50 0 DDAARN CC(C)c1nc(CSc2nnc(C3CC3)n2CC(N)=O)no1 ZINC000052891882 183878785 /nfs/dbraw/zinc/87/87/85/183878785.db2.gz UEAXWDYINFKHPH-UHFFFAOYSA-N 0 0 322.394 1.440 50 0 DDAARN CC(C)Oc1cccc(CC(=O)N2CCNC(=O)C2(C)C)c1 ZINC000110709243 194352687 /nfs/dbraw/zinc/35/26/87/194352687.db2.gz QMMPFRRQZBKWSR-UHFFFAOYSA-N 0 0 304.390 1.753 50 0 DDAARN C[C@@H](CO)CNC(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000054536559 183943886 /nfs/dbraw/zinc/94/38/86/183943886.db2.gz XKXOGUGUTALZDY-SNVBAGLBSA-N 0 0 312.341 1.162 50 0 DDAARN O=C(c1ccnc(-n2cncn2)c1)N1CCc2sccc2C1 ZINC000054673516 183948061 /nfs/dbraw/zinc/94/80/61/183948061.db2.gz KAZFCOZXZCXWQO-UHFFFAOYSA-N 0 0 311.370 1.922 50 0 DDAARN Cc1nsc(NC(=O)N2CCC(C(=O)N3CCCC3)CC2)n1 ZINC000055369239 183982179 /nfs/dbraw/zinc/98/21/79/183982179.db2.gz UNSBZIQSBOSGEV-UHFFFAOYSA-N 0 0 323.422 1.713 50 0 DDAARN C[C@H](c1cccc(F)c1)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000056494228 184013739 /nfs/dbraw/zinc/01/37/39/184013739.db2.gz FLSQQPUMSSJZNJ-GFCCVEGCSA-N 0 0 319.380 1.310 50 0 DDAARN COc1ccc(NC(=O)CN2CSCC2=O)c2cccnc12 ZINC000056305080 184009974 /nfs/dbraw/zinc/00/99/74/184009974.db2.gz PRLNPBWEQLAJAY-UHFFFAOYSA-N 0 0 317.370 1.715 50 0 DDAARN C[C@@H](NC(=O)N1CCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000056328670 184010209 /nfs/dbraw/zinc/01/02/09/184010209.db2.gz XBFGUGKNCQKLAV-LLVKDONJSA-N 0 0 311.407 1.925 50 0 DDAARN O=C(C[C@H]1CCCO1)NCc1cccc(N2CCOC2=O)c1 ZINC000056964585 184022467 /nfs/dbraw/zinc/02/24/67/184022467.db2.gz XXVXXKALICTTFQ-CQSZACIVSA-N 0 0 304.346 1.829 50 0 DDAARN CCN1CCN(C(=O)CN2c3ccccc3C(C)(C)C2=O)CC1 ZINC000057355627 184035630 /nfs/dbraw/zinc/03/56/30/184035630.db2.gz QALQLBAHHOKKPX-UHFFFAOYSA-N 0 0 315.417 1.475 50 0 DDAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)c(=N)oc21 ZINC000057523760 184040898 /nfs/dbraw/zinc/04/08/98/184040898.db2.gz BUUSWVPHYCOIHD-LLVKDONJSA-N 0 0 302.330 1.830 50 0 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50 0 DDAARN COCc1cn([C@@H]2CCN(C(=O)Cc3ccccc3C)C2)nn1 ZINC000675016841 737519452 /nfs/dbraw/zinc/51/94/52/737519452.db2.gz MYSWJKMXHPZOOO-MRXNPFEDSA-N 0 0 314.389 1.749 50 0 DDAARN COc1cccc(S(=O)(=O)N2CC[C@]3(CCC(=O)N3C)C2)c1 ZINC000675016940 737519505 /nfs/dbraw/zinc/51/95/05/737519505.db2.gz HSHLZZKPNJWOHM-OAHLLOKOSA-N 0 0 324.402 1.081 50 0 DDAARN COCc1nc([C@@]2(C)CCCN(C(=O)c3ccncc3)C2)no1 ZINC000675025572 737525533 /nfs/dbraw/zinc/52/55/33/737525533.db2.gz CTSCCJQMZVUYBI-INIZCTEOSA-N 0 0 316.361 1.805 50 0 DDAARN CCn1nnc2cc(C(=O)N3CCNC[C@H]3C(F)F)ccc21 ZINC000585088546 739371006 /nfs/dbraw/zinc/37/10/06/739371006.db2.gz LTGJQWGEIFOGGT-LBPRGKRZSA-N 0 0 309.320 1.130 50 0 DDAARN CN(C)C(=O)[C@H]1CN(C(=O)C2CCCCC2)CC12CCOCC2 ZINC000169748667 744187702 /nfs/dbraw/zinc/18/77/02/744187702.db2.gz ROLXQRKUNVSKIT-OAHLLOKOSA-N 0 0 322.449 1.910 50 0 DDAARN O=C([O-])[C@H]1CN(C(=O)C2CC2)CC[N@H+](Cc2cccs2)C1 ZINC000097553255 751277503 /nfs/dbraw/zinc/27/75/03/751277503.db2.gz XCGKLWGRJHEPHW-GFCCVEGCSA-N 0 0 308.403 1.503 50 0 DDAARN CC1CCN(S(=O)(=O)NCCCC[C@@H]2CCCO2)CC1 ZINC000822425752 758208146 /nfs/dbraw/zinc/20/81/46/758208146.db2.gz UVZWRKOZYKNAEJ-CQSZACIVSA-N 0 0 304.456 1.902 50 0 DDAARN CCN(CC)S(=O)(=O)NCCc1nc2c(cccc2C)[nH]1 ZINC000823086687 758271490 /nfs/dbraw/zinc/27/14/90/758271490.db2.gz UFFRSZGZIPAKDD-UHFFFAOYSA-N 0 0 310.423 1.590 50 0 DDAARN COCCn1cnnc1CN(C)[C@@H](C)Cn1nc(C)cc1C ZINC000824463858 759180687 /nfs/dbraw/zinc/18/06/87/759180687.db2.gz GHIJQTYILKNSBP-AWEZNQCLSA-N 0 0 306.414 1.258 50 0 DDAARN COc1ccc(OC)c(NC(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)c1 ZINC000824732156 759199686 /nfs/dbraw/zinc/19/96/86/759199686.db2.gz MHGDEBBLPKQADI-VXGBXAGGSA-N 0 0 319.361 1.645 50 0 DDAARN COc1cccc2c1OCC(CN1CCN3C(=O)OC[C@H]3C1)=C2 ZINC000824801284 759208619 /nfs/dbraw/zinc/20/86/19/759208619.db2.gz IBUUWCJACTZEQS-CQSZACIVSA-N 0 0 316.357 1.607 50 0 DDAARN C[C@H](c1ccncn1)N(C)C(=O)CCN1CCCCCC1=O ZINC000827868454 759391755 /nfs/dbraw/zinc/39/17/55/759391755.db2.gz SLTUODOMFYCYQV-CYBMUJFWSA-N 0 0 304.394 1.789 50 0 DDAARN O=C(CCn1cnnc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000828057146 759464812 /nfs/dbraw/zinc/46/48/12/759464812.db2.gz BKMOEAVNEHSPHC-HNNXBMFYSA-N 0 0 316.361 1.865 50 0 DDAARN CC(=O)c1[nH]c(C)c(C(=O)NCc2nnc3n2CCC3)c1C ZINC000828133630 759495890 /nfs/dbraw/zinc/49/58/90/759495890.db2.gz DRQCDPUEBKZYTN-UHFFFAOYSA-N 0 0 301.350 1.302 50 0 DDAARN CSc1ccc(S(=O)(=O)NC[C@@](C)(O)CCCO)cc1 ZINC000828747878 759762851 /nfs/dbraw/zinc/76/28/51/759762851.db2.gz FGVZXBXNJDIUOW-ZDUSSCGKSA-N 0 0 319.448 1.210 50 0 DDAARN Cn1ncc(N2CC[C@@H](C(=O)Nc3cccc(F)c3)C2)cc1=O ZINC000581792507 761710806 /nfs/dbraw/zinc/71/08/06/761710806.db2.gz JEHOXKHBTOJPQT-LLVKDONJSA-N 0 0 316.336 1.384 50 0 DDAARN COCc1nc([C@H]2CCN(C(=O)NCc3ccccc3)C2)no1 ZINC000581795499 761712763 /nfs/dbraw/zinc/71/27/63/761712763.db2.gz NNCPSNFFNDCBRQ-ZDUSSCGKSA-N 0 0 316.361 1.915 50 0 DDAARN COCc1ncc(C)n1[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC000581808225 761716935 /nfs/dbraw/zinc/71/69/35/761716935.db2.gz YOEQLOUNXOAGBW-AWEZNQCLSA-N 0 0 317.393 1.549 50 0 DDAARN COc1ccc(C(=O)N2CC(C3CCC3)C2)cc1OCCO ZINC000585082238 771928172 /nfs/dbraw/zinc/92/81/72/771928172.db2.gz JUELOZJHOOPCNW-UHFFFAOYSA-N 0 0 305.374 1.938 50 0 DDAARN CS(C)(=O)=NS(=O)(=O)N[C@H]1CCCc2ccccc21 ZINC000585086208 771934511 /nfs/dbraw/zinc/93/45/11/771934511.db2.gz FBQLAVNOBIMHEB-LBPRGKRZSA-N 0 0 302.421 1.626 50 0 DDAARN COC(OC)[C@H](NC(=O)COC[C@H]1CCCO1)c1ccccc1 ZINC000585091011 771942366 /nfs/dbraw/zinc/94/23/66/771942366.db2.gz LKZUBFCAIWQAAF-GDBMZVCRSA-N 0 0 323.389 1.658 50 0 DDAARN COC(OC)[C@@H](C)NS(=O)(=O)c1cnc2ccsc2c1 ZINC000585114642 771947222 /nfs/dbraw/zinc/94/72/22/771947222.db2.gz PLLVSHKCMZJSSX-MRVPVSSYSA-N 0 0 316.404 1.582 50 0 DDAARN C[C@H]1Cc2cnccc2N1S(=O)(=O)c1ncn(C)c1Cl ZINC000585122451 771953780 /nfs/dbraw/zinc/95/37/80/771953780.db2.gz IQNRMIULXBYAFX-QMMMGPOBSA-N 0 0 312.782 1.608 50 0 DDAARN COc1cc(NC(=O)COC[C@@H]2CCCO2)cc(Cl)n1 ZINC000585124420 771955401 /nfs/dbraw/zinc/95/54/01/771955401.db2.gz CMVOBCBVAXHWSH-JTQLQIEISA-N 0 0 300.742 1.878 50 0 DDAARN C=CC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000585124691 771955850 /nfs/dbraw/zinc/95/58/50/771955850.db2.gz NAUPGQDSQFEOBE-LBPRGKRZSA-N 0 0 322.405 1.354 50 0 DDAARN O=C(NCCOC1CCCCCC1)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000585129608 771961735 /nfs/dbraw/zinc/96/17/35/771961735.db2.gz PHCDLRCRUPXVMW-HUUCEWRRSA-N 0 0 322.409 1.443 50 0 DDAARN CCCN(CCC)C(=O)CCC(=O)N1CCc2cncnc21 ZINC000585138121 771966632 /nfs/dbraw/zinc/96/66/32/771966632.db2.gz PBYVBVMWGXGYNV-UHFFFAOYSA-N 0 0 304.394 1.795 50 0 DDAARN CCc1ccccc1S(=O)(=O)NCc1cccc(CO)n1 ZINC000585137910 771966725 /nfs/dbraw/zinc/96/67/25/771966725.db2.gz AANKVQQWYZBOAW-UHFFFAOYSA-N 0 0 306.387 1.615 50 0 DDAARN O=c1cc2c(nn1CC1CN(c3ncnc4c3CCC4)C1)CCC2 ZINC000585604368 773684602 /nfs/dbraw/zinc/68/46/02/773684602.db2.gz JAJGVWKCHJGVOE-UHFFFAOYSA-N 0 0 323.400 1.147 50 0 DDAARN COc1cccc(C(=O)N2CCC(NC(=O)NC3CC3)CC2)c1 ZINC000586101032 773753687 /nfs/dbraw/zinc/75/36/87/773753687.db2.gz HHLLTZITSQQSNN-UHFFFAOYSA-N 0 0 317.389 1.761 50 0 DDAARN CC(C)(CS(C)(=O)=O)C(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000952845549 775569006 /nfs/dbraw/zinc/56/90/06/775569006.db2.gz STQMNNSILAWKRG-CQSZACIVSA-N 0 0 303.424 1.086 50 0 DDAARN Cc1ncsc1C(=O)NCC1CCN(c2cnsn2)CC1 ZINC000952870324 775601388 /nfs/dbraw/zinc/60/13/88/775601388.db2.gz WGYFSCFOHSSTRL-UHFFFAOYSA-N 0 0 323.447 1.949 50 0 DDAARN CCCn1c(C)nc2cc(NC(=O)[C@H]3CCC(=O)N3)ccc21 ZINC000952869659 775601991 /nfs/dbraw/zinc/60/19/91/775601991.db2.gz MUCHKIVFTYGKEL-GFCCVEGCSA-N 0 0 300.362 1.972 50 0 DDAARN COc1ccc(-n2cnnc2)cc1NC(=O)c1snnc1C ZINC000952867111 775653961 /nfs/dbraw/zinc/65/39/61/775653961.db2.gz IWUWBEHLBALKCK-UHFFFAOYSA-N 0 0 316.346 1.688 50 0 DDAARN CC(C)CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095474179 185372913 /nfs/dbraw/zinc/37/29/13/185372913.db2.gz VZXZPGXQVMPTQF-LLVKDONJSA-N 0 0 300.362 1.688 50 0 DDAARN CCN1CCC[C@@H]1CNC(=O)c1sc2[nH]cnc(=O)c2c1C ZINC000095478794 185373634 /nfs/dbraw/zinc/37/36/34/185373634.db2.gz ZRUCYOWMUTUVGU-SNVBAGLBSA-N 0 0 320.418 1.507 50 0 DDAARN O=C(NCCN1CCCOC1=O)[C@@H]1COc2ccccc2C1 ZINC000095522475 185377359 /nfs/dbraw/zinc/37/73/59/185377359.db2.gz JQVDZDZDOMSDMH-ZDUSSCGKSA-N 0 0 304.346 1.196 50 0 DDAARN Cn1cc(/C=C/C(=O)N2CCCS2(=O)=O)c2ccccc21 ZINC000076823106 185045444 /nfs/dbraw/zinc/04/54/44/185045444.db2.gz WWNAHTHBOIWMLU-BQYQJAHWSA-N 0 0 304.371 1.754 50 0 DDAARN Cc1ccccc1[C@H](C(=O)NCCCn1cnnc1)N(C)C ZINC000095524658 185377782 /nfs/dbraw/zinc/37/77/82/185377782.db2.gz WVSLSFUNIGKNGF-OAHLLOKOSA-N 0 0 301.394 1.396 50 0 DDAARN COCc1nc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)cs1 ZINC000078892480 185124382 /nfs/dbraw/zinc/12/43/82/185124382.db2.gz WZWMBAPOPNWODS-LLVKDONJSA-N 0 0 309.395 1.290 50 0 DDAARN COc1nccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000278642854 214296606 /nfs/dbraw/zinc/29/66/06/214296606.db2.gz PCXWTTXRDYFUFR-LLVKDONJSA-N 0 0 302.338 1.967 50 0 DDAARN CC[C@@H](OC1CCCC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000079038647 185148090 /nfs/dbraw/zinc/14/80/90/185148090.db2.gz WHDHFECIZLWVJE-DGCLKSJQSA-N 0 0 303.424 1.370 50 0 DDAARN CCOC(=O)/C(C#N)=C/C=C1/C=CN(CC(N)=O)c2ccccc21 ZINC000000985353 539029082 /nfs/dbraw/zinc/02/90/82/539029082.db2.gz KSRZOXMAIJBWQD-MFUUIURDSA-N 0 0 323.352 1.902 50 0 DDAARN Cn1c(=O)cc(C(=O)NCCc2ccccn2)c2ccccc21 ZINC000079474776 185173190 /nfs/dbraw/zinc/17/31/90/185173190.db2.gz SZPAVBSOBGPOKL-UHFFFAOYSA-N 0 0 307.353 1.906 50 0 DDAARN CN1CCN(C2CCN(C(=O)c3ccc(F)cc3)CC2)C1=O ZINC000033038483 539030814 /nfs/dbraw/zinc/03/08/14/539030814.db2.gz XAKQNSYXCAERNP-UHFFFAOYSA-N 0 0 305.353 1.798 50 0 DDAARN C[C@@H](OC(=O)c1ccc2c(c1)COC2)C(=O)NC(=O)NC1CC1 ZINC000050024169 539032327 /nfs/dbraw/zinc/03/23/27/539032327.db2.gz HSJALZFXCNZYPQ-SECBINFHSA-N 0 0 318.329 1.250 50 0 DDAARN CCOC(=O)[C@@H](C)NC(=O)N1CCN(CC)c2ncccc21 ZINC000064929461 539032820 /nfs/dbraw/zinc/03/28/20/539032820.db2.gz XNBZTVUGYYPNMX-LLVKDONJSA-N 0 0 306.366 1.389 50 0 DDAARN O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cc(-c2ccccc2)on1 ZINC000082170515 185174297 /nfs/dbraw/zinc/17/42/97/185174297.db2.gz XYBMWIZGTVTKRT-LLVKDONJSA-N 0 0 304.327 1.382 50 0 DDAARN O=C(CN1CCOCC1)Nc1nnc(C2CCCCC2)s1 ZINC000082230113 185174473 /nfs/dbraw/zinc/17/44/73/185174473.db2.gz SJNCXMQJINQDCK-UHFFFAOYSA-N 0 0 310.423 1.857 50 0 DDAARN COCc1nc(CN2C[C@H](C)C(=O)Nc3ccccc32)no1 ZINC000182632279 539240043 /nfs/dbraw/zinc/24/00/43/539240043.db2.gz NEKHLJUNCMQHKF-JTQLQIEISA-N 0 0 302.334 1.811 50 0 DDAARN CCC(CC)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000003563810 282198811 /nfs/dbraw/zinc/19/88/11/282198811.db2.gz RKDIAFFGWXSKHU-ZBEGNZNMSA-N 0 0 309.410 1.792 50 0 DDAARN C[C@H](C(=O)N1CCCC1)N1CCN(CCC(F)(F)F)CC1 ZINC000088593412 185258730 /nfs/dbraw/zinc/25/87/30/185258730.db2.gz JRYOFVOXTICWCM-GFCCVEGCSA-N 0 0 307.360 1.567 50 0 DDAARN O=C([C@@H]1CCCCN1c1ncc(Cl)cn1)N1CCOCC1 ZINC000088726942 185263617 /nfs/dbraw/zinc/26/36/17/185263617.db2.gz CINLPRYMHFPBCI-LBPRGKRZSA-N 0 0 310.785 1.348 50 0 DDAARN C[C@@H]1CN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)C[C@H](C)O1 ZINC000222029284 539265281 /nfs/dbraw/zinc/26/52/81/539265281.db2.gz HYFCZJRVPRBHJT-HXWPRHEXSA-N 0 0 318.373 1.200 50 0 DDAARN COCc1cc(CNC(=O)c2cc3c(cc2C)OCCO3)[nH]n1 ZINC000222647519 539265597 /nfs/dbraw/zinc/26/55/97/539265597.db2.gz XABFVQHBENPZSI-UHFFFAOYSA-N 0 0 317.345 1.566 50 0 DDAARN Cc1nn(CC(=O)NCC2(Cn3ccnc3)CC2)cc1Cl ZINC000222670462 539265670 /nfs/dbraw/zinc/26/56/70/539265670.db2.gz DVPCHBVZDUAJAK-UHFFFAOYSA-N 0 0 307.785 1.638 50 0 DDAARN CCN(CC)C(=O)COC(=O)c1ccc(OC(C)=O)c(OC)c1 ZINC000089967653 185272256 /nfs/dbraw/zinc/27/22/56/185272256.db2.gz VEZVGLUAYBBSSE-UHFFFAOYSA-N 0 0 323.345 1.646 50 0 DDAARN CCN(Cc1ccccc1)S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000089969284 185272311 /nfs/dbraw/zinc/27/23/11/185272311.db2.gz CTYMNNWXAULHEK-UHFFFAOYSA-N 0 0 323.462 1.533 50 0 DDAARN O=C([O-])C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 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/nfs/dbraw/zinc/10/78/60/191107860.db2.gz IGDLKGDZHCOBMM-AAEUAGOBSA-N 0 0 311.403 1.836 50 0 DDAARN COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)[C@@H](C)CO ZINC000072294168 191110611 /nfs/dbraw/zinc/11/06/11/191110611.db2.gz IJTAGMJLSNBYLS-VHSXEESVSA-N 0 0 309.366 1.792 50 0 DDAARN CC(C)c1nc([C@@H]2CCCN2C(=O)CN2CSCC2=O)no1 ZINC000072299401 191113947 /nfs/dbraw/zinc/11/39/47/191113947.db2.gz IEPYDCZZSZHQMW-JTQLQIEISA-N 0 0 324.406 1.389 50 0 DDAARN O=S(=O)(CCC(F)(F)F)NCc1cnn2c1CCCC2 ZINC000225613369 186283349 /nfs/dbraw/zinc/28/33/49/186283349.db2.gz QNNJJEGAGZUICY-UHFFFAOYSA-N 0 0 311.329 1.591 50 0 DDAARN Nc1ccc(C(=O)N[C@H](Cc2ccccn2)[C@H]2C[C@H](O)C2)cn1 ZINC000253378447 186302388 /nfs/dbraw/zinc/30/23/88/186302388.db2.gz FGKXWUIZOTWDJP-BPLDGKMQSA-N 0 0 312.373 1.171 50 0 DDAARN Cc1n[nH]cc1CNC(=O)c1c(C)cc(C)n(CC2CC2)c1=O ZINC000253410154 186309314 /nfs/dbraw/zinc/30/93/14/186309314.db2.gz MWWGVWGJBKHHJM-UHFFFAOYSA-N 0 0 314.389 1.837 50 0 DDAARN CN1C[C@H](C(=O)Nc2ccc(-n3cc(Cl)cn3)nc2)CC1=O ZINC000072401414 191150407 /nfs/dbraw/zinc/15/04/07/191150407.db2.gz BUYFRNSWPDONEO-SECBINFHSA-N 0 0 319.752 1.338 50 0 DDAARN Cn1c2ccccc2nc(CCC(=O)NCc2cccnc2)c1=O ZINC000072404807 191151735 /nfs/dbraw/zinc/15/17/35/191151735.db2.gz ZHWWARKCUOZBLW-UHFFFAOYSA-N 0 0 322.368 1.578 50 0 DDAARN COc1ccc(NC(=O)CCCNC(=O)c2cnccn2)cn1 ZINC000072404125 191151738 /nfs/dbraw/zinc/15/17/38/191151738.db2.gz CYVBRQZHHPQLPU-UHFFFAOYSA-N 0 0 315.333 1.029 50 0 DDAARN Cc1nnc2sc(SCC(=O)c3ccccc3)nn2c1=O ZINC000004347107 352112225 /nfs/dbraw/zinc/11/22/25/352112225.db2.gz UETGZXLTTMFERQ-UHFFFAOYSA-N 0 0 318.383 1.829 50 0 DDAARN CCOC(=O)C[C@@H](c1cccnc1)c1c(O)cc(C)[nH]c1=O ZINC000072403805 191152174 /nfs/dbraw/zinc/15/21/74/191152174.db2.gz DRJHWAPRMXNNAK-LBPRGKRZSA-N 0 0 302.330 1.869 50 0 DDAARN Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)ncn3C)co1 ZINC000072404642 191152286 /nfs/dbraw/zinc/15/22/86/191152286.db2.gz CROBGVSIPKBXCT-UHFFFAOYSA-N 0 0 313.313 1.852 50 0 DDAARN CC(C)(O)CCc1ccc(C(=O)NCCN2CCNC2=O)cc1 ZINC000072412257 191155830 /nfs/dbraw/zinc/15/58/30/191155830.db2.gz OHYRVYWYAIBRFM-UHFFFAOYSA-N 0 0 319.405 1.145 50 0 DDAARN CN1CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)[C@H](CO)C1 ZINC000072421233 191157860 /nfs/dbraw/zinc/15/78/60/191157860.db2.gz BFXBBNRRNSJBBG-INIZCTEOSA-N 0 0 320.433 1.139 50 0 DDAARN CNC(=O)CN1CCC[C@@H](c2cc(N3CCCC3)nc(C)n2)C1 ZINC000072433839 191163965 /nfs/dbraw/zinc/16/39/65/191163965.db2.gz NMSVKKZCMWJKES-CQSZACIVSA-N 0 0 317.437 1.311 50 0 DDAARN COCCn1cnnc1CNc1cc(C(C)C)nc2ccnn21 ZINC000072429748 191163263 /nfs/dbraw/zinc/16/32/63/191163263.db2.gz CHAVEWIMMWUTTR-UHFFFAOYSA-N 0 0 315.381 1.703 50 0 DDAARN CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)c3cc[nH]n3)CC[C@H]21 ZINC000072447298 191168416 /nfs/dbraw/zinc/16/84/16/191168416.db2.gz STVYKOBHXIBEFL-DZGCQCFKSA-N 0 0 318.421 1.909 50 0 DDAARN CC(=O)N[C@@H]1[C@H](O)O[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2[C@H]1O ZINC000043760920 352373636 /nfs/dbraw/zinc/37/36/36/352373636.db2.gz DGWGXCQMDPSJJC-YHPRMOQLSA-N 0 0 305.374 1.153 50 0 DDAARN NC(=O)[C@H]1CCCN1C(=O)NC1CCN(c2ccccc2)CC1 ZINC000054680308 352701377 /nfs/dbraw/zinc/70/13/77/352701377.db2.gz DPGAHCBYQVWZKZ-OAHLLOKOSA-N 0 0 316.405 1.315 50 0 DDAARN COCCN1CCN(C(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000054009566 352675842 /nfs/dbraw/zinc/67/58/42/352675842.db2.gz HNDMVTZWXZGNRZ-MRXNPFEDSA-N 0 0 303.406 1.648 50 0 DDAARN CCCCn1nnnc1CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000069493140 353163729 /nfs/dbraw/zinc/16/37/29/353163729.db2.gz XAAYBWSZICPAEJ-UHFFFAOYSA-N 0 0 317.441 1.888 50 0 DDAARN COC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1C ZINC000001426000 180865374 /nfs/dbraw/zinc/86/53/74/180865374.db2.gz ZSIYQJCUIZPSBT-UHFFFAOYSA-N 0 0 301.364 1.234 50 0 DDAARN Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)NC2)n1 ZINC000072279962 353196815 /nfs/dbraw/zinc/19/68/15/353196815.db2.gz RQWLREHNKBSOJN-HUUCEWRRSA-N 0 0 318.421 1.407 50 0 DDAARN CC[C@H](C)[C@@H](NC(C)=O)C(=O)NC(=O)NCc1ccccc1 ZINC000002114974 180911108 /nfs/dbraw/zinc/91/11/08/180911108.db2.gz LYTIXGUTYOIHJZ-SMDDNHRTSA-N 0 0 305.378 1.563 50 0 biogenic DDAARN COC(=O)CCn1c(=O)oc2cc(Br)ccc21 ZINC000075270907 353357396 /nfs/dbraw/zinc/35/73/96/353357396.db2.gz FNAPAQOADIGHGE-UHFFFAOYSA-N 0 0 300.108 1.920 50 0 DDAARN C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C(=O)[O-] ZINC000075280044 353357467 /nfs/dbraw/zinc/35/74/67/353357467.db2.gz CTFBRLQOPVSCGR-WPRPVWTQSA-N 0 0 318.167 1.252 50 0 DDAARN Cc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc32)c(=O)[nH]1 ZINC000075120482 353348351 /nfs/dbraw/zinc/34/83/51/353348351.db2.gz JXCONJCPMSGWDN-CYBMUJFWSA-N 0 0 311.385 1.864 50 0 DDAARN CN(C)c1ccc(NC(=O)CNc2ccc(C(N)=O)cc2)cn1 ZINC000076023175 353391700 /nfs/dbraw/zinc/39/17/00/353391700.db2.gz QTUUUIUEMPSUEU-UHFFFAOYSA-N 0 0 313.361 1.297 50 0 DDAARN O=C(CN1CCC[C@H]1c1noc(C2CC2)n1)NC[C@@H]1CCOC1 ZINC000076047473 353393506 /nfs/dbraw/zinc/39/35/06/353393506.db2.gz CKVMXQLHJWMLGM-AAEUAGOBSA-N 0 0 320.393 1.237 50 0 DDAARN CCO[C@H]1C[C@@H](NC(=O)COCc2nc(C)no2)C12CCCC2 ZINC000076068091 353396436 /nfs/dbraw/zinc/39/64/36/353396436.db2.gz 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/nfs/dbraw/zinc/53/37/63/353533763.db2.gz DLNLOQUNVHHAPR-KGLIPLIRSA-N 0 0 308.353 1.862 50 0 DDAARN CC(C)S(=O)(=O)N(C)CC(=O)N(C)Cc1cccs1 ZINC000078990774 353544848 /nfs/dbraw/zinc/54/48/48/353544848.db2.gz AOJCTMHNAMIYGD-UHFFFAOYSA-N 0 0 304.437 1.377 50 0 DDAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1C[C@@H](F)C[C@H]1CO ZINC000332090199 234479734 /nfs/dbraw/zinc/47/97/34/234479734.db2.gz ARISSIPLSVFHSR-RDBSUJKOSA-N 0 0 320.364 1.509 50 0 DDAARN CO[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000079102334 353549902 /nfs/dbraw/zinc/54/99/02/353549902.db2.gz YKNQALQJPPSQBE-VHDGCEQUSA-N 0 0 302.374 1.723 50 0 DDAARN C[C@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@@H](/C=C/c3ccccc3)[C@H]12 ZINC000003149815 180986368 /nfs/dbraw/zinc/98/63/68/180986368.db2.gz TYOLRTYWMXRCLK-IZBVLFNOSA-N 0 0 314.389 1.709 50 0 biogenic DDAARN Cc1ccsc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000003315424 181003570 /nfs/dbraw/zinc/00/35/70/181003570.db2.gz CZTIXGMQKVHRGA-UHFFFAOYSA-N 0 0 318.354 1.951 50 0 DDAARN O=C(COc1ccccc1)OCC(=O)c1ccc(O)cc1O ZINC000003333120 181006650 /nfs/dbraw/zinc/00/66/50/181006650.db2.gz YZQOAWSRSQAQMV-UHFFFAOYSA-N 0 0 302.282 1.903 50 0 DDAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(C2CC2)n1N ZINC000003484302 181025837 /nfs/dbraw/zinc/02/58/37/181025837.db2.gz RZUZVKQLBHVXAV-GXSJLCMTSA-N 0 0 309.439 1.656 50 0 DDAARN O=C(NCCCn1ccnc1)N[C@@H]1COc2cc(F)cc(F)c21 ZINC000097371635 353918708 /nfs/dbraw/zinc/91/87/08/353918708.db2.gz HSJKNKVGRMOLFY-GFCCVEGCSA-N 0 0 322.315 1.984 50 0 DDAARN Nc1nccnc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000003569041 181036582 /nfs/dbraw/zinc/03/65/82/181036582.db2.gz APJZCBNMOVTEKA-UHFFFAOYSA-N 0 0 312.329 1.343 50 0 DDAARN O[C@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccc(F)c(F)c1 