smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1C1CCN(Cc2cnc[nH]2)CC1 ZINC000097819684 534005685 /nfs/dbraw/zinc/00/56/85/534005685.db2.gz BFTHDWCXXBWRHA-UHFFFAOYSA-N 0 3 271.364 2.798 50 0 CFAAHN CCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000004991310 521370626 /nfs/dbraw/zinc/37/06/26/521370626.db2.gz NLFDCJIOQNLUBO-QGZVFWFLSA-N 0 3 285.387 2.948 50 0 CFAAHN CNCc1cc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000050478956 522102418 /nfs/dbraw/zinc/10/24/18/522102418.db2.gz HIVOFESABGCHHI-UHFFFAOYSA-N 0 3 255.243 2.815 50 0 CFAAHN CC(C)(C)OCCN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000096490445 526552639 /nfs/dbraw/zinc/55/26/39/526552639.db2.gz VZOBOOHWNAIGRE-CYBMUJFWSA-N 0 3 292.427 2.608 50 0 CFAAHN Cn1c(CN[C@H]2CCCSC2)nc2ccccc21 ZINC000135696324 527062439 /nfs/dbraw/zinc/06/24/39/527062439.db2.gz LRYFBVFHQBEXEP-NSHDSACASA-N 0 3 261.394 2.559 50 0 CFAAHN CCCc1nnc(SCC[C@@H]2CCCCN2C)o1 ZINC000122200803 528778431 /nfs/dbraw/zinc/77/84/31/528778431.db2.gz DMURPJSHKXBELN-NSHDSACASA-N 0 3 269.414 2.989 50 0 CFAAHN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCCN1CCCC[C@H]1C ZINC000239672508 570355170 /nfs/dbraw/zinc/35/51/70/570355170.db2.gz BTNIYVUXEIFSGC-QXSJWSMHSA-N 0 3 295.471 2.985 50 0 CFAAHN CC[C@@H](C(=O)N1CCC(CC)(CC)C1)N(C)CC ZINC000952979097 615368304 /nfs/dbraw/zinc/36/83/04/615368304.db2.gz QTPCOAYAMACMCB-ZDUSSCGKSA-N 0 3 254.418 2.755 50 0 CFAAHN CC[C@H](C(=O)NCc1cccc(Cl)c1C)N(C)CC ZINC000952965182 615607072 /nfs/dbraw/zinc/60/70/72/615607072.db2.gz FSWJUFUJNMVAMX-CQSZACIVSA-N 0 3 282.815 2.995 50 0 CFAAHN C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)C2CC2)CC1 ZINC000030283109 623570568 /nfs/dbraw/zinc/57/05/68/623570568.db2.gz VTVBIHQEZZNUEH-LBPRGKRZSA-N 0 3 290.382 2.877 50 0 CFAAHN CCc1ccc(-c2noc([C@H]3CN4CCC[C@H]4CO3)n2)cc1 ZINC000874435605 624453315 /nfs/dbraw/zinc/45/33/15/624453315.db2.gz ZBOZJJQAESKKLQ-LSDHHAIUSA-N 0 3 299.374 2.835 50 0 CFAAHN CCC1(NCc2snc(OC)c2Cl)CCOCC1 ZINC000952994833 650793057 /nfs/dbraw/zinc/79/30/57/650793057.db2.gz VJNPXKDSUAESHH-UHFFFAOYSA-N 0 3 290.816 2.854 50 0 CFAAHN CCc1cc(C)c(C(=O)NCCN2CCCC[C@H]2C)o1 ZINC000134991356 647890046 /nfs/dbraw/zinc/89/00/46/647890046.db2.gz RZYHAUZJYWCPIY-CYBMUJFWSA-N 0 3 278.396 2.755 50 0 CFAAHN CC(=O)N(C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000820563944 781870913 /nfs/dbraw/zinc/87/09/13/781870913.db2.gz IKMUXNCBKUEVNV-UHFFFAOYSA-N 0 3 272.392 2.662 50 0 CFAAHN C[C@H](Cc1ccsc1)NC(=O)CN1CCCCCC1 ZINC000821471594 781883350 /nfs/dbraw/zinc/88/33/50/781883350.db2.gz DXFRHJIYVVWRPS-CYBMUJFWSA-N 0 3 280.437 2.671 50 0 CFAAHN OCCC1(NCc2cc3cc(F)ccc3o2)CCOCC1 ZINC000096474741 230379563 /nfs/dbraw/zinc/37/95/63/230379563.db2.gz ARMXJIBGOQEBBN-UHFFFAOYSA-N 0 3 293.338 2.593 50 0 CFAAHN Cc1ccc([C@@H](O)CN[C@@H](C)c2cccc(CO)c2)cc1 ZINC000096493934 230383528 /nfs/dbraw/zinc/38/35/28/230383528.db2.gz RQJBDZCBZMYZIC-KSSFIOAISA-N 0 3 285.387 2.872 50 0 CFAAHN O[C@H](CN[C@@H]1CSCc2ccccc21)c1ccco1 ZINC000097016503 230386425 /nfs/dbraw/zinc/38/64/25/230386425.db2.gz GYACGJVDCDVJQY-ZIAGYGMSSA-N 0 3 275.373 2.891 50 0 CFAAHN COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)c(OC)c1 ZINC000004060982 230368041 /nfs/dbraw/zinc/36/80/41/230368041.db2.gz HKAXPSOXPITRAT-XIRDDKMYSA-N 0 3 291.391 2.660 50 0 CFAAHN C[C@H](C1CC1)N(C)CC(=O)N(Cc1ccsc1)C1CC1 ZINC000095954908 185041818 /nfs/dbraw/zinc/04/18/18/185041818.db2.gz INLBXTJCUGJNGJ-GFCCVEGCSA-N 0 3 292.448 2.969 50 0 CFAAHN OCC[C@H](NCc1ccc(F)cc1Cl)C1CC1 ZINC000095970877 185048980 /nfs/dbraw/zinc/04/89/80/185048980.db2.gz CIAGAFKFGNFGEL-ZDUSSCGKSA-N 0 3 257.736 2.730 50 0 CFAAHN C[C@@H](C[C@@H](O)c1cccs1)NCc1ccncc1 ZINC000095978214 185051923 /nfs/dbraw/zinc/05/19/23/185051923.db2.gz RJNLUVIFUNWHAW-WCQYABFASA-N 0 3 262.378 2.745 50 0 CFAAHN C/C(=C\c1ccccc1)CN1CCC(C(=O)N(C)C)CC1 ZINC000095982312 185054534 /nfs/dbraw/zinc/05/45/34/185054534.db2.gz CLTCGGYMYWNNIV-FYWRMAATSA-N 0 3 286.419 2.890 50 0 CFAAHN C[C@H](CN[C@@H](C)c1cc2ccccc2o1)CS(C)(=O)=O ZINC000096013959 185066401 /nfs/dbraw/zinc/06/64/01/185066401.db2.gz UKCUFTLWSGFYOA-NEPJUHHUSA-N 0 3 295.404 2.764 50 0 CFAAHN C[C@@H](NCCN1CCCC1=O)c1ccc(F)c(Cl)c1 ZINC000095984574 185055693 /nfs/dbraw/zinc/05/56/93/185055693.db2.gz DHOKKQPDWMWAQU-SNVBAGLBSA-N 0 3 284.762 2.752 50 0 CFAAHN C[C@@H](N[C@@H](C)CO)c1ccc(Br)cc1F ZINC000127767869 187331909 /nfs/dbraw/zinc/33/19/09/187331909.db2.gz TYQMRLKSWOCFHX-JGVFFNPUSA-N 0 3 276.149 2.620 50 0 CFAAHN C[C@H](NCc1ccncc1Cl)C1CCOCC1 ZINC000097033542 185155785 /nfs/dbraw/zinc/15/57/85/185155785.db2.gz VUXNYAZIRFIQOD-JTQLQIEISA-N 0 3 254.761 2.640 50 0 CFAAHN Cn1cc(CN2CCC[C@@](C)(CO)C2)c(-c2ccccc2)n1 ZINC000097033945 185155992 /nfs/dbraw/zinc/15/59/92/185155992.db2.gz SVHXAAFPDQVULE-GOSISDBHSA-N 0 3 299.418 2.682 50 0 CFAAHN C[C@@H](NC[C@]1(O)CCOC1)c1cc2cc(Cl)ccc2o1 ZINC000097034793 185157432 /nfs/dbraw/zinc/15/74/32/185157432.db2.gz WISQZGWBYAHXPH-MEBBXXQBSA-N 0 3 295.766 2.888 50 0 CFAAHN CCN1CC[C@@H](Nc2nnc(-c3ccccc3)s2)C1 ZINC000823104909 781921261 /nfs/dbraw/zinc/92/12/61/781921261.db2.gz UNJNBHBKAVQXCY-GFCCVEGCSA-N 0 3 274.393 2.711 50 0 CFAAHN COc1ccc(/C=C/CN2CCC[C@@H]2CCO)cc1 ZINC000097272411 185574793 /nfs/dbraw/zinc/57/47/93/185574793.db2.gz FLRMSHAAEXFVLP-TXTHVTMNSA-N 0 3 261.365 2.555 50 0 CFAAHN O[C@]12CCCC[C@@H]1[C@H](c1ccc(F)cc1F)NCC2 ZINC000004031340 346209730 /nfs/dbraw/zinc/20/97/30/346209730.db2.gz GOQPKPSSOSKRIJ-SNPRPXQTSA-N 0 3 267.319 2.921 50 0 CFAAHN c1ccc(-c2nnc(N3CCNCC3)c3ccccc32)cc1 ZINC000026471299 346264854 /nfs/dbraw/zinc/26/48/54/346264854.db2.gz GCMUHGJHZLTCPV-UHFFFAOYSA-N 0 3 290.370 2.706 50 0 CFAAHN Cc1cc([C@@H]2CCCN2C[C@@H]2CCCCO2)on1 ZINC000052008085 346510811 /nfs/dbraw/zinc/51/08/11/346510811.db2.gz BBVHRFHTVFUUIU-STQMWFEESA-N 0 3 250.342 2.689 50 0 CFAAHN Cc1cc([C@H]2CCCN2C[C@@H]2CCCCO2)on1 ZINC000052008087 346510957 /nfs/dbraw/zinc/51/09/57/346510957.db2.gz BBVHRFHTVFUUIU-QWHCGFSZSA-N 0 3 250.342 2.689 50 0 CFAAHN CCO[C@H]1C[C@@H](NCc2c[nH]nc2C)C12CCCC2 ZINC000085680215 179113476 /nfs/dbraw/zinc/11/34/76/179113476.db2.gz SHFPYOSGOXFGHU-KGLIPLIRSA-N 0 3 263.385 2.546 50 0 CFAAHN CC(C)C(=O)N1CC[C@@H](NCc2ccc(Cl)o2)[C@@H](C)C1 ZINC000076057456 347117107 /nfs/dbraw/zinc/11/71/07/347117107.db2.gz XFWVNZWFMLNEFS-WCQYABFASA-N 0 3 298.814 2.916 50 0 CFAAHN CCO[C@H]1C[C@@H](NCc2ccc(F)c(CO)c2)C1(C)C ZINC000097231010 347707819 /nfs/dbraw/zinc/70/78/19/347707819.db2.gz AHNPMQOLVBUVLY-CABCVRRESA-N 0 3 281.371 2.611 50 0 CFAAHN Cc1ncsc1CN1CCC[C@@H](Cc2nccn2C)C1 ZINC000097377033 347709232 /nfs/dbraw/zinc/70/92/32/347709232.db2.gz VHTDSKVIFCLAIN-ZDUSSCGKSA-N 0 3 290.436 2.640 50 0 CFAAHN CC(C)c1cccc(CN[C@@H]2CCCC[C@@H]2CO)n1 ZINC000125567444 347828431 /nfs/dbraw/zinc/82/84/31/347828431.db2.gz LSCXSACDHJCMGB-CZUORRHYSA-N 0 3 262.397 2.846 50 0 CFAAHN CSc1cccc(N(C)C(=O)[C@@H](N)C(C)(C)C)c1 ZINC000163149626 348033080 /nfs/dbraw/zinc/03/30/80/348033080.db2.gz GBOLHYYWVAEFIU-GFCCVEGCSA-N 0 3 266.410 2.745 50 0 CFAAHN COc1cccc2cc([C@H](C)NC[C@@H](C)[S@](C)=O)oc21 ZINC000170065719 348053547 /nfs/dbraw/zinc/05/35/47/348053547.db2.gz RIYGIZFKDOTZGR-NLQQUQSOSA-N 0 3 295.404 2.859 50 0 CFAAHN Cc1cc(NC2CCN(CCc3ccccc3)CC2)n(C)n1 ZINC000170596051 348055029 /nfs/dbraw/zinc/05/50/29/348055029.db2.gz SFBGXUASDUHSAT-UHFFFAOYSA-N 0 3 298.434 2.848 50 0 CFAAHN Cc1noc(C)c1CN(C)CCCc1cncc(F)c1 ZINC000170600000 348055902 /nfs/dbraw/zinc/05/59/02/348055902.db2.gz ILTYSBSPVFIXJJ-UHFFFAOYSA-N 0 3 277.343 2.890 50 0 CFAAHN COC(=O)[C@H]1CCCCC[C@H]1NCc1nc(C)cs1 ZINC000195568782 348146923 /nfs/dbraw/zinc/14/69/23/348146923.db2.gz NOPBGMLVGPHIET-NWDGAFQWSA-N 0 3 282.409 2.663 50 0 CFAAHN Cc1csc([C@H](C)N(C)C[C@H]2CC[C@H](O)CC2)n1 ZINC000244633183 348250529 /nfs/dbraw/zinc/25/05/29/348250529.db2.gz FYQJTPICKHHAMJ-AVGNSLFASA-N 0 3 268.426 2.995 50 0 CFAAHN O=C(CN1CCCCCCC1)NCCCC[C@@H]1CCCO1 ZINC000584884159 348726370 /nfs/dbraw/zinc/72/63/70/348726370.db2.gz FSJRSXFEGUUHEW-MRXNPFEDSA-N 0 3 296.455 2.718 50 0 CFAAHN Cc1csc(CN[C@H](C)CCn2ccnc2C)n1 ZINC000584888370 348728370 /nfs/dbraw/zinc/72/83/70/348728370.db2.gz FJCZXHOYXKWXRM-SNVBAGLBSA-N 0 3 264.398 2.525 50 0 CFAAHN C[C@@H](Cn1cnc2cccc(Cl)c2c1=O)N1CCCC1 ZINC000584903066 348732767 /nfs/dbraw/zinc/73/27/67/348732767.db2.gz AMTVAMYRBDWTRJ-NSHDSACASA-N 0 3 291.782 2.534 50 0 CFAAHN COCC[C@]1(CO)CCCN(Cc2ccc(F)cc2C)C1 ZINC000091474576 180165242 /nfs/dbraw/zinc/16/52/42/180165242.db2.gz YWHWUPSISKQPBQ-QGZVFWFLSA-N 0 3 295.398 2.745 50 0 CFAAHN CC[C@@]1(CO)CCCN(Cc2ncc(C)c(OC)c2C)C1 ZINC000091794459 180257744 /nfs/dbraw/zinc/25/77/44/180257744.db2.gz UEKWWJLKNFREMX-QGZVFWFLSA-N 0 3 292.423 2.692 50 0 CFAAHN CC[C@]1(CO)CCCN(Cc2ncc(C)c(OC)c2C)C1 ZINC000091794456 180257865 /nfs/dbraw/zinc/25/78/65/180257865.db2.gz UEKWWJLKNFREMX-KRWDZBQOSA-N 0 3 292.423 2.692 50 0 CFAAHN COc1c(C)cnc(CN2CC[C@](C)(O)C(C)(C)C2)c1C ZINC000091745590 180244389 /nfs/dbraw/zinc/24/43/89/180244389.db2.gz YMNACQHSHIOTON-KRWDZBQOSA-N 0 3 292.423 2.690 50 0 CFAAHN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@@H]1CCN(C)C1 ZINC000092099622 180324668 /nfs/dbraw/zinc/32/46/68/180324668.db2.gz