ZINC000106665549 353940736 /nfs/dbraw/zinc/94/07/36/353940736.db2.gz WJVGXVUHNHIHBT-XJKSGUPXSA-N 0 0 323.343 1.596 50 0 DDAARN C[C@H](NC(=O)Cn1ccccc1=O)c1cccc(-n2cccn2)c1 ZINC000073205528 191291715 /nfs/dbraw/zinc/29/17/15/191291715.db2.gz HMJPTOGZSMQWKI-AWEZNQCLSA-N 0 0 322.368 1.911 50 0 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ZINC000079192811 296529108 /nfs/dbraw/zinc/52/91/08/296529108.db2.gz NHJVCQGKVIXORU-UHFFFAOYSA-N 0 0 300.387 1.884 50 0 DDAARN CCOCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000072237977 286068192 /nfs/dbraw/zinc/06/81/92/286068192.db2.gz IZJRLFYTZIYKQP-HZPDHXFCSA-N 0 0 320.389 1.128 50 0 DDAARN COc1cc([C@@H]2NC3(CCCC3)C(=O)N2C)cc2c1OCCO2 ZINC000069774628 286246235 /nfs/dbraw/zinc/24/62/35/286246235.db2.gz MOBSVOHSKNVVFP-OAHLLOKOSA-N 0 0 318.373 1.839 50 0 DDAARN O=C(Cn1nccn1)N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12 ZINC000222891466 407562440 /nfs/dbraw/zinc/56/24/40/407562440.db2.gz APHRLYPNWJJDIH-FSDCSDTHSA-N 0 0 312.373 1.041 50 0 DDAARN CS(=O)(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000000268104 406636366 /nfs/dbraw/zinc/63/63/66/406636366.db2.gz IALVTCTYRJLQRI-UHFFFAOYSA-N 0 0 302.783 1.057 50 0 DDAARN CN1c2ccccc2[C@](O)(CC(=O)c2cc(O)ccc2O)C1=O ZINC000000120347 406623809 /nfs/dbraw/zinc/62/38/09/406623809.db2.gz CQPGVDJOLZVQBY-QGZVFWFLSA-N 0 0 313.309 1.535 50 0 DDAARN COc1ccc(NS(=O)(=O)N2CCc3ccccc3C2)cn1 ZINC000068237541 406626201 /nfs/dbraw/zinc/62/62/01/406626201.db2.gz SSCSJFPHAFJREI-UHFFFAOYSA-N 0 0 319.386 1.805 50 0 DDAARN CCOC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000000154047 406627163 /nfs/dbraw/zinc/62/71/63/406627163.db2.gz WYIFKHGCWZIBLQ-UHFFFAOYSA-N 0 0 316.379 1.255 50 0 DDAARN CCN(CCN1C(=O)CCC1=O)c1cccc(NC(C)=O)c1 ZINC000000173621 406629471 /nfs/dbraw/zinc/62/94/71/406629471.db2.gz QNRQNXKUSKBAET-UHFFFAOYSA-N 0 0 303.362 1.620 50 0 DDAARN COc1ccc([C@@H]2SCCN2S(C)(=O)=O)cc1OC ZINC000000250025 406633745 /nfs/dbraw/zinc/63/37/45/406633745.db2.gz ZSOCUVIAVDAEIN-LBPRGKRZSA-N 0 0 303.405 1.711 50 0 DDAARN CNC(=S)N(C)CCc1cc2c(c(OC)c1C=O)OCO2 ZINC000000490999 406652159 /nfs/dbraw/zinc/65/21/59/406652159.db2.gz UOBAIGLLODEIRY-UHFFFAOYSA-N 0 0 310.375 1.215 50 0 biogenic DDAARN CC[C@@]1(C)Cc2c(sc3c2c(=O)n(C)c2nncn32)CO1 ZINC000000506596 406653426 /nfs/dbraw/zinc/65/34/26/406653426.db2.gz XYAFKMHNZMBPNL-AWEZNQCLSA-N 0 0 304.375 1.884 50 0 DDAARN O=C(Nc1nncs1)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000068663368 406655636 /nfs/dbraw/zinc/65/56/36/406655636.db2.gz USEVSJFVLFXOEV-ZCFIWIBFSA-N 0 0 324.284 1.640 50 0 DDAARN CC[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC000001055173 406663636 /nfs/dbraw/zinc/66/36/36/406663636.db2.gz CDLIXIJLJLAKNS-CQSZACIVSA-N 0 0 310.419 1.284 50 0 DDAARN NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000001185361 406665906 /nfs/dbraw/zinc/66/59/06/406665906.db2.gz SVFNBKYBPHTVFU-UHFFFAOYSA-N 0 0 312.372 1.135 50 0 DDAARN CS(=O)(=O)NN1C(=O)c2ccccc2N[C@H]1c1cccs1 ZINC000001441665 406669343 /nfs/dbraw/zinc/66/93/43/406669343.db2.gz OITYULKGRPWBQY-GFCCVEGCSA-N 0 0 323.399 1.779 50 0 DDAARN O=C(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCCCC1 ZINC000002845576 406704245 /nfs/dbraw/zinc/70/42/45/406704245.db2.gz NEMLEGMDONRACY-UHFFFAOYSA-N 0 0 319.380 1.487 50 0 DDAARN CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000068961093 406675158 /nfs/dbraw/zinc/67/51/58/406675158.db2.gz KPRSVTKTSHFNAT-NSHDSACASA-N 0 0 306.428 1.525 50 0 DDAARN CCCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002029971 406680838 /nfs/dbraw/zinc/68/08/38/406680838.db2.gz VMZZIZJTOOPOLL-UHFFFAOYSA-N 0 0 305.382 1.214 50 0 DDAARN CCN(Cc1ccoc1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000069151028 406685641 /nfs/dbraw/zinc/68/56/41/406685641.db2.gz FBUSNTYOPYQZOI-UHFFFAOYSA-N 0 0 317.411 1.139 50 0 DDAARN CCOc1cc(-c2noc(CCC(=O)NC)n2)ccc1OC ZINC000002437095 406686524 /nfs/dbraw/zinc/68/65/24/406686524.db2.gz YCSDWHNOGPLUPI-UHFFFAOYSA-N 0 0 305.334 1.823 50 0 DDAARN COC[C@]1(C)NC(=O)N(CCC(=O)Nc2cccc(F)c2)C1=O ZINC000069166534 406686669 /nfs/dbraw/zinc/68/66/69/406686669.db2.gz OJGWEHWBQDUVNK-HNNXBMFYSA-N 0 0 323.324 1.111 50 0 DDAARN CC(C)NC(=O)CCS(=O)(=O)c1cccc2nsnc21 ZINC000002457732 406687380 /nfs/dbraw/zinc/68/73/80/406687380.db2.gz OZCCWJIFHAVNCV-UHFFFAOYSA-N 0 0 313.404 1.380 50 0 DDAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(N)s2)cc1 ZINC000002500829 406690802 /nfs/dbraw/zinc/69/08/02/406690802.db2.gz KQHSKTCVZOLKLL-UHFFFAOYSA-N 0 0 323.403 1.810 50 0 DDAARN CCc1nnc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)s1 ZINC000002626581 406693974 /nfs/dbraw/zinc/69/39/74/406693974.db2.gz SUOPTUDKIJPIIO-SNVBAGLBSA-N 0 0 303.343 1.821 50 0 DDAARN COCCn1c2ccccc2nc1S[C@@H](C)C(=O)NC(N)=O ZINC000002622796 406694170 /nfs/dbraw/zinc/69/41/70/406694170.db2.gz SSRAGVVHKAVJOF-VIFPVBQESA-N 0 0 322.390 1.358 50 0 DDAARN O=C(NCCSc1nncn1C1CC1)OCC(F)(F)F ZINC000069349090 406696596 /nfs/dbraw/zinc/69/65/96/406696596.db2.gz PIRMJCLXISDBNU-UHFFFAOYSA-N 0 0 310.301 1.994 50 0 DDAARN Cn1c(NC(=O)c2cccc3ccccc32)cc(=O)n(C)c1=O ZINC000002711263 406697246 /nfs/dbraw/zinc/69/72/46/406697246.db2.gz MLRLTOLOJRMZTC-UHFFFAOYSA-N 0 0 309.325 1.490 50 0 DDAARN O=C(COC(=O)c1ccnn1C(F)F)NC1CCCCC1 ZINC000002780521 406699530 /nfs/dbraw/zinc/69/95/30/406699530.db2.gz HBGMZCCPNLUOOI-UHFFFAOYSA-N 0 0 301.293 1.884 50 0 DDAARN O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCCn2ncnc21 ZINC000069351686 406699650 /nfs/dbraw/zinc/69/96/50/406699650.db2.gz MWBCSDOTMDAXPS-QPJJXVBHSA-N 0 0 320.356 1.914 50 0 DDAARN CC(=O)Oc1ccccc1C(=O)OCC(=O)Nc1cc(C)on1 ZINC000002792852 406700653 /nfs/dbraw/zinc/70/06/53/406700653.db2.gz ZDFBECGGTKUZMP-UHFFFAOYSA-N 0 0 318.285 1.704 50 0 DDAARN Cc1cc(OCC(=O)N2CCOCC2)ccc1Br ZINC000000326871 406639000 /nfs/dbraw/zinc/63/90/00/406639000.db2.gz NOWJZLCAYCXLAC-UHFFFAOYSA-N 0 0 314.179 1.995 50 0 DDAARN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000000340351 406641703 /nfs/dbraw/zinc/64/17/03/406641703.db2.gz FOOYRJIJNYBGIF-UHFFFAOYSA-N 0 0 312.372 1.135 50 0 in-vivo DDAARN NC(=O)Cc1ccc(OCC(=O)Nc2ccccc2F)cc1 ZINC000000356553 406642028 /nfs/dbraw/zinc/64/20/28/406642028.db2.gz VIZGMEPYKFUYBA-UHFFFAOYSA-N 0 0 302.305 1.871 50 0 DDAARN CCOC(=O)COc1nc(C)c(Br)c(OC)n1 ZINC000000346380 406642293 /nfs/dbraw/zinc/64/22/93/406642293.db2.gz XCBYQPNJMTUSPH-UHFFFAOYSA-N 0 0 305.128 1.498 50 0 DDAARN CCNS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000000381936 406645167 /nfs/dbraw/zinc/64/51/67/406645167.db2.gz NJYMGMZLHHRHSQ-UHFFFAOYSA-N 0 0 324.196 1.765 50 0 DDAARN COc1ccc(CN2C[C@H](C(=O)NCC3CCC3)CC2=O)cc1 ZINC000069373412 406702924 /nfs/dbraw/zinc/70/29/24/406702924.db2.gz SRRQZSQTJNZCNM-OAHLLOKOSA-N 0 0 316.401 1.960 50 0 DDAARN COC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C ZINC000000426933 406647449 /nfs/dbraw/zinc/64/74/49/406647449.db2.gz HJMUJIKBSNQJPR-UHFFFAOYSA-N 0 0 307.331 1.476 50 0 DDAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(=O)n(C)n3)sc2C1 ZINC000006590667 406739621 /nfs/dbraw/zinc/73/96/21/406739621.db2.gz INIOPKCJMRPIHB-MRVPVSSYSA-N 0 0 304.375 1.614 50 0 DDAARN O=C(CN1CCC[C@H]1Cn1cncn1)Nc1ccc(Cl)cn1 ZINC000069597690 406739747 /nfs/dbraw/zinc/73/97/47/406739747.db2.gz ZSKRURRDQNMABM-LBPRGKRZSA-N 0 0 320.784 1.430 50 0 DDAARN Cc1ccc2c(c1)N(C(=O)CCC(=O)N1CCOCC1)CCO2 ZINC000006798059 406741685 /nfs/dbraw/zinc/74/16/85/406741685.db2.gz FTUHWGFHVATJRT-UHFFFAOYSA-N 0 0 318.373 1.359 50 0 DDAARN CCOC(=O)c1cnc(SCC(=O)N(CC)CC)nc1N ZINC000006900267 406741848 /nfs/dbraw/zinc/74/18/48/406741848.db2.gz AHCKEQAHQYUDPZ-UHFFFAOYSA-N 0 0 312.395 1.196 50 0 DDAARN CCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 ZINC000006880198 406742585 /nfs/dbraw/zinc/74/25/85/406742585.db2.gz KZNGZGHWCWGGDY-UHFFFAOYSA-N 0 0 321.782 1.580 50 0 DDAARN COc1ccc(CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000007116257 406750348 /nfs/dbraw/zinc/75/03/48/406750348.db2.gz ZAVKFIILIAHWJX-CYBMUJFWSA-N 0 0 323.414 1.621 50 0 DDAARN O=C(CCn1nc2ccccn2c1=O)NC1CCCCCC1 ZINC000069656338 406752116 /nfs/dbraw/zinc/75/21/16/406752116.db2.gz PNKSOTGVRQDSFN-UHFFFAOYSA-N 0 0 302.378 1.725 50 0 DDAARN O=C([C@@H]1Cc2ccccc2O1)N1CCN(c2ncccn2)CC1 ZINC000007955804 406772198 /nfs/dbraw/zinc/77/21/98/406772198.db2.gz VOXIRLMPBRUPLC-HNNXBMFYSA-N 0 0 310.357 1.129 50 0 DDAARN CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000069665042 406754387 /nfs/dbraw/zinc/75/43/87/406754387.db2.gz CAGBITIESDYZRM-KBPBESRZSA-N 0 0 312.387 1.956 50 0 DDAARN CCc1nc2n(n1)C[C@@H](NCc1cn(-c3ccccc3)nn1)CC2 ZINC000069664826 406755656 /nfs/dbraw/zinc/75/56/56/406755656.db2.gz GDJQOIKFVQETDM-ZDUSSCGKSA-N 0 0 323.404 1.526 50 0 DDAARN O=C(C1CCOCC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000069665213 406755911 /nfs/dbraw/zinc/75/59/11/406755911.db2.gz QDDBOCKXPRRFDO-KRWDZBQOSA-N 0 0 318.417 1.291 50 0 DDAARN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(C)=O)CC1 ZINC000069698425 406757519 /nfs/dbraw/zinc/75/75/19/406757519.db2.gz AIPPAQCWGFVVQR-AWEZNQCLSA-N 0 0 310.781 1.718 50 0 DDAARN CCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC ZINC000007459129 406758051 /nfs/dbraw/zinc/75/80/51/406758051.db2.gz JAIZNTWXCIWOSZ-UHFFFAOYSA-N 0 0 305.309 1.520 50 0 DDAARN CCOc1ccc(OCCNC(=O)[C@@H](NC(C)=O)C(C)C)cc1 ZINC000007899639 406772684 /nfs/dbraw/zinc/77/26/84/406772684.db2.gz KRDHKKARNDQAAZ-INIZCTEOSA-N 0 0 322.405 1.741 50 0 DDAARN CO[C@H](C)CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000069737544 406761935 /nfs/dbraw/zinc/76/19/35/406761935.db2.gz WERBMLPRBMZHJA-ZBFHGGJFSA-N 0 0 306.406 1.289 50 0 DDAARN Cc1nc(CN2CCCN(C(=O)COCC3CC3)CC2)cs1 ZINC000069738464 406762268 /nfs/dbraw/zinc/76/22/68/406762268.db2.gz LVFLTPVGZUIWRW-UHFFFAOYSA-N 0 0 323.462 1.912 50 0 DDAARN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@H]1CC=CCC1 ZINC000069743324 406766960 /nfs/dbraw/zinc/76/69/60/406766960.db2.gz JRIUWKSJHJNTFA-ZDUSSCGKSA-N 0 0 314.389 1.654 50 0 DDAARN O[C@@H](COCc1cccs1)CN1CCc2cncnc2C1 ZINC000069770132 406768786 /nfs/dbraw/zinc/76/87/86/406768786.db2.gz ZDAVQGKXTXSVRS-CYBMUJFWSA-N 0 0 305.403 1.474 50 0 DDAARN COCCNC(=O)c1ccc(I)cc1 ZINC000002961371 406708493 /nfs/dbraw/zinc/70/84/93/406708493.db2.gz XDQBMIVROLABMZ-UHFFFAOYSA-N 0 0 305.115 1.667 50 0 DDAARN NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000003015502 406708963 /nfs/dbraw/zinc/70/89/63/406708963.db2.gz FYBFOIFZDKUVLE-UHFFFAOYSA-N 0 0 313.357 1.322 50 0 DDAARN O=C(/C=C/c1ccc2c(c1)CCO2)NCC(=O)Nc1cn[nH]c1 ZINC000069431920 406712749 /nfs/dbraw/zinc/71/27/49/406712749.db2.gz FDDUBHGAJOOGLF-DUXPYHPUSA-N 0 0 312.329 1.113 50 0 DDAARN CC[C@@H]1CN(C(=O)NCc2nncn2-c2ccccc2)CCO1 ZINC000069451200 406715223 /nfs/dbraw/zinc/71/52/23/406715223.db2.gz LUFHDEVSMKSMNK-CQSZACIVSA-N 0 0 315.377 1.588 50 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O=C(C[C@H]1CCCO1)N1CCC[C@H]1c1nnc2ccccn21 ZINC000047076013 418452484 /nfs/dbraw/zinc/45/24/84/418452484.db2.gz TYEYSZPDCGVPNW-OLZOCXBDSA-N 0 0 300.362 1.962 50 0 DDAARN Cc1csc2nc(CN(CC(N)=O)C3CCCC3)cc(=O)n12 ZINC000047274153 418454473 /nfs/dbraw/zinc/45/44/73/418454473.db2.gz FZMCLCMTEJKDCR-UHFFFAOYSA-N 0 0 320.418 1.294 50 0 DDAARN O=C(Cc1c[nH]c2ccccc12)Nc1nc(-c2ccccn2)n[nH]1 ZINC000047343297 418455728 /nfs/dbraw/zinc/45/57/28/418455728.db2.gz ZNWUJXDBFOKPSW-UHFFFAOYSA-N 0 0 318.340 1.951 50 0 DDAARN CN(Cc1ccccc1)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000047402692 418456393 /nfs/dbraw/zinc/45/63/93/418456393.db2.gz GUDNPOQTUZVGCE-UHFFFAOYSA-N 0 0 310.361 1.448 50 0 DDAARN O=C(Nc1c[nH]ccc1=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000047672268 418460023 /nfs/dbraw/zinc/46/00/23/418460023.db2.gz XLCYPUTWMQHORI-SNVBAGLBSA-N 0 0 315.304 1.506 50 0 DDAARN C[C@@H](OC(=O)[C@H]1CC(=O)N(C)C1)C(=O)c1c[nH]c2ccccc21 ZINC000047735222 418460569 /nfs/dbraw/zinc/46/05/69/418460569.db2.gz RBGZQAKWINILQT-MNOVXSKESA-N 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/nfs/dbraw/zinc/76/75/58/406767558.db2.gz AGWCUOPBHRMXNV-UHFFFAOYSA-N 0 0 307.325 1.116 50 0 DDAARN O=S1(=O)c2cccc3cccc(c23)N1CCn1cncn1 ZINC000069773373 406767943 /nfs/dbraw/zinc/76/79/43/406767943.db2.gz ZXBWLAQZSRLHFM-UHFFFAOYSA-N 0 0 300.343 1.640 50 0 DDAARN COc1cc(C2(C(=O)NCC(=O)NC3CC3)CC2)ccc1C ZINC000069387726 406706486 /nfs/dbraw/zinc/70/64/86/406706486.db2.gz MBVAYRDNZZCXPR-UHFFFAOYSA-N 0 0 302.374 1.430 50 0 DDAARN Cc1ccccc1CS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000069418534 406708171 /nfs/dbraw/zinc/70/81/71/406708171.db2.gz DMFLSNMDHUJTBK-CQSZACIVSA-N 0 0 310.419 1.377 50 0 DDAARN CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCO1 ZINC000069416859 406708217 /nfs/dbraw/zinc/70/82/17/406708217.db2.gz RRBJNFIFNJXOGQ-GHMZBOCLSA-N 0 0 316.423 1.592 50 0 DDAARN CCOCCN1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000069421380 406708555 /nfs/dbraw/zinc/70/85/55/406708555.db2.gz RZPVNSMPKQTGII-UHFFFAOYSA-N 0 0 322.434 1.952 50 0 DDAARN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(N)=O ZINC000003118093 406710479 /nfs/dbraw/zinc/71/04/79/406710479.db2.gz OCFYTKZXDSNICX-WCQYABFASA-N 0 0 308.378 1.970 50 0 DDAARN CCOCCCNC(=O)CSc1nc2nc(C)cc(C)n2n1 ZINC000003039261 406711707 /nfs/dbraw/zinc/71/17/07/406711707.db2.gz QUXSIFCLLFYEBY-UHFFFAOYSA-N 0 0 323.422 1.376 50 0 DDAARN Cc1cc(C(=O)N(Cc2cccnc2)C[C@H]2CCCO2)[nH]n1 ZINC000069777279 406770399 /nfs/dbraw/zinc/77/03/99/406770399.db2.gz RFDICAWLOBETDY-CQSZACIVSA-N 0 0 300.362 1.935 50 0 DDAARN O=C(COC(=O)c1ccc2c(c1)OCO2)N1CCCCCC1 ZINC000003320016 406715872 /nfs/dbraw/zinc/71/58/72/406715872.db2.gz YJILXHGPDYVGPN-UHFFFAOYSA-N 0 0 305.330 1.975 50 0 DDAARN COc1cc(C(=O)OCCN2CCCC2=O)cc(OC)c1OC ZINC000003258400 406717454 /nfs/dbraw/zinc/71/74/54/406717454.db2.gz GDIOZOYGZKELMH-UHFFFAOYSA-N 0 0 323.345 1.492 50 0 DDAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)N1CCCCC1 ZINC000003530182 406719479 /nfs/dbraw/zinc/71/94/79/406719479.db2.gz DBXJYPXLNNTPBJ-UHFFFAOYSA-N 0 0 314.341 1.697 50 0 DDAARN Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)NCc2ccco2)n1 ZINC000069491926 406722488 /nfs/dbraw/zinc/72/24/88/406722488.db2.gz ULTBGXBSCRSGLW-AWEZNQCLSA-N 0 0 317.393 1.269 50 0 DDAARN Cc1nc(NC(=O)CN2CCc3cncnc3C2)sc1C ZINC000069491956 406723434 /nfs/dbraw/zinc/72/34/34/406723434.db2.gz SLYQAKHSLIVESF-UHFFFAOYSA-N 0 0 303.391 1.547 50 0 DDAARN Cn1cnc2c1CCN(C[C@H](O)COCc1ccccc1)C2 ZINC000069490282 406723859 /nfs/dbraw/zinc/72/38/59/406723859.db2.gz WZQWZVTXLTWQQF-HNNXBMFYSA-N 0 0 301.390 1.356 50 0 DDAARN CCCCn1nnnc1CN1CCCC[C@H]1Cn1cncn1 ZINC000069513969 406724856 /nfs/dbraw/zinc/72/48/56/406724856.db2.gz YOYSMIQHLQEMKU-ZDUSSCGKSA-N 0 0 304.402 1.119 50 0 DDAARN CC1=C(C)C[S@](=O)N(c2ccc(S(N)(=O)=O)cc2)C1 ZINC000004646286 406726175 /nfs/dbraw/zinc/72/61/75/406726175.db2.gz FSFPBAKZIXJWSY-GOSISDBHSA-N 0 0 300.405 1.154 50 0 aggregator DDAARN CC(C)c1noc([C@@H](C)N2CCN(CCn3cncn3)CC2)n1 ZINC000069512532 406726633 /nfs/dbraw/zinc/72/66/33/406726633.db2.gz POFCHSUMNHBYOI-CYBMUJFWSA-N 0 0 319.413 1.163 50 0 DDAARN O=C1C[S@@](=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2N1 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418496649 /nfs/dbraw/zinc/49/66/49/418496649.db2.gz FQKKBALFJSTCRS-GFCCVEGCSA-N 0 0 322.361 1.280 50 0 DDAARN Cn1cc(Cl)cc1C(=O)[C@H]1C(=O)N(C)N=C1c1ccncc1 ZINC000103263912 418496821 /nfs/dbraw/zinc/49/68/21/418496821.db2.gz KIWCINBSHZTYEZ-LBPRGKRZSA-N 0 0 316.748 1.749 50 0 DDAARN Cc1nsc(N2CCCN([C@H](C)C(=O)NC3CC3)CC2)n1 ZINC000107507285 418498092 /nfs/dbraw/zinc/49/80/92/418498092.db2.gz WFSCQMFHZLARPX-SNVBAGLBSA-N 0 0 309.439 1.026 50 0 DDAARN O=C(Nc1ccc2nncn2c1)[C@H]1COCCN1C1CCCC1 ZINC000193740427 418535364 /nfs/dbraw/zinc/53/53/64/418535364.db2.gz SKTWSRHOBUVYBF-CQSZACIVSA-N 0 0 315.377 1.311 50 0 DDAARN COc1ccccc1[C@@H](C)N(C)C(=O)CCNS(C)(=O)=O ZINC000048286976 418467726 /nfs/dbraw/zinc/46/77/26/418467726.db2.gz WFWRYRWKLOOTRS-LLVKDONJSA-N 0 0 314.407 1.154 50 0 DDAARN COc1cc(CN(C)Cc2nnc(C)n2C)cc2c1OCO2 ZINC000048262777 418468099 /nfs/dbraw/zinc/46/80/99/418468099.db2.gz JWWLGEPFZLICCZ-UHFFFAOYSA-N 0 0 304.350 1.493 50 0 DDAARN CC[C@@](C)(CNC(=O)N[C@H](C)Cn1cccn1)N1CCOCC1 ZINC000048276492 418468221 /nfs/dbraw/zinc/46/82/21/418468221.db2.gz NBBYYMQCFLVINO-ZBFHGGJFSA-N 0 0 323.441 1.072 50 0 DDAARN CN(Cc1ccco1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000048273557 418468320 /nfs/dbraw/zinc/46/83/20/418468320.db2.gz SFAGBXJPCVITHM-OAHLLOKOSA-N 0 0 309.387 1.849 50 0 DDAARN O=C(CNC(=O)c1cc(-c2cccc(F)c2)no1)N1CCCC1 ZINC000048265376 418468425 /nfs/dbraw/zinc/46/84/25/418468425.db2.gz FAEUBLZOOZEYPA-UHFFFAOYSA-N 0 0 317.320 1.833 50 0 DDAARN O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](n2ccnn2)C1 ZINC000206932200 418558252 /nfs/dbraw/zinc/55/82/52/418558252.db2.gz ZEMYCYWMNGRGHH-GFCCVEGCSA-N 0 0 300.318 1.023 50 0 DDAARN CCOCCn1nc(C)cc1C(=O)N[C@H](C)Cc1cnccn1 ZINC000220211684 418561256 /nfs/dbraw/zinc/56/12/56/418561256.db2.gz MKZLZEUIUICRKF-GFCCVEGCSA-N 0 0 317.393 1.379 50 0 DDAARN Cc1ccccc1OC[C@H](O)C(=O)NCc1cccnc1N ZINC000223902807 418564177 /nfs/dbraw/zinc/56/41/77/418564177.db2.gz BCJYXMDFDUWZJJ-ZDUSSCGKSA-N 0 0 301.346 1.028 50 0 DDAARN Cc1cccc(NC(=O)CN(C)[C@H]2Cc3ccccc3[C@H]2O)n1 ZINC000240555894 222210762 /nfs/dbraw/zinc/21/07/62/222210762.db2.gz GYAQJOHCDSSAJP-MAUKXSAKSA-N 0 0 311.385 1.919 50 0 DDAARN COc1ccc(N(C(=O)[C@@H]2C[C@H]2C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000239619497 222210969 /nfs/dbraw/zinc/21/09/69/222210969.db2.gz BFAKQVYDLZLTGD-OSAQELSMSA-N 0 0 323.414 1.871 50 0 DDAARN COc1cccc2c1OC[C@@H](CNC(=O)[C@H]1CC[C@@H](O)CC1)C2 ZINC000244900193 222213358 /nfs/dbraw/zinc/21/33/58/222213358.db2.gz ZXVNTQQFSNECBX-NFAWXSAZSA-N 0 0 319.401 1.914 50 0 DDAARN C[C@H](OCc1ccccc1)C(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000252452461 222244321 /nfs/dbraw/zinc/24/43/21/222244321.db2.gz KAYNYDSRIWDUHH-OAGGEKHMSA-N 0 0 320.433 1.817 50 0 DDAARN COC(=O)N1CCC[C@H](C(=O)O[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000252515909 222246494 /nfs/dbraw/zinc/24/64/94/222246494.db2.gz OKXTXTLAHVUCSO-WUHRBBMRSA-N 0 0 311.378 1.822 50 0 DDAARN COCCOCCNC(=O)[C@@H]1CSC(c2ccccc2O)=N1 ZINC000408517162 418806725 /nfs/dbraw/zinc/80/67/25/418806725.db2.gz 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/nfs/dbraw/zinc/49/61/73/419496173.db2.gz BVHPUZFDAIUGAA-LBPRGKRZSA-N 0 0 302.382 1.924 50 0 DDAARN Cc1nc(CCNC(=O)C[C@H]2CCCOC2)nc2c1CCC2 ZINC000426535228 419502007 /nfs/dbraw/zinc/50/20/07/419502007.db2.gz SNZYUQRTCLTTGU-CYBMUJFWSA-N 0 0 303.406 1.749 50 0 DDAARN CC(=O)NCc1cc2n(n1)CCN(C(=O)[C@H]1CC=CCC1)C2 ZINC000426563116 419505899 /nfs/dbraw/zinc/50/58/99/419505899.db2.gz RXIHUPSKBILIPU-ZDUSSCGKSA-N 0 0 302.378 1.218 50 0 DDAARN CC(C)c1cc(CN(C)C(=O)[C@H](C)N2CCN(C)CC2)no1 ZINC000426571832 419511187 /nfs/dbraw/zinc/51/11/87/419511187.db2.gz SWDJDJOCSGJOLD-ZDUSSCGKSA-N 0 0 308.426 1.392 50 0 DDAARN Cc1ccc2ncnc(N3CCO[C@@H](Cn4ccnn4)C3)c2c1 ZINC000583651869 422209356 /nfs/dbraw/zinc/20/93/56/422209356.db2.gz VDJMIQZIISHSAV-CYBMUJFWSA-N 0 0 310.361 1.435 50 0 DDAARN COC[C@H](CS(=O)(=O)N[C@H]1CCCc2ccccc21)OC ZINC000583651650 422210113 /nfs/dbraw/zinc/21/01/13/422210113.db2.gz QHBXFNXCUPOHNB-HIFRSBDPSA-N 0 0 313.419 1.645 50 0 DDAARN Cn1cccc(C(=O)NCC[C@H](CCO)c2ccsc2)c1=O ZINC000575607667 422303572 /nfs/dbraw/zinc/30/35/72/422303572.db2.gz NFAHJYKZLHRTAU-GFCCVEGCSA-N 0 0 320.414 1.733 50 0 DDAARN CCC(C)(C)[C@@H](O)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000585121438 422306642 /nfs/dbraw/zinc/30/66/42/422306642.db2.gz PHSJEDQLXXMPRP-KGLIPLIRSA-N 0 0 310.438 1.548 50 0 DDAARN Cn1nccc1-c1ccc(CNC(=O)NC2CCOCC2)cn1 ZINC000575619235 422306965 /nfs/dbraw/zinc/30/69/65/422306965.db2.gz JMURBWXSRGQHIH-UHFFFAOYSA-N 0 0 315.377 1.460 50 0 DDAARN COc1ncc(CN2CCN(C)[C@@H](c3nc(C)no3)C2)s1 ZINC000585117447 422308080 /nfs/dbraw/zinc/30/80/80/422308080.db2.gz DLVGGTNGXLEEJD-LLVKDONJSA-N 0 0 309.395 1.332 50 0 DDAARN COC(=O)c1ccc(CNC(=O)CCC(=O)OC(C)(C)C)cn1 ZINC000585135572 422311933 /nfs/dbraw/zinc/31/19/33/422311933.db2.gz QTMXVSFOPFNCJX-UHFFFAOYSA-N 0 0 322.361 1.606 50 0 DDAARN CN(CCn1cnc2c1ncnc2N)C/C(Cl)=C\Cl ZINC000606445932 422460196 /nfs/dbraw/zinc/46/01/96/422460196.db2.gz RTZODFYKQAOKOM-XBXARRHUSA-N 0 0 301.181 1.659 50 0 DDAARN COc1ccccc1C1(C(=O)N2CC(Nc3ccncn3)C2)CC1 ZINC000618256444 422522903 /nfs/dbraw/zinc/52/29/03/422522903.db2.gz RQPAOCYRQYZJOH-UHFFFAOYSA-N 0 0 324.384 1.840 50 0 DDAARN C[C@H](C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-])[NH+]1CCCCCC1 ZINC000655600733 424589837 /nfs/dbraw/zinc/58/98/37/424589837.db2.gz KHCRBNVVLGFRCB-HIFRSBDPSA-N 0 0 319.405 1.458 50 0 DDAARN O=C(NC[C@H]1CCC[NH2+]1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000662413559 424617679 /nfs/dbraw/zinc/61/76/79/424617679.db2.gz XZLDFQVNOQCNLA-LLVKDONJSA-N 0 0 304.325 1.199 50 0 DDAARN CC(C)n1ccc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)n1 ZINC000299776394 276084771 /nfs/dbraw/zinc/08/47/71/276084771.db2.gz BBTSJKTZZSZURM-UONOGXRCSA-N 0 0 316.365 1.042 50 0 DDAARN CCn1c(=O)c2c(nc(NC3CCCCC3)n2C)n(C)c1=O ZINC000036693359 276708758 /nfs/dbraw/zinc/70/87/58/276708758.db2.gz NJLPWNMCZNIEJT-UHFFFAOYSA-N 0 0 305.382 1.198 50 0 DDAARN CC(=O)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000005989719 277110281 /nfs/dbraw/zinc/11/02/81/277110281.db2.gz ALNQFMJKIUYVPS-NWDGAFQWSA-N 0 0 310.400 1.543 50 0 DDAARN COC(=O)[C@H](C)n1cnc2c(nnn2-c2ccc(C)cc2)c1=O ZINC000004139881 277118407 /nfs/dbraw/zinc/11/84/07/277118407.db2.gz GYVRAJGFVYFCHK-JTQLQIEISA-N 0 0 313.317 1.020 50 0 DDAARN COC(=O)c1ccc(CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 ZINC000003487555 277158366 /nfs/dbraw/zinc/15/83/66/277158366.db2.gz PSQWKMNENDGABR-CYBMUJFWSA-N 0 0 304.346 1.940 50 0 DDAARN COC(=O)c1cnc2[nH]cc(I)c2c1 ZINC000014401073 277169346 /nfs/dbraw/zinc/16/93/46/277169346.db2.gz ABEUCTPKYMGJPZ-UHFFFAOYSA-N 0 0 302.071 1.954 50 0 DDAARN CC(C)(C)n1ncnc1CN1CCC(N2CCCNC2=O)CC1 ZINC000253392393 277291235 /nfs/dbraw/zinc/29/12/35/277291235.db2.gz REEKBROSELZRJS-UHFFFAOYSA-N 0 0 320.441 1.413 50 0 DDAARN CC(C)CN1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000004041822 277382407 /nfs/dbraw/zinc/38/24/07/277382407.db2.gz OWVKFTLJBNFQCI-INIZCTEOSA-N 0 0 311.385 1.919 50 0 biogenic DDAARN COc1ccc([C@@H]2c3c(C)[nH]nc3N=C3COC(=O)C32)cc1O ZINC000020086315 277427935 /nfs/dbraw/zinc/42/79/35/277427935.db2.gz FPNCHGUMSIGBET-CYBMUJFWSA-N 0 0 313.313 1.801 50 0 DDAARN C[C@@H]1CN(C(=O)[C@](C)(O)CCc2ccccc2)C[C@H](C)[S@]1=O ZINC000330443085 288008851 /nfs/dbraw/zinc/00/88/51/288008851.db2.gz UFSGHSATHPAWSB-QNJSMHKSSA-N 0 0 323.458 1.738 50 0 DDAARN CC(=O)N[C@@]1(C(=O)N2CCSCC2)CCCc2ccccc21 ZINC000095348538 278152194 /nfs/dbraw/zinc/15/21/94/278152194.db2.gz STVGHSNGBWXXLO-KRWDZBQOSA-N 0 0 318.442 1.930 50 0 DDAARN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CCNC(=O)CC1 ZINC000080179891 278618524 /nfs/dbraw/zinc/61/85/24/278618524.db2.gz RNSCCJLFOFQUEZ-BDJLRTHQSA-N 0 0 319.380 1.981 50 0 DDAARN Cc1cn2c3c(nc2n1C(C)C)n(C)c(=O)n(CC(C)C)c3=O ZINC000005251786 279004794 /nfs/dbraw/zinc/00/47/94/279004794.db2.gz BSRVQJUYUYXZIH-UHFFFAOYSA-N 0 0 317.393 1.695 50 0 DDAARN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC2(C1)OCCO2 ZINC000095431917 279239162 /nfs/dbraw/zinc/23/91/62/279239162.db2.gz PYEUSQXTJLQVQA-HNNXBMFYSA-N 0 0 318.417 1.872 50 0 DDAARN O=C(c1cc(O)ccc1F)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299766268 280167472 /nfs/dbraw/zinc/16/74/72/280167472.db2.gz MQBMRGMMGRKIMO-KBPBESRZSA-N 0 0 318.308 1.109 50 0 DDAARN CC(C)[C@H](CNC(=O)N1CCOC(C)(C)C1)c1ccnn1C ZINC000239351916 280243483 /nfs/dbraw/zinc/24/34/83/280243483.db2.gz AAMYEJPGPNJWMM-ZDUSSCGKSA-N 0 0 308.426 1.980 50 0 DDAARN O=C1NCCCC[C@H]1Nc1ccc2nnc(C(F)(F)F)n2n1 ZINC000049980343 280286075 /nfs/dbraw/zinc/28/60/75/280286075.db2.gz PAOLYVIPCCEDKM-SSDOTTSWSA-N 0 0 314.271 1.224 50 0 DDAARN CC(C)[C@H](NC(=O)Nc1c(-c2ccccc2)cnn1C)C(N)=O ZINC000299756884 280310359 /nfs/dbraw/zinc/31/03/59/280310359.db2.gz JPYRSZNMRPZADQ-ZDUSSCGKSA-N 0 0 315.377 1.719 50 0 DDAARN Cc1cccc(O[C@H](C)CNC(=O)C(=O)Nc2cccnc2)c1 ZINC000076540165 280972731 /nfs/dbraw/zinc/97/27/31/280972731.db2.gz PCRLDFRLOADIKM-CYBMUJFWSA-N 0 0 313.357 1.912 50 0 DDAARN C[NH+](C)[C@H]1CCN(Cc2cc(Cl)ccc2OCC(=O)[O-])C1 ZINC000216519488 289385256 /nfs/dbraw/zinc/38/52/56/289385256.db2.gz AMIYDWJESPZWBZ-ZDUSSCGKSA-N 0 0 312.797 1.939 50 0 DDAARN 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406625524 /nfs/dbraw/zinc/62/55/24/406625524.db2.gz WBFSQHJOZIVRPP-UHFFFAOYSA-N 0 0 309.322 1.782 50 0 DDAARN COc1ccc(Cl)cc1NC(=O)CSc1nnnn1C ZINC000000172981 406628430 /nfs/dbraw/zinc/62/84/30/406628430.db2.gz PBZRZXXQHWDNDK-UHFFFAOYSA-N 0 0 313.770 1.603 50 0 DDAARN CCOC(=O)COc1cc(OCC(=O)OC)ccc1C(C)=O ZINC000000244058 406634624 /nfs/dbraw/zinc/63/46/24/406634624.db2.gz QHUTZQXQJLXWJH-UHFFFAOYSA-N 0 0 310.302 1.383 50 0 DDAARN CCn1c(S[C@@H](C)C(=O)OC)nc2c(c1=O)S[C@@H](C)C2 ZINC000000250317 406635081 /nfs/dbraw/zinc/63/50/81/406635081.db2.gz DYKNZIPFCUGFRI-YUMQZZPRSA-N 0 0 314.432 1.954 50 0 DDAARN CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(C)c4)C(=O)[C@H]13)O2 ZINC000000488753 406650703 /nfs/dbraw/zinc/65/07/03/406650703.db2.gz WGPUMASERPUING-LDDOYCOJSA-N 0 0 313.353 1.845 50 0 biogenic DDAARN COC(=O)C1=C(O)C(C(=O)c2cc(C)no2)=C(O)CC1(C)C ZINC000000519378 406653000 /nfs/dbraw/zinc/65/30/00/406653000.db2.gz HJKRDCAOKQDPES-QWRGUYRKSA-N 0 0 307.302 1.139 50 0 biogenic DDAARN COc1ccccc1C=CC(=O)NC(=S)NC[C@@H]1CCCO1 ZINC000000516548 406653523 /nfs/dbraw/zinc/65/35/23/406653523.db2.gz AEIKPCUHXPYZKF-XEHSLEBBSA-N 0 0 320.414 1.878 50 0 DDAARN CCC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)OC)cc1 ZINC000000610829 406656580 /nfs/dbraw/zinc/65/65/80/406656580.db2.gz MRURFDGFHIRQMJ-NSHDSACASA-N 0 0 315.391 1.705 50 0 DDAARN Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cnccn1 ZINC000002872586 406703581 /nfs/dbraw/zinc/70/35/81/406703581.db2.gz ZZJLRWUJSLMJAU-UHFFFAOYSA-N 0 0 313.283 1.820 50 0 DDAARN Cc1ccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)cc1 ZINC000000786676 406659569 /nfs/dbraw/zinc/65/95/69/406659569.db2.gz KQSKWNAVGAHNHC-UHFFFAOYSA-N 0 0 310.419 1.774 50 0 DDAARN CCNC(=O)Nn1c(-c2ccccn2)nnc1-c1ccccn1 ZINC000001393458 406668833 /nfs/dbraw/zinc/66/88/33/406668833.db2.gz LAOLZRPAZKTBIB-UHFFFAOYSA-N 0 0 309.333 1.675 50 0 DDAARN Cc1ccc(NC(=O)CN(C)CC(=O)N2CCC[C@@H](C)C2)nc1 ZINC000069015571 406677331 /nfs/dbraw/zinc/67/73/31/406677331.db2.gz VJFMHJOKTAHFQX-CQSZACIVSA-N 0 0 318.421 1.519 50 0 DDAARN CCCCNS(=O)(=O)c1ccc(OCC(=O)OC)cc1 ZINC000002093866 406679851 /nfs/dbraw/zinc/67/98/51/406679851.db2.gz VVEAEVDKIOIKEN-UHFFFAOYSA-N 0 0 301.364 1.317 50 0 DDAARN CCOC(=O)[C@](O)(c1ccc(N(C)C(C)=O)cc1)C(F)(F)F ZINC000002067017 406682267 /nfs/dbraw/zinc/68/22/67/406682267.db2.gz VROVDFRZAZCLKT-CYBMUJFWSA-N 0 0 319.279 1.982 50 0 DDAARN Cc1cc(N2CCN(c3ccc(F)cc3)CC2)n2ncnc2n1 ZINC000002354194 406686374 /nfs/dbraw/zinc/68/63/74/406686374.db2.gz PVQDNCRSRRJOBX-UHFFFAOYSA-N 0 0 312.352 1.898 50 0 DDAARN CCCOc1ccc(C(=O)NC(=S)N2CCOCC2)cc1 ZINC000002377830 406688149 /nfs/dbraw/zinc/68/81/49/406688149.db2.gz SIPBWSNPWLGCJF-UHFFFAOYSA-N 0 0 308.403 1.822 50 0 DDAARN O=C(NC[C@@H]1COc2ccccc2O1)C(=O)NC1CCCCC1 ZINC000002845641 406705032 /nfs/dbraw/zinc/70/50/32/406705032.db2.gz VMPLXWHHZUEZNJ-CYBMUJFWSA-N 0 0 318.373 1.392 50 0 DDAARN CN(C)S(=O)(=O)c1cccc(CSc2cccc[n+]2[O-])c1 ZINC000002618171 406693954 /nfs/dbraw/zinc/69/39/54/406693954.db2.gz YVIWUNMKCOPXSY-UHFFFAOYSA-N 0 0 324.427 1.863 50 0 DDAARN CC(C)[C@H](C(=O)N1CCC[C@@H](n2cccn2)C1)n1cncn1 ZINC000069327374 406694441 /nfs/dbraw/zinc/69/44/41/406694441.db2.gz KOJCTGLJDHLVPS-ZIAGYGMSSA-N 0 0 302.382 1.535 50 0 DDAARN CCn1ncc(NC(=O)c2cccc(OC)c2OC)c1C(N)=O ZINC000002798753 406701264 /nfs/dbraw/zinc/70/12/64/406701264.db2.gz FWAORZIWLXWOTM-UHFFFAOYSA-N 0 0 318.333 1.271 50 0 DDAARN Cc1noc([C@H](C)N2CCN(Cc3nnc(C4CC4)o3)CC2)n1 ZINC000069368454 406702600 /nfs/dbraw/zinc/70/26/00/406702600.db2.gz SDZZDYFPPBHQLA-JTQLQIEISA-N 0 0 318.381 1.517 50 0 DDAARN O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1COc2ccccc2O1 ZINC000000412887 406644614 /nfs/dbraw/zinc/64/46/14/406644614.db2.gz PTMGXYBCYVVVHJ-OAHLLOKOSA-N 0 0 323.312 1.441 50 0 DDAARN CCn1cnnc1C1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000068488081 406644723 /nfs/dbraw/zinc/64/47/23/406644723.db2.gz WNPGJRFWRHWCTA-UHFFFAOYSA-N 0 0 301.350 1.006 50 0 DDAARN Cn1c2c(nc(Cl)n2Cc2ccccc2)c(=O)n(C)c1=O ZINC000000390683 406645435 /nfs/dbraw/zinc/64/54/35/406645435.db2.gz RVRRPZUCNBHWHH-UHFFFAOYSA-N 0 0 304.737 1.135 50 0 DDAARN CC(=O)c1cnn(-c2cc(N3C[C@@H](C)O[C@H](C)C3)ncn2)c1C ZINC000005346601 406732124 /nfs/dbraw/zinc/73/21/24/406732124.db2.gz XIDCJSZHTWKCOM-GHMZBOCLSA-N 0 0 315.377 1.787 50 0 DDAARN CCCNC(=O)[C@@H](C)N1CCN(C(=O)CC2CCCC2)CC1 ZINC000069566469 406733435 /nfs/dbraw/zinc/73/34/35/406733435.db2.gz AEHDOGAUBFGZDC-CQSZACIVSA-N 0 0 309.454 1.626 50 0 DDAARN CC(=O)N(C)c1nc(CN2CCc3cnc(C)nc3C2)cs1 ZINC000069564460 406735226 /nfs/dbraw/zinc/73/52/26/406735226.db2.gz CMOJMWKSGUCIEV-UHFFFAOYSA-N 0 0 317.418 1.783 50 0 DDAARN O=C(Cn1c(=O)onc1-c1ccccn1)N1CCc2ccccc21 ZINC000069558929 406735484 /nfs/dbraw/zinc/73/54/84/406735484.db2.gz FMLXRUORSNAKJJ-UHFFFAOYSA-N 0 0 322.324 1.488 50 0 DDAARN COc1ccc([C@@H]2C[C@H]2C(=O)N(C)CC(=O)N2CCCC2)cc1 ZINC000069571319 406737105 /nfs/dbraw/zinc/73/71/05/406737105.db2.gz ZSXXXVVPZZUPRI-JKSUJKDBSA-N 0 0 316.401 1.880 50 0 DDAARN CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccoc1 ZINC000006571654 406737992 /nfs/dbraw/zinc/73/79/92/406737992.db2.gz 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/nfs/dbraw/zinc/74/27/05/406742705.db2.gz QTZXVKMDPDVILG-UHFFFAOYSA-N 0 0 312.391 1.162 50 0 DDAARN COC(=O)CNC(=O)c1csc(CCc2ccccc2)n1 ZINC000069601790 406744213 /nfs/dbraw/zinc/74/42/13/406744213.db2.gz RUEKSJHDGZRKOP-UHFFFAOYSA-N 0 0 304.371 1.831 50 0 DDAARN Cc1nc2n(n1)C[C@@H](NCc1nc(-c3ccccn3)no1)CC2 ZINC000069632296 406748919 /nfs/dbraw/zinc/74/89/19/406748919.db2.gz XUCHQKXMWHHYOO-NSHDSACASA-N 0 0 311.349 1.136 50 0 DDAARN CCCc1cc(N[C@@H]2CCc3nc(C)nn3C2)n2ncnc2n1 ZINC000069631261 406749434 /nfs/dbraw/zinc/74/94/34/406749434.db2.gz PVBOQOGFWGFZKK-GFCCVEGCSA-N 0 0 312.381 1.404 50 0 DDAARN C[C@H](Sc1nccn1C)C(=O)NC(=O)NCc1ccccc1 ZINC000007061661 406750105 /nfs/dbraw/zinc/75/01/05/406750105.db2.gz SWYQKQAFDBJMHA-NSHDSACASA-N 0 0 318.402 1.927 50 0 DDAARN CC(C)Cc1nc(CN2CCC[C@@H](Cn3cncn3)C2)no1 ZINC000069657776 406751976 /nfs/dbraw/zinc/75/19/76/406751976.db2.gz HWJRJPGVRGHVMC-CYBMUJFWSA-N 0 0 304.398 1.772 50 0 DDAARN C[C@H]1CCC[C@@H]1NC(=O)NCCNC(=O)Cc1ccc(F)cc1 ZINC000069667218 406755021 /nfs/dbraw/zinc/75/50/21/406755021.db2.gz KOYHYNNLOFNAHP-WFASDCNBSA-N 0 0 321.396 1.972 50 0 DDAARN COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NC(C)C ZINC000007458431 406757562 /nfs/dbraw/zinc/75/75/62/406757562.db2.gz MRAATTYZNYHMTG-UHFFFAOYSA-N 0 0 305.309 1.518 50 0 DDAARN CN(Cc1cccc(Cl)c1)C(=O)CSc1nnnn1C ZINC000007465944 406759242 /nfs/dbraw/zinc/75/92/42/406759242.db2.gz BGLSYSUIAKBCQV-UHFFFAOYSA-N 0 0 311.798 1.614 50 0 DDAARN C[C@@H](O)CN1CCN([C@@H](C)C(=O)NC2CCCCCC2)CC1 ZINC000069740252 406765648 /nfs/dbraw/zinc/76/56/48/406765648.db2.gz PCOPETMRNBHXBY-CABCVRRESA-N 0 0 311.470 1.212 50 0 DDAARN C[C@H](O)CN1CCN([C@@H](C)C(=O)NC2CCCCCC2)CC1 ZINC000069740251 406765863 /nfs/dbraw/zinc/76/58/63/406765863.db2.gz PCOPETMRNBHXBY-GJZGRUSLSA-N 0 0 311.470 1.212 50 0 DDAARN CNC(=O)NC(=O)[C@H](SC(=S)N(C)C)c1ccccc1 ZINC000007737426 406766813 /nfs/dbraw/zinc/76/68/13/406766813.db2.gz ZOHYLBJFVSOAKW-SNVBAGLBSA-N 0 0 311.432 1.763 50 0 DDAARN CC(C)CCNC(=O)NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000007737867 406767457 /nfs/dbraw/zinc/76/74/57/406767457.db2.gz NMQSHXCQSNZRQY-UHFFFAOYSA-N 0 0 316.361 1.268 50 0 DDAARN Cc1occc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000069420740 406709291 /nfs/dbraw/zinc/70/92/91/406709291.db2.gz SHHFSJQWADAMSB-UHFFFAOYSA-N 0 0 302.378 1.670 50 0 DDAARN CCO/C=C/[C@](O)(CNC(=O)c1ccncc1)C(F)(F)F ZINC000003186122 406712735 /nfs/dbraw/zinc/71/27/35/406712735.db2.gz DLOGNMRPQWZJBT-ZCRIDZFUSA-N 0 0 304.268 1.655 50 0 DDAARN Cc1ccc(C(=O)OCC(=O)NC(=O)c2cccn2C)cc1 ZINC000003270642 406717071 /nfs/dbraw/zinc/71/70/71/406717071.db2.gz TUHMBMQGGNMMNQ-UHFFFAOYSA-N 0 0 300.314 1.447 50 0 aggregator DDAARN CCNC(=O)NC(=O)COC(=O)COc1ccccc1Cl ZINC000003476016 406719047 /nfs/dbraw/zinc/71/90/47/406719047.db2.gz UYDZIRXOENYBOX-UHFFFAOYSA-N 0 0 314.725 1.108 50 0 DDAARN CCc1nnc2n1CCN(C(=O)c1cnc3ccccc3n1)C2 ZINC000069483774 406719834 /nfs/dbraw/zinc/71/98/34/406719834.db2.gz VWYLQTPSUQDGHJ-UHFFFAOYSA-N 0 0 308.345 1.440 50 0 DDAARN CC(C)OCCCNC(=O)Cn1cnc2ccccc2c1=O ZINC000003476959 406720609 /nfs/dbraw/zinc/72/06/09/406720609.db2.gz UDRHABYFEYXNIS-UHFFFAOYSA-N 0 0 303.362 1.328 50 0 DDAARN COc1ccc(C(=O)N2CCC[C@H](C3OCCO3)C2)c(O)c1 ZINC000069515072 406725503 /nfs/dbraw/zinc/72/55/03/406725503.db2.gz YVGOAVHJHGGOCL-NSHDSACASA-N 0 0 307.346 1.626 50 0 DDAARN C[NH+]1C(C)(C)CC(NC(=O)c2[nH]cnc2C(=O)[O-])CC1(C)C ZINC000004625926 406725759 /nfs/dbraw/zinc/72/57/59/406725759.db2.gz SZJHLZIBLUUVDA-UHFFFAOYSA-N 0 0 308.382 1.489 50 0 DDAARN CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1noc(C2CC2)n1 ZINC000069840915 406778274 /nfs/dbraw/zinc/77/82/74/406778274.db2.gz AMKWBPBNTSOPLQ-KGLIPLIRSA-N 0 0 304.394 1.922 50 0 DDAARN C[C@@H](C(N)=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000008153244 406779177 /nfs/dbraw/zinc/77/91/77/406779177.db2.gz SAQFDXGDKKTFOA-VIFPVBQESA-N 0 0 302.300 1.096 50 0 DDAARN O=C(CN1CC[C@@H](c2ccccc2F)C1)NC[C@@H]1CCCO1 ZINC000069844948 406781602 /nfs/dbraw/zinc/78/16/02/406781602.db2.gz VGGKFZXHDQSYJS-KGLIPLIRSA-N 0 0 306.381 1.910 50 0 DDAARN 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311.393 1.831 50 0 DDAARN COc1cc(C(=O)OCC(=O)N2CCCC2)cc2c1OCCO2 ZINC000007939080 406771921 /nfs/dbraw/zinc/77/19/21/406771921.db2.gz JWRDXPYPHMXWQM-UHFFFAOYSA-N 0 0 321.329 1.246 50 0 DDAARN Cc1nnc2n1CCN(C(=O)[C@@H]1Oc3ccccc3O[C@@H]1C)C2 ZINC000069631042 406748148 /nfs/dbraw/zinc/74/81/48/406748148.db2.gz CEEKTVPRYLLASB-MEBBXXQBSA-N 0 0 314.345 1.157 50 0 DDAARN COCc1cccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000007940936 406772093 /nfs/dbraw/zinc/77/20/93/406772093.db2.gz TWQOYPXTTHDRBM-UHFFFAOYSA-N 0 0 320.370 1.733 50 0 DDAARN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC)C2=O)cc1 ZINC000007126250 406749890 /nfs/dbraw/zinc/74/98/90/406749890.db2.gz ZHVNUQDTLWIZQX-MRXNPFEDSA-N 0 0 303.362 1.152 50 0 DDAARN O=S(=O)(Nc1ccccc1CO)c1ccc2c(c1)OCCO2 ZINC000007158912 406750563 /nfs/dbraw/zinc/75/05/63/406750563.db2.gz XILJLZNNBOTEDG-UHFFFAOYSA-N 0 0 321.354 1.751 50 0 DDAARN COc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)NC1CC1 ZINC000007135505 406751003 /nfs/dbraw/zinc/75/10/03/406751003.db2.gz 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/nfs/dbraw/zinc/76/90/82/406769082.db2.gz OBJTYKRGBHDWPS-VIFPVBQESA-N 0 0 313.448 1.881 50 0 DDAARN Cc1ccccc1OCCn1nnc(-c2ccc(C(N)=O)cc2)n1 ZINC000007875638 406769131 /nfs/dbraw/zinc/76/91/31/406769131.db2.gz AYRVOQPVBKJGDX-UHFFFAOYSA-N 0 0 323.356 1.826 50 0 DDAARN C[C@@H](C(=O)NCCc1ccc(F)cc1)N(C)CC(=O)NC1CC1 ZINC000007791875 406769709 /nfs/dbraw/zinc/76/97/09/406769709.db2.gz AJKHCMKYKMBMDO-LBPRGKRZSA-N 0 0 321.396 1.083 50 0 DDAARN c1cnn(C[C@@H]2CN(Cc3ccc(-n4cccn4)cc3)CCO2)c1 ZINC000069417970 406709025 /nfs/dbraw/zinc/70/90/25/406709025.db2.gz JKBQLUVACACBGP-SFHVURJKSA-N 0 0 323.400 1.970 50 0 DDAARN COc1ccccc1CCNC(=O)NCCC(=O)N1CCCC1 ZINC000069421079 406710181 /nfs/dbraw/zinc/71/01/81/406710181.db2.gz JETJBCUUTQHGKG-UHFFFAOYSA-N 0 0 319.405 1.549 50 0 DDAARN O=C(NCCO)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000003097387 406712018 /nfs/dbraw/zinc/71/20/18/406712018.db2.gz VFUBYRKVTAMKPI-UHFFFAOYSA-N 0 0 310.309 1.209 50 0 DDAARN COc1ccc(C(=O)CSc2nc(OC)cc(=O)[nH]2)cc1 ZINC000003189133 406714233 /nfs/dbraw/zinc/71/42/33/406714233.db2.gz YTISPZGMYORRES-UHFFFAOYSA-N 0 0 306.343 1.762 50 0 DDAARN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1cc[nH]n1 ZINC000069452503 406715871 /nfs/dbraw/zinc/71/58/71/406715871.db2.gz OSBXZASAXUYOAR-UHFFFAOYSA-N 0 0 324.344 1.435 50 0 DDAARN CC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@H](n2cccn2)C1 ZINC000069463859 406717711 /nfs/dbraw/zinc/71/77/11/406717711.db2.gz BCHVMEHQVSSYLL-HOTGVXAUSA-N 0 0 318.421 1.838 50 0 DDAARN CC(C)(C(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1F ZINC000069461997 406717757 /nfs/dbraw/zinc/71/77/57/406717757.db2.gz SKTDWKRSAGKTAZ-UHFFFAOYSA-N 0 0 304.325 1.424 50 0 DDAARN Cc1cnn([C@H]2CCCN(C(=O)COc3cccnc3)C2)c1 ZINC000069456256 406717931 /nfs/dbraw/zinc/71/79/31/406717931.db2.gz LAJADAPGFRFWRZ-AWEZNQCLSA-N 0 0 300.362 1.829 50 0 DDAARN CCCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCC(C)C)[C@@H]3C1=O ZINC000003905466 406719740 /nfs/dbraw/zinc/71/97/40/406719740.db2.gz NIFXRUKLZIIAPQ-UMPJEAMMSA-N 0 0 307.390 1.768 50 0 biogenic DDAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1c[nH]nc1C ZINC000069493836 406723264 /nfs/dbraw/zinc/72/32/64/406723264.db2.gz NIGIZKZGBKBDDK-UHFFFAOYSA-N 0 0 316.361 1.828 50 0 DDAARN Cc1nccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)n1 ZINC000069512145 406725995 /nfs/dbraw/zinc/72/59/95/406725995.db2.gz PEABPALSWCCMCF-MRXNPFEDSA-N 0 0 324.384 1.405 50 0 DDAARN CCOCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccco1 ZINC000069527474 406729694 /nfs/dbraw/zinc/72/96/94/406729694.db2.gz VJKIRTQLCSNEID-GFCCVEGCSA-N 0 0 312.391 1.176 50 0 DDAARN COC(=O)c1ccc(C(=O)NCc2nnc3ccccn32)cc1 ZINC000007898703 406771089 /nfs/dbraw/zinc/77/10/89/406771089.db2.gz MLENCBOCUVSBRX-UHFFFAOYSA-N 0 0 310.313 1.446 50 0 DDAARN CCNS(=O)(=O)c1ccc(C(=O)Nc2cccnc2)cc1 ZINC000008163585 406778503 /nfs/dbraw/zinc/77/85/03/406778503.db2.gz RSRGQBSRQULWFZ-UHFFFAOYSA-N 0 0 305.359 1.632 50 0 DDAARN COC(=O)N1CCC[C@@H](NC(=O)NCc2csc(C)n2)C1 ZINC000069844348 406779175 /nfs/dbraw/zinc/77/91/75/406779175.db2.gz WSABCZUQODMZDU-SNVBAGLBSA-N 0 0 312.395 1.482 50 0 DDAARN COc1ccc(CN(CC(=O)N2CCNC2=O)C2CC2)cc1 ZINC000008156378 406779195 /nfs/dbraw/zinc/77/91/95/406779195.db2.gz DOGFRLUGSRWCND-UHFFFAOYSA-N 0 0 303.362 1.211 50 0 DDAARN COCCCNC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000008247583 406780798 /nfs/dbraw/zinc/78/07/98/406780798.db2.gz IKDZKBTWZIFBHO-GFCCVEGCSA-N 0 0 306.362 1.201 50 0 DDAARN O=C([C@@H]1CCC(=O)N1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000069873126 406784191 /nfs/dbraw/zinc/78/41/91/406784191.db2.gz AZDOADMNXWFDEH-RYUDHWBXSA-N 0 0 302.330 1.357 50 0 DDAARN COc1ccccc1NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000069812256 