JRLUQRPWACECHI-CQSZACIVSA-N 0 3 299.418 2.869 50 0 CFAAHN C[C@H](c1ccccc1Cl)N1CCC(C(N)=O)CC1 ZINC000008317347 290262839 /nfs/dbraw/zinc/26/28/39/290262839.db2.gz BRUQDECUANRDPQ-SNVBAGLBSA-N 0 3 266.772 2.598 50 0 CFAAHN C[C@H](N)C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000158074468 188355775 /nfs/dbraw/zinc/35/57/75/188355775.db2.gz SURDROQTWMXIDT-KBXCAEBGSA-N 0 3 294.398 2.702 50 0 CFAAHN CN(C)c1ncc(CN[C@@H]2[C@@H](c3ccccc3)C2(C)C)cn1 ZINC000623606757 353684054 /nfs/dbraw/zinc/68/40/54/353684054.db2.gz JNPXVWGAIXFHMP-HZPDHXFCSA-N 0 3 296.418 2.824 50 0 CFAAHN CCCN(CC(=O)N(C)C)CC1CCC(C)CC1 ZINC000092382525 283084739 /nfs/dbraw/zinc/08/47/39/283084739.db2.gz DIFFHAQXLMJZER-UHFFFAOYSA-N 0 3 254.418 2.613 50 0 CFAAHN CCC(=O)N1CC[C@H](NCc2ccc(C)o2)[C@H](CC)C1 ZINC000084736332 540207509 /nfs/dbraw/zinc/20/75/09/540207509.db2.gz RIZZRTHYLDTODB-HIFRSBDPSA-N 0 3 278.396 2.715 50 0 CFAAHN C[C@H](N[C@H](CO)c1ccc(Cl)c(F)c1)C1CC1 ZINC000092768881 540413280 /nfs/dbraw/zinc/41/32/80/540413280.db2.gz QXKWZWOIPKOXBL-ISVAXAHUSA-N 0 3 257.736 2.901 50 0 CFAAHN C[C@@H](c1ccncc1)N1CCC(n2ccnc2)CC1 ZINC000169984105 540550188 /nfs/dbraw/zinc/55/01/88/540550188.db2.gz OADXKOGIJVDXRV-ZDUSSCGKSA-N 0 3 256.353 2.676 50 0 CFAAHN CCN1CCCC[C@H]1C(=O)N1CCC(n2cccc2)CC1 ZINC000084789193 540685322 /nfs/dbraw/zinc/68/53/22/540685322.db2.gz NURUVKFVJUKGPW-INIZCTEOSA-N 0 3 289.423 2.526 50 0 CFAAHN CN1C[C@H](N[C@H]2CCCSc3ccccc32)CCC1=O ZINC000089374906 540717820 /nfs/dbraw/zinc/71/78/20/540717820.db2.gz QBTZOLBIOYGTKE-OCCSQVGLSA-N 0 3 290.432 2.824 50 0 CFAAHN CN(Cc1ccccc1)[C@H]1CCCc2c1cnn2C ZINC000089745440 540719442 /nfs/dbraw/zinc/71/94/42/540719442.db2.gz VNOXWLWWCXPODZ-HNNXBMFYSA-N 0 3 255.365 2.930 50 0 CFAAHN CC(C)(O)[C@@H]1CCN(Cc2ccccc2OC(F)F)C1 ZINC000670455132 541000827 /nfs/dbraw/zinc/00/08/27/541000827.db2.gz WOBUUGIYXAIVSM-GFCCVEGCSA-N 0 3 285.334 2.881 50 0 CFAAHN Cc1nncn1CCN1CCC[C@H](c2cccc(C)c2)C1 ZINC000670455271 541000837 /nfs/dbraw/zinc/00/08/37/541000837.db2.gz MGPLORUSTVTQAH-KRWDZBQOSA-N 0 3 284.407 2.775 50 0 CFAAHN COc1ccc(/C=C/CN(C)CC2(C)COC2)cc1 ZINC000670460674 541002785 /nfs/dbraw/zinc/00/27/85/541002785.db2.gz AHARODRWFUGTPG-SNAWJCMRSA-N 0 3 261.365 2.677 50 0 CFAAHN CC[C@@H](NCC1(CO)CCOCC1)c1ccccc1F ZINC000180984708 189285638 /nfs/dbraw/zinc/28/56/38/189285638.db2.gz NGGSMGMMGQCNPX-OAHLLOKOSA-N 0 3 281.371 2.656 50 0 CFAAHN CCOC(=O)C[C@H](N)c1ccc(Cl)c(Cl)c1 ZINC000000127722 371537051 /nfs/dbraw/zinc/53/70/51/371537051.db2.gz AHLAIISGKFGMSS-JTQLQIEISA-N 0 3 262.136 2.946 50 0 CFAAHN COc1ccc(C(=O)OCCN(C)Cc2ccccc2)cc1 ZINC000000174323 371549846 /nfs/dbraw/zinc/54/98/46/371549846.db2.gz WPYZGURVLDJNNY-UHFFFAOYSA-N 0 3 299.370 2.984 50 0 CFAAHN C[C@H](CN1CCCC1)OC(=O)c1ccccc1Cl ZINC000000210710 371559369 /nfs/dbraw/zinc/55/93/69/371559369.db2.gz BJRDJWSBYLPXMR-LLVKDONJSA-N 0 3 267.756 2.981 50 0 CFAAHN CCOC(=O)[C@H]1CCCN(Cc2ccccc2C)C1 ZINC000000236551 371565184 /nfs/dbraw/zinc/56/51/84/371565184.db2.gz IJNGKRXGASMSBI-HNNXBMFYSA-N 0 3 261.365 2.770 50 0 CFAAHN O=C(c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000000283527 371578523 /nfs/dbraw/zinc/57/85/23/371578523.db2.gz PLSWPJKHMHFEIU-UHFFFAOYSA-N 0 3 290.382 2.916 50 0 CFAAHN C[C@H](CN1CCCCC1)OC(=O)c1ccccc1F ZINC000000375614 371598757 /nfs/dbraw/zinc/59/87/57/371598757.db2.gz NMMKMJYWBKFVKJ-GFCCVEGCSA-N 0 3 265.328 2.857 50 0 CFAAHN Cc1ccc(OCC(=O)O[C@@H](C)CN2CCCCC2)cc1 ZINC000000787291 371649093 /nfs/dbraw/zinc/64/90/93/371649093.db2.gz TVQLHPKWVXDDCN-HNNXBMFYSA-N 0 3 291.391 2.791 50 0 CFAAHN CC(C)N(C)CCOC(=O)c1cc2ccccc2o1 ZINC000001821534 371708231 /nfs/dbraw/zinc/70/82/31/371708231.db2.gz XOHBSRKZCNUMTH-UHFFFAOYSA-N 0 3 261.321 2.930 50 0 CFAAHN CSCC[C@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000002169530 371719051 /nfs/dbraw/zinc/71/90/51/371719051.db2.gz CHWHUPKCZKLQIM-AWEZNQCLSA-N 0 3 274.389 2.859 50 0 in-vitro CFAAHN CCOC(=O)CCC(=O)c1ccccc1CN1CCCC1 ZINC000002515591 371731333 /nfs/dbraw/zinc/73/13/33/371731333.db2.gz RWDMKNZAFAVZAT-UHFFFAOYSA-N 0 3 289.375 2.808 50 0 CFAAHN Cc1c(Cl)cccc1NC(=O)CNCC(C)C ZINC000001672718 371694869 /nfs/dbraw/zinc/69/48/69/371694869.db2.gz GFBCTVSGPJZCAE-UHFFFAOYSA-N 0 3 254.761 2.833 50 0 CFAAHN Cc1ccc(OCCOCCN(C)C)c(Cl)c1 ZINC000002822176 371757741 /nfs/dbraw/zinc/75/77/41/371757741.db2.gz GPIQFBCNVRJQTB-UHFFFAOYSA-N 0 3 257.761 2.605 50 0 CFAAHN CN1CCC(OC(=O)c2ccc(Br)cc2)CC1 ZINC000002836790 371759234 /nfs/dbraw/zinc/75/92/34/371759234.db2.gz ISMYNYDNYPBBDJ-UHFFFAOYSA-N 0 3 298.180 2.700 50 0 CFAAHN COCCNCCOc1ccc(C(C)(C)C)cc1 ZINC000002933249 371765340 /nfs/dbraw/zinc/76/53/40/371765340.db2.gz OESOTKQZLLLDEM-UHFFFAOYSA-N 0 3 251.370 2.599 50 0 CFAAHN c1ccc(CNCCOCCOc2ccccc2)cc1 ZINC000003002045 371768342 /nfs/dbraw/zinc/76/83/42/371768342.db2.gz ZRLMXVZVNJDFQC-UHFFFAOYSA-N 0 3 271.360 2.872 50 0 CFAAHN COc1ccc2cc(C(=O)CCN(C)C)ccc2c1 ZINC000003846813 371821055 /nfs/dbraw/zinc/82/10/55/371821055.db2.gz 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UCBLGCWQRIKADO-MRXNPFEDSA-N 0 3 254.333 2.715 50 0 CFAAHN Cc1ccc(C(=O)C2CCN(CC(C)(C)O)CC2)c(C)c1 ZINC000040556376 174330783 /nfs/dbraw/zinc/33/07/83/174330783.db2.gz CCNVXFXORUGWSF-UHFFFAOYSA-N 0 3 289.419 2.969 50 0 CFAAHN CCn1nc(CNCC(C)C)c(-c2ccccc2)n1 ZINC000045944837 175387494 /nfs/dbraw/zinc/38/74/94/175387494.db2.gz APQSWWMUTZNUNJ-UHFFFAOYSA-N 0 3 258.369 2.711 50 0 CFAAHN CCCN(CCC)CC(=O)N[C@@H](C)c1ccco1 ZINC000069439257 175829631 /nfs/dbraw/zinc/82/96/31/175829631.db2.gz ZFUDIHUMQWGXRU-LBPRGKRZSA-N 0 3 252.358 2.579 50 0 CFAAHN Cc1cc(C2CCC2)nc(NCCN2CCCC2)n1 ZINC000071404182 176155458 /nfs/dbraw/zinc/15/54/58/176155458.db2.gz XAGOSLUHPLGINO-UHFFFAOYSA-N 0 3 260.385 2.560 50 0 CFAAHN CC[C@H]1CN(CCCF)CCC(=O)N1Cc1ccccc1 ZINC000071422181 176160777 /nfs/dbraw/zinc/16/07/77/176160777.db2.gz YSAZQINNDOBOOA-INIZCTEOSA-N 0 3 292.398 2.859 50 0 CFAAHN CC[C@@H]1CN(CCCF)CCC(=O)N1Cc1ccccc1 ZINC000071422180 176160863 /nfs/dbraw/zinc/16/08/63/176160863.db2.gz YSAZQINNDOBOOA-MRXNPFEDSA-N 0 3 292.398 2.859 50 0 CFAAHN CCCc1nnc2sc([C@H]3CCCN(C(C)C)C3)nn12 ZINC000071681679 176245618 /nfs/dbraw/zinc/24/56/18/176245618.db2.gz KFHXHBJHRPBFOK-NSHDSACASA-N 0 3 293.440 2.726 50 0 CFAAHN c1cnn(CCNCc2cnc(-c3ccccc3)s2)c1 ZINC000071793552 176264019 /nfs/dbraw/zinc/26/40/19/176264019.db2.gz ULSQSOVRKRFXAU-UHFFFAOYSA-N 0 3 284.388 2.796 50 0 CFAAHN Cc1n[nH]c(C)c1CNC[C@H](C)N1CCc2ccccc21 ZINC000071819541 176270445 /nfs/dbraw/zinc/27/04/45/176270445.db2.gz GWLIICZSPQNKON-LBPRGKRZSA-N 0 3 284.407 2.567 50 0 CFAAHN Cc1cc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)nc(N)n1 ZINC000071828007 176272472 /nfs/dbraw/zinc/27/24/72/176272472.db2.gz RXQUMCNZRROBRU-GOEBONIOSA-N 0 3 298.390 2.947 50 0 CFAAHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc2ccccc2o1 ZINC000071834740 176273647 /nfs/dbraw/zinc/27/36/47/176273647.db2.gz VACOMLXZXRQBSF-AWEZNQCLSA-N 0 3 286.375 2.989 50 0 CFAAHN NC(=O)CCN1CCc2sccc2[C@H]1c1ccccc1 ZINC000071860666 176280100 /nfs/dbraw/zinc/28/01/00/176280100.db2.gz QYHPFGCLFCSRRE-MRXNPFEDSA-N 0 3 286.400 2.571 50 0 CFAAHN C[C@H]1CCCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000071913956 176298789 /nfs/dbraw/zinc/29/87/89/176298789.db2.gz XQDKPUIIDNGSCQ-DZGCQCFKSA-N 0 3 274.364 2.744 50 0 CFAAHN OCCn1ncc2c1CCC[C@@H]2NC/C=C/c1ccccc1 ZINC000071924556 176301616 /nfs/dbraw/zinc/30/16/16/176301616.db2.gz PXFUOMIPKYCFBZ-JZLODUJNSA-N 0 3 297.402 2.556 50 0 CFAAHN CNc1nc(CN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cs1 ZINC000072133231 176321958 /nfs/dbraw/zinc/32/19/58/176321958.db2.gz GODJFCHMDPFNMV-NIFPGPBJSA-N 0 3 263.410 2.663 50 0 CFAAHN CCN(CC)CC(=O)N1CCCC[C@H]1c1nc(C)cs1 ZINC000072273876 176355574 /nfs/dbraw/zinc/35/55/74/176355574.db2.gz PHNDERYAPPLTHI-ZDUSSCGKSA-N 0 3 295.452 2.847 50 0 CFAAHN COc1cc(CN2CCC[C@@H](CO)C2)ccc1SC ZINC000072292578 176362480 /nfs/dbraw/zinc/36/24/80/176362480.db2.gz VLKCJYCPBONUFI-CYBMUJFWSA-N 0 3 281.421 2.621 50 0 CFAAHN CC(C)=CCN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000076396630 177015190 /nfs/dbraw/zinc/01/51/90/177015190.db2.gz YOZXEARZQWDTIV-CQSZACIVSA-N 0 3 270.380 2.875 50 0 CFAAHN Cc1ccc([C@H](CNC(=O)C2CC=CC2)N(C)C)cc1 ZINC000076964273 177135809 /nfs/dbraw/zinc/13/58/09/177135809.db2.gz JAWXYBMXMIOXLN-INIZCTEOSA-N 0 3 272.392 2.680 50 0 CFAAHN c1cnn(CCC2CCN(Cc3ccncc3)CC2)c1 ZINC000077485636 177273877 /nfs/dbraw/zinc/27/38/77/177273877.db2.gz RGPPXTFLRLVHFA-UHFFFAOYSA-N 0 3 270.380 2.580 50 0 CFAAHN Cc1cc(CNCc2cccc(CO)c2)ccc1F ZINC000078553952 177353977 /nfs/dbraw/zinc/35/39/77/177353977.db2.gz TUYYQRPXEDXPDX-UHFFFAOYSA-N 0 3 259.324 2.916 50 0 CFAAHN CC[C@H](Cc1ccccc1)N(C)Cc1cc(=O)c(O)co1 ZINC000078876608 177399632 /nfs/dbraw/zinc/39/96/32/177399632.db2.gz NIEGGARWBGFQNQ-CQSZACIVSA-N 0 3 287.359 2.799 50 0 CFAAHN Cc1cccc([C@H]2NC(=N)Nc3nc4ccccc4n32)c1 ZINC000004741632 292583135 /nfs/dbraw/zinc/58/31/35/292583135.db2.gz WFAMZPJWXIREJC-AWEZNQCLSA-N 0 3 277.331 2.632 50 0 CFAAHN C[C@@H]1C[C@@H](C)CN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000037203324 260158686 /nfs/dbraw/zinc/15/86/86/260158686.db2.gz LSWMVNUKILGFOG-CPUCHLNUSA-N 0 3 286.419 2.984 