406777014 /nfs/dbraw/zinc/77/70/14/406777014.db2.gz XLCYZFSYMSNRLN-QWRGUYRKSA-N 0 0 300.380 1.461 50 0 DDAARN NC(=O)NC(=O)[C@H](Sc1nnnn1C1CC1)c1ccccc1 ZINC000008074267 406776992 /nfs/dbraw/zinc/77/69/92/406776992.db2.gz MMYOAJSKVGDYOI-SNVBAGLBSA-N 0 0 318.362 1.036 50 0 DDAARN COC(=O)CSCC(=O)NCc1ccc(OC)c(OC)c1 ZINC000008038973 406777361 /nfs/dbraw/zinc/77/73/61/406777361.db2.gz BJBHWBBRGIFRAF-UHFFFAOYSA-N 0 0 313.375 1.226 50 0 DDAARN C[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O ZINC000008775067 406794735 /nfs/dbraw/zinc/79/47/35/406794735.db2.gz STXVAJRKMYIPOG-SFHVURJKSA-N 0 0 323.352 1.753 50 0 DDAARN CCSc1nnc(NC(=O)CSc2nc[nH]n2)s1 ZINC000008334049 406786130 /nfs/dbraw/zinc/78/61/30/406786130.db2.gz ANNVTRCHOITIQR-UHFFFAOYSA-N 0 0 302.410 1.499 50 0 DDAARN O=c1c2cccnc2nc(SCCO)n1C[C@H]1CCCO1 ZINC000069896482 406788391 /nfs/dbraw/zinc/78/83/91/406788391.db2.gz FVQHNVUCDNOHCZ-SNVBAGLBSA-N 0 0 307.375 1.055 50 0 DDAARN CCc1cc2c(ncnc2SCC(=O)N2CCNC2=O)s1 ZINC000008394807 406788683 /nfs/dbraw/zinc/78/86/83/406788683.db2.gz BTDKWUNXFYHTAI-UHFFFAOYSA-N 0 0 322.415 1.898 50 0 DDAARN Cc1ccc(-n2nc(CO)c(C(=O)NCc3cccnc3)n2)cc1 ZINC000008613395 406789438 /nfs/dbraw/zinc/78/94/38/406789438.db2.gz WTJKZONXGYUEKP-UHFFFAOYSA-N 0 0 323.356 1.393 50 0 DDAARN Cc1ccc([C@H](C)NC(=O)CN(CC(N)=O)C(C)C)cc1C ZINC000008532816 406790107 /nfs/dbraw/zinc/79/01/07/406790107.db2.gz DUMLCLSGALDNPM-AWEZNQCLSA-N 0 0 305.422 1.676 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O=S1(=O)c2ccccc2[C@H]2Sc3ncnc4ncn(c43)[C@@H]21 ZINC000009142752 406801995 /nfs/dbraw/zinc/80/19/95/406801995.db2.gz PXNSENBHHUVNOU-ZWNOBZJWSA-N 0 0 316.367 1.959 50 0 DDAARN COC(=O)CCCNC(=O)N1CCN(c2ccccc2)CC1 ZINC000009157550 406803045 /nfs/dbraw/zinc/80/30/45/406803045.db2.gz DDMQTIAHVORFIM-UHFFFAOYSA-N 0 0 305.378 1.471 50 0 DDAARN CC[C@H](O)CN1CCN(C(=O)c2cnc(C3CC3)s2)CC1 ZINC000070015835 406803108 /nfs/dbraw/zinc/80/31/08/406803108.db2.gz VFBJTEXIFCNSTA-LBPRGKRZSA-N 0 0 309.435 1.549 50 0 DDAARN CC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000008734591 406795846 /nfs/dbraw/zinc/79/58/46/406795846.db2.gz NPWDEMKHXZKVFO-UHFFFAOYSA-N 0 0 312.369 1.909 50 0 DDAARN CC[C@H](O)CN1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000069951495 406797130 /nfs/dbraw/zinc/79/71/30/406797130.db2.gz TWPZZSZYVYCDIG-AWEZNQCLSA-N 0 0 310.825 1.798 50 0 DDAARN Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1nccnc1N ZINC000009737644 406813879 /nfs/dbraw/zinc/81/38/79/406813879.db2.gz SBIOGHFKZJQCGE-SNVBAGLBSA-N 0 0 300.318 1.551 50 0 DDAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1)c1ccco1 ZINC000010088861 406819493 /nfs/dbraw/zinc/81/94/93/406819493.db2.gz KYLIQTQXGHFPNB-ZDUSSCGKSA-N 0 0 312.366 2.000 50 0 DDAARN CNC(=O)C1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000010885267 406824224 /nfs/dbraw/zinc/82/42/24/406824224.db2.gz KTIYZDSVZIZSEJ-UHFFFAOYSA-N 0 0 303.362 1.243 50 0 DDAARN CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000011236707 406825230 /nfs/dbraw/zinc/82/52/30/406825230.db2.gz QLETZUKVQWPXGW-UHFFFAOYSA-N 0 0 308.334 1.986 50 0 DDAARN Cn1c(CSc2nc3ccccc3s2)cc(=O)n(C)c1=O ZINC000011297097 406827376 /nfs/dbraw/zinc/82/73/76/406827376.db2.gz YYRRALQBMCRMQY-UHFFFAOYSA-N 0 0 319.411 1.986 50 0 DDAARN Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NCc1ccco1 ZINC000011635277 406828844 /nfs/dbraw/zinc/82/88/44/406828844.db2.gz LQZKYHVVXMUSSU-UHFFFAOYSA-N 0 0 307.331 1.236 50 0 DDAARN Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1ccc(C)cc1 ZINC000011690284 406829063 /nfs/dbraw/zinc/82/90/63/406829063.db2.gz GCEKPXMDEDOQEO-CQSZACIVSA-N 0 0 300.362 1.793 50 0 DDAARN CC(C)[C@H](NC(N)=O)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000011562692 406829285 /nfs/dbraw/zinc/82/92/85/406829285.db2.gz XEOSFVMIRKEZJA-AWEZNQCLSA-N 0 0 315.377 1.181 50 0 DDAARN COC(=O)c1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000011690365 406829440 /nfs/dbraw/zinc/82/94/40/406829440.db2.gz AYUSTJNIYNDYJT-UHFFFAOYSA-N 0 0 323.312 1.701 50 0 DDAARN O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCOCC1 ZINC000011874396 406831701 /nfs/dbraw/zinc/83/17/01/406831701.db2.gz RABCXPQLQFJIDN-UHFFFAOYSA-N 0 0 306.753 1.452 50 0 DDAARN COCCC(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 ZINC000012124332 406835419 /nfs/dbraw/zinc/83/54/19/406835419.db2.gz WGXCZXZAQQBHCE-AWEZNQCLSA-N 0 0 313.357 1.600 50 0 DDAARN COc1ccc(NC(=O)C[C@H](C[NH+]2CCCC2)C(=O)[O-])cc1 ZINC000071279957 406836303 /nfs/dbraw/zinc/83/63/03/406836303.db2.gz GVQMQTFDMJOTSB-GFCCVEGCSA-N 0 0 306.362 1.820 50 0 DDAARN CCOC(=O)[C@H]1CCCN(NC(=O)c2cccc3c2OCC3)C1 ZINC000071315642 406837264 /nfs/dbraw/zinc/83/72/64/406837264.db2.gz CXCCBRNYSALAEQ-ZDUSSCGKSA-N 0 0 318.373 1.541 50 0 DDAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H]1C1CCCCC1 ZINC000071821331 406846095 /nfs/dbraw/zinc/84/60/95/406846095.db2.gz MRYNZYVZBFBSGG-ZDUSSCGKSA-N 0 0 305.378 1.108 50 0 DDAARN CC(=O)c1c[nH]c(C(=O)NCc2ccc(-n3ccnc3)nc2)c1 ZINC000012544592 406846854 /nfs/dbraw/zinc/84/68/54/406846854.db2.gz BJKUMENVVARAJX-UHFFFAOYSA-N 0 0 309.329 1.728 50 0 DDAARN CN1CC(=O)N(CCCC(=O)N2CC[C@@H]2c2ccccc2)C1=O ZINC000071822694 406847135 /nfs/dbraw/zinc/84/71/35/406847135.db2.gz MNCYHPLFGCSTMP-CQSZACIVSA-N 0 0 315.373 1.634 50 0 DDAARN CN(Cc1cccs1)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000012549861 406848085 /nfs/dbraw/zinc/84/80/85/406848085.db2.gz FRNUCBSGMNMOSE-CHWSQXEVSA-N 0 0 318.398 1.658 50 0 DDAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cccs1 ZINC000012590733 406848630 /nfs/dbraw/zinc/84/86/30/406848630.db2.gz KPINENMHBDBHJW-STQMWFEESA-N 0 0 320.414 1.930 50 0 DDAARN CCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000012686696 406849245 /nfs/dbraw/zinc/84/92/45/406849245.db2.gz 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CNC(=O)c1cccc(NC(=O)CCc2nc3cccnc3[nH]2)c1 ZINC000079493963 407055912 /nfs/dbraw/zinc/05/59/12/407055912.db2.gz VMVRODAUDUIWBA-UHFFFAOYSA-N 0 0 323.356 1.889 50 0 DDAARN C[C@@H](C(=O)NCCc1ccncc1)N1Cc2ccccc2C1=O ZINC000079492719 407056020 /nfs/dbraw/zinc/05/60/20/407056020.db2.gz HZXZWEPHXXBFST-ZDUSSCGKSA-N 0 0 309.369 1.785 50 0 DDAARN CCN1C[C@@H](C(=O)N2CCN(Cc3cccs3)CC2)CC1=O ZINC000046164227 407056643 /nfs/dbraw/zinc/05/66/43/407056643.db2.gz DPUJLJUSKJAYJF-ZDUSSCGKSA-N 0 0 321.446 1.261 50 0 DDAARN CC(C)(C)c1cc(NC(=O)CC2(CS(C)(=O)=O)CC2)n[nH]1 ZINC000080066846 407070376 /nfs/dbraw/zinc/07/03/76/407070376.db2.gz JXUZLBZCNCBGDZ-UHFFFAOYSA-N 0 0 313.423 1.861 50 0 DDAARN O=S(=O)(c1cccnc1)N1CCN(Cc2ccsc2)CC1 ZINC000047671311 407079019 /nfs/dbraw/zinc/07/90/19/407079019.db2.gz KAXHOPKMDAVEGO-UHFFFAOYSA-N 0 0 323.443 1.650 50 0 DDAARN Cc1ccc([C@@H]2CN(CCN3C(=O)CNC3=O)CCO2)c(C)c1 ZINC000089612109 407142257 /nfs/dbraw/zinc/14/22/57/407142257.db2.gz LGNUBVDPVFKUCK-HNNXBMFYSA-N 0 0 317.389 1.229 50 0 DDAARN Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)s1 ZINC000089657262 407143606 /nfs/dbraw/zinc/14/36/06/407143606.db2.gz YXJOZZLMSJHZQZ-KRWDZBQOSA-N 0 0 307.462 1.588 50 0 DDAARN O=C(c1cccc(Cl)c1Cl)N1CCN(CCO)C(=O)C1 ZINC000089768058 407148410 /nfs/dbraw/zinc/14/84/10/407148410.db2.gz FCZBUWZJVNELNH-UHFFFAOYSA-N 0 0 317.172 1.270 50 0 DDAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CNC(=O)N1 ZINC000089787949 407149873 /nfs/dbraw/zinc/14/98/73/407149873.db2.gz QCIUPJMRURIWEG-NSHDSACASA-N 0 0 320.349 1.493 50 0 DDAARN O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@H]1CCOC1 ZINC000089794214 407150229 /nfs/dbraw/zinc/15/02/29/407150229.db2.gz CRVBBSKANWDQTC-VIFPVBQESA-N 0 0 304.268 1.632 50 0 DDAARN Cc1nnc(CN2CCN(C(=O)Cc3ccccc3)CC2)n1C ZINC000052780651 407156765 /nfs/dbraw/zinc/15/67/65/407156765.db2.gz VKBNSIGRKSZVJG-UHFFFAOYSA-N 0 0 313.405 1.010 50 0 DDAARN COc1ccc(-n2ccc(C(=O)N[C@H](C)CC(C)=O)n2)cc1 ZINC000089894479 407156776 /nfs/dbraw/zinc/15/67/76/407156776.db2.gz HRPOXLXPRZKWJG-LLVKDONJSA-N 0 0 301.346 1.978 50 0 DDAARN CN(CC(N)=O)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000052832150 407158347 /nfs/dbraw/zinc/15/83/47/407158347.db2.gz JJCWTVUTGBIJGD-UHFFFAOYSA-N 0 0 321.396 1.171 50 0 DDAARN C[C@H]1SCCN(C(=O)c2cnc3sccn3c2=O)[C@H]1C ZINC000089920065 407158775 /nfs/dbraw/zinc/15/87/75/407158775.db2.gz NPLVCMGTKPBWHV-DTWKUNHWSA-N 0 0 309.416 1.722 50 0 DDAARN C[C@H]1CN(C)CCN1C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000089938842 407160827 /nfs/dbraw/zinc/16/08/27/407160827.db2.gz WAWPBIRYVVDJDA-JTQLQIEISA-N 0 0 305.407 1.320 50 0 DDAARN O=C(c1cn(Cc2ccccc2)nn1)N1CCO[C@@H]2CCC[C@H]21 ZINC000053382957 407167817 /nfs/dbraw/zinc/16/78/17/407167817.db2.gz INRLOFUUGHNSAT-HZPDHXFCSA-N 0 0 312.373 1.720 50 0 DDAARN COc1cccc(OCC(=O)N2CCC(CC(N)=O)CC2)c1 ZINC000053890858 407174388 /nfs/dbraw/zinc/17/43/88/407174388.db2.gz XSKZDDJRGRQFCD-UHFFFAOYSA-N 0 0 306.362 1.188 50 0 DDAARN Cn1cc(C(=O)N2CCC(CC(N)=O)CC2)c(C(F)(F)F)n1 ZINC000054005331 407176899 /nfs/dbraw/zinc/17/68/99/407176899.db2.gz CNKMZNBVXZMREO-UHFFFAOYSA-N 0 0 318.299 1.167 50 0 DDAARN Cc1c(C(=O)N2CCO[C@@H](C)C2)sc2ncn(C)c(=O)c12 ZINC000054134477 407179605 /nfs/dbraw/zinc/17/96/05/407179605.db2.gz BQKKEEWPYGJOMJ-QMMMGPOBSA-N 0 0 307.375 1.164 50 0 DDAARN CCSc1nc(CC(=O)NCCc2cc(=O)[nH]cn2)cs1 ZINC000055109272 407194750 /nfs/dbraw/zinc/19/47/50/407194750.db2.gz NPLLFIPYVHBZMV-UHFFFAOYSA-N 0 0 324.431 1.240 50 0 DDAARN Cc1noc([C@H]2CCCN(C(=O)c3cccnc3N(C)C)C2)n1 ZINC000054662369 407187693 /nfs/dbraw/zinc/18/76/93/407187693.db2.gz DADKYPCTXRFSDS-LBPRGKRZSA-N 0 0 315.377 1.859 50 0 DDAARN CN1CCN(c2ncnc(-c3ccc(F)cc3F)c2N)CC1 ZINC000096282130 407258404 /nfs/dbraw/zinc/25/84/04/407258404.db2.gz SXRSPLUJRPFGEB-UHFFFAOYSA-N 0 0 305.332 1.756 50 0 DDAARN COc1nn(C)cc1C(=O)NC[C@@](C)(OC)c1ccccc1F ZINC000096390792 407259946 /nfs/dbraw/zinc/25/99/46/407259946.db2.gz WEGKDBAOCCMRCN-MRXNPFEDSA-N 0 0 321.352 1.859 50 0 DDAARN Cc1ccc2nc(C)c(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cc2c1 ZINC000055120463 407195534 /nfs/dbraw/zinc/19/55/34/407195534.db2.gz GOMUVCQEZSNZEJ-CYBMUJFWSA-N 0 0 316.382 1.892 50 0 DDAARN CCCNC(=O)CNS(=O)(=O)c1cccc2cnccc21 ZINC000055217961 407198095 /nfs/dbraw/zinc/19/80/95/407198095.db2.gz SZUSAWRYUPTCDS-UHFFFAOYSA-N 0 0 307.375 1.039 50 0 DDAARN CCc1nnc(SCC(=O)NCCCC[C@H]2CCCO2)[nH]1 ZINC000055270273 407199504 /nfs/dbraw/zinc/19/95/04/407199504.db2.gz AGAMVEFLZGGTDS-NSHDSACASA-N 0 0 312.439 1.925 50 0 DDAARN Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H]1CCOC1 ZINC000055337396 407201597 /nfs/dbraw/zinc/20/15/97/407201597.db2.gz JMSHRKRUNDARFV-SNVBAGLBSA-N 0 0 304.375 1.675 50 0 DDAARN CC[C@H](CO)N(Cc1cccnc1)Cc1cnc(OC)nc1 ZINC000055344137 407201830 /nfs/dbraw/zinc/20/18/30/407201830.db2.gz RIIQPOBZFMPYAB-OAHLLOKOSA-N 0 0 302.378 1.653 50 0 DDAARN CCS(=O)(=O)N[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000096409599 407261607 /nfs/dbraw/zinc/26/16/07/407261607.db2.gz SISMHAZTCXOKFZ-LBPRGKRZSA-N 0 0 314.382 1.569 50 0 DDAARN CN(C)[C@H](C(=O)N(C)Cc1cnccn1)c1cccc(F)c1 ZINC000095356094 407208258 /nfs/dbraw/zinc/20/82/58/407208258.db2.gz GSVGFQOJYXJKNJ-HNNXBMFYSA-N 0 0 302.353 1.877 50 0 DDAARN COc1cccc2c1OC[C@@H](C(=O)N(C)CCn1ccnc1)C2 ZINC000095359664 407208800 /nfs/dbraw/zinc/20/88/00/407208800.db2.gz VHFMIMQLPBCMEE-AWEZNQCLSA-N 0 0 315.373 1.601 50 0 DDAARN CCCn1cnnc1CNC(=O)c1cnc(-c2ccncc2)nc1 ZINC000095366973 407210158 /nfs/dbraw/zinc/21/01/58/407210158.db2.gz CUWOMIKYLGXTFQ-UHFFFAOYSA-N 0 0 323.360 1.470 50 0 DDAARN COc1cc(C[C@H]2COc3c(cccc3OC)C2)nc(N)n1 ZINC000095372515 407210770 /nfs/dbraw/zinc/21/07/70/407210770.db2.gz PLAQTNVKOHEIRS-JTQLQIEISA-N 0 0 301.346 1.870 50 0 DDAARN CN(Cc1ccon1)C(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000095377216 407211178 /nfs/dbraw/zinc/21/11/78/407211178.db2.gz AJROBPJGHFAKJU-ZDUSSCGKSA-N 0 0 314.345 1.077 50 0 DDAARN CC(C)[C@@H]1CN(C(=O)c2ccnc(N)c2)C[C@H]1NC(=O)N(C)C ZINC000095384544 407212274 /nfs/dbraw/zinc/21/22/74/407212274.db2.gz UJQIERHQPDRXGW-QWHCGFSZSA-N 0 0 319.409 1.032 50 0 DDAARN Cn1ncc(N2CC[C@]3(CCOC3)C2)c(Br)c1=O ZINC000095410706 407213493 /nfs/dbraw/zinc/21/34/93/407213493.db2.gz CCPMYSIHWGHGQA-LBPRGKRZSA-N 0 0 314.183 1.160 50 0 DDAARN O[C@H](COc1ccc(Cl)c2cccnc12)CN1CCOCC1 ZINC000095439028 407214346 /nfs/dbraw/zinc/21/43/46/407214346.db2.gz OOOCMTFLAPTGMT-LBPRGKRZSA-N 0 0 322.792 1.960 50 0 DDAARN Cc1c(C(=O)Nc2ncc[nH]2)sc2nc3n(c(=O)c12)CCC3 ZINC000095478136 407214727 /nfs/dbraw/zinc/21/47/27/407214727.db2.gz PWVSNGYEMGXYAY-UHFFFAOYSA-N 0 0 315.358 1.110 50 0 DDAARN O=C(c1nnc2ccc(N3CCOCC3)cc2n1)N1CCCC1 ZINC000057280179 407214782 /nfs/dbraw/zinc/21/47/82/407214782.db2.gz DZZYYMXTKDDFJM-UHFFFAOYSA-N 0 0 313.361 1.097 50 0 DDAARN CO[C@@H]1CCCN(c2cc(N3CCC[C@H](OC)C3)ncn2)C1 ZINC000095946004 407215716 /nfs/dbraw/zinc/21/57/16/407215716.db2.gz AIIQTTGIYSQCOA-OKILXGFUSA-N 0 0 306.410 1.707 50 0 DDAARN COc1cccc(CC(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)c1 ZINC000095943953 407215988 /nfs/dbraw/zinc/21/59/88/407215988.db2.gz ABGUNIPWHHKZPL-QGZVFWFLSA-N 0 0 323.389 1.447 50 0 DDAARN Cc1nc([C@@H]2CN(CCOc3ccc(F)cc3)CCO2)no1 ZINC000095958084 407217336 /nfs/dbraw/zinc/21/73/36/407217336.db2.gz FCQCNQOUYDUTNL-AWEZNQCLSA-N 0 0 307.325 1.969 50 0 DDAARN Cc1noc([C@H]2CCCN(C(=O)NC3CCC(O)CC3)C2)n1 ZINC000057774232 407217472 /nfs/dbraw/zinc/21/74/72/407217472.db2.gz XRUXZNKHCOXYHI-HIFPTAJRSA-N 0 0 308.382 1.571 50 0 DDAARN COc1ccc2c(CN(C)CC(=O)N(C)C)cc(=O)oc2c1 ZINC000057886789 407218194 /nfs/dbraw/zinc/21/81/94/407218194.db2.gz YKPLOJXCUHSQAY-UHFFFAOYSA-N 0 0 304.346 1.322 50 0 DDAARN O=c1nc(Cn2cncn2)[nH]c2sc3c(c21)CCCCC3 ZINC000095975416 407219356 /nfs/dbraw/zinc/21/93/56/407219356.db2.gz FVMPMTRCWXJWMF-UHFFFAOYSA-N 0 0 301.375 1.893 50 0 DDAARN O=S(=O)([C@H]1CCN(c2nc3ccccc3[nH]2)C1)N1CCCC1 ZINC000095977461 407219448 /nfs/dbraw/zinc/21/94/48/407219448.db2.gz KNBMUZOKVHSPBE-LBPRGKRZSA-N 0 0 320.418 1.567 50 0 DDAARN CCN(CCO)C(=O)Nc1cnn(-c2ncccc2Cl)c1 ZINC000095977723 407220204 /nfs/dbraw/zinc/22/02/04/407220204.db2.gz PXVANUYTVLUGNY-UHFFFAOYSA-N 0 0 309.757 1.767 50 0 DDAARN CCOc1ccc(CCC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000058341732 407220549 /nfs/dbraw/zinc/22/05/49/407220549.db2.gz KFLSFHCZTCPULW-INIZCTEOSA-N 0 0 306.406 1.465 50 0 DDAARN Cc1nc(CN2CCN(c3nncc4ccccc43)CC2)no1 ZINC000095978865 407220592 /nfs/dbraw/zinc/22/05/92/407220592.db2.gz UKSCHOCMLJZGHG-UHFFFAOYSA-N 0 0 310.361 1.643 50 0 DDAARN O=C(NCCCNC(=O)[C@@H]1CC=CCC1)c1cccc(O)c1 ZINC000058343384 407221027 /nfs/dbraw/zinc/22/10/27/407221027.db2.gz XKGNXXGAEUQCDL-CYBMUJFWSA-N 0 0 302.374 1.985 50 0 DDAARN C[C@@]1(C2CC2)NC(=O)N(Cc2ccc(-n3cccn3)nc2)C1=O ZINC000095992459 407221834 /nfs/dbraw/zinc/22/18/34/407221834.db2.gz URVINSMZHVINMW-INIZCTEOSA-N 0 0 311.345 1.488 50 0 DDAARN Cc1cccc(C(=O)N[C@H]2CCCc3cn(CC(N)=O)nc32)c1 ZINC000096002895 407222489 /nfs/dbraw/zinc/22/24/89/407222489.db2.gz FCDHNCOIAHCUAZ-AWEZNQCLSA-N 0 0 312.373 1.484 50 0 DDAARN NC(=O)c1cnc(N2CCC(n3ccnn3)CC2)c(Cl)c1 ZINC000095999396 407223170 /nfs/dbraw/zinc/22/31/70/407223170.db2.gz DDRAWBVIECEJQR-UHFFFAOYSA-N 0 0 306.757 1.267 50 0 DDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H](C)CO1 ZINC000096007592 407223723 /nfs/dbraw/zinc/22/37/23/407223723.db2.gz KKMDUOAWZZDGCG-RKDXNWHRSA-N 0 0 324.324 1.898 50 0 DDAARN CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000058962947 407223740 /nfs/dbraw/zinc/22/37/40/407223740.db2.gz PGGLHVGHPNASCT-INIZCTEOSA-N 0 0 316.401 1.993 50 0 DDAARN CCOC(=O)CCC(=O)N1CCC(Oc2ccccn2)CC1 ZINC000096024666 407224676 /nfs/dbraw/zinc/22/46/76/407224676.db2.gz XFNSSZSNPFJOOO-UHFFFAOYSA-N 0 0 306.362 1.795 50 0 DDAARN O=C(C1CCN(c2cnc3nccnc3c2)CC1)N1CCCC1 ZINC000096101903 407236990 /nfs/dbraw/zinc/23/69/90/407236990.db2.gz WEUVTXHJJLGPGK-UHFFFAOYSA-N 0 0 311.389 1.864 50 0 DDAARN Cc1cc(=O)[nH]c(CCNC(=O)Nc2ccc3c(c2)COC3)n1 ZINC000096136819 407239916 /nfs/dbraw/zinc/23/99/16/407239916.db2.gz CDHNNRRQWNCGKZ-UHFFFAOYSA-N 0 0 314.345 1.473 50 0 DDAARN CCn1nc(Cc2cccs2)nc1[C@H]1NCCc2nc[nH]c21 ZINC000096136352 407239934 /nfs/dbraw/zinc/23/99/34/407239934.db2.gz VYRQNHITBCNNFE-AWEZNQCLSA-N 0 0 314.418 1.909 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COCc1noc(CN[C@H](C)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000180242721 697446663 /nfs/dbraw/zinc/44/66/63/697446663.db2.gz QSSLVTSDHOBLPV-SECBINFHSA-N 0 0 318.333 1.398 50 0 DDAARN O=C(C=c1[nH]c(=O)c(=Cc2ccsc2)s1)c1ccncc1 ZINC000254393420 698407159 /nfs/dbraw/zinc/40/71/59/698407159.db2.gz JUGUPDWYWPEWHR-UHFFFAOYSA-N 0 0 314.391 1.385 50 0 DDAARN CCCn1cnnc1CNC(=O)N1CC(c2ccncc2)C1 ZINC000426526842 699155640 /nfs/dbraw/zinc/15/56/40/699155640.db2.gz HKDREUUFKQKQJQ-UHFFFAOYSA-N 0 0 300.366 1.392 50 0 DDAARN CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(O)cc2)s1 ZINC000871101635 704217556 /nfs/dbraw/zinc/21/75/56/704217556.db2.gz VHVOBDZJNJYNRB-NSHDSACASA-N 0 0 304.375 1.626 50 0 DDAARN CCC(CC)(NS(=O)(=O)c1cccc2ccncc21)C(N)=O ZINC000929084577 713543077 /nfs/dbraw/zinc/54/30/77/713543077.db2.gz CKBLUNASEYPNPJ-UHFFFAOYSA-N 0 0 321.402 1.557 50 0 DDAARN COc1ccc(-n2cnnc2)cc1NC(=O)c1cc(C)nc(C)n1 ZINC000952965200 721528802 /nfs/dbraw/zinc/52/88/02/721528802.db2.gz CUTHSDGUHOZFFA-UHFFFAOYSA-N 0 0 324.344 1.935 50 0 DDAARN Cc1ccc(N2CCC(CNC(=O)[C@H]3CCOC3)CC2)nn1 ZINC000952973446 721530202 /nfs/dbraw/zinc/53/02/02/721530202.db2.gz NXUIQUOKSIGKMA-AWEZNQCLSA-N 0 0 304.394 1.154 50 0 DDAARN CCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)N(C)C ZINC000952979822 721531211 /nfs/dbraw/zinc/53/12/11/721531211.db2.gz OTPNHXSAEQNDKZ-UHFFFAOYSA-N 0 0 324.406 1.673 50 0 DDAARN COCC(=O)Nc1ccc(OC)cc1NC(=O)c1ccnn1C ZINC000952981931 721531659 /nfs/dbraw/zinc/53/16/59/721531659.db2.gz PWIKNZVEJPXXQC-UHFFFAOYSA-N 0 0 318.333 1.266 50 0 DDAARN CCN(Cc1c(C)nn(CC)c1C)C(=O)[C@@H]1CCCN1C(N)=O ZINC000952984734 721531884 /nfs/dbraw/zinc/53/18/84/721531884.db2.gz AHMRQPALQLVGOH-AWEZNQCLSA-N 0 0 321.425 1.411 50 0 DDAARN COc1nccnc1N1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000952989067 721533155 /nfs/dbraw/zinc/53/31/55/721533155.db2.gz HAOFMCCQJPJQNX-LBPRGKRZSA-N 0 0 316.361 1.725 50 0 DDAARN CC(C)CN1C[C@@H](C(=O)N2CC[C@H](c3ncccn3)C2)CC1=O ZINC000952992509 721533912 /nfs/dbraw/zinc/53/39/12/721533912.db2.gz GYTCJKIJXIUIQL-KBPBESRZSA-N 0 0 316.405 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COC[C@H](C)N1C[C@@H](C(=O)N(C)Cc2ccccc2)CC1=O ZINC000008234990 406781145 /nfs/dbraw/zinc/78/11/45/406781145.db2.gz DAZBRLUKNPTXJJ-ZFWWWQNUSA-N 0 0 304.390 1.528 50 0 DDAARN O=C(NCc1ccccc1CO)C(=O)Nc1cc(F)cc(F)c1 ZINC000069812787 406776833 /nfs/dbraw/zinc/77/68/33/406776833.db2.gz ITXWCTPCRRMWAH-UHFFFAOYSA-N 0 0 320.295 1.712 50 0 DDAARN CCOc1cc(C)nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000069840756 406777737 /nfs/dbraw/zinc/77/77/37/406777737.db2.gz SJDJWAOUQCQKHT-CYBMUJFWSA-N 0 0 320.393 1.011 50 0 DDAARN O=C(C[C@H]1OC(=O)c2ccccc21)NCc1nnc2ccccn21 ZINC000008343426 406785874 /nfs/dbraw/zinc/78/58/74/406785874.db2.gz UKYRRTNNBOBMKY-CYBMUJFWSA-N 0 0 322.324 1.647 50 0 DDAARN C[C@@H](C(=O)NCc1ccc(F)cc1)N(C)CCN1CCOCC1 ZINC000069876848 406786164 /nfs/dbraw/zinc/78/61/64/406786164.db2.gz VQFVZMMBUBOJFH-AWEZNQCLSA-N 0 0 323.412 1.094 50 0 DDAARN C[C@@H](SCc1ccccc1)C(=O)NCCc1nncn1C ZINC000069897040 406788789 /nfs/dbraw/zinc/78/87/89/406788789.db2.gz RMLOJHAVSFVGHN-GFCCVEGCSA-N 0 0 304.419 1.796 50 