50 0 CFAAHN Cc1nc(COc2ccc(CNC[C@H](C)O)cc2)cs1 ZINC000066067909 260244708 /nfs/dbraw/zinc/24/47/08/260244708.db2.gz FJZRGJLQWJJXDZ-NSHDSACASA-N 0 3 292.404 2.501 50 0 CFAAHN C[C@@H]1CCN(Cc2cnc3ccccn23)C[C@@H]1n1ccnc1 ZINC000095981732 265321504 /nfs/dbraw/zinc/32/15/04/265321504.db2.gz KXUQRNXNKQXREX-ZBFHGGJFSA-N 0 3 295.390 2.614 50 0 CFAAHN CC(C)(CN[C@@H]1CCSc2ccc(Cl)cc21)C(N)=O ZINC000183639347 273505105 /nfs/dbraw/zinc/50/51/05/273505105.db2.gz UBCMKQOZYVHLBB-LLVKDONJSA-N 0 3 298.839 2.978 50 0 CFAAHN C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000032611228 274289051 /nfs/dbraw/zinc/28/90/51/274289051.db2.gz IBIODXRBIPGNBP-WBVHZDCISA-N 0 3 286.419 2.910 50 0 CFAAHN NCc1cc2cc(I)ccc2s1 ZINC000000338886 274953638 /nfs/dbraw/zinc/95/36/38/274953638.db2.gz YDBJBHITIGZZLG-UHFFFAOYSA-N 0 3 289.141 2.965 50 0 CFAAHN O[C@@H](CN1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000088432962 275050771 /nfs/dbraw/zinc/05/07/71/275050771.db2.gz SBUDTEDYHMIXSQ-ZDUSSCGKSA-N 0 3 273.298 2.994 50 0 CFAAHN c1ccc2c(c1)CCC[C@@]21C[C@H]1CNCc1cncnc1 ZINC000151405047 275069467 /nfs/dbraw/zinc/06/94/67/275069467.db2.gz KALNASUXUJYUKF-WMZOPIPTSA-N 0 3 279.387 2.860 50 0 CFAAHN CCCN(Cc1ccccc1)C(=O)/C=C\CN(C)C ZINC000104120053 276002516 /nfs/dbraw/zinc/00/25/16/276002516.db2.gz JBMODBRVZBWYHX-FLIBITNWSA-N 0 3 260.381 2.543 50 0 CFAAHN C[C@H]1CCC[C@H](C)N1CC(=O)NC1CCCCC1 ZINC000006008030 278351302 /nfs/dbraw/zinc/35/13/02/278351302.db2.gz INQCLXMFWNEMJW-STQMWFEESA-N 0 3 252.402 2.698 50 0 CFAAHN CC[C@H]1CCc2nc(NC(=O)C3(N)CCCC3)sc2C1 ZINC000095956859 288248767 /nfs/dbraw/zinc/24/87/67/288248767.db2.gz MNHIXCCDFPHPRH-JTQLQIEISA-N 0 3 293.436 2.868 50 0 CFAAHN CCC(=O)N1CC[C@@H](N[C@@H]2CCCOc3ccccc32)C1 ZINC000095423897 280578718 /nfs/dbraw/zinc/57/87/18/280578718.db2.gz UYQRWCDWGNMKLE-UKRRQHHQSA-N 0 3 288.391 2.501 50 0 CFAAHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccc(Cl)nc1 ZINC000239761757 288298901 /nfs/dbraw/zinc/29/89/01/288298901.db2.gz CKKCVODFYGOXNA-OCCSQVGLSA-N 0 3 279.815 2.794 50 0 CFAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C(C)C ZINC000008553271 281128390 /nfs/dbraw/zinc/12/83/90/281128390.db2.gz LSKOBBMGJQZPPY-GDBMZVCRSA-N 0 3 272.392 2.785 50 0 CFAAHN Cc1cn2c(n1)[C@H](CNCc1ccc(C)o1)CCC2 ZINC000089656087 281550328 /nfs/dbraw/zinc/55/03/28/281550328.db2.gz VUVXLIPXECFFFR-ZDUSSCGKSA-N 0 3 259.353 2.760 50 0 CFAAHN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@](C)(N)C2CC2)C1 ZINC000237579979 292663032 /nfs/dbraw/zinc/66/30/32/292663032.db2.gz NOQLSNKRQQMYNW-LBTNJELSSA-N 0 3 286.419 2.827 50 0 CFAAHN NC(=O)CN[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000095985786 295048538 /nfs/dbraw/zinc/04/85/38/295048538.db2.gz BHSYSACRQBQBIW-CQSZACIVSA-N 0 3 266.772 2.646 50 0 CFAAHN Cc1n[nH]c(C)c1CNC[C@H](c1ccc(C)cc1)N(C)C ZINC000071837265 302480588 /nfs/dbraw/zinc/48/05/88/302480588.db2.gz LHQWWJVTAPHMMH-QGZVFWFLSA-N 0 3 286.423 2.727 50 0 CFAAHN Cc1c(C(=O)NC[C@H](c2ccccc2C)N(C)C)ccn1C ZINC000534656979 328340642 /nfs/dbraw/zinc/34/06/42/328340642.db2.gz PZYPOBCFIFBZGV-QGZVFWFLSA-N 0 3 299.418 2.675 50 0 CFAAHN CC[C@H](O)CN1CCSC[C@@H]1c1ccccc1 ZINC000071909226 327106386 /nfs/dbraw/zinc/10/63/86/327106386.db2.gz AZAUWAXXWRYFKV-UONOGXRCSA-N 0 3 251.395 2.547 50 0 CFAAHN COc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1CO)CCCO2 ZINC000089466890 327170313 /nfs/dbraw/zinc/17/03/13/327170313.db2.gz RKVQQUXVHMWKSB-DAXOMENPSA-N 0 3 291.391 2.660 50 0 CFAAHN C[C@H](N)C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000155259023 330669208 /nfs/dbraw/zinc/66/92/08/330669208.db2.gz WECCAEPFCSFJKU-JTQLQIEISA-N 0 3 274.295 2.904 50 0 CFAAHN Cc1ccc(CNCC(C)(C)O)c(Br)c1 ZINC000096483928 534056147 /nfs/dbraw/zinc/05/61/47/534056147.db2.gz FYPPRWQUXGOUDJ-UHFFFAOYSA-N 0 3 272.186 2.618 50 0 CFAAHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000096447531 534199275 /nfs/dbraw/zinc/19/92/75/534199275.db2.gz LGTBDOURKJSQFQ-PBHICJAKSA-N 0 3 284.359 2.715 50 0 CFAAHN COC[C@H]1CCN(Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215101101 522843868 /nfs/dbraw/zinc/84/38/68/522843868.db2.gz DAWIFVYPMCZAIC-AWEZNQCLSA-N 0 3 289.423 2.993 50 0 CFAAHN C[C@H](NCCOC[C@@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000096477744 525358270 /nfs/dbraw/zinc/35/82/70/525358270.db2.gz YAZLRYMONBUHKV-NHYWBVRUSA-N 0 3 285.334 2.811 50 0 CFAAHN CS[C@@H](C)CCN1CCC(O)(c2cccnc2)CC1 ZINC000216069169 570304874 /nfs/dbraw/zinc/30/48/74/570304874.db2.gz NTOMGOSYHQDJOM-ZDUSSCGKSA-N 0 3 280.437 2.507 50 0 CFAAHN