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CCc1ccc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)o1 ZINC000072287569 191105978 /nfs/dbraw/zinc/10/59/78/191105978.db2.gz WVTWTXGNQQUGJE-ZDUSSCGKSA-N 0 0 314.407 1.556 50 0 DDAARN CC(C)N1C[C@H](NC(=O)NCCOc2ccccc2)CC1=O ZINC000072293232 191109474 /nfs/dbraw/zinc/10/94/74/191109474.db2.gz LYMHAMXBHAFXHC-CYBMUJFWSA-N 0 0 305.378 1.374 50 0 DDAARN Cc1csc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 ZINC000072298799 191113951 /nfs/dbraw/zinc/11/39/51/191113951.db2.gz WNCZMQXWGZRBCS-GFCCVEGCSA-N 0 0 307.419 1.780 50 0 DDAARN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000072300196 191114003 /nfs/dbraw/zinc/11/40/03/191114003.db2.gz FAKAEDKRXZKPBC-ZIAGYGMSSA-N 0 0 313.423 1.022 50 0 DDAARN O=C(c1cccc(O)c1)N1CCN(c2cccc(F)n2)CC1 ZINC000072302094 191115824 /nfs/dbraw/zinc/11/58/24/191115824.db2.gz UDBRBLIUSOQVSG-UHFFFAOYSA-N 0 0 301.321 1.889 50 0 DDAARN COCCC1(CNC(=O)Nc2ccc(C(=O)OC)nn2)CC1 ZINC000225634279 186285411 /nfs/dbraw/zinc/28/54/11/186285411.db2.gz FEEFLAZPICHIBZ-UHFFFAOYSA-N 0 0 308.338 1.201 50 0 DDAARN 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CC(=O)N[C@H](C)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000012791488 406852528 /nfs/dbraw/zinc/85/25/28/406852528.db2.gz MCHINBSAZPVGNH-QMTHXVAHSA-N 0 0 304.346 1.074 50 0 DDAARN C[C@H]1NC(=S)N(CCOc2cccc3c2OC(C)(C)C3)C1=O ZINC000027223906 406908550 /nfs/dbraw/zinc/90/85/50/406908550.db2.gz PULOOIQUYYZARX-SNVBAGLBSA-N 0 0 320.414 1.884 50 0 DDAARN CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012794363 406853178 /nfs/dbraw/zinc/85/31/78/406853178.db2.gz AZZAZMODHIBWFK-GHMZBOCLSA-N 0 0 318.373 1.570 50 0 DDAARN C[C@H](Sc1nnc(C2CCCC2)[nH]1)C(=O)N1CCNC1=O ZINC000012897462 406853676 /nfs/dbraw/zinc/85/36/76/406853676.db2.gz TULCZHRHMSLIHQ-QMMMGPOBSA-N 0 0 309.395 1.495 50 0 DDAARN COc1cc(OC)c(Nc2ccc3nnnn3n2)cc1Cl ZINC000012897314 406853713 /nfs/dbraw/zinc/85/37/13/406853713.db2.gz KYEHBUVTAHWVKE-UHFFFAOYSA-N 0 0 306.713 1.934 50 0 DDAARN CCN(CC)C(=O)c1cccc(NC(=O)CCNC(C)=O)c1 ZINC000012909353 406855400 /nfs/dbraw/zinc/85/54/00/406855400.db2.gz UOFBIAVDIVLRTI-UHFFFAOYSA-N 0 0 305.378 1.633 50 0 DDAARN O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1cccc(F)c1 ZINC000012971987 406855612 /nfs/dbraw/zinc/85/56/12/406855612.db2.gz SCUULMGWMLDITD-UHFFFAOYSA-N 0 0 305.353 1.318 50 0 DDAARN CCCCCNC(=O)/C=C/c1ccc(OCC(N)=O)c(OC)c1 ZINC000012994527 406857299 /nfs/dbraw/zinc/85/72/99/406857299.db2.gz IKVVFPRIHKNAAC-VQHVLOKHSA-N 0 0 320.389 1.879 50 0 DDAARN CCn1c(C(=O)N2CCN(C[C@H](C)O)CC2)cc2ccccc21 ZINC000071871337 406857483 /nfs/dbraw/zinc/85/74/83/406857483.db2.gz KQWYCNQKILFMIC-AWEZNQCLSA-N 0 0 315.417 1.800 50 0 DDAARN COc1cccc(N2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)c1 ZINC000013119482 406858491 /nfs/dbraw/zinc/85/84/91/406858491.db2.gz YEYISXOTXNLLCK-UHFFFAOYSA-N 0 0 314.389 1.722 50 0 DDAARN COC(=O)[C@](NC(C)=O)(Nc1cccc(C)n1)C(F)(F)F ZINC000013142110 406859273 /nfs/dbraw/zinc/85/92/73/406859273.db2.gz FHVAHBPXDAKACK-NSHDSACASA-N 0 0 305.256 1.370 50 0 DDAARN CCOC(=O)[C@H](C(=O)c1ccccc1)[C@@H]1C[C@@H](C)NC(=S)N1 ZINC000013545823 406862131 /nfs/dbraw/zinc/86/21/31/406862131.db2.gz 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/nfs/dbraw/zinc/87/17/41/406871741.db2.gz ZBCWUCRGTXMOHF-UHFFFAOYSA-N 0 0 301.331 1.354 50 0 DDAARN CC(=O)N1CCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000014161022 406872103 /nfs/dbraw/zinc/87/21/03/406872103.db2.gz XUILHXZAGZCYBP-GFCCVEGCSA-N 0 0 323.824 1.509 50 0 DDAARN CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccs2)NC(=S)N1 ZINC000014171164 406872206 /nfs/dbraw/zinc/87/22/06/406872206.db2.gz IBRISGFLGWXHDQ-GFCCVEGCSA-N 0 0 323.443 1.400 50 0 DDAARN Cc1cc(Nc2ccc3nnnn3n2)ccc1N1CCCC1=O ZINC000014320753 406874816 /nfs/dbraw/zinc/87/48/16/406874816.db2.gz KQXCLOHIWREATG-UHFFFAOYSA-N 0 0 309.333 1.698 50 0 DDAARN O=C(Cc1ccc2c(c1)CCO2)N1CCN(c2ncccn2)CC1 ZINC000014270983 406875032 /nfs/dbraw/zinc/87/50/32/406875032.db2.gz WEFFZLDWPLUGDF-UHFFFAOYSA-N 0 0 324.384 1.303 50 0 DDAARN CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1nccs1 ZINC000072268573 406876015 /nfs/dbraw/zinc/87/60/15/406876015.db2.gz CCMRIPWQQQQCEM-OLZOCXBDSA-N 0 0 322.434 1.557 50 0 DDAARN CCc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)s1 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Cc1ccc([C@H]2CCCN2S(=O)(=O)N2CCOC[C@@H]2C)o1 ZINC000072298306 406879110 /nfs/dbraw/zinc/87/91/10/406879110.db2.gz WIBRSPNDIHKZML-WCQYABFASA-N 0 0 314.407 1.690 50 0 DDAARN C[C@H](CCc1ccccc1F)C(=O)NCC(=O)Nc1cn[nH]c1 ZINC000072302830 406880590 /nfs/dbraw/zinc/88/05/90/406880590.db2.gz AIVZMMVOWCDKRU-LLVKDONJSA-N 0 0 318.352 1.872 50 0 DDAARN CCC1=Nc2nnnn2[C@@H](c2ccccc2F)C1C(=O)OC ZINC000072332268 406882175 /nfs/dbraw/zinc/88/21/75/406882175.db2.gz HSHSBKOKYBWAQM-LBPRGKRZSA-N 0 0 303.297 1.664 50 0 DDAARN O=C1OCC[C@H]1Sc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000017146817 406883673 /nfs/dbraw/zinc/88/36/73/406883673.db2.gz IFITVOIMUOXSKD-MRVPVSSYSA-N 0 0 308.384 1.881 50 0 DDAARN Cc1ccc(-n2ccc3nc(N4CCOCC4)ncc3c2=O)cc1 ZINC000019974149 406886071 /nfs/dbraw/zinc/88/60/71/406886071.db2.gz SHGIBNJGQWMPPW-UHFFFAOYSA-N 0 0 322.368 1.926 50 0 DDAARN Cn1c(CCNC(=O)c2cccc3cnccc32)n[nH]c1=S ZINC000073078459 406888388 /nfs/dbraw/zinc/88/83/88/406888388.db2.gz VTDQAZASPHBVCU-UHFFFAOYSA-N 0 0 313.386 1.998 50 0 DDAARN O=C(NCc1cn2c(n1)SCC2)[C@@H]1CC(=O)OC12CCCC2 ZINC000020916877 406888633 /nfs/dbraw/zinc/88/86/33/406888633.db2.gz QGWCEEOFCFQLEY-NSHDSACASA-N 0 0 321.402 1.481 50 0 DDAARN C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ncccn2)C1=O ZINC000021211927 406889046 /nfs/dbraw/zinc/88/90/46/406889046.db2.gz ZARNJRXQHKMKCA-NSHDSACASA-N 0 0 312.329 1.619 50 0 DDAARN O=S(=O)(c1ccc(N2CCOCC2)nc1)N1CCCCC1 ZINC000023995832 406891876 /nfs/dbraw/zinc/89/18/76/406891876.db2.gz FJFVDPMXIIAWBH-UHFFFAOYSA-N 0 0 311.407 1.093 50 0 DDAARN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC(N)=O)cc1 ZINC000024728212 406893042 /nfs/dbraw/zinc/89/30/42/406893042.db2.gz IVGDYNWJNPRSSH-LBPRGKRZSA-N 0 0 307.350 1.495 50 0 DDAARN COC[C@H]1CN(C(=O)NCc2cc3ccccc3[nH]2)CCO1 ZINC000073914502 406897395 /nfs/dbraw/zinc/89/73/95/406897395.db2.gz QJBPQDRYMCWZFQ-CQSZACIVSA-N 0 0 303.362 1.725 50 0 DDAARN O=C(NC1CC1)[C@@H]1CCCN1c1nccc(C(F)(F)F)n1 ZINC000025570521 406899500 /nfs/dbraw/zinc/89/95/00/406899500.db2.gz YFZPMPPUVZUFMN-VIFPVBQESA-N 0 0 300.284 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324.402 1.272 50 0 DDAARN Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1cccc(F)c1 ZINC000035597102 406973406 /nfs/dbraw/zinc/97/34/06/406973406.db2.gz DTECWLXEPPKHET-UHFFFAOYSA-N 0 0 305.309 1.092 50 0 DDAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cn1 ZINC000028274628 406917200 /nfs/dbraw/zinc/91/72/00/406917200.db2.gz FJCSPCCBQJFGRV-NSHDSACASA-N 0 0 315.329 1.670 50 0 DDAARN Cc1c(C)n(C[C@@H](O)CN2C(=O)CNC2=O)c2ccccc12 ZINC000028297058 406917389 /nfs/dbraw/zinc/91/73/89/406917389.db2.gz CPEHMQZGVRVJHH-GFCCVEGCSA-N 0 0 301.346 1.171 50 0 DDAARN CC(C)CO[C@H](C)c1noc(CN(C)[C@@H]2CCN(C)C2=O)n1 ZINC000074991265 406918924 /nfs/dbraw/zinc/91/89/24/406918924.db2.gz WRHSHAXVSNSMKS-VXGBXAGGSA-N 0 0 310.398 1.466 50 0 DDAARN CCN(CC)S(=O)(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000029079694 406921006 /nfs/dbraw/zinc/92/10/06/406921006.db2.gz RGKTYRBWTKEDMU-GFCCVEGCSA-N 0 0 323.422 1.505 50 0 DDAARN CN(C)S(=O)(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000075094149 406921260 /nfs/dbraw/zinc/92/12/60/406921260.db2.gz 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DDAARN O=C(C1CCC1)N1CCC2(CC1)N(CC1CC1)C(=O)C[S@@]2=O ZINC000581793837 736198269 /nfs/dbraw/zinc/19/82/69/736198269.db2.gz DBHZKPWPDKKBIZ-QFIPXVFZSA-N 0 0 324.446 1.106 50 0 DDAARN COCc1cn([C@H]2CCN(C(=O)COc3ccccc3)C2)nn1 ZINC000675018329 737518348 /nfs/dbraw/zinc/51/83/48/737518348.db2.gz PVUZPJITQXHVRM-AWEZNQCLSA-N 0 0 316.361 1.277 50 0 DDAARN COCc1nc([C@]2(C)CCCN(C(=O)c3ccncn3)C2)no1 ZINC000675025713 737525483 /nfs/dbraw/zinc/52/54/83/737525483.db2.gz FBPUCBZJDWHBGG-OAHLLOKOSA-N 0 0 317.349 1.200 50 0 DDAARN Cc1ccc(S(=O)(=O)n2cnc(C(F)(F)F)cc2=O)cc1 ZINC000643919649 739736891 /nfs/dbraw/zinc/73/68/91/739736891.db2.gz XNZWWSPKLOWEDI-UHFFFAOYSA-N 0 0 318.276 1.808 50 0 DDAARN O=C(CN1CSCC1=O)N[C@H]1CCC[C@@H]1Oc1ccccc1 ZINC000169985204 743230839 /nfs/dbraw/zinc/23/08/39/743230839.db2.gz CQZWYFVOFWBHHZ-KBPBESRZSA-N 0 0 320.414 1.636 50 0 DDAARN CC(=O)Nc1ccc2nc(CN3CCN(C)C(=O)C3)ccc2c1 ZINC000820592970 758116889 /nfs/dbraw/zinc/11/68/89/758116889.db2.gz QQFOHXSKGGIVHF-UHFFFAOYSA-N 0 0 312.373 1.467 50 0 DDAARN Cc1cccc2[nH]c(CCNS(=O)(=O)N(C)C(C)C)nc21 ZINC000821724504 758170592 /nfs/dbraw/zinc/17/05/92/758170592.db2.gz MIKBUVPURCFFEW-UHFFFAOYSA-N 0 0 310.423 1.588 50 0 DDAARN CC[C@@H](O)Cn1nc(Cc2cccnc2)nc1CN1CCCC1 ZINC000822619884 758227099 /nfs/dbraw/zinc/22/70/99/758227099.db2.gz AIHFZOOWJVFCSI-OAHLLOKOSA-N 0 0 315.421 1.631 50 0 DDAARN Nc1nc(CCCNC(=O)CNC(=O)c2ccccc2)cs1 ZINC000827836793 759384787 /nfs/dbraw/zinc/38/47/87/759384787.db2.gz GKDDEKVTLUDIHW-UHFFFAOYSA-N 0 0 318.402 1.204 50 0 DDAARN CCn1c(=O)n(C)nc1[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000581780133 761697034 /nfs/dbraw/zinc/69/70/34/761697034.db2.gz AVQKIYVSOZKIQP-LBPRGKRZSA-N 0 0 321.425 1.433 50 0 DDAARN Cc1ncc2c(n1)CCCN(CC(=O)NCCC(C)C)C2=O ZINC000581787227 761700202 /nfs/dbraw/zinc/70/02/02/761700202.db2.gz GAADUNJCOREKHQ-UHFFFAOYSA-N 0 0 304.394 1.336 50 0 DDAARN CCn1nccc1C(=O)N1CC[C@@H](Cc2noc(C3CC3)n2)C1 ZINC000581781985 761701249 /nfs/dbraw/zinc/70/12/49/761701249.db2.gz SCGMTNXSCKCTOC-NSHDSACASA-N 0 0 315.377 1.868 50 0 DDAARN COCCC(=O)N1CC[C@@H](Cc2noc(C3CCOCC3)n2)C1 ZINC000581781905 761701737 /nfs/dbraw/zinc/70/17/37/761701737.db2.gz NVUKRNSXXIHNPZ-LBPRGKRZSA-N 0 0 323.393 1.391 50 0 DDAARN COCCC(=O)N1CCC[C@H]1c1nc(CCOCC2CC2)no1 ZINC000581797761 761705986 /nfs/dbraw/zinc/70/59/86/761705986.db2.gz XYDIPNVPHOPALF-ZDUSSCGKSA-N 0 0 323.393 1.739 50 0 DDAARN O=C(C1CC1)N1CC[C@H](c2nc(CCOCC3CC3)no2)C1 ZINC000581799466 761707161 /nfs/dbraw/zinc/70/71/61/761707161.db2.gz UVTNELUUXFCDJZ-ZDUSSCGKSA-N 0 0 305.378 1.765 50 0 DDAARN COC[C@@H]1[C@H](C(=O)NCCc2ccccc2)CCC(=O)N1C ZINC000581813283 761714693 /nfs/dbraw/zinc/71/46/93/761714693.db2.gz RJYJTEWMPPIPQB-HUUCEWRRSA-N 0 0 304.390 1.229 50 0 DDAARN CCCNC(=O)N1CC[C@@H](Cc2ncc(C)n2CCOC)C1 ZINC000581806530 761715962 /nfs/dbraw/zinc/71/59/62/761715962.db2.gz SEGIBNXXOULZKY-AWEZNQCLSA-N 0 0 308.426 1.822 50 0 DDAARN COC[C@@](C)(NC(=O)c1c(C)nn(C)c1N)c1ccccc1 ZINC000585080978 771928370 /nfs/dbraw/zinc/92/83/70/771928370.db2.gz RYZFWVIYBVZBBW-MRXNPFEDSA-N 0 0 302.378 1.602 50 0 DDAARN CCCc1cc(C(=O)N[C@H]2C[N@H+](CC(=O)[O-])C[C@@H]2C(C)C)no1 ZINC000219588301 771933926 /nfs/dbraw/zinc/93/39/26/771933926.db2.gz CDZLRHGRJSUACK-OCCSQVGLSA-N 0 0 323.393 1.398 50 0 DDAARN COCc1nocc1C(=O)N1CCC[C@H]1c1nc(N(C)C)no1 ZINC000585085550 771934318 /nfs/dbraw/zinc/93/43/18/771934318.db2.gz SFZXGYCGJXHBLZ-NSHDSACASA-N 0 0 321.337 1.247 50 0 DDAARN Cc1cccc(C)c1C(=O)N[C@H]1CCN(C[C@@H]2CNC(=O)O2)C1 ZINC000585087801 771937507 /nfs/dbraw/zinc/93/75/07/771937507.db2.gz SBUNDJMOEBEZKC-KBPBESRZSA-N 0 0 317.389 1.216 50 0 DDAARN NC(=O)c1ccc(C(=O)NC[C@@H]2CC(C(F)(F)F)=NO2)cc1 ZINC000585088262 771938235 /nfs/dbraw/zinc/93/82/35/771938235.db2.gz RMUIEYDBPPOQRZ-VIFPVBQESA-N 0 0 315.251 1.223 50 0 DDAARN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@H](CO)c1cccnc1 ZINC000585088131 771938261 /nfs/dbraw/zinc/93/82/61/771938261.db2.gz LMFNXJWWCXLSHG-CHWSQXEVSA-N 0 0 321.377 1.241 50 0 DDAARN CCn1nnc2cc(C(=O)N3CCNC[C@@H]3C(F)F)ccc21 ZINC000585088545 771938495 /nfs/dbraw/zinc/93/84/95/771938495.db2.gz LTGJQWGEIFOGGT-GFCCVEGCSA-N 0 0 309.320 1.130 50 0 DDAARN Cc1nc(N2CCC[C@H](c3nnc4n3CCC4)C2)nc2n[nH]cc21 ZINC000585092972 771941986 /nfs/dbraw/zinc/94/19/86/771941986.db2.gz WNXAGALFMBSQOW-NSHDSACASA-N 0 0 324.392 1.583 50 0 DDAARN COC(=O)[C@@H]1[C@@H](CNCc2nncn2-c2ccccc2)C1(F)F ZINC000585116715 771949945 /nfs/dbraw/zinc/94/99/45/771949945.db2.gz GPWFASCBDIHSHD-YPMHNXCESA-N 0 0 322.315 1.411 50 0 DDAARN CCCOc1ccnc(CC(=O)NCCc2ccccn2)n1 ZINC000585121561 771953012 /nfs/dbraw/zinc/95/30/12/771953012.db2.gz SDZAONASYCSAMF-UHFFFAOYSA-N 0 0 300.362 1.562 50 0 DDAARN C[C@@H](CC(=O)Nc1ccn(C)c(=O)n1)Cc1cccc(F)c1 ZINC000585126834 771958492 /nfs/dbraw/zinc/95/84/92/771958492.db2.gz JKJLHHZJWQPMJC-LLVKDONJSA-N 0 0 303.337 1.961 50 0 DDAARN COCCOCC(=O)Nc1cnccc1Nc1ccccc1 ZINC000585126621 771958604 /nfs/dbraw/zinc/95/86/04/771958604.db2.gz DGQXFXLLODCSIB-UHFFFAOYSA-N 0 0 301.346 1.849 50 0 DDAARN CO[C@H](C)CS(=O)(=O)N(C)c1nc(C(F)(F)F)co1 ZINC000585128707 771960864 /nfs/dbraw/zinc/96/08/64/771960864.db2.gz LKXZBEAYTQDKSU-ZCFIWIBFSA-N 0 0 302.274 1.494 50 0 DDAARN Cc1ccc(C(=O)NCc2nc([C@@H]3CCOC3)n[nH]2)cc1C ZINC000585131185 771964360 /nfs/dbraw/zinc/96/43/60/771964360.db2.gz NXUNCNYMWJGOQP-CYBMUJFWSA-N 0 0 300.362 1.855 50 0 DDAARN COc1ccc(NC(=O)Cc2cc(C)no2)cc1C(=O)N(C)C ZINC000952861255 775589485 /nfs/dbraw/zinc/58/94/85/775589485.db2.gz ZEUUZPKONUYANZ-UHFFFAOYSA-N 0 0 317.345 1.875 50 0 DDAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@@H]1c1cccs1 ZINC000952861245 775589717 /nfs/dbraw/zinc/58/97/17/775589717.db2.gz YQEPJAMNKKPOLN-SNVBAGLBSA-N 0 0 305.359 1.774 50 0 DDAARN Cc1nnnn1-c1cccc(NC(=O)[C@@H]2CC(C(C)C)=NO2)c1 ZINC000952868803 775598584 /nfs/dbraw/zinc/59/85/84/775598584.db2.gz AYSQCMYLWSBJJC-AWEZNQCLSA-N 0 0 314.349 1.710 50 0 DDAARN Cc1noc(C)c1CCCNC(=O)/C=C/c1cnc(N)nc1 ZINC000952870103 775601378 /nfs/dbraw/zinc/60/13/78/775601378.db2.gz UVUQNMMZUVKGEZ-AATRIKPKSA-N 0 0 301.350 1.426 50 0 DDAARN COc1ccc(NC(=O)CCn2cnnc2)cc1C(=O)N(C)C ZINC000952872009 775614195 /nfs/dbraw/zinc/61/41/95/775614195.db2.gz GVAOWZDZDFWXCA-UHFFFAOYSA-N 0 0 317.349 1.017 50 0 DDAARN CC(C)(C)OC(=O)NC1CCN(c2nnnn2CC2CC2)CC1 ZINC000952879774 775629718 /nfs/dbraw/zinc/62/97/18/775629718.db2.gz SBQHJISUXUALEU-UHFFFAOYSA-N 0 0 322.413 1.577 50 0 DDAARN CC[C@@H]1CN(c2nnnn2CC[C@@H]2CCCO2)C[C@@H](CC)O1 ZINC000952880578 775631895 /nfs/dbraw/zinc/63/18/95/775631895.db2.gz WDOXRKLDSVIUBI-MCIONIFRSA-N 0 0 309.414 1.636 50 0 DDAARN COCC1CN(C(=O)NC2CCN(c3ccccc3)CC2)C1 ZINC000952880986 775633420 /nfs/dbraw/zinc/63/34/20/775633420.db2.gz XSFGYQOIHVTJGV-UHFFFAOYSA-N 0 0 303.406 1.943 50 0 DDAARN CC1([C@H]2CCCN(c3nnnn3C[C@H]3C=CCC3)C2)OCCO1 ZINC000952880695 775634186 /nfs/dbraw/zinc/63/41/86/775634186.db2.gz WYMJHDSGJUCRGT-KBPBESRZSA-N 0 0 319.409 1.619 50 0 DDAARN C[C@H]1CN(C(=O)COc2nn(C)c3ccccc32)C[C@H](C)O1 ZINC000409417906 878179987 /nfs/dbraw/zinc/17/99/87/878179987.db2.gz PARIOIYOLXSJIS-RYUDHWBXSA-N 0 0 303.362 1.588 50 0 DDAARN Cc1cccnc1C(=O)N1CC(n2cnnc2[C@H]2CCCO2)C1 ZINC000409421047 878187065 /nfs/dbraw/zinc/18/70/65/878187065.db2.gz QYOUSDNXXIWPHL-CYBMUJFWSA-N 0 0 313.361 1.530 50 0 DDAARN O=C(Cc1ccc2c(c1)OCC2)N1CCN(c2ccccn2)CC1 ZINC000095473043 185372869 /nfs/dbraw/zinc/37/28/69/185372869.db2.gz DPURQNUYSPMKQH-UHFFFAOYSA-N 0 0 323.396 1.908 50 0 DDAARN Cc1cccn2c(=O)cc(CN3C(=O)OC(C)(C)C3=O)nc12 ZINC000095497226 185374371 /nfs/dbraw/zinc/37/43/71/185374371.db2.gz AALQKRKBZBQLFE-UHFFFAOYSA-N 0 0 301.302 1.260 50 0 DDAARN CCOC(=O)C[C@H]1COCCN1c1nc2c(s1)c(C)nn2C ZINC000095502781 185374932 /nfs/dbraw/zinc/37/49/32/185374932.db2.gz AHNDMIFKSQGNNR-JTQLQIEISA-N 0 0 324.406 1.497 50 0 DDAARN COc1cccc([C@H]2CCN2C(=O)CN2CCCCC2=O)c1 ZINC000095513064 185376596 /nfs/dbraw/zinc/37/65/96/185376596.db2.gz NKBNIULXRXQVLB-OAHLLOKOSA-N 0 0 302.374 1.981 50 0 DDAARN CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ccoc3)C2)n1 ZINC000225403779 201702323 /nfs/dbraw/zinc/70/23/23/201702323.db2.gz UJWDHHZFLACDRP-GFCCVEGCSA-N 0 0 302.334 1.429 50 0 DDAARN O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2ccccc2)C1 ZINC000076969202 185062624 /nfs/dbraw/zinc/06/26/24/185062624.db2.gz BCWYZXOWXISRMN-JSGCOSHPSA-N 0 0 308.403 1.134 50 0 DDAARN NC(=O)c1cc([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n[nH]1 ZINC000078900951 185126385 /nfs/dbraw/zinc/12/63/85/185126385.db2.gz ZYHMKWOSNWWVBE-RYUDHWBXSA-N 0 0 302.378 1.571 50 0 DDAARN Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(N)=O ZINC000078904154 185127036 /nfs/dbraw/zinc/12/70/36/185127036.db2.gz MXWDBCKFVOUYIL-WDEREUQCSA-N 0 0 300.355 1.066 50 0 DDAARN C[C@H](NC(=O)CCc1ccco1)c1cccc(S(N)(=O)=O)c1 ZINC000079003142 185144997 /nfs/dbraw/zinc/14/49/97/185144997.db2.gz PCSNFYJBPDUXOD-NSHDSACASA-N 0 0 322.386 1.737 50 0 DDAARN Cc1ccccc1C1(CNC(=O)N[C@@H]2CC(=O)N(C)C2)CC1 ZINC000079023398 185146982 /nfs/dbraw/zinc/14/69/82/185146982.db2.gz OHQXTMMDVVNIGO-CYBMUJFWSA-N 0 0 301.390 1.557 50 0 DDAARN COc1ccc(-c2cnc(Cn3cnnc3[S@@](C)=O)o2)cc1 ZINC000078995804 185142911 /nfs/dbraw/zinc/14/29/11/185142911.db2.gz XDLXKDBQDDXVLJ-QFIPXVFZSA-N 0 0 318.358 1.727 50 0 DDAARN Cc1ccc(/C=C/C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)o1 ZINC000079053708 185150426 /nfs/dbraw/zinc/15/04/26/185150426.db2.gz JLNAXJJKWXHODA-FYCOFBDGSA-N 0 0 320.389 1.601 50 0 DDAARN CN1CCN(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)C1=O ZINC000033265197 539030830 /nfs/dbraw/zinc/03/08/30/539030830.db2.gz GYBMWLYYLPJLKB-UHFFFAOYSA-N 0 0 323.343 1.937 50 0 DDAARN CC(C)n1ncnc1CN1C(=O)N[C@@](C)(c2ccsc2)C1=O ZINC000278770854 214388557 /nfs/dbraw/zinc/38/85/57/214388557.db2.gz STWIHKFWIOSTFO-AWEZNQCLSA-N 0 0 319.390 1.888 50 0 DDAARN CCc1cc(CN(C)C(=O)NCc2nc(C)cc(C)n2)on1 ZINC000426684561 529527504 /nfs/dbraw/zinc/52/75/04/529527504.db2.gz ULPLBMXCACQVLM-UHFFFAOYSA-N 0 0 303.366 1.985 50 0 DDAARN CC[C@H](NC(=O)Nc1cccc2nn(C)nc21)c1ccnn1C ZINC000426420017 529531315 /nfs/dbraw/zinc/53/13/15/529531315.db2.gz SMPNDUIIGGHOBX-JTQLQIEISA-N 0 0 313.365 1.975 50 0 DDAARN CCCS(=O)(=O)N(C)CC(=O)NCc1sccc1C ZINC000089960365 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COCc1nc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)no1 ZINC000581795980 761712589 /nfs/dbraw/zinc/71/25/89/761712589.db2.gz XFWDVNAPFJZRBH-LLVKDONJSA-N 0 0 323.374 1.394 50 0 DDAARN COCCC(=O)N1CCC[C@@H](Cc2nncn2CC2CC2)C1 ZINC000581818711 761720901 /nfs/dbraw/zinc/72/09/01/761720901.db2.gz WKBZOHRTOXAXEM-AWEZNQCLSA-N 0 0 306.410 1.506 50 0 DDAARN COc1ccccc1C(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC000581814522 761723254 /nfs/dbraw/zinc/72/32/54/761723254.db2.gz MDXWUKUEZSBABH-CYBMUJFWSA-N 0 0 305.374 1.841 50 0 DDAARN COc1ccc([C@@H](C)[C@H](C)NC(=O)CCS(C)(=O)=O)cc1 ZINC000584907255 771883650 /nfs/dbraw/zinc/88/36/50/771883650.db2.gz TUBQSILFQMBDQQ-RYUDHWBXSA-N 0 0 313.419 1.738 50 0 DDAARN CCCC(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000584908882 771885340 /nfs/dbraw/zinc/88/53/40/771885340.db2.gz REKNSJBUJHXJQH-OAHLLOKOSA-N 0 0 300.362 1.442 50 0 DDAARN Cc1noc([C@H]2CN(C[C@H]3CC3(Cl)Cl)CCN2C)n1 ZINC000585081509 771928213 /nfs/dbraw/zinc/92/82/13/771928213.db2.gz NSKVGRUHYDYLMM-NXEZZACHSA-N 0 0 305.209 1.860 50 0 DDAARN COc1ccc(CCNc2ccc3nc(C)nn3n2)c(F)c1 ZINC000585082542 771928794 /nfs/dbraw/zinc/92/87/94/771928794.db2.gz GPSLKOPTKPQYLP-UHFFFAOYSA-N 0 0 301.325 2.235 50 0 DDAARN C[C@@H]1CN(C(=O)c2ccnc(N)c2)CC[C@@]1(O)C1CCOCC1 ZINC000219602082 771933846 /nfs/dbraw/zinc/93/38/46/771933846.db2.gz GKHWDCZHNZENCE-PXAZEXFGSA-N 0 0 319.405 1.304 50 0 DDAARN OCc1nc([C@@H]2CCOC2)nn1Cc1ccc2c(c1)OCO2 ZINC000219626690 771935021 /nfs/dbraw/zinc/93/50/21/771935021.db2.gz AGBGNTIAAXMMDP-LLVKDONJSA-N 0 0 