O=C(CCN1CC[C@@](O)(c2ccccc2)C1)c1ccccc1 ZINC000109543923 620120361 /nfs/dbraw/zinc/12/03/61/620120361.db2.gz VQVCZLZHAITTDM-IBGZPJMESA-N 0 3 295.382 2.853 50 0 CFAAHN CCc1ccc(-c2noc([C@H]3CN4CCC[C@@H]4CO3)n2)cc1 ZINC000874435604 624453097 /nfs/dbraw/zinc/45/30/97/624453097.db2.gz ZBOZJJQAESKKLQ-HUUCEWRRSA-N 0 3 299.374 2.835 50 0 CFAAHN Cc1ncsc1CN[C@@H](C)C1(Br)CC1 ZINC000863984330 637832843 /nfs/dbraw/zinc/83/28/43/637832843.db2.gz SUYQFWGTYFKURZ-QMMMGPOBSA-N 0 3 275.215 2.857 50 0 CFAAHN Cc1ncsc1CN[C@H](C)C1(Br)CC1 ZINC000863984329 637832864 /nfs/dbraw/zinc/83/28/64/637832864.db2.gz SUYQFWGTYFKURZ-MRVPVSSYSA-N 0 3 275.215 2.857 50 0 CFAAHN N[C@H](C(=O)Nc1cccc(-n2cccn2)c1)C1CCCCC1 ZINC000952986742 650791900 /nfs/dbraw/zinc/79/19/00/650791900.db2.gz KBJHWVOMOLEECN-INIZCTEOSA-N 0 3 298.390 2.718 50 0 CFAAHN O=C1CC[C@@]2(CCN(Cc3ccc(C(F)(F)F)cc3)C2)N1 ZINC000675016255 775983253 /nfs/dbraw/zinc/98/32/53/775983253.db2.gz BOEOVPGRPVBBET-AWEZNQCLSA-N 0 3 298.308 2.560 50 0 CFAAHN CCc1nnc(CN[C@@H](C)C(C)(C)c2ccccc2)n1C ZINC000096491389 230382840 /nfs/dbraw/zinc/38/28/40/230382840.db2.gz QOSDEWGUOLAYMJ-ZDUSSCGKSA-N 0 3 286.423 2.833 50 0 CFAAHN Cc1nc2ccccc2nc1CN(C)CCCn1cccn1 ZINC000215219619 282080996 /nfs/dbraw/zinc/08/09/96/282080996.db2.gz RETWCDKKBDDMGJ-UHFFFAOYSA-N 0 3 295.390 2.657 50 0 CFAAHN COc1ccc(OC)c([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)c1 ZINC000004060857 230368068 /nfs/dbraw/zinc/36/80/68/230368068.db2.gz YDBPAMFTYNDWQO-XIRDDKMYSA-N 0 3 291.391 2.660 50 0 CFAAHN c1cnn(CCN2CCC(c3ccsc3)CC2)c1 ZINC000186912856 230395752 /nfs/dbraw/zinc/39/57/52/230395752.db2.gz ZHJAZEKIMXHFLL-UHFFFAOYSA-N 0 3 261.394 2.824 50 0 CFAAHN CC[C@@H](NC[C@@](C)(O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000095968404 185046530 /nfs/dbraw/zinc/04/65/30/185046530.db2.gz OUGSISYMGVTNKZ-HZPDHXFCSA-N 0 3 291.370 2.508 50 0 CFAAHN CCc1ccc([C@H](C)NCCOc2cccnc2)o1 ZINC000095968032 185047073 /nfs/dbraw/zinc/04/70/73/185047073.db2.gz RSRWHNBXFYSZLK-LBPRGKRZSA-N 0 3 260.337 2.967 50 0 CFAAHN C[C@H](NC[C@@]1(O)CCSC1)c1cc2ccccc2o1 ZINC000095968893 185047901 /nfs/dbraw/zinc/04/79/01/185047901.db2.gz PICXNDSKXGUIJX-NHYWBVRUSA-N 0 3 277.389 2.951 50 0 CFAAHN C[C@H](CC(N)=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000095969247 185047904 /nfs/dbraw/zinc/04/79/04/185047904.db2.gz GPABZFZZBZITLF-SJKOYZFVSA-N 0 3 286.350 2.769 50 0 CFAAHN C[C@@H](N[C@@H](C)CO)c1ccccc1OC(F)(F)F ZINC000095968673 185048151 /nfs/dbraw/zinc/04/81/51/185048151.db2.gz ZYQHZJVPPXAIAO-DTWKUNHWSA-N 0 3 263.259 2.617 50 0 CFAAHN CN(Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCSC1 ZINC000095976608 185050934 /nfs/dbraw/zinc/05/09/34/185050934.db2.gz TXMRBVUHIMTHTQ-MRXNPFEDSA-N 0 3 287.432 2.869 50 0 CFAAHN COC(=O)c1ccc([C@H](C)N[C@H](C)C2CCOCC2)o1 ZINC000095985382 185054842 /nfs/dbraw/zinc/05/48/42/185054842.db2.gz AUKDNUBRQCZHTD-MNOVXSKESA-N 0 3 281.352 2.532 50 0 CFAAHN Cc1ccccc1[C@@H](C)NCC(=O)N(C)CC1CC1 ZINC000095984218 185055186 /nfs/dbraw/zinc/05/51/86/185055186.db2.gz WLHVGLHFUUJLPU-CYBMUJFWSA-N 0 3 260.381 2.514 50 0 CFAAHN CCS[C@@H]1CC[C@H](NCc2c(C)nn(C)c2OC)C1 ZINC000095990133 185057806 /nfs/dbraw/zinc/05/78/06/185057806.db2.gz DMDGKZCJBJDDBU-NWDGAFQWSA-N 0 3 283.441 2.501 50 0 CFAAHN CCOc1ccccc1CN[C@H]1CCN(c2ccccn2)C1 ZINC000095990172 185057863 /nfs/dbraw/zinc/05/78/63/185057863.db2.gz JHJMSUWUQWWBIA-INIZCTEOSA-N 0 3 297.402 2.849 50 0 CFAAHN CCS[C@H]1CC[C@H](NCc2c(C)nn(C)c2OC)C1 ZINC000095990134 185057901 /nfs/dbraw/zinc/05/79/01/185057901.db2.gz DMDGKZCJBJDDBU-RYUDHWBXSA-N 0 3 283.441 2.501 50 0 CFAAHN CC[C@@H](C(=O)NCc1c(F)ccc(C)c1F)N(C)CC ZINC000823061355 781919122 /nfs/dbraw/zinc/91/91/22/781919122.db2.gz RPQXWTWEEBTPKO-ZDUSSCGKSA-N 0 3 284.350 2.620 50 0 CFAAHN COC[C@@H](NC[C@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000097033300 185155803 /nfs/dbraw/zinc/15/58/03/185155803.db2.gz DTKBIWAEPPDIGI-IAQYHMDHSA-N 0 3 285.334 2.669 50 0 CFAAHN CCc1sc([C@@H](C)N[C@@H](C)CS(C)(=O)=O)cc1C ZINC000097033442 185156195 /nfs/dbraw/zinc/15/61/95/185156195.db2.gz VHZVODPBWVGMGD-WDEREUQCSA-N 0 3 289.466 2.703 50 0 CFAAHN Cc1cnn(CCNCc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000069951437 346903633 /nfs/dbraw/zinc/90/36/33/346903633.db2.gz KMKDXDLUGBCBAA-UHFFFAOYSA-N 0 3 299.353 2.511 50 0 CFAAHN CN1CCC(NC(=S)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000070006773 346905823 /nfs/dbraw/zinc/90/58/23/346905823.db2.gz GUSQJPXVUGACDQ-OAHLLOKOSA-N 0 3 295.496 2.610 50 0 CFAAHN CCOC(=O)CCN1CCCC[C@H]1c1cccnc1 ZINC000005808694 346212552 /nfs/dbraw/zinc/21/25/52/346212552.db2.gz