303.318 1.051 50 0 DDAARN O=C1NCCN(Cc2cnn(CC(F)F)c2)c2ccccc21 ZINC000585085802 771935107 /nfs/dbraw/zinc/93/51/07/771935107.db2.gz PIJYNUYWWFQXNR-UHFFFAOYSA-N 0 0 306.316 1.898 50 0 DDAARN CC(C)(C)c1ccc(C(=O)NCC(=O)Nn2ccnn2)cc1 ZINC000585087850 771937757 /nfs/dbraw/zinc/93/77/57/771937757.db2.gz XBXPDUDULVHGGS-UHFFFAOYSA-N 0 0 301.350 1.076 50 0 DDAARN CCc1ccc2occ(C(=O)N3CC4(C3)CS(=O)(=O)C4)c2c1 ZINC000585088197 771938074 /nfs/dbraw/zinc/93/80/74/771938074.db2.gz OMRPMECZJLIUFS-UHFFFAOYSA-N 0 0 319.382 1.866 50 0 DDAARN O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)NCCc1ccco1 ZINC000585122180 771953148 /nfs/dbraw/zinc/95/31/48/771953148.db2.gz POTJOGAGPJYXOH-KBPBESRZSA-N 0 0 309.362 1.639 50 0 DDAARN C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)COC[C@@H]1CCCO1 ZINC000585122552 771953651 /nfs/dbraw/zinc/95/36/51/771953651.db2.gz YERZWOBJKJZARV-OCCSQVGLSA-N 0 0 318.373 1.551 50 0 DDAARN CC1(C)C(CNC(=O)c2coc(CS(C)(=O)=O)n2)C1(C)C ZINC000585120751 771954309 /nfs/dbraw/zinc/95/43/09/771954309.db2.gz JGPBOAHEIJKEDI-UHFFFAOYSA-N 0 0 314.407 1.631 50 0 DDAARN CC(C)(C)OC(=O)[C@]1(C(=O)NCCc2ccco2)CCCO1 ZINC000585120759 771954326 /nfs/dbraw/zinc/95/43/26/771954326.db2.gz JLMDDRZNCJLDSV-MRXNPFEDSA-N 0 0 309.362 1.829 50 0 DDAARN O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1nncs1 ZINC000585132910 771965012 /nfs/dbraw/zinc/96/50/12/771965012.db2.gz GLAWCLAUGCOKBT-CYBMUJFWSA-N 0 0 320.399 1.883 50 0 DDAARN COC[C@@H](c1ccccn1)N(C)C(=O)c1cc(C)nc(C)n1 ZINC000952861263 775589362 /nfs/dbraw/zinc/58/93/62/775589362.db2.gz 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/nfs/dbraw/zinc/82/53/44/778825344.db2.gz ZPAHEMWLNLACTF-UHFFFAOYSA-N 0 0 312.123 1.029 50 0 DDAARN CN(CCc1ccccn1)C(=O)[C@@H]1CCCCC2N=NC(=O)N21 ZINC000675012637 839076685 /nfs/dbraw/zinc/07/66/85/839076685.db2.gz PTGQUDNOBDAWJO-ZDUSSCGKSA-N 0 0 315.377 1.347 50 0 DDAARN Cc1cccnc1C(=O)N1CC(n2cnnc2[C@@H]2CCCO2)C1 ZINC000409421048 878187223 /nfs/dbraw/zinc/18/72/23/878187223.db2.gz QYOUSDNXXIWPHL-ZDUSSCGKSA-N 0 0 313.361 1.530 50 0 DDAARN O=C(NC1CCCC1)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095475925 185373147 /nfs/dbraw/zinc/37/31/47/185373147.db2.gz RFFUJZLIFIFHAJ-NSHDSACASA-N 0 0 312.373 1.975 50 0 DDAARN COCc1noc(CNC(=O)[C@H]2COc3ccccc3C2)n1 ZINC000095512016 185376498 /nfs/dbraw/zinc/37/64/98/185376498.db2.gz RDPJYOOZEZQXNZ-LLVKDONJSA-N 0 0 303.318 1.084 50 0 DDAARN Cc1nc(CCNC(=O)[C@H](C)n2ccnc2C(C)C)cc(=O)[nH]1 ZINC000095529359 185378770 /nfs/dbraw/zinc/37/87/70/185378770.db2.gz VFGQOYBGZWSSFS-NSHDSACASA-N 0 0 317.393 1.318 50 0 DDAARN O=C(NC[C@H](O)COCC1CC1)[C@H]1C[C@H]1c1ccc(F)cc1 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C[C@H](Cn1cncn1)NS(=O)(=O)C[C@H](C)c1ccccc1 ZINC000079095669 185157622 /nfs/dbraw/zinc/15/76/22/185157622.db2.gz KTVRJFKXUDFYHC-QWHCGFSZSA-N 0 0 308.407 1.390 50 0 DDAARN C[C@H]1CCc2nc3ncn(CC(=O)NC4CC4)c(=O)c3cc2C1 ZINC000033059626 539030881 /nfs/dbraw/zinc/03/08/81/539030881.db2.gz XJVNENIDVRZPQL-JTQLQIEISA-N 0 0 312.373 1.195 50 0 DDAARN COc1cccc(NC(=O)NCc2cnc(N(C)C)n2C)c1 ZINC000079358797 185166885 /nfs/dbraw/zinc/16/68/85/185166885.db2.gz UFBHGYLMPLFKNT-UHFFFAOYSA-N 0 0 303.366 1.816 50 0 DDAARN COc1ccc2cc(/C=C\C(=O)N3CCNC(=O)C3)ccc2c1 ZINC000096904557 185390793 /nfs/dbraw/zinc/39/07/93/185390793.db2.gz OEYCXKPXVQCUHL-CLTKARDFSA-N 0 0 310.353 1.820 50 0 DDAARN COC[C@@H]1CCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)C1 ZINC000087386015 185223334 /nfs/dbraw/zinc/22/33/34/185223334.db2.gz KQAZNKAFKKUBRA-CABCVRRESA-N 0 0 310.438 1.909 50 0 DDAARN Cc1ccc(S[C@H](C)C(=O)NCCc2ncnn2C)cc1 ZINC000087451334 185225420 /nfs/dbraw/zinc/22/54/20/185225420.db2.gz JBURISNZBPUSGN-GFCCVEGCSA-N 0 0 304.419 1.963 50 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303.406 1.673 50 0 DDAARN Cc1cccc(N2C[C@@H](C)N(C(=O)c3cc(N)n[nH]3)CC2=O)c1 ZINC000082098183 192355059 /nfs/dbraw/zinc/35/50/59/192355059.db2.gz PYFHNIHONKYRDJ-LLVKDONJSA-N 0 0 313.361 1.178 50 0 DDAARN COc1ccccc1-n1nnnc1SCC(=O)NC(C)(C)C ZINC000000360013 190613592 /nfs/dbraw/zinc/61/35/92/190613592.db2.gz JKXRZNKYKGNFCE-UHFFFAOYSA-N 0 0 321.406 1.678 50 0 DDAARN Cc1nn(-c2ccccc2)nc1C(=O)N[C@H]1CCc2nccn2C1 ZINC000097197661 282247865 /nfs/dbraw/zinc/24/78/65/282247865.db2.gz LUGWZKCQQMXMIC-ZDUSSCGKSA-N 0 0 322.372 1.517 50 0 DDAARN COCCc1noc(CN(C)C(=O)c2cc(C(C)C)on2)n1 ZINC000082135051 192360572 /nfs/dbraw/zinc/36/05/72/192360572.db2.gz XFJMQATZESRXEC-UHFFFAOYSA-N 0 0 308.338 1.642 50 0 DDAARN Cc1ccccc1[C@H]1CCCN(C(=O)CCNS(C)(=O)=O)C1 ZINC000082127579 192359211 /nfs/dbraw/zinc/35/92/11/192359211.db2.gz MFKIGOXVFOHTAQ-AWEZNQCLSA-N 0 0 324.446 1.640 50 0 DDAARN C[C@H](O)C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 ZINC000082138379 192360744 /nfs/dbraw/zinc/36/07/44/192360744.db2.gz 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/nfs/dbraw/zinc/21/08/75/407210875.db2.gz HILQHIYIPWODEB-MRXNPFEDSA-N 0 0 322.405 1.393 50 0 DDAARN CCCc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)o1 ZINC000095375175 407210939 /nfs/dbraw/zinc/21/09/39/407210939.db2.gz ZLUKGUDMOCOEMG-UHFFFAOYSA-N 0 0 308.382 1.097 50 0 DDAARN COC(=O)c1ccc(C)c(NC(=O)NC[C@@H]2COCCO2)c1 ZINC000056550080 407210990 /nfs/dbraw/zinc/21/09/90/407210990.db2.gz CVADAEIWVCNDDT-GFCCVEGCSA-N 0 0 308.334 1.319 50 0 DDAARN CO[C@H](CNC(=O)NCC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000096413299 407261784 /nfs/dbraw/zinc/26/17/84/407261784.db2.gz APQFHXZZCAQWSP-VXGBXAGGSA-N 0 0 320.311 1.987 50 0 DDAARN COCCn1cc(C(=O)NCc2nncn2C)c2ccccc21 ZINC000057431896 407215348 /nfs/dbraw/zinc/21/53/48/407215348.db2.gz NDPPPFAOXSXRAI-UHFFFAOYSA-N 0 0 313.361 1.346 50 0 DDAARN CC[C@@H](C)[C@@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(N)=O ZINC000095942371 407215947 /nfs/dbraw/zinc/21/59/47/407215947.db2.gz WTAFGNQJHVKBNE-NOZJJQNGSA-N 0 0 309.366 1.725 50 0 DDAARN CC(C)c1nnc2n1C[C@H](NC(=O)C1(O)CCCCC1)CC2 ZINC000095964714 407217757 /nfs/dbraw/zinc/21/77/57/407217757.db2.gz RCMQQGRNWBLKSU-GFCCVEGCSA-N 0 0 306.410 1.528 50 0 DDAARN NC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000095962503 407218127 /nfs/dbraw/zinc/21/81/27/407218127.db2.gz RYKGGABMWJMBGU-RKDXNWHRSA-N 0 0 301.268 1.484 50 0 DDAARN O=C(NC1CC1)c1ccc(CNc2ncnc3nc[nH]c32)cc1 ZINC000058158860 407218969 /nfs/dbraw/zinc/21/89/69/407218969.db2.gz RCPAGZIPUAFZOQ-UHFFFAOYSA-N 0 0 308.345 1.857 50 0 DDAARN CCNC(=O)NC(=O)CNc1ccc(C(=O)NC(C)C)cc1C ZINC000058157393 407219012 /nfs/dbraw/zinc/21/90/12/407219012.db2.gz IOTBXRVOTZDAIR-UHFFFAOYSA-N 0 0 320.393 1.391 50 0 DDAARN Cc1nn(C)c2nc(C)cc(C(=O)N3CCOCC3(C)C)c12 ZINC000058263965 407220275 /nfs/dbraw/zinc/22/02/75/407220275.db2.gz RQOCNJIYNHBYQT-UHFFFAOYSA-N 0 0 302.378 1.836 50 0 DDAARN COCC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000095986340 407220915 /nfs/dbraw/zinc/22/09/15/407220915.db2.gz MYPIQNYMPXPMGQ-LLVKDONJSA-N 0 0 315.167 1.080 50 0 DDAARN O=C(Cc1cc2c(ccc3ccccc23)o1)N(CCO)CCO 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COc1cc(N(C)Cc2cc(-c3cccnc3)no2)nc(N)n1 ZINC000096137258 407239537 /nfs/dbraw/zinc/23/95/37/407239537.db2.gz HKFMQLYNZVSVSH-UHFFFAOYSA-N 0 0 312.333 1.754 50 0 DDAARN Cn1nc(CCC(=O)Nc2cccc(-c3cc[nH]n3)c2)ccc1=O ZINC000096123973 407239980 /nfs/dbraw/zinc/23/99/80/407239980.db2.gz SMHVVNRUOZJXRV-UHFFFAOYSA-N 0 0 323.356 1.742 50 0 DDAARN Nc1cc(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)no1 ZINC000065167933 407240400 /nfs/dbraw/zinc/24/04/00/407240400.db2.gz DFRRYXHIHLDEPV-UHFFFAOYSA-N 0 0 321.402 1.966 50 0 DDAARN COc1ccc(C(=O)N2CCC(c3cc(N)on3)CC2)cn1 ZINC000065167644 407240571 /nfs/dbraw/zinc/24/05/71/407240571.db2.gz QLFKWRRHVHDVSN-UHFFFAOYSA-N 0 0 302.334 1.680 50 0 DDAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCCn2cccn2)on1 ZINC000096153057 407241319 /nfs/dbraw/zinc/24/13/19/407241319.db2.gz QSODFSZSSOIVAV-HIFRSBDPSA-N 0 0 318.377 1.334 50 0 DDAARN CN(C)c1nc(C(=O)NCc2cccs2)nc2c1cnn2C ZINC000065257165 407241433 /nfs/dbraw/zinc/24/14/33/407241433.db2.gz CWIZOSFJWXZBHM-UHFFFAOYSA-N 0 0 316.390 1.421 50 0 DDAARN CCn1cc(CN2CCN(C(=O)c3ccoc3)CC2)ccc1=O ZINC000065285872 407242366 /nfs/dbraw/zinc/24/23/66/407242366.db2.gz OBXISUBDIIXSRH-UHFFFAOYSA-N 0 0 315.373 1.419 50 0 DDAARN CCCCN(C)Cc1nc2nc(C)cc(N3CCOCC3)n2n1 ZINC000065311586 407242397 /nfs/dbraw/zinc/24/23/97/407242397.db2.gz SBNWXFZDJNTPMM-UHFFFAOYSA-N 0 0 318.425 1.501 50 0 DDAARN Cc1nc(C(=O)N2CCOCC2)cc(N2CCC(C)CC2)n1 ZINC000096182757 407243375 /nfs/dbraw/zinc/24/33/75/407243375.db2.gz OOKPAKKRMRCMGV-UHFFFAOYSA-N 0 0 304.394 1.494 50 0 DDAARN CCN1CCN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)CC1 ZINC000096192677 407246717 /nfs/dbraw/zinc/24/67/17/407246717.db2.gz CEGLDWRRRRGTTN-KRWDZBQOSA-N 0 0 319.380 1.873 50 0 DDAARN Cc1cccc2c1[C@H](NC(=O)c1cnn3c1CCCC3)C(=O)N2 ZINC000102456646 407323055 /nfs/dbraw/zinc/32/30/55/407323055.db2.gz NNAJUWHAAPUMNY-HNNXBMFYSA-N 0 0 310.357 1.951 50 0 DDAARN CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000096427214 407265028 /nfs/dbraw/zinc/26/50/28/407265028.db2.gz NNAZUIPMAFQXIY-WBMJQRKESA-N 0 0 324.446 1.708 50 0 DDAARN CC(=O)NCCCNS(=O)(=O)c1ccccc1C(C)(C)C ZINC000096427677 407265170 /nfs/dbraw/zinc/26/51/70/407265170.db2.gz NURDRIQRURVHRM-UHFFFAOYSA-N 0 0 312.435 1.789 50 0 DDAARN C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1cccc(-n2ccnc2)c1 ZINC000096432132 407265707 /nfs/dbraw/zinc/26/57/07/407265707.db2.gz IGQNOMMHTIQXJI-JSGCOSHPSA-N 0 0 312.373 1.528 50 0 DDAARN C[C@@H](C(=O)NCC(F)(F)F)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000096452810 407268676 /nfs/dbraw/zinc/26/86/76/407268676.db2.gz XZQGTLZDPSNGFS-CMPLNLGQSA-N 0 0 324.343 1.323 50 0 DDAARN COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccon1 ZINC000096484637 407271439 /nfs/dbraw/zinc/27/14/39/407271439.db2.gz NCKYERZCAWPPCK-ZDUSSCGKSA-N 0 0 306.293 1.257 50 0 DDAARN CC(C)[C@@H](Nc1nc(C2CC2)ns1)C(=O)N1CCOCC1 ZINC000096486684 407271597 /nfs/dbraw/zinc/27/15/97/407271597.db2.gz UICKTVCNJDZSRY-LLVKDONJSA-N 0 0 310.423 1.711 50 0 DDAARN Cc1cccc(C(=O)NCC(=O)N2CCC[C@H]2C[C@@H](C)O)c1 ZINC000096487118 407272248 /nfs/dbraw/zinc/27/22/48/407272248.db2.gz 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/nfs/dbraw/zinc/49/48/13/485494813.db2.gz RMMFNLGPRQNVRI-UHFFFAOYSA-N 0 0 316.405 1.139 50 0 DDAARN Cn1ncnc1CNc1ccccc1C(=O)N1CCC[C@H](O)C1 ZINC000674756042 485718529 /nfs/dbraw/zinc/71/85/29/485718529.db2.gz XWQBAJXEVCACTC-LBPRGKRZSA-N 0 0 315.377 1.024 50 0 DDAARN Cn1ccnc(N2CCC(CCCn3ccnc3)CC2)c1=O ZINC000679934050 486044005 /nfs/dbraw/zinc/04/40/05/486044005.db2.gz JVSYTSSKPFEZLB-UHFFFAOYSA-N 0 0 301.394 1.674 50 0 DDAARN Cc1noc(C)c1S(=O)(=O)NCC[C@@H](O)c1cccn1C ZINC000217940996 490697535 /nfs/dbraw/zinc/69/75/35/490697535.db2.gz YKVIMOSZQAVZEN-GFCCVEGCSA-N 0 0 313.379 1.032 50 0 DDAARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@@H]1COc2ccccc21 ZINC000220730402 490698473 /nfs/dbraw/zinc/69/84/73/490698473.db2.gz VLUQXUDZSQAYGN-CQSZACIVSA-N 0 0 313.357 1.982 50 0 DDAARN Cc1cc(C)n2nc(Sc3ncnc4c3cnn4C)nc2n1 ZINC000390833006 490779402 /nfs/dbraw/zinc/77/94/02/490779402.db2.gz ANKWBQOQEBCCSY-UHFFFAOYSA-N 0 0 312.362 1.569 50 0 DDAARN C[C@@H]1OCC[C@@H]1C(=O)NCCc1cnc2c(Cl)cnn2c1 ZINC000331661328 534169500 /nfs/dbraw/zinc/16/95/00/534169500.db2.gz QGEPJTJWTVXLMA-ONGXEEELSA-N 0 0 308.769 1.466 50 0 DDAARN O=C(/C=C/c1ccco1)NCCn1ccc(-c2cnccn2)n1 ZINC000253472339 518198020 /nfs/dbraw/zinc/19/80/20/518198020.db2.gz LKXVOMDYTVXWAB-ONEGZZNKSA-N 0 0 309.329 1.763 50 0 DDAARN Cc1nonc1CNC(=O)C1CCN(C(=O)CC(C)C)CC1 ZINC000299790250 534496459 /nfs/dbraw/zinc/49/64/59/534496459.db2.gz AXYROIBLIJACRN-UHFFFAOYSA-N 0 0 308.382 1.279 50 0 DDAARN COc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)nn1 ZINC000154985964 523648522 /nfs/dbraw/zinc/64/85/22/523648522.db2.gz NEWHTRMHWAGBSF-UHFFFAOYSA-N 0 0 318.402 1.505 50 0 DDAARN O=C(c1ccccc1-n1cnnc1)N1Cc2ccccc2[C@@H](O)C1 ZINC000426534094 534748269 /nfs/dbraw/zinc/74/82/69/534748269.db2.gz RZOUISBUAWVPRH-KRWDZBQOSA-N 0 0 320.352 1.957 50 0 DDAARN C=CC(=O)N1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000328598728 526916250 /nfs/dbraw/zinc/91/62/50/526916250.db2.gz OAZZGUWMQHMYQH-UHFFFAOYSA-N 0 0 313.151 1.513 50 0 DDAARN C=CC(=O)N1CCC[C@H](n2ncc(N(C)C(C)C)cc2=O)C1 ZINC000328600387 526916370 /nfs/dbraw/zinc/91/63/70/526916370.db2.gz XRNQBISQKGXGAD-ZDUSSCGKSA-N 0 0 304.394 1.437 50 0 DDAARN CC1(C)NC(=O)N(CC[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1=O ZINC000299741218 527789163 /nfs/dbraw/zinc/78/91/63/527789163.db2.gz DUZYWJHLKZVKEV-UTUOFQBUSA-N 0 0 323.393 1.035 50 0 DDAARN CCC[C@]1(C)C(=O)NCCN1C(=O)c1cnc(C(C)(C)C)nc1 ZINC000585083196 545665877 /nfs/dbraw/zinc/66/58/77/545665877.db2.gz DXCYPBMAUUIWNP-QGZVFWFLSA-N 0 0 318.421 1.905 50 0 DDAARN CN1C(=O)CC[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000226157081 563939719 /nfs/dbraw/zinc/93/97/19/563939719.db2.gz QFVIQCORGBJGDS-VYDXJSESSA-N 0 0 316.401 1.891 50 0 DDAARN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2)nn1C ZINC000011937426 696048237 /nfs/dbraw/zinc/04/82/37/696048237.db2.gz ILNKSGJKQYMJLT-OAHLLOKOSA-N 0 0 313.405 1.518 50 0 DDAARN O=C(c1cn(C[C@@H]2COc3ccccc3O2)nn1)N1CCCC1 ZINC000012716244 696051609 /nfs/dbraw/zinc/05/16/09/696051609.db2.gz FQDRQSOIWMDQPB-GFCCVEGCSA-N 0 0 314.345 1.354 50 0 DDAARN C1CCN(c2nc3nonc3nc2NC2CCOCC2)CC1 ZINC000014975754 696056257 /nfs/dbraw/zinc/05/62/57/696056257.db2.gz HXRWADCWEFGMCQ-UHFFFAOYSA-N 0 0 304.354 1.594 50 0 DDAARN COC(=O)[C@@H]1C[C@H](C(=O)N(C)C)[C@H](c2ccccc2F)N1C ZINC000055195988 696282718 /nfs/dbraw/zinc/28/27/18/696282718.db2.gz QVGHUZBOCPHHCK-UBHSHLNASA-N 0 0 308.353 1.448 50 0 DDAARN CN(Cc1cccc2ncccc12)c1cc(NCCO)nc(N)n1 ZINC000065425733 696344977 /nfs/dbraw/zinc/34/49/77/696344977.db2.gz UDZPEBIQRKHHNQ-UHFFFAOYSA-N 0 0 324.388 1.648 50 0 DDAARN CC(=O)N1CCC(CCC(=O)NCc2ccnc(C)n2)CC1 ZINC000079661828 696462436 /nfs/dbraw/zinc/46/24/36/696462436.db2.gz HICPTWZHCKYIAW-UHFFFAOYSA-N 0 0 304.394 1.440 50 0 DDAARN Cc1nc2c(ncnc2N2CCc3nnc(C(C)C)n3CC2)o1 ZINC000091965044 696592132 /nfs/dbraw/zinc/59/21/32/696592132.db2.gz IBFPGGZXOBDSIG-UHFFFAOYSA-N 0 0 313.365 1.704 50 0 DDAARN C/C=C\Cn1c(S[C@H](C)C(C)=O)nc2c1c(=O)[nH]c(=O)n2C ZINC000102407120 696610710 /nfs/dbraw/zinc/61/07/10/696610710.db2.gz HSVLVBJYUMCCTL-SSJHQANKSA-N 0 0 322.390 1.069 50 0 DDAARN C[C@@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)c1ccccn1 ZINC000159149991 697307881 /nfs/dbraw/zinc/30/78/81/697307881.db2.gz DPBJUAFTQWNJQC-SNVBAGLBSA-N 0 0 323.374 1.416 50 0 DDAARN CCNC(=O)c1cccnc1O[C@H]1CCN(C(=O)C2CCC2)C1 ZINC000169756138 697344269 /nfs/dbraw/zinc/34/42/69/697344269.db2.gz DULBDAJCMGVJTM-ZDUSSCGKSA-N 0 0 317.389 1.611 50 0 DDAARN COc1cc(NC(=O)[C@H]2Cn3cccc3C(=O)N2)cc(OC)c1 ZINC000169774811 697345159 /nfs/dbraw/zinc/34/51/59/697345159.db2.gz CHSCNDUPLPNNHW-CYBMUJFWSA-N 0 0 315.329 1.256 50 0 DDAARN CN1C(=O)c2cccn2C[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000169780872 697345346 /nfs/dbraw/zinc/34/53/46/697345346.db2.gz HORYPTXRXHJARD-AWEZNQCLSA-N 0 0 301.321 1.398 50 0 DDAARN Cc1nnc2n1CC[C@H](N(C)C(=O)c1cc(C3CC3)n[nH]1)CC2 ZINC000169790487 697346243 /nfs/dbraw/zinc/34/62/43/697346243.db2.gz IAAUAOYCILNGGT-GFCCVEGCSA-N 0 0 314.393 1.664 50 0 DDAARN COC[C@H](NC(=O)CN1CCCCCCC1=O)c1ccco1 ZINC000173808556 697381353 /nfs/dbraw/zinc/38/13/53/697381353.db2.gz OHXAUEJHHZSBGO-ZDUSSCGKSA-N 0 0 308.378 1.876 50 0 DDAARN CC(C)N1CC[C@H](N2CCN(c3ccccc3O)CC2)C1=O ZINC000175074238 697394477 /nfs/dbraw/zinc/39/44/77/697394477.db2.gz FQOYQTKXWABBIE-HNNXBMFYSA-N 0 0 303.406 1.524 50 0 DDAARN CNS(=O)(=O)c1cc(C(=O)N([C@@H](C)C2CC2)C2CC2)co1 ZINC000179287523 697436252 /nfs/dbraw/zinc/43/62/52/697436252.db2.gz PIRRYKCMDQUAIZ-VIFPVBQESA-N 0 0 312.391 1.591 50 0 DDAARN Cn1ncnc1CNC(=O)Nc1cccc(C(F)(F)F)n1 ZINC000181869508 697466186 /nfs/dbraw/zinc/46/61/86/697466186.db2.gz ARRQMTNTNWTNFW-UHFFFAOYSA-N 0 0 300.244 1.551 50 0 DDAARN Cc1csc(-c2cccc(C(=O)N[C@]3(CO)CCOC3)c2)n1 ZINC000182870165 697480931 /nfs/dbraw/zinc/48/09/31/697480931.db2.gz HQXBEIDVOCPPGB-INIZCTEOSA-N 0 0 318.398 2.000 50 0 DDAARN Nc1ncncc1C(=O)N1CCN(c2ccncc2Cl)CC1 ZINC000185462337 697518487 /nfs/dbraw/zinc/51/84/87/697518487.db2.gz BSECJHYTQZQPMH-UHFFFAOYSA-N 0 0 318.768 1.070 50 0 DDAARN Cn1ncc2c1CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C2 ZINC000818027197 702558118 /nfs/dbraw/zinc/55/81/18/702558118.db2.gz UORZCTUDQFXAAH-LLVKDONJSA-N 0 0 306.366 1.272 50 0 DDAARN COC(CNC(=O)c1c[nH]c(C)cc1=O)(OC)c1ccccc1 ZINC000863947938 706043801 /nfs/dbraw/zinc/04/38/01/706043801.db2.gz UDVNRYNYEPKDSI-UHFFFAOYSA-N 0 0 316.357 1.559 50 0 DDAARN Cc1nc(CCNC(=O)N[C@@H]2CCN(C3CCC3)C2=O)c(C)o1 ZINC000888100027 709213586 /nfs/dbraw/zinc/21/35/86/709213586.db2.gz XNMIFKJGSZWRAN-CQSZACIVSA-N 0 0 320.393 1.287 50 0 DDAARN COc1cc(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)ccn1 ZINC000952965640 721528550 /nfs/dbraw/zinc/52/85/50/721528550.db2.gz BACGPTLWZONUAQ-UHFFFAOYSA-N 0 0 312.289 1.648 50 0 DDAARN Cn1cnnc1Sc1ccc(CNCc2csc(N)n2)o1 ZINC000952974963 721530489 /nfs/dbraw/zinc/53/04/89/721530489.db2.gz XLHKKIZYVJDPHT-UHFFFAOYSA-N 0 0 322.419 1.888 50 0 DDAARN O=C(CN1CCOc2ccccc2C1)N1CC(c2ccncc2)C1 ZINC000952978589 721530731 /nfs/dbraw/zinc/53/07/31/721530731.db2.gz YUGFUJOZEKJMEV-UHFFFAOYSA-N 0 0 323.396 1.902 50 0 DDAARN Cc1cccnc1[C@@H](C)NC(=O)CCC(=O)Nc1nncs1 ZINC000952977719 721530852 /nfs/dbraw/zinc/53/08/52/721530852.db2.gz KUMSCZGNHINVCG-SNVBAGLBSA-N 0 0 319.390 1.838 50 0 DDAARN C[C@@H]1Oc2ccc(NC(=O)C3CCOCC3)cc2N(C)C1=O ZINC000952979348 721531140 /nfs/dbraw/zinc/53/11/40/721531140.db2.gz NUORSMFFASIKNQ-JTQLQIEISA-N 0 0 304.346 1.795 50 0 DDAARN C[C@H]1Oc2ccc(NC(=O)c3coc(CN)n3)cc2N(C)C1=O ZINC000952980642 721531237 /nfs/dbraw/zinc/53/12/37/721531237.db2.gz DYZPZGLXJRQIJP-MRVPVSSYSA-N 0 0 316.317 1.129 50 0 DDAARN O=C(CCN1CCCCCC1=O)NC[C@@H](CO)Cc1ccco1 ZINC000952981631 721531626 /nfs/dbraw/zinc/53/16/26/721531626.db2.gz TXEUIBIHOHJOOK-AWEZNQCLSA-N 0 0 322.405 1.340 50 0 DDAARN Cn1nccc1C1(O)CCN(Cc2ccncc2Cl)CC1 ZINC000952992815 721533809 /nfs/dbraw/zinc/53/38/09/721533809.db2.gz RYUPWUXMGMPQTR-UHFFFAOYSA-N 0 0 306.797 1.952 50 0 DDAARN CCC(=O)N1CCC2(CC1)N(c1ccccc1)C(=O)C[S@]2=O ZINC000581793989 737336657 /nfs/dbraw/zinc/33/66/57/737336657.db2.gz KQPFLWFFGWTTEL-JOCHJYFZSA-N 0 0 320.414 1.511 50 0 DDAARN CCC(=O)N1CCc2c(C(N)=O)nc(-c3ccccc3)n2CC1 ZINC000675023308 737522550 /nfs/dbraw/zinc/52/25/50/737522550.db2.gz VTOYXHVTGGKYSA-UHFFFAOYSA-N 0 0 312.373 1.444 50 0 DDAARN CCN(C(=O)c1ccn(C)n1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000585128249 739393048 /nfs/dbraw/zinc/39/30/48/739393048.db2.gz XABDWAPOCXOIIE-JTQLQIEISA-N 0 0 304.316 1.519 50 0 DDAARN O=C(CN1CCOCC1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000220133792 749436227 /nfs/dbraw/zinc/43/62/27/749436227.db2.gz YODDEYSEEWGLLA-UHFFFAOYSA-N 0 0 321.396 1.197 50 0 DDAARN Cc1cnc(C)c(NC[C@H](c2cccnc2)N2CCOCC2)n1 ZINC000825243006 759232759 /nfs/dbraw/zinc/23/27/59/759232759.db2.gz FWZJXVIDLVUEPW-MRXNPFEDSA-N 0 0 313.405 1.974 50 0 DDAARN O=C1OC[C@@H]2CN(Cc3cnn(-c4cccc(F)c4)c3)CCN12 ZINC000826621201 759294003 /nfs/dbraw/zinc/29/40/03/759294003.db2.gz FTOZGMPYEMTVMM-HNNXBMFYSA-N 0 0 316.336 1.648 50 0 DDAARN CN(CC(=O)NCC[C@H](c1ccco1)c1ccccc1)C(N)=O ZINC000827825179 759383604 /nfs/dbraw/zinc/38/36/04/759383604.db2.gz SJDIJYQYENUFFM-AWEZNQCLSA-N 0 0 315.373 1.928 50 0 DDAARN O=C([C@@H]1CCCCC(=O)N1Cc1ccccc1)N1CCOCC1 ZINC000581785791 761702369 /nfs/dbraw/zinc/70/23/69/761702369.db2.gz RKFDWISQARXUOE-INIZCTEOSA-N 0 0 316.401 1.817 50 0 DDAARN Cn1nccc1C(=O)N1CCC(Cc2nc(C3CC3)n[nH]2)CC1 ZINC000581790787 761709584 /nfs/dbraw/zinc/70/95/84/761709584.db2.gz ISLXJGSYTTUSCQ-UHFFFAOYSA-N 0 0 314.393 1.511 50 0 DDAARN Cc1ccc(NC(=O)[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)cc1 ZINC000581792588 761710722 /nfs/dbraw/zinc/71/07/22/761710722.db2.gz LLYFVXILEJWMGN-CYBMUJFWSA-N 0 0 312.373 1.554 50 0 DDAARN CCn1nccc1C(=O)N1CC[C@@H](c2noc(COC)n2)C1 ZINC000581795264 761713048 /nfs/dbraw/zinc/71/30/48/761713048.db2.gz IRXRHIYSAJXUQM-SNVBAGLBSA-N 0 0 305.338 1.062 50 0 DDAARN COCc1nc([C@@H]2CCN(C(=O)c3ccc(C)nc3)C2)no1 ZINC000581795853 761713107 /nfs/dbraw/zinc/71/31/07/761713107.db2.gz VQGVMZNQYOILGS-GFCCVEGCSA-N 0 0 302.334 1.549 50 0 DDAARN CCN1C(=O)[C@@H]2CC3(CN2C1=O)CCN(C(=O)NC(C)C)CC3 ZINC000581803674 761715301 /nfs/dbraw/zinc/71/53/01/761715301.db2.gz QOWYGFBWDHGXTI-LBPRGKRZSA-N 0 0 322.409 1.243 50 0 DDAARN 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1.874 50 0 DDAARN CC(C)Oc1ccc(CCNC(=O)[C@H](O)C(C)(C)CO)cc1 ZINC000585121315 771952504 /nfs/dbraw/zinc/95/25/04/771952504.db2.gz LUQOSOAZOKWWTH-HNNXBMFYSA-N 0 0 309.406 1.512 50 0 DDAARN CN1CCCN(C(=O)CN2C(=O)CCC2=O)c2ccc(F)cc21 ZINC000952850517 775573529 /nfs/dbraw/zinc/57/35/29/775573529.db2.gz XUEOLTRBGWLLOG-UHFFFAOYSA-N 0 0 319.336 1.148 50 0 DDAARN Cc1nc(C)c(C(=O)NCC2CCN(c3cnsn3)CC2)o1 ZINC000952871767 775614402 /nfs/dbraw/zinc/61/44/02/775614402.db2.gz ANNIPFSORWDFDC-UHFFFAOYSA-N 0 0 321.406 1.789 50 0 DDAARN Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1cnn(C)c1 ZINC000095478885 185373480 /nfs/dbraw/zinc/37/34/80/185373480.db2.gz PHPUPWFUJBAGLG-UHFFFAOYSA-N 0 0 315.308 1.216 50 0 DDAARN Cc1cc(C)nc(Nc2ccc(C(=O)NCCCO)cc2)n1 ZINC000095479212 185373677 /nfs/dbraw/zinc/37/36/77/185373677.db2.gz NISBTHDZFXNYFJ-UHFFFAOYSA-N 0 0 300.362 1.949 50 0 DDAARN O=C(NCCSc1c[nH]nn1)Nc1ccc2c(c1)OCCO2 ZINC000095502406 185374964 /nfs/dbraw/zinc/37/49/64/185374964.db2.gz CBRWLAXHVNAQKV-UHFFFAOYSA-N 0 0 321.362 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308.426 1.904 50 0 DDAARN CCn1nncc1C(=O)N1CCc2cccc(OC)c2CC1 ZINC000329077966 231436044 /nfs/dbraw/zinc/43/60/44/231436044.db2.gz QIIQZSMLACIZLE-UHFFFAOYSA-N 0 0 300.362 1.548 50 0 DDAARN CCNC(=O)N1CC[C@H](NC(=O)N2CCc3ccccc3C2)C1 ZINC000089977436 185273341 /nfs/dbraw/zinc/27/33/41/185273341.db2.gz DLUMHDHVOMKCBT-HNNXBMFYSA-N 0 0 316.405 1.558 50 0 DDAARN Cc1cn2c(n1)CC[C@H](NS(=O)(=O)N1CCCCCC1)C2 ZINC000090168901 185284747 /nfs/dbraw/zinc/28/47/47/185284747.db2.gz PSOCGQDETQQYMY-ZDUSSCGKSA-N 0 0 312.439 1.217 50 0 DDAARN O=S(=O)(c1cccs1)N1CCOC2(CCOCC2)C1 ZINC000090608841 185306377 /nfs/dbraw/zinc/30/63/77/185306377.db2.gz HWPULVGVDBXPCQ-UHFFFAOYSA-N 0 0 303.405 1.318 50 0 DDAARN CC(C)c1nc(CN(C)C(=O)c2cn3cccnc3n2)no1 ZINC000082097531 192355573 /nfs/dbraw/zinc/35/55/73/192355573.db2.gz NWGWTFIKGYXQCX-UHFFFAOYSA-N 0 0 300.322 1.508 50 0 DDAARN COC(=O)C[C@@H]1C(=O)NCCN1C/C=C\c1ccc(F)cc1 ZINC000255342820 282249196 /nfs/dbraw/zinc/24/91/96/282249196.db2.gz PGPRRSXNJAGABJ-PYLYLYNFSA-N 0 0 306.337 1.202 50 0 DDAARN O=C(NCc1ccncc1C(F)(F)F)[C@H]1CCCCC(=O)N1 ZINC000408521969 295698204 /nfs/dbraw/zinc/69/82/04/295698204.db2.gz AZRIAFMNTXGCIZ-LLVKDONJSA-N 0 0 315.295 1.775 50 0 DDAARN COc1ccc(CCC(=O)Nc2ncc(C(N)=O)s2)cc1F ZINC000096994670 185395647 /nfs/dbraw/zinc/39/56/47/185395647.db2.gz ALWUWFUMJLIZMK-UHFFFAOYSA-N 0 0 323.349 1.961 50 0 DDAARN Cn1cc([C@H]2CN(C(=O)NCc3cscn3)CCO2)cn1 ZINC000333300513 539319342 /nfs/dbraw/zinc/31/93/42/539319342.db2.gz STDOOWXWYYHBPQ-GFCCVEGCSA-N 0 0 307.379 1.160 50 0 DDAARN O=C1C2=C(CN1C[C@@H]1CCCO1)NC(=O)N[C@H]2c1cccs1 ZINC000012346792 190635508 /nfs/dbraw/zinc/63/55/08/190635508.db2.gz ZCJPXBXNOSOBMI-ZANVPECISA-N 0 0 319.386 1.377 50 0 DDAARN Cc1ncsc1CCN(C)C(=O)c1cnc(N(C)C)nc1C ZINC000095388981 185351285 /nfs/dbraw/zinc/35/12/85/185351285.db2.gz TVETYJYQBYSSMA-UHFFFAOYSA-N 0 0 319.434 1.931 50 0 DDAARN O=C(c1ccnc(-n2cnnc2)c1)N1CCC[C@]2(CCOC2)C1 ZINC000095388991 185351302 /nfs/dbraw/zinc/35/13/02/185351302.db2.gz MPCJECFOTSNFFQ-INIZCTEOSA-N 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721532608 /nfs/dbraw/zinc/53/26/08/721532608.db2.gz ZKNIRZOAGAXGIG-GFCCVEGCSA-N 0 0 313.361 1.822 50 0 DDAARN COC[C@H]1CCCN1S(=O)(=O)N(C)Cc1sccc1C ZINC000952989522 721533284 /nfs/dbraw/zinc/53/32/84/721533284.db2.gz XIHKIYCWHAXGEA-GFCCVEGCSA-N 0 0 318.464 1.844 50 0 DDAARN Cc1ccc(=O)n(CC2CCN(c3ncc(Cl)cn3)CC2)n1 ZINC000585503849 738648231 /nfs/dbraw/zinc/64/82/31/738648231.db2.gz ZTPGVLKNLDOWEQ-UHFFFAOYSA-N 0 0 319.796 1.912 50 0 DDAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CC(n2nccn2)C1 ZINC000888106946 734520546 /nfs/dbraw/zinc/52/05/46/734520546.db2.gz HBSJIAATJHHQFX-UHFFFAOYSA-N 0 0 312.251 1.874 50 0 DDAARN Cn1cc([C@H]2c3nccn3CCCN2C(=O)C2CC=CC2)cn1 ZINC000257180027 737246861 /nfs/dbraw/zinc/24/68/61/737246861.db2.gz DDIMNLUPXOLKMP-HNNXBMFYSA-N 0 0 311.389 1.905 50 0 DDAARN Cc1nc(C(=O)N2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)co1 ZINC000675010126 737516195 /nfs/dbraw/zinc/51/61/95/737516195.db2.gz GDZKDKQMFCFPJC-MNOVXSKESA-N 0 0 314.345 1.559 50 0 DDAARN COCc1cn([C@H]2CCN(C(=O)Cc3ccccc3C)C2)nn1 ZINC000675016840 737519885 /nfs/dbraw/zinc/51/98/85/737519885.db2.gz MYSWJKMXHPZOOO-INIZCTEOSA-N 0 0 314.389 1.749 50 0 DDAARN O=C(N[C@@H]1CCc2n[nH]c(=O)n2CC1)c1ccc2ccccc2n1 ZINC000169748652 744187548 /nfs/dbraw/zinc/18/75/48/744187548.db2.gz JWPBGEOVBQYYEV-GFCCVEGCSA-N 0 0 323.356 1.255 50 0 DDAARN CCOC(=O)c1[nH]c2ccccc2c1NS(=O)(=O)N(C)C ZINC000864235443 751217646 /nfs/dbraw/zinc/21/76/46/751217646.db2.gz XLIWGNSYOFBBDI-UHFFFAOYSA-N 0 0 311.363 1.563 50 0 DDAARN Cc1cc(C[C@@H](C)NC(=O)C=Cc2cnc(N(C)C)nc2)[nH]n1 ZINC000821439090 758159246 /nfs/dbraw/zinc/15/92/46/758159246.db2.gz PMGHUGPFTXAKCT-MVIFTORASA-N 0 0 314.393 1.335 50 0 DDAARN COCCn1cnnc1[C@@H](C)NC(=O)CCc1scnc1C ZINC000824466074 759181215 /nfs/dbraw/zinc/18/12/15/759181215.db2.gz FLAYPEOUPAEBIM-LLVKDONJSA-N 0 0 323.422 1.499 50 0 DDAARN Cc1csc(CNC(=O)c2nnc3nc(C)cc(C)n32)n1 ZINC000825258352 759232721 /nfs/dbraw/zinc/23/27/21/759232721.db2.gz YDFCGYGGAHPODI-UHFFFAOYSA-N 0 0 302.363 1.436 50 0 DDAARN Cc1cc(C(=O)N2CCC(O)(c3cccnc3)CC2)nc(C)n1 ZINC000825261483 759233369 /nfs/dbraw/zinc/23/33/69/759233369.db2.gz PYNYSVTUUOYBHD-UHFFFAOYSA-N 0 0 312.373 1.612 50 0 DDAARN Cc1nn(CCNS(=O)(=O)N2CCCCC2)c(C)c1C ZINC000825290542 759237823 /nfs/dbraw/zinc/23/78/23/759237823.db2.gz LAZRMYWKVGGXLV-UHFFFAOYSA-N 0 0 300.428 1.129 50 0 DDAARN O=C1OC[C@H]2CN(Cc3cnn(-c4cccc(F)c4)c3)CCN12 ZINC000826621202 759293645 /nfs/dbraw/zinc/29/36/45/759293645.db2.gz FTOZGMPYEMTVMM-OAHLLOKOSA-N 0 0 316.336 1.648 50 0 DDAARN C[C@@H](Cn1cncn1)C(=O)NCc1cc2cc(F)ccc2[nH]1 ZINC000827627988 759355298 /nfs/dbraw/zinc/35/52/98/759355298.db2.gz GTCNDAGOTSZGAG-JTQLQIEISA-N 0 0 301.325 1.851 50 0 DDAARN Cc1nc(CN2CCC[C@H](CNC(=O)C3CCOCC3)C2)c[nH]1 ZINC000827763913 759377467 /nfs/dbraw/zinc/37/74/67/759377467.db2.gz VLYQOWUFXCCANP-CQSZACIVSA-N 0 0 320.437 1.473 50 0 DDAARN CN(C[C@H]1Cc2ccccc2O1)C(=O)CCCN1CCCC1=O ZINC000827881231 759391862 /nfs/dbraw/zinc/39/18/62/759391862.db2.gz REVVGMCYHRALHX-OAHLLOKOSA-N 0 0 316.401 1.851 50 0 DDAARN Cc1nc(SCCNC(=O)CSc2nccc(C)n2)n[nH]1 ZINC000827846342 759400163 /nfs/dbraw/zinc/40/01/63/759400163.db2.gz FGAUVDITABALLN-UHFFFAOYSA-N 0 0 324.435 1.212 50 0 DDAARN NS(=O)(=O)CCCC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000828000452 759441877 /nfs/dbraw/zinc/44/18/77/759441877.db2.gz IXOSKFQXHFXGBO-OAHLLOKOSA-N 0 0 322.386 1.554 50 0 DDAARN Cc1nnc([C@H](C)NC(=O)c2sc3[nH]cnc(=O)c3c2C)[nH]1 ZINC000828231428 759565836 /nfs/dbraw/zinc/56/58/36/759565836.db2.gz HFEMEEXICZQEBR-LURJTMIESA-N 0 0 318.362 1.211 50 0 DDAARN Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H](O)C2 ZINC000828635577 759714660 /nfs/dbraw/zinc/71/46/60/759714660.db2.gz IYOFGXTXTQIAHD-GFCCVEGCSA-N 0 0 303.337 1.339 50 0 DDAARN O=C(C1CCOCC1)N1CC[C@@H](Cc2noc(C3CC3)n2)C1 ZINC000581781415 761698176 /nfs/dbraw/zinc/69/81/76/761698176.db2.gz GMAHMZAAHBDKFA-NSHDSACASA-N 0 0 305.378 1.765 50 0 DDAARN COCCCNC(=O)CC1=C2CCCC[C@H]2N(CCOC)C1=O ZINC000581793294 761710686 /nfs/dbraw/zinc/71/06/86/761710686.db2.gz UNMMTOXZEPSIFE-OAHLLOKOSA-N 0 0 324.421 1.257 50 0 DDAARN Cc1cnc(C2CN(C(=O)C3CCOCC3)C2)n1CC1CC1 ZINC000581812857 761714020 /nfs/dbraw/zinc/71/40/20/761714020.db2.gz PBGMOBPMXDPTEN-UHFFFAOYSA-N 0 0 303.406 1.954 50 0 DDAARN COCc1ncc(C)n1CCNC(=O)C[NH+]1CCCCCC1 ZINC000581813039 761715031 /nfs/dbraw/zinc/71/50/31/761715031.db2.gz NAVJDTMMKUIRHM-UHFFFAOYSA-N 0 0 308.426 1.330 50 0 DDAARN Nc1nc(Br)ccc1CN1CCc2n[nH]cc2C1 ZINC000585116813 771949758 /nfs/dbraw/zinc/94/97/58/771949758.db2.gz JHKHEPYXLJIUSK-UHFFFAOYSA-N 0 0 308.183 1.708 50 0 DDAARN Cc1cc(CNC(=O)[C@]2(C(=O)OC(C)(C)C)CCCO2)no1 ZINC000585120908 771955059 /nfs/dbraw/zinc/95/50/59/771955059.db2.gz VSESJFRDBVRTNQ-HNNXBMFYSA-N 0 0 310.350 1.490 50 0 DDAARN COC(=O)[C@@H](C)NC(=O)c1nc(C(F)(F)F)n2ccccc12 ZINC000585129407 771961914 /nfs/dbraw/zinc/96/19/14/771961914.db2.gz IQCYEYFMXOMGOC-SSDOTTSWSA-N 0 0 315.251 1.644 50 0 DDAARN O=C(NC[C@@H]1CCCN(c2cnsn2)C1)c1cscn1 ZINC000952869648 775601942 /nfs/dbraw/zinc/60/19/42/775601942.db2.gz XQMCWFAHPWIXPL-VIFPVBQESA-N 0 0 309.420 1.641 50 0 DDAARN Cc1cc(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)c(C)cc1Cl ZINC000952873076 775618540 /nfs/dbraw/zinc/61/85/40/775618540.db2.gz FWJMNBUSMRKZKJ-GHMZBOCLSA-N 0 0 307.774 1.660 50 0 DDAARN CC[C@H]1CN(c2nnnn2CCCC2(O)CCC2)C[C@H](CC)O1 ZINC000952878168 775628573 /nfs/dbraw/zinc/62/85/73/775628573.db2.gz AVCHLXFVAUJKDR-KBPBESRZSA-N 0 0 323.441 1.762 50 0 DDAARN Cn1cnc(CCNC(=O)[C@@H]2CCCCO2)c1Br ZINC000952878732 775629557 /nfs/dbraw/zinc/62/95/57/775629557.db2.gz ICXYHNBKJHOKAO-JTQLQIEISA-N 0 0 316.199 1.410 50 0 DDAARN O=C1N[C@@H](c2nc(-c3ccc(N4CCCCC4)nc3)no2)CO1 ZINC000952880423 775632281 /nfs/dbraw/zinc/63/22/81/775632281.db2.gz AZYUNNVUWKPJPN-LLVKDONJSA-N 0 0 315.333 1.903 50 0 DDAARN CCc1nc(NC[C@]2(OC)CCS(=O)(=O)C2)sc1C ZINC000952880524 775632433 /nfs/dbraw/zinc/63/24/33/775632433.db2.gz GMXNIFWOEHVGIA-GFCCVEGCSA-N 0 0 304.437 1.630 50 0 DDAARN CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(C2CC2)c1 ZINC000952883811 775644174 /nfs/dbraw/zinc/64/41/74/775644174.db2.gz 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/nfs/dbraw/zinc/03/48/62/407034862.db2.gz PWPDKAJXNVNTSW-UHFFFAOYSA-N 0 0 305.407 1.912 50 0 DDAARN NC(=O)[C@H]1CCCN(C(=O)c2sccc2Br)C1 ZINC000044948852 407034931 /nfs/dbraw/zinc/03/49/31/407034931.db2.gz FXABJKIPSUWWMT-ZETCQYMHSA-N 0 0 317.208 1.848 50 0 DDAARN C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc2ccccc2o1 ZINC000044945978 407034986 /nfs/dbraw/zinc/03/49/86/407034986.db2.gz IDLBROPBWAPIHA-CMPLNLGQSA-N 0 0 322.386 1.980 50 0 DDAARN O=C(CS(=O)(=O)c1ccccn1)NCCc1ccc(F)cc1 ZINC000044946789 407035115 /nfs/dbraw/zinc/03/51/15/407035115.db2.gz AZUMDVRWLOLDEM-UHFFFAOYSA-N 0 0 322.361 1.353 50 0 DDAARN C[C@H]1COCCN1C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000044972027 407036010 /nfs/dbraw/zinc/03/60/10/407036010.db2.gz FPVFAKLUYJDMMH-NSHDSACASA-N 0 0 308.334 1.224 50 0 DDAARN O=C(NCc1cn2ccccc2n1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000044980464 407037085 /nfs/dbraw/zinc/03/70/85/407037085.db2.gz CMIAPMWAPRUAJP-DOTOQJQBSA-N 0 0 322.368 1.792 50 0 DDAARN C[C@H](SCc1cccc(S(=O)(=O)N(C)C)c1)C(N)=O ZINC000045090030 407038814 /nfs/dbraw/zinc/03/88/14/407038814.db2.gz FMMXMYOHAHWESW-VIFPVBQESA-N 0 0 302.421 1.044 50 0 DDAARN COCCN1C[C@H](C(=O)N2CCC[C@@H]2c2cccs2)CC1=O ZINC000045309290 407042525 /nfs/dbraw/zinc/04/25/25/407042525.db2.gz QWDXFRUZFASHHK-CHWSQXEVSA-N 0 0 322.430 1.907 50 0 DDAARN O=C(Nc1ccnc2ccnn21)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000078717214 407042757 /nfs/dbraw/zinc/04/27/57/407042757.db2.gz WLBCNDOVMOLCQZ-LBPRGKRZSA-N 0 0 308.297 1.450 50 0 DDAARN C[C@@H]1CO[C@@H](C)CN1C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000045447384 407044391 /nfs/dbraw/zinc/04/43/91/407044391.db2.gz ILYXIGGOLRFOHM-NEPJUHHUSA-N 0 0 315.373 1.112 50 0 DDAARN C[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)[C@@H](C)CO1 ZINC000045524628 407045058 /nfs/dbraw/zinc/04/50/58/407045058.db2.gz XUCPQHMQRBIHTP-VHSXEESVSA-N 0 0 307.375 1.094 50 0 DDAARN Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCCCNC1=O ZINC000045741321 407047422 /nfs/dbraw/zinc/04/74/22/407047422.db2.gz ZXIKVGPUWZAUES-NSHDSACASA-N 0 0 300.355 1.081 50 0 DDAARN Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCC(F)F)c12 ZINC000036619382 406982052 /nfs/dbraw/zinc/98/20/52/406982052.db2.gz VZPSBGORMGLQJA-UHFFFAOYSA-N 0 0 321.287 1.927 50 0 DDAARN CC(C)(C)OC(=O)NCCc1cn(Cc2cscn2)nn1 ZINC000036719729 406982869 /nfs/dbraw/zinc/98/28/69/406982869.db2.gz BWELGKPMMFZVEZ-UHFFFAOYSA-N 0 0 309.395 1.850 50 0 DDAARN COC(=O)c1coc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC000077393148 406989127 /nfs/dbraw/zinc/98/91/27/406989127.db2.gz IOMAEOLDRXSMBX-LLVKDONJSA-N 0 0 315.329 1.356 50 0 DDAARN CCCN(Cc1cnn(C)c1)C(=O)Nc1ccn(CCOC)n1 ZINC000077440153 406991261 /nfs/dbraw/zinc/99/12/61/406991261.db2.gz OJDGDAWDYTWRHR-UHFFFAOYSA-N 0 0 320.397 1.707 50 0 DDAARN COCc1c(C)onc1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077488413 406993166 /nfs/dbraw/zinc/99/31/66/406993166.db2.gz DIXPOIWLGOKWPM-LLVKDONJSA-N 0 0 304.350 1.872 50 0 DDAARN Cc1ccccc1N1CCN(C(=O)c2cnc[nH]c2=O)[C@H](C)C1 ZINC000077503437 406993279 /nfs/dbraw/zinc/99/32/79/406993279.db2.gz PSAHGNFVYPTBBU-CYBMUJFWSA-N 0 0 312.373 1.429 50 0 DDAARN Cc1ccccc1OC1CCN(C(=O)CNC(=O)N(C)C)CC1 ZINC000077504298 406993691 /nfs/dbraw/zinc/99/36/91/406993691.db2.gz XFJAOUPPMTWPFL-UHFFFAOYSA-N 0 0 319.405 1.636 50 0 DDAARN Cc1nc2n(c(=O)c1C)CN(CCO)CN2c1ccccc1 ZINC000038829844 407001479 /nfs/dbraw/zinc/00/14/79/407001479.db2.gz XIXWGAWUQGQIEH-UHFFFAOYSA-N 0 0 300.362 1.221 50 0 DDAARN CCC[C@H](C)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000040091140 407001524 /nfs/dbraw/zinc/00/15/24/407001524.db2.gz AZCSFHVFOZYSIP-STQMWFEESA-N 0 0 316.405 1.972 50 0 DDAARN CN1CCCN(C(=O)[C@H]2CCCO2)c2nc3ccccc3nc21 ZINC000040462807 407002760 /nfs/dbraw/zinc/00/27/60/407002760.db2.gz QJVUMHXHYSCMKJ-CQSZACIVSA-N 0 0 312.373 1.982 50 0 DDAARN CN(C(=O)CNC1=NS(=O)(=O)c2ccccc21)C1CCCC1 ZINC000040475553 407003061 /nfs/dbraw/zinc/00/30/61/407003061.db2.gz MEDXJBZXDHLWCW-UHFFFAOYSA-N 0 0 321.402 1.126 50 0 DDAARN NC(=O)NCc1ccc(C(=O)N2CCOc3ccccc32)cc1 ZINC000040516653 407004244 /nfs/dbraw/zinc/00/42/44/407004244.db2.gz MLAJOHOGGKWAOW-UHFFFAOYSA-N 0 0 311.341 1.894 50 0 DDAARN CCO[C@H](C)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000048235255 407092212 /nfs/dbraw/zinc/09/22/12/407092212.db2.gz SZHFRJQCQZYUGL-CQSZACIVSA-N 0 0 316.405 1.404 50 0 DDAARN COc1ccc(C)cc1/C=C/C(=O)N1CCN(C(C)=O)CC1 ZINC000048230647 407092249 /nfs/dbraw/zinc/09/22/49/407092249.db2.gz VSBFTUKDRNLRGX-FNORWQNLSA-N 0 0 302.374 1.708 50 0 DDAARN O=C(NCCCn1ccnc1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000048230952 407092873 /nfs/dbraw/zinc/09/28/73/407092873.db2.gz JFFRHWOIYLZAMP-LSDHHAIUSA-N 0 0 300.362 1.231 50 0 DDAARN CN(Cc1csc(-c2ncccn2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000048287032 407093881 /nfs/dbraw/zinc/09/38/81/407093881.db2.gz NISJAWPBPIZJPM-NSHDSACASA-N 0 0 324.431 1.219 50 0 DDAARN O=C(NCCCOC[C@@H]1CCCO1)c1cn2ccccc2n1 ZINC000048332261 407094907 /nfs/dbraw/zinc/09/49/07/407094907.db2.gz PQYPHQYOIVQGTI-ZDUSSCGKSA-N 0 0 303.362 1.650 50 0 DDAARN Cc1ncc2c(n1)CCN(C(=O)NC[C@H]1Cc3ccccc3O1)C2 ZINC000048325303 407094992 /nfs/dbraw/zinc/09/49/92/407094992.db2.gz RHIYEAFJWWEHQN-OAHLLOKOSA-N 0 0 324.384 1.856 50 0 DDAARN Cn1ncc(C(=O)N[C@H]2CCOC(C)(C)C2)c1-n1cccc1 ZINC000079494981 407055911 /nfs/dbraw/zinc/05/59/11/407055911.db2.gz AGWDGUIIPMOQQF-LBPRGKRZSA-N 0 0 302.378 1.898 50 0 DDAARN CNC(=O)CS(=O)(=O)Cc1coc(-c2cccc(F)c2)n1 ZINC000046174374 407056640 /nfs/dbraw/zinc/05/66/40/407056640.db2.gz CPIXSKGNZKFSSZ-UHFFFAOYSA-N 0 0 312.322 1.142 50 0 DDAARN C[C@H]1COCCN1C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000047070070 407069898 /nfs/dbraw/zinc/06/98/98/407069898.db2.gz MFBWQNVESAYYJL-NSHDSACASA-N 0 0 324.352 1.665 50 0 DDAARN NC(=O)C1CCN(C(=O)c2cnc3c(F)cccc3c2O)CC1 ZINC000049548546 407122986 /nfs/dbraw/zinc/12/29/86/407122986.db2.gz WSRJBRYIOCTAFA-UHFFFAOYSA-N 0 0 317.320 1.005 50 0 DDAARN O=C(NCc1ccnc(N2CCCC2)c1)NC[C@H]1CCCO1 ZINC000047594353 407075829 /nfs/dbraw/zinc/07/58/29/407075829.db2.gz FGUGVBDXPUNJKA-CQSZACIVSA-N 0 0 304.394 1.660 50 0 DDAARN Cn1ccnc1[C@@H](NC(=O)NCCCO)c1ccc(Cl)cc1 ZINC000047598481 407077010 /nfs/dbraw/zinc/07/70/10/407077010.db2.gz VEZQKHJJKUEESH-ZDUSSCGKSA-N 0 0 322.796 1.845 50 0 DDAARN C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)C ZINC000047651906 407079168 /nfs/dbraw/zinc/07/91/68/407079168.db2.gz AVYQTYRKRCOTKM-QMMMGPOBSA-N 0 0 324.324 1.460 50 0 DDAARN Cc1cc(C(=O)N[C@H]2CCCCN(C(=O)N3CCCC3)C2)no1 ZINC000082115580 407080579 /nfs/dbraw/zinc/08/05/79/407080579.db2.gz OXJOSUYZBYLQAU-ZDUSSCGKSA-N 0 0 320.393 1.783 50 0 DDAARN CCn1cnnc1CNC(=O)N[C@H]1CCOc2ccccc21 ZINC000047866897 407081925 /nfs/dbraw/zinc/08/19/25/407081925.db2.gz GXYCKJMHZOZKLA-LBPRGKRZSA-N 0 0 301.350 1.621 50 0 DDAARN Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H](O)C1CC1)C(C)C ZINC000084234491 407085398 /nfs/dbraw/zinc/08/53/98/407085398.db2.gz PNSCVBHHPSXALN-HOTGVXAUSA-N 0 0 318.417 1.637 50 0 DDAARN NC(=O)CN1CCC(Nc2cncc(Br)c2)CC1 ZINC000084338585 407086900 /nfs/dbraw/zinc/08/69/00/407086900.db2.gz HDMDNIMFRZHVRE-UHFFFAOYSA-N 0 0 313.199 1.206 50 0 DDAARN COCCNS(=O)(=O)c1cc(C)c(C)cc1Br ZINC000048044565 407087596 /nfs/dbraw/zinc/08/75/96/407087596.db2.gz LMCQRXPEIDAMTF-UHFFFAOYSA-N 0 0 322.224 1.991 50 0 DDAARN CCn1ncc(Br)c1C(=O)N1CCN(CC)CC1 ZINC000055009889 407192229 /nfs/dbraw/zinc/19/22/29/407192229.db2.gz NDJUMYIDOGZHTH-UHFFFAOYSA-N 0 0 315.215 1.443 50 0 DDAARN CCc1cc(C(=O)OC[C@@H]2CCCN2c2ccc(C)nn2)n[nH]1 ZINC000089282831 407129567 /nfs/dbraw/zinc/12/95/67/407129567.db2.gz DRGLXACCELZQNL-ZDUSSCGKSA-N 0 0 315.377 1.896 50 0 DDAARN CN(C)c1cccc(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000089326692 407130461 /nfs/dbraw/zinc/13/04/61/407130461.db2.gz FZSYNVKZYJWCOZ-JKSUJKDBSA-N 0 0 304.390 1.773 50 0 DDAARN COC(=O)[C@H](C)N(CC(=O)N(C)CC1CC1)Cc1ccccc1 ZINC000089496775 407137913 /nfs/dbraw/zinc/13/79/13/407137913.db2.gz RCUWYYCHGWVJHL-AWEZNQCLSA-N 0 0 318.417 1.919 50 0 DDAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2nccs2)cc1 ZINC000051357215 407138693 /nfs/dbraw/zinc/13/86/93/407138693.db2.gz VPZVBOLDZFCXCI-UHFFFAOYSA-N 0 0 319.342 1.897 50 0 DDAARN Cc1c(CC(=O)N2CCN(C)C[C@@H]2C)nnn1-c1ccccc1 ZINC000089556378 407139237 /nfs/dbraw/zinc/13/92/37/407139237.db2.gz FIVDTGKZRDLPSJ-ZDUSSCGKSA-N 0 0 313.405 1.281 50 0 DDAARN Cc1cc(C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)nn1C(C)(C)C ZINC000051450084 407140270 /nfs/dbraw/zinc/14/02/70/407140270.db2.gz WYZFAFHXTFTKDO-KBPBESRZSA-N 0 0 322.453 1.786 50 0 DDAARN Cc1cccc2nc(CNC(=O)NC3(CO)CCCC3)cn21 ZINC000089689090 407144120 /nfs/dbraw/zinc/14/41/20/407144120.db2.gz JRZYUIWSMKVQJF-UHFFFAOYSA-N 0 0 302.378 1.747 50 0 DDAARN CC(C)[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(N)=O ZINC000089775776 407147792 /nfs/dbraw/zinc/14/77/92/407147792.db2.gz