DJXZYWZEALQOSK-AWEZNQCLSA-N 0 3 262.353 2.562 50 0 CFAAHN CNC1(c2nnnn2-c2cccc(Cl)c2)CCCCC1 ZINC000034145120 346314836 /nfs/dbraw/zinc/31/48/36/346314836.db2.gz ZPSGLKHRWPSKHP-UHFFFAOYSA-N 0 3 291.786 2.695 50 0 CFAAHN C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(Cl)o1 ZINC000076057856 347117500 /nfs/dbraw/zinc/11/75/00/347117500.db2.gz BTYKJYZJTHYAEC-MFKMUULPSA-N 0 3 296.798 2.670 50 0 CFAAHN CN(C)c1cccc(CNCc2cccc(O)c2)c1 ZINC000078757952 347274321 /nfs/dbraw/zinc/27/43/21/347274321.db2.gz YSLXQTFZDCVWSI-UHFFFAOYSA-N 0 3 256.349 2.748 50 0 CFAAHN COC(C)(C)CNCc1cnc(-c2cccnc2)s1 ZINC000080337493 347354654 /nfs/dbraw/zinc/35/46/54/347354654.db2.gz RRFQUSKBXGXCPK-UHFFFAOYSA-N 0 3 277.393 2.720 50 0 CFAAHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NC1CCCCC1 ZINC000095467198 347698474 /nfs/dbraw/zinc/69/84/74/347698474.db2.gz IOTNDURBTDLMDV-CYBMUJFWSA-N 0 3 281.444 2.691 50 0 CFAAHN CC(C)C(=O)O[C@]1(c2ccccc2)CCN(C)[C@H]1C ZINC000095882820 347699061 /nfs/dbraw/zinc/69/90/61/347699061.db2.gz PNEKCZNQOVAYFM-XJKSGUPXSA-N 0 3 261.365 2.805 50 0 CFAAHN CC[C@@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC000113648420 347768214 /nfs/dbraw/zinc/76/82/14/347768214.db2.gz BNMGOWXQUZHWIO-CYBMUJFWSA-N 0 3 297.333 2.935 50 0 CFAAHN C[C@@H](CNC(=O)[C@H](C1CC1)N1CCCC1)c1cccs1 ZINC000127258845 347840386 /nfs/dbraw/zinc/84/03/86/347840386.db2.gz BREWKXKEGKLCQM-WFASDCNBSA-N 0 3 292.448 2.842 50 0 CFAAHN c1cc2c(o1)CCC[C@@H]2NCCOc1cccnc1 ZINC000170088898 348053560 /nfs/dbraw/zinc/05/35/60/348053560.db2.gz DYPPTAZHRIENKY-AWEZNQCLSA-N 0 3 258.321 2.721 50 0 CFAAHN CC[C@H](C)CN1CCN(c2nncc3ccccc32)CC1 ZINC000170591163 348054176 /nfs/dbraw/zinc/05/41/76/348054176.db2.gz XNBILAMRQAOKSV-AWEZNQCLSA-N 0 3 284.407 2.798 50 0 CFAAHN CSc1ccccc1C[C@@H](C)NCc1ccnn1C ZINC000195558472 348146100 /nfs/dbraw/zinc/14/61/00/348146100.db2.gz JIRMANJQANMJNJ-GFCCVEGCSA-N 0 3 275.421 2.863 50 0 CFAAHN Cc1cc(CN[C@H](C)CC(=O)N(C)C)ccc1Cl ZINC000195561804 348146781 /nfs/dbraw/zinc/14/67/81/348146781.db2.gz IADXSBVVVMTYKH-LLVKDONJSA-N 0 3 268.788 2.605 50 0 CFAAHN CCCn1ncc(CN2CCN[C@H](c3ccccc3)C2)c1C ZINC000230509651 348206072 /nfs/dbraw/zinc/20/60/72/348206072.db2.gz GGFKDCSQSHTTLW-SFHVURJKSA-N 0 3 298.434 2.748 50 0 CFAAHN CC[C@@H](c1n[nH]c(CCC(C)C)n1)N1CCCC1 ZINC000584890530 348729168 /nfs/dbraw/zinc/72/91/68/348729168.db2.gz BVIYHENYNJYBDK-LBPRGKRZSA-N 0 3 250.390 2.940 50 0 CFAAHN CC[C@H](c1n[nH]c(CCC(C)C)n1)N1CCCC1 ZINC000584890529 348729251 /nfs/dbraw/zinc/72/92/51/348729251.db2.gz BVIYHENYNJYBDK-GFCCVEGCSA-N 0 3 250.390 2.940 50 0 CFAAHN Fc1cccc(-n2cc(CN[C@H]3CCSC3)cn2)c1 ZINC000584893324 348730466 /nfs/dbraw/zinc/73/04/66/348730466.db2.gz QQNWDQODIRNTAJ-ZDUSSCGKSA-N 0 3 277.368 2.607 50 0 CFAAHN OC1(c2ccc(Cl)cc2)CCN([C@H]2CCCOC2)CC1 ZINC000584901858 348732881 /nfs/dbraw/zinc/73/28/81/348732881.db2.gz YWHQSNIXAKAGQH-HNNXBMFYSA-N 0 3 295.810 2.802 50 0 CFAAHN Cc1cc(Cl)cc2c(=O)n(CC(C)(C)N(C)C)cnc12 ZINC000584901181 348733087 /nfs/dbraw/zinc/73/30/87/348733087.db2.gz HZQMZDPGGPQGEU-UHFFFAOYSA-N 0 3 293.798 2.699 50 0 CFAAHN Cc1cccc(C)c1CNC[C@H](O)c1ccncc1 ZINC000091064303 180092700 /nfs/dbraw/zinc/09/27/00/180092700.db2.gz QXFSQSCICUBAOR-INIZCTEOSA-N 0 3 256.349 2.522 50 0 CFAAHN CCc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)cc1 ZINC000091594719 180201567 /nfs/dbraw/zinc/20/15/67/180201567.db2.gz NBRYNAODMODKPH-ZWKOTPCHSA-N 0 3 286.419 2.692 50 0 CFAAHN CC1(C)CN(CCOCc2ccccc2)CC[C@]1(C)O ZINC000091895056 180282001 /nfs/dbraw/zinc/28/20/01/180282001.db2.gz KRUBAVKSPWODFQ-KRWDZBQOSA-N 0 3 277.408 2.686 50 0 CFAAHN COc1ccc(CNC[C@@H]2CCCO2)c(Cl)c1OC ZINC000106366473 186110932 /nfs/dbraw/zinc/11/09/32/186110932.db2.gz XBMJUCVQGPDEGO-NSHDSACASA-N 0 3 285.771 2.626 50 0 CFAAHN CN(Cc1cccc(-n2cccn2)c1)C[C@@H]1CCCCO1 ZINC000092427377 180383376 /nfs/dbraw/zinc/38/33/76/180383376.db2.gz VMMYSXSKVOPLCK-KRWDZBQOSA-N 0 3 285.391 2.873 50 0 CFAAHN CCOC[C@H](O)CN(CC)[C@H](C)c1ccc(F)cc1 ZINC000106853134 186143184 /nfs/dbraw/zinc/14/31/84/186143184.db2.gz JHNOOEYTEMPGBU-IUODEOHRSA-N 0 3 269.360 2.606 50 0 CFAAHN C[C@@H]1CCC[C@H](CCN2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000107361353 186172017 /nfs/dbraw/zinc/17/20/17/186172017.db2.gz VZXLVQYOJMTAHK-KZNAEPCWSA-N 0 3 294.483 2.857 50 0 CFAAHN COc1ccc(CN[C@@H]2CCCC[C@H]2O)c(Cl)c1OC ZINC000110823034 186327895 /nfs/dbraw/zinc/32/78/95/186327895.db2.gz OOTZMUBUJFVREM-VXGBXAGGSA-N 0 3 299.798 2.750 50 0 CFAAHN C=CCOc1cccc(NC(=O)NNc2ccncc2)c1 ZINC000096004121 539994782 /nfs/dbraw/zinc/99/47/82/539994782.db2.gz