OOYRKILWBKISNI-SNVBAGLBSA-N 0 0 324.324 1.902 50 0 DDAARN O=C(NC[C@H](O)C1CCOCC1)c1c(F)cccc1Cl ZINC000089768011 407148311 /nfs/dbraw/zinc/14/83/11/407148311.db2.gz DKCGZBFSJUCLDG-LBPRGKRZSA-N 0 0 301.745 1.996 50 0 DDAARN COCCOc1ccc(CNc2ncnc3c2cnn3C)cn1 ZINC000052315443 407150529 /nfs/dbraw/zinc/15/05/29/407150529.db2.gz SJOJJKZHRLDERY-UHFFFAOYSA-N 0 0 314.349 1.396 50 0 DDAARN NS(=O)(=O)CCNc1ncnc2sc3c(c21)CCCC3 ZINC000052356977 407150559 /nfs/dbraw/zinc/15/05/59/407150559.db2.gz DRPNPYTUKOVZKR-UHFFFAOYSA-N 0 0 312.420 1.271 50 0 DDAARN O=S(=O)(C1=Cc2ccccc2CC1)N1CCCn2ncnc21 ZINC000089857931 407154510 /nfs/dbraw/zinc/15/45/10/407154510.db2.gz NDIJSHZUDQQVIU-UHFFFAOYSA-N 0 0 316.386 1.805 50 0 DDAARN O=C(NCc1ccnc(N2CCCCC2)c1)NC[C@H]1CCOC1 ZINC000089884804 407155203 /nfs/dbraw/zinc/15/52/03/407155203.db2.gz IGTYAPXAQUAXQI-OAHLLOKOSA-N 0 0 318.421 1.908 50 0 DDAARN COCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCCN(C(C)C)C1=O ZINC000089885183 407155745 /nfs/dbraw/zinc/15/57/45/407155745.db2.gz CORMEXFIUXNINV-QWHCGFSZSA-N 0 0 321.425 1.248 50 0 DDAARN C[C@H]1CCN(C)c2ccccc2N1C(=O)C1=NN(C)C(=O)CC1 ZINC000089930021 407159916 /nfs/dbraw/zinc/15/99/16/407159916.db2.gz INSQZLRYEUMIOG-LBPRGKRZSA-N 0 0 314.389 1.856 50 0 DDAARN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)OCCc1cccs1 ZINC000089942193 407161085 /nfs/dbraw/zinc/16/10/85/407161085.db2.gz IOGUWPBXWHTRCP-CMPLNLGQSA-N 0 0 319.448 1.798 50 0 DDAARN O=C(c1cn(Cc2ccccc2)nn1)N1CCO[C@H]2CCC[C@@H]21 ZINC000053382951 407167519 /nfs/dbraw/zinc/16/75/19/407167519.db2.gz INRLOFUUGHNSAT-HOTGVXAUSA-N 0 0 312.373 1.720 50 0 DDAARN C[C@H]1C(=O)N(CCS(C)(=O)=O)C(=O)N1c1ccc(F)cc1 ZINC000053534091 407170116 /nfs/dbraw/zinc/17/01/16/407170116.db2.gz HBFVFLJQMHTZEN-VIFPVBQESA-N 0 0 314.338 1.027 50 0 DDAARN Cc1ccc(-c2nc(C(=O)N3CC[C@H](C(N)=O)C3)cs2)o1 ZINC000053894656 407174807 /nfs/dbraw/zinc/17/48/07/407174807.db2.gz DZDXZTQRSZQYLL-VIFPVBQESA-N 0 0 305.359 1.659 50 0 DDAARN COC(=O)[C@@H](CCSC)Nc1nc(C)nc2oc(C)nc21 ZINC000055060835 407194318 /nfs/dbraw/zinc/19/43/18/407194318.db2.gz OYCJPICSJYDLCG-SECBINFHSA-N 0 0 310.379 1.941 50 0 DDAARN Cc1noc([C@@H]2CCCN(CC(=O)N3CCCCCC3)C2)n1 ZINC000054677719 407187992 /nfs/dbraw/zinc/18/79/92/407187992.db2.gz QRAPXWQWDRTRRY-CQSZACIVSA-N 0 0 306.410 1.960 50 0 DDAARN Cc1ccc2cccc(C(=O)N3CCS(=O)(=O)CC3)c2n1 ZINC000096420755 407263003 /nfs/dbraw/zinc/26/30/03/407263003.db2.gz DQQRNKCZDNVGIV-UHFFFAOYSA-N 0 0 304.371 1.414 50 0 DDAARN CC1(C)C(=O)NCCN1CCCS(=O)(=O)c1ccccc1 ZINC000066530011 407253130 /nfs/dbraw/zinc/25/31/30/407253130.db2.gz XMLLLYQPOXQBMU-UHFFFAOYSA-N 0 0 310.419 1.061 50 0 DDAARN Cc1cc(C)n(Cc2cccc(N[C@H](C)C(=O)NC(N)=O)c2)n1 ZINC000066583558 407255428 /nfs/dbraw/zinc/25/54/28/407255428.db2.gz BVBNBAZNTBEOME-GFCCVEGCSA-N 0 0 315.377 1.544 50 0 DDAARN COCC[C@@H](C)NS(=O)(=O)c1cnn(-c2ccc(C)cc2)c1 ZINC000096421228 407263385 /nfs/dbraw/zinc/26/33/85/407263385.db2.gz IGGVSSRYEVIICP-CYBMUJFWSA-N 0 0 323.418 1.884 50 0 DDAARN COc1ccccc1C[C@@H]1CCCN(c2ccc3nnnn3n2)C1 ZINC000066817606 407259410 /nfs/dbraw/zinc/25/94/10/407259410.db2.gz PFJLLTCLGQYKGJ-ZDUSSCGKSA-N 0 0 324.388 1.987 50 0 DDAARN CCc1nnc(SCC(=O)NCCCC[C@@H]2CCCO2)[nH]1 ZINC000055270272 407199163 /nfs/dbraw/zinc/19/91/63/407199163.db2.gz AGAMVEFLZGGTDS-LLVKDONJSA-N 0 0 312.439 1.925 50 0 DDAARN O=C(CCc1nccs1)N1CCC(N2CCNC2=O)CC1 ZINC000055316351 407200795 /nfs/dbraw/zinc/20/07/95/407200795.db2.gz UIKKMTJDEIAHPP-UHFFFAOYSA-N 0 0 308.407 1.092 50 0 DDAARN C[C@H](NC(=O)CCn1cncn1)c1ccc2c(c1)OCCO2 ZINC000055292706 407201130 /nfs/dbraw/zinc/20/11/30/407201130.db2.gz WZOWVVCOIKUGQP-NSHDSACASA-N 0 0 302.334 1.317 50 0 DDAARN C[C@@H]1CN(c2ccc(NC(=O)Cn3cccn3)cc2)CCO1 ZINC000096413142 407261482 /nfs/dbraw/zinc/26/14/82/407261482.db2.gz GEQHILBMBCQPFI-CYBMUJFWSA-N 0 0 300.362 1.747 50 0 DDAARN C[C@H]1C[C@H]1C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000055645353 407206532 /nfs/dbraw/zinc/20/65/32/407206532.db2.gz VWOUWODMWRXMCQ-DZGCQCFKSA-N 0 0 322.430 1.566 50 0 DDAARN O=C(CNc1ccccc1Cl)N1CCN(C(=O)C2CC2)CC1 ZINC000055824491 407206707 /nfs/dbraw/zinc/20/67/07/407206707.db2.gz RZRATZOYJYJEPY-UHFFFAOYSA-N 0 0 321.808 1.833 50 0 DDAARN COCC[C@H]1CN(c2ncnc3nc(C)cc(C)c32)CCO1 ZINC000095354612 407208366 /nfs/dbraw/zinc/20/83/66/407208366.db2.gz DFTQYEIAIHZYFN-ZDUSSCGKSA-N 0 0 302.378 1.883 50 0 DDAARN Cc1cnn(CCC(=O)Nc2cccc(C(=O)N(C)C)n2)c1 ZINC000096421759 407263327 /nfs/dbraw/zinc/26/33/27/407263327.db2.gz WNOAWFXSXQAGQR-UHFFFAOYSA-N 0 0 301.350 1.317 50 0 DDAARN Cc1nc(N(C)C)ncc1C(=O)NCCCOc1cccnc1 ZINC000095381304 407212208 /nfs/dbraw/zinc/21/22/08/407212208.db2.gz VPGNBIJNAVCHJM-UHFFFAOYSA-N 0 0 315.377 1.445 50 0 DDAARN O=C(NCCS(=O)(=O)c1ccccc1)NCc1cccnc1 ZINC000057422738 407215524 /nfs/dbraw/zinc/21/55/24/407215524.db2.gz WQYPXDHTLWLTBU-UHFFFAOYSA-N 0 0 319.386 1.355 50 0 DDAARN OC[C@H]1CCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000095948539 407215918 /nfs/dbraw/zinc/21/59/18/407215918.db2.gz TUMCCEGHKOOBJG-LLVKDONJSA-N 0 0 303.318 1.422 50 0 DDAARN CCCOc1ccc(S(=O)(=O)NCCO)cc1OCCC ZINC000095945981 407216016 /nfs/dbraw/zinc/21/60/16/407216016.db2.gz PYEQAVRLPJLLNK-UHFFFAOYSA-N 0 0 317.407 1.535 50 0 DDAARN Cc1cc(CN2CCN(CC(=O)Nc3nccs3)CC2)on1 ZINC000095947225 407216404 /nfs/dbraw/zinc/21/64/04/407216404.db2.gz VHNWBJCQBGSXFH-UHFFFAOYSA-N 0 0 321.406 1.196 50 0 DDAARN NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1F ZINC000095963906 407217789 /nfs/dbraw/zinc/21/77/89/407217789.db2.gz YYGDFYFPVPUOMR-ONGXEEELSA-N 0 0 300.355 1.148 50 0 DDAARN Cc1cc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)c[nH]c1=O ZINC000095975692 407219393 /nfs/dbraw/zinc/21/93/93/407219393.db2.gz DVYWJFBIVCQCBI-LBPRGKRZSA-N 0 0 313.361 1.479 50 0 DDAARN CCNc1ncc(C(=O)N2CCN([C@H](CC)CO)CC2)s1 ZINC000095979688 407219949 /nfs/dbraw/zinc/21/99/49/407219949.db2.gz PUAJBBPLHSDCBQ-LLVKDONJSA-N 0 0 312.439 1.104 50 0 DDAARN O=C(NCCn1cccc1)NC[C@@H]1COC2(CCCCC2)O1 ZINC000095986861 407220845 /nfs/dbraw/zinc/22/08/45/407220845.db2.gz OOIFNTBHNOFXQH-CQSZACIVSA-N 0 0 307.394 1.863 50 0 DDAARN CN(C)C(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000058380187 407220965 /nfs/dbraw/zinc/22/09/65/407220965.db2.gz QZORRVALZRDTGC-KBPBESRZSA-N 0 0 313.357 1.349 50 0 DDAARN Cc1cccc2nc(CSCCCNS(C)(=O)=O)cn21 ZINC000096008428 407223543 /nfs/dbraw/zinc/22/35/43/407223543.db2.gz FABQQSOOSNSIQU-UHFFFAOYSA-N 0 0 313.448 1.815 50 0 DDAARN CSC[C@@](C)(O)CNS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000096025970 407224263 /nfs/dbraw/zinc/22/42/63/407224263.db2.gz MRONCJUFELQLIH-ZDUSSCGKSA-N 0 0 317.432 1.014 50 0 DDAARN COc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cn1 ZINC000061718152 407229153 /nfs/dbraw/zinc/22/91/53/407229153.db2.gz ASRBBPORNFREBF-UHFFFAOYSA-N 0 0 316.342 1.720 50 0 DDAARN CCn1cc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)cn1 ZINC000096101475 407236994 /nfs/dbraw/zinc/23/69/94/407236994.db2.gz KJILDVDCRBOKQN-GFCCVEGCSA-N 0 0 304.394 1.705 50 0 DDAARN Cc1ccnn1-c1cccc(NC(=O)N[C@@H]2CCN(C)C2=O)c1 ZINC000096415849 407262543 /nfs/dbraw/zinc/26/25/43/407262543.db2.gz KZLSDHYJRWJIEP-CQSZACIVSA-N 0 0 313.361 1.533 50 0 DDAARN CCc1ccccc1NC(=O)Cn1cnc2onc(C)c2c1=O ZINC000064960398 407239396 /nfs/dbraw/zinc/23/93/96/407239396.db2.gz DRVSZTXIADTBLB-UHFFFAOYSA-N 0 0 312.329 1.894 50 0 DDAARN CCc1nc(CCNC(=O)Nc2ccc3n[nH]nc3c2)no1 ZINC000096131872 407239629 /nfs/dbraw/zinc/23/96/29/407239629.db2.gz OYIKKJPPEOKCIJ-UHFFFAOYSA-N 0 0 301.310 1.268 50 0 DDAARN COc1cc(N2CCCN(c3ccc(F)cc3)CC2)nc(N)n1 ZINC000096138874 407239833 /nfs/dbraw/zinc/23/98/33/407239833.db2.gz VYDUDYAHTJPSEQ-UHFFFAOYSA-N 0 0 317.368 1.923 50 0 DDAARN Cc1nnnn1Cc1ccc(-c2nc([C@H]3CCOC3)no2)cc1 ZINC000096151031 407240472 /nfs/dbraw/zinc/24/04/72/407240472.db2.gz QLJARCSQPLGUOB-ZDUSSCGKSA-N 0 0 312.333 1.584 50 0 DDAARN O=C(Cn1ccc2ccn(CC3CC3)c2c1=O)N1CCOCC1 ZINC000065224801 407240488 /nfs/dbraw/zinc/24/04/88/407240488.db2.gz QCDWSGIQWWCLJF-UHFFFAOYSA-N 0 0 315.373 1.072 50 0 DDAARN CCOc1nccnc1N1CC[C@@H](N(C)C(=O)c2ccco2)C1 ZINC000065268898 407241122 /nfs/dbraw/zinc/24/11/22/407241122.db2.gz CUPJWNFHVGPGJA-GFCCVEGCSA-N 0 0 316.361 1.819 50 0 DDAARN COCCCNC(=O)N[C@@H]1CCN(Cc2ccc(OC)nc2)C1 ZINC000065267384 407241146 /nfs/dbraw/zinc/24/11/46/407241146.db2.gz PUBUYHKRYXTSSC-CQSZACIVSA-N 0 0 322.409 1.000 50 0 DDAARN CC1CCN(C(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)CC1 ZINC000065313826 407242428 /nfs/dbraw/zinc/24/24/28/407242428.db2.gz VLHXSJUCSXJJFI-AWEZNQCLSA-N 0 0 318.421 1.255 50 0 DDAARN Cc1cc(C(=O)NCCC(=O)NCc2ccccc2)n(C)n1 ZINC000096192459 407246394 /nfs/dbraw/zinc/24/63/94/407246394.db2.gz BPDKJJPZTYWONU-UHFFFAOYSA-N 0 0 300.362 1.165 50 0 DDAARN O=C1C[C@@H](Cc2ccc(F)cc2)C(=O)N1C[C@H](O)C(F)(F)F ZINC000102231037 407321249 /nfs/dbraw/zinc/32/12/49/407321249.db2.gz LFPVOMNHLXXRCB-KOLCDFICSA-N 0 0 319.254 1.667 50 0 DDAARN Cc1nnc(CNC(=O)C[C@H]2c3cc(C)cc(C)c3NC2=O)o1 ZINC000102547153 407323929 /nfs/dbraw/zinc/32/39/29/407323929.db2.gz MMFQFMBOLORKKY-LBPRGKRZSA-N 0 0 314.345 1.737 50 0 DDAARN CS(=O)(=O)CCN(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000096424439 407263929 /nfs/dbraw/zinc/26/39/29/407263929.db2.gz AYEDHZZFDMVMOR-CQSZACIVSA-N 0 0 301.383 1.368 50 0 DDAARN C[C@H]1CN(S(=O)(=O)N2CCC3(C2)CCCCC3)CCO1 ZINC000096428479 407265044 /nfs/dbraw/zinc/26/50/44/407265044.db2.gz MDTQWYZRMJTBBC-ZDUSSCGKSA-N 0 0 302.440 1.608 50 0 DDAARN CNC(=O)c1cccnc1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000096429234 407265182 /nfs/dbraw/zinc/26/51/82/407265182.db2.gz ZUMWYOOGQWKSAB-UHFFFAOYSA-N 0 0 324.384 1.946 50 0 DDAARN C[C@H]1CCN(CCS(C)(=O)=O)CCN1Cc1ccccc1 ZINC000096435852 407266009 /nfs/dbraw/zinc/26/60/09/407266009.db2.gz NBHMMLHMFWCGFS-HNNXBMFYSA-N 0 0 310.463 1.627 50 0 DDAARN COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccn[nH]3)n2)c1 ZINC000096432739 407266101 /nfs/dbraw/zinc/26/61/01/407266101.db2.gz KMYAFWVJUVPBSD-SECBINFHSA-N 0 0 313.317 1.959 50 0 DDAARN CN(CCOc1cccc(F)c1)c1nnc(Cl)cc1C(N)=O ZINC000096446509 407267393 /nfs/dbraw/zinc/26/73/93/407267393.db2.gz PPJWOPMRFTXELT-UHFFFAOYSA-N 0 0 324.743 1.883 50 0 DDAARN CN(C)C(=O)CN(C#N)c1ccc(F)c(Br)c1 ZINC000096447839 407267935 /nfs/dbraw/zinc/26/79/35/407267935.db2.gz LFCSGWPUTZJXCZ-UHFFFAOYSA-N 0 0 300.131 1.964 50 0 DDAARN COC(=O)CCNC(=O)CCCN(C)C(=O)OC(C)(C)C ZINC000067145063 407267998 /nfs/dbraw/zinc/26/79/98/407267998.db2.gz GFDXWDWKCDYHQW-UHFFFAOYSA-N 0 0 302.371 1.313 50 0 DDAARN O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067143125 407268543 /nfs/dbraw/zinc/26/85/43/407268543.db2.gz FGSBLPCQFZXYEY-QWHCGFSZSA-N 0 0 300.337 1.783 50 0 DDAARN CN(CC(=O)N1CCC(=Cc2ccccc2)CC1)S(C)(=O)=O ZINC000096454728 407269313 /nfs/dbraw/zinc/26/93/13/407269313.db2.gz VWRWSVCWCKLKCG-UHFFFAOYSA-N 0 0 322.430 1.584 50 0 DDAARN CN(Cc1ccco1)C(=O)CNc1ccc(-n2cncn2)cc1 ZINC000096453325 407269373 /nfs/dbraw/zinc/26/93/73/407269373.db2.gz LCBWAWMNWWJTFV-UHFFFAOYSA-N 0 0 311.345 1.931 50 0 DDAARN CCS(=O)(=O)N1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000096489619 407272134 /nfs/dbraw/zinc/27/21/34/407272134.db2.gz OAYXUGPAQGDZIB-UHFFFAOYSA-N 0 0 307.419 1.635 50 0 DDAARN C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(=O)n(C)c1 ZINC000096487237 407272803 /nfs/dbraw/zinc/27/28/03/407272803.db2.gz JPJXIOSNOSRCCF-JTQLQIEISA-N 0 0 304.371 1.838 50 0 DDAARN COCCN(Cc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000096496438 407273023 /nfs/dbraw/zinc/27/30/23/407273023.db2.gz ODDYBBAFZBKIJY-CYBMUJFWSA-N 0 0 318.826 1.371 50 0 DDAARN Cn1cnn(Cc2ccc(Br)c3cccnc23)c1=O ZINC000096501937 407273078 /nfs/dbraw/zinc/27/30/78/407273078.db2.gz UBGGKEDWISUSKR-UHFFFAOYSA-N 0 0 319.162 1.941 50 0 DDAARN O=C(CCC(=O)NC1CCCC1)Nc1cnc2n1CCCC2 ZINC000067473439 407275228 /nfs/dbraw/zinc/27/52/28/407275228.db2.gz IQHLAHLHOWPQFW-UHFFFAOYSA-N 0 0 304.394 1.997 50 0 DDAARN COCCn1cnnc1CNC(=O)c1cc2ccccc2n1C ZINC000067558971 407276729 /nfs/dbraw/zinc/27/67/29/407276729.db2.gz SYHSODQSYFBDBP-UHFFFAOYSA-N 0 0 313.361 1.346 50 0 DDAARN CCNS(=O)(=O)[C@H]1CCN(Cc2cccc(OCC)c2)C1 ZINC000097051558 407277070 /nfs/dbraw/zinc/27/70/70/407277070.db2.gz YEIXKANZTWAUIU-HNNXBMFYSA-N 0 0 312.435 1.599 50 0 DDAARN Cn1c(C(=O)N2CCC(O)(CO)CC2)cc2c1cccc2Cl ZINC000067641498 407278433 /nfs/dbraw/zinc/27/84/33/407278433.db2.gz PXJKVIDEVQAPQQ-UHFFFAOYSA-N 0 0 322.792 1.791 50 0 DDAARN C[C@@H]1CCC[C@H](Nc2cnn(CC(=O)N3CCOCC3)c2)[C@@H]1C ZINC000097080748 407278790 /nfs/dbraw/zinc/27/87/90/407278790.db2.gz FPYFQJXSAXBWND-FMKPAKJESA-N 0 0 320.437 1.979 50 0 DDAARN COc1ccc(C(=O)NCC2(C3CC3)CC2)cc1-n1cnnn1 ZINC000097081380 407278935 /nfs/dbraw/zinc/27/89/35/407278935.db2.gz PBVFWYIIHKSQHS-UHFFFAOYSA-N 0 0 313.361 1.591 50 0 DDAARN O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1csnn1 ZINC000097095783 407279537 /nfs/dbraw/zinc/27/95/37/407279537.db2.gz JQYUZCWNDAOOKQ-UHFFFAOYSA-N 0 0 300.347 1.296 50 0 DDAARN O=C(Nc1nc(Cc2ccccc2)cs1)[C@H]1CCC(=O)N1 ZINC000097107773 407280028 /nfs/dbraw/zinc/28/00/28/407280028.db2.gz NRWAMXBJGBMAJF-GFCCVEGCSA-N 0 0 301.371 1.951 50 0 DDAARN CCc1noc([C@@H](C)NC(=O)c2cnc(-c3cccnc3)nc2)n1 ZINC000067694529 407280251 /nfs/dbraw/zinc/28/02/51/407280251.db2.gz BKTPFUOJAKOARA-SNVBAGLBSA-N 0 0 324.344 1.975 50 0 DDAARN CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)c1nc[nH]n1 ZINC000067713036 407281187 /nfs/dbraw/zinc/28/11/87/407281187.db2.gz ZWZPIJFHVSKTNG-UHFFFAOYSA-N 0 0 304.741 1.649 50 0 DDAARN O=C(c1ccc([C@@H]2CCCO2)s1)N1CCC(O)(CO)CC1 ZINC000067740166 407282335 /nfs/dbraw/zinc/28/23/35/407282335.db2.gz IDPZRVIPXXKPKE-NSHDSACASA-N 0 0 311.403 1.559 50 0 DDAARN Cc1nc(SCCNC(=O)[C@@H]2CC(=O)c3ccccc32)n[nH]1 ZINC000067742096 407282457 /nfs/dbraw/zinc/28/24/57/407282457.db2.gz DQNIYOGZYVCIKW-GFCCVEGCSA-N 0 0 316.386 1.692 50 0 DDAARN CNC(=O)CCCN(C)S(=O)(=O)c1c(F)cccc1Cl ZINC000097147198 407282938 /nfs/dbraw/zinc/28/29/38/407282938.db2.gz 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C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2C)C(C)(C)CO1 ZINC000095987447 288224542 /nfs/dbraw/zinc/22/45/42/288224542.db2.gz YXOVYZGUGRXBSI-GFCCVEGCSA-N 0 0 301.390 1.933 50 0 DDAARN Cc1cc(C(=O)N[C@@H]2C[C@@H]3C(=O)Nc4ccccc4N3C2)no1 ZINC000230150583 280356792 /nfs/dbraw/zinc/35/67/92/280356792.db2.gz NEHRVNPXJIUVJJ-QMTHXVAHSA-N 0 0 312.329 1.312 50 0 DDAARN O=c1/c(=C/c2ccc(Br)cc2)sc2ncnn12 ZINC000012580241 280384620 /nfs/dbraw/zinc/38/46/20/280384620.db2.gz NNZFABCEKKYIQH-UITAMQMPSA-N 0 0 308.160 1.461 50 0 DDAARN CC1(C)O[C@@H]2NC(=O)NC(=O)[C@@H]2[C@@H]2c3ccccc3OC[C@@H]21 ZINC000170612836 281417454 /nfs/dbraw/zinc/41/74/54/281417454.db2.gz RABQDEDLDXSAFJ-TWJQMWNJSA-N 0 0 302.330 1.369 50 0 DDAARN Cc1nc(CN2CCC3(CC2)Nc2ccccc2NC3=O)no1 ZINC000077321149 281894978 /nfs/dbraw/zinc/89/49/78/281894978.db2.gz VWUZIYGWZJKFEV-UHFFFAOYSA-N 0 0 313.361 1.777 50 0 DDAARN CN1C(=O)CO[C@@H](C(=O)N2CCCCC2)[C@@H]1c1cccc(F)c1 ZINC000072241809 289814064 /nfs/dbraw/zinc/81/40/64/289814064.db2.gz 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DDAARN CCCn1c(=O)[nH]nc1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000060330528 184145909 /nfs/dbraw/zinc/14/59/09/184145909.db2.gz FHFNRKPMBCLADU-UHFFFAOYSA-N 0 0 315.782 1.609 50 0 DDAARN COCCNC(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1 ZINC000061717837 184185038 /nfs/dbraw/zinc/18/50/38/184185038.db2.gz HTGFLAGWRMEHKH-UHFFFAOYSA-N 0 0 302.330 1.330 50 0 DDAARN Cc1nnc2n1C[C@@H](NC(=O)c1cc(=O)[nH]c3ccccc31)CC2 ZINC000062640107 184246113 /nfs/dbraw/zinc/24/61/13/184246113.db2.gz IRKWLLDWDNWKSB-NSHDSACASA-N 0 0 323.356 1.173 50 0 DDAARN CCc1nc2cc(NC(=O)[C@@H](C)NS(C)(=O)=O)ccc2o1 ZINC000063094951 184270205 /nfs/dbraw/zinc/27/02/05/184270205.db2.gz PUXISZDJTYEYQO-MRVPVSSYSA-N 0 0 311.363 1.266 50 0 DDAARN CCOC(=O)CCN(Cc1cccnc1)C(=O)[C@H]1CCCO1 ZINC000064361137 184295308 /nfs/dbraw/zinc/29/53/08/184295308.db2.gz YPPAFQDHWHZQIA-CQSZACIVSA-N 0 0 306.362 1.542 50 0 DDAARN COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)CCOc1ccccc1C ZINC000065384878 184333417 /nfs/dbraw/zinc/33/34/17/184333417.db2.gz JICDBJMNPBHHMX-UONOGXRCSA-N 0 0 321.373 1.289 50 0 DDAARN CCNC(=O)Nc1ccc(OCC(=O)NCc2ccco2)nc1 ZINC000065245813 184318204 /nfs/dbraw/zinc/31/82/04/184318204.db2.gz UEJMNFVTXMYPJG-UHFFFAOYSA-N 0 0 318.333 1.511 50 0 DDAARN COCc1noc([C@H]2CCCCN2C(=O)c2ccncc2)n1 ZINC000065286410 184321649 /nfs/dbraw/zinc/32/16/49/184321649.db2.gz NCECVQYYDQQICC-GFCCVEGCSA-N 0 0 302.334 1.978 50 0 DDAARN O=C(NCCNc1cc(-n2cccn2)ncn1)Nc1ccccc1 ZINC000065362992 184328268 /nfs/dbraw/zinc/32/82/68/184328268.db2.gz VJVJPXCCJVEFOW-UHFFFAOYSA-N 0 0 323.360 1.896 50 0 DDAARN CCNc1ncc(C(=O)N[C@H](C)Cn2nc(C)cc2C)cn1 ZINC000065409562 184340031 /nfs/dbraw/zinc/34/00/31/184340031.db2.gz MZGZPOQSEYRQIY-LLVKDONJSA-N 0 0 302.382 1.540 50 0 DDAARN Cc1noc2ncc(C(=O)NCCCOC[C@@H]3CCCO3)cc12 ZINC000065417523 184341351 /nfs/dbraw/zinc/34/13/51/184341351.db2.gz IVIOSQCKNISYDV-ZDUSSCGKSA-N 0 0 319.361 1.847 50 0 DDAARN CNc1ccnc(NCc2cc3c(cc2OC)OCCO3)n1 ZINC000065421336 184342269 /nfs/dbraw/zinc/34/22/69/184342269.db2.gz KRTZXDGIFFFPFZ-UHFFFAOYSA-N 0 0 302.334 1.910 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257269922 /nfs/dbraw/zinc/26/99/22/257269922.db2.gz TZQOLFYNHIAEFR-UHFFFAOYSA-N 0 0 311.357 1.418 50 0 DDAARN C[S@@](=O)c1nncn1Cc1coc(-c2ccc(F)cc2)n1 ZINC000071804153 184847459 /nfs/dbraw/zinc/84/74/59/184847459.db2.gz HRYHBONGNHIYLX-NRFANRHFSA-N 0 0 306.322 1.858 50 0 DDAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(=O)[nH]c1 ZINC000071834919 184861672 /nfs/dbraw/zinc/86/16/72/184861672.db2.gz OJIXTZNMYHYBMA-GFCCVEGCSA-N 0 0 323.356 1.789 50 0 DDAARN O=C(COCC(F)(F)F)N1CCCC[C@H]1Cn1cccn1 ZINC000071865272 184875375 /nfs/dbraw/zinc/87/53/75/184875375.db2.gz SWHCEJBBYSYRTN-NSHDSACASA-N 0 0 305.300 1.843 50 0 DDAARN COC1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000069632115 184830114 /nfs/dbraw/zinc/83/01/14/184830114.db2.gz NVRDWWWLNHUSOM-UHFFFAOYSA-N 0 0 309.309 1.903 50 0 DDAARN C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)C(N)=O ZINC000069704116 184839101 /nfs/dbraw/zinc/83/91/01/184839101.db2.gz ODLUXNUCIJMSCR-JTQLQIEISA-N 0 0 301.371 1.836 50 0 DDAARN CC[C@H](C)[C@@H](NS(=O)(=O)Cc1cccc(F)c1)C(N)=O 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CO[C@]12CCN(C(=O)Cc3sc(C)nc3C)[C@H]1C[C@@H](O)CC2 ZINC000299773015 286174914 /nfs/dbraw/zinc/17/49/14/286174914.db2.gz BTMXMXVNPKWHON-DUVNUKRYSA-N 0 0 324.446 1.833 50 0 DDAARN CCOC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cn2)n1 ZINC000000124388 406623912 /nfs/dbraw/zinc/62/39/12/406623912.db2.gz WJRGFUSCOOIWPA-UHFFFAOYSA-N 0 0 301.228 1.317 50 0 DDAARN COC(=O)c1csc(S(=O)(=O)N2CCCCC2)c1OC ZINC000000169665 406625749 /nfs/dbraw/zinc/62/57/49/406625749.db2.gz OXOILZIULWKSHB-UHFFFAOYSA-N 0 0 319.404 1.718 50 0 DDAARN CC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC000000207293 406630525 /nfs/dbraw/zinc/63/05/25/406630525.db2.gz ZWAMUVJQCVKWDJ-CQSZACIVSA-N 0 0 316.357 1.749 50 0 DDAARN COC(=O)c1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1 ZINC000000253314 406633629 /nfs/dbraw/zinc/63/36/29/406633629.db2.gz OCMWCQRZAUUQDW-UHFFFAOYSA-N 0 0 323.308 1.733 50 0 DDAARN CCN1CCO[C@@H](CC(=O)Nc2cc(OC)cc(OC)c2)C1=O ZINC000000537623 406652482 /nfs/dbraw/zinc/65/24/82/406652482.db2.gz VCRQYBWUTGGPGH-AWEZNQCLSA-N 0 0 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