ZCZOFQXNVOCLDE-UHFFFAOYSA-N 0 3 284.319 2.795 50 0 CFAAHN C[C@@H](N)C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000158074635 188355271 /nfs/dbraw/zinc/35/52/71/188355271.db2.gz SURDROQTWMXIDT-RDTXWAMCSA-N 0 3 294.398 2.702 50 0 CFAAHN Cc1ccoc1CN[C@@H]1CCN(C(=O)C(C)C)C[C@@H]1C ZINC000084251186 540197932 /nfs/dbraw/zinc/19/79/32/540197932.db2.gz GVYFMJCPTYZEBP-UONOGXRCSA-N 0 3 278.396 2.571 50 0 CFAAHN COC1(CN[C@@H](C)c2ccsc2)CCOCC1 ZINC000090653217 540373285 /nfs/dbraw/zinc/37/32/85/540373285.db2.gz ALMADHRDWGBUOZ-NSHDSACASA-N 0 3 255.383 2.594 50 0 CFAAHN COc1ccc(CN[C@H](C)C(C)(C)OC)cc1F ZINC000252493999 540749327 /nfs/dbraw/zinc/74/93/27/540749327.db2.gz NIHKXXDHJMFQDU-SNVBAGLBSA-N 0 3 255.333 2.737 50 0 CFAAHN O=c1c2ccsc2ccn1CCN1CCCCC1 ZINC000166443584 540937296 /nfs/dbraw/zinc/93/72/96/540937296.db2.gz HPYCHSXISBZJGG-UHFFFAOYSA-N 0 3 262.378 2.549 50 0 CFAAHN C[C@H](CO)NCc1cc(COc2ccccc2)cs1 ZINC000670433996 540992295 /nfs/dbraw/zinc/99/22/95/540992295.db2.gz LRIYZVMBXXIPIF-GFCCVEGCSA-N 0 3 277.389 2.798 50 0 CFAAHN Cc1nncn1CCN1CCC2(CCc3ccccc32)CC1 ZINC000670469556 541008199 /nfs/dbraw/zinc/00/81/99/541008199.db2.gz TUCWTSPXSICAML-UHFFFAOYSA-N 0 3 296.418 2.567 50 0 CFAAHN CC[C@@H](NCCc1nc(C)no1)c1ccccc1F ZINC000180842998 189278847 /nfs/dbraw/zinc/27/88/47/189278847.db2.gz BUPCKHMCQUCVGB-CYBMUJFWSA-N 0 3 263.316 2.801 50 0 CFAAHN Cc1ncsc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000205680132 541050376 /nfs/dbraw/zinc/05/03/76/541050376.db2.gz PGSOWPUBMLNVJS-LLVKDONJSA-N 0 3 262.382 2.554 50 0 CFAAHN Cc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1C=C[C@H](CO)C1 ZINC000183573562 189362356 /nfs/dbraw/zinc/36/23/56/189362356.db2.gz KMZGESDMHJKROG-LZWOXQAQSA-N 0 3 273.376 2.735 50 0 CFAAHN OC[C@H]1C=C[C@@H](N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000183575630 189362976 /nfs/dbraw/zinc/36/29/76/189362976.db2.gz CWZHORQVZVSJMO-ZKYQVNSYSA-N 0 3 279.380 2.889 50 0 CFAAHN CCc1nc2c(s1)[C@@H](N[C@@H]1C=C[C@H](CO)C1)CCC2 ZINC000183576085 189363002 /nfs/dbraw/zinc/36/30/02/189363002.db2.gz GFBFASJQCIGHDV-TUAOUCFPSA-N 0 3 278.421 2.610 50 0 CFAAHN Cc1c(F)cccc1-c1ccc(CN[C@@H](C)CO)o1 ZINC000225421730 189750816 /nfs/dbraw/zinc/75/08/16/189750816.db2.gz KPLBBEQDSKGYOQ-JTQLQIEISA-N 0 3 263.312 2.865 50 0 CFAAHN COc1ccc([C@H]2OC[C@H](CN3CCCCC3)O2)cc1 ZINC000000187159 371553050 /nfs/dbraw/zinc/55/30/50/371553050.db2.gz ADGBENJAAOINKA-HOTGVXAUSA-N 0 3 277.364 2.595 50 0 CFAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2cccs2)C1 ZINC000000239715 371566476 /nfs/dbraw/zinc/56/64/76/371566476.db2.gz WKVNJYXAQPCQQT-CYBMUJFWSA-N 0 3 280.437 2.829 50 0 CFAAHN CCOc1ccc(CSC2=NCCN2)cc1Cl ZINC000000273485 371574426 /nfs/dbraw/zinc/57/44/26/371574426.db2.gz IXNYIUDJUMNABT-UHFFFAOYSA-N 0 3 270.785 2.931 50 0 CFAAHN C[C@H](CN1CCCC1)OC(=O)Cc1ccc(Cl)cc1 ZINC000000383087 371600656 /nfs/dbraw/zinc/60/06/56/371600656.db2.gz BCZPULZQYMXJKH-GFCCVEGCSA-N 0 3 281.783 2.910 50 0 CFAAHN Cc1cc2c(cccc2OC[C@@H](O)CN2CCCCC2)[nH]1 ZINC000001405774 371673457 /nfs/dbraw/zinc/67/34/57/371673457.db2.gz ABRVRWMUZLYYHR-AWEZNQCLSA-N 0 3 288.391 2.702 50 0 CFAAHN N=C1Nc2nc3ccccc3n2[C@@H](/C=C/c2ccccc2)N1 ZINC000001408173 371673890 /nfs/dbraw/zinc/67/38/90/371673890.db2.gz YKEVULXNKMWCPY-NKSUMMKUSA-N 0 3 289.342 2.798 50 0 CFAAHN Cc1cc2c(cccc2OC[C@H](O)CN2CCCCC2)[nH]1 ZINC000001405772 371673925 /nfs/dbraw/zinc/67/39/25/371673925.db2.gz ABRVRWMUZLYYHR-CQSZACIVSA-N 0 3 288.391 2.702 50 0 CFAAHN CCOC(=O)C[C@H](N)c1ccc(Br)cc1C ZINC000002553907 371736354 /nfs/dbraw/zinc/73/63/54/371736354.db2.gz OHDKQNKLKJXDIL-NSHDSACASA-N 0 3 286.169 2.711 50 0 CFAAHN O=C(CCN(CCO)Cc1ccccc1)Nc1ccccc1 ZINC000002760617 371751874 /nfs/dbraw/zinc/75/18/74/371751874.db2.gz XOQFMXCKOSVVLH-UHFFFAOYSA-N 0 3 298.386 2.510 50 0 CFAAHN COCCNCCOc1cc(C)c(Cl)c(C)c1 ZINC000002932443 371764411 /nfs/dbraw/zinc/76/44/11/371764411.db2.gz NYCSUXDDNFSLPX-UHFFFAOYSA-N 0 3 257.761 2.572 50 0 CFAAHN CCn1c2ccccc2c2cc(NC(=O)CNC)ccc21 ZINC000003323425 371790887 /nfs/dbraw/zinc/79/08/87/371790887.db2.gz ADAJESGGGCKAAW-UHFFFAOYSA-N 0 3 281.359 2.972 50 0 CFAAHN Fc1cccc(CNCc2ccc3c(c2)OCO3)c1 ZINC000004110878 371835012 /nfs/dbraw/zinc/83/50/12/371835012.db2.gz SSCUZOXSDBZHAT-UHFFFAOYSA-N 0 3 259.280 2.844 50 0 CFAAHN O=C(C1CCN(Cc2cccs2)CC1)N1CCCC1 ZINC000004476003 371857494 /nfs/dbraw/zinc/85/74/94/371857494.db2.gz VYQIQDUXKGFSTJ-UHFFFAOYSA-N 0 3 278.421 2.583 50 0 CFAAHN CCC(=O)O[C@@]1(c2ccccc2)CCN(C)C[C@H]1C ZINC000004626719 371869855 /nfs/dbraw/zinc/86/98/55/371869855.db2.gz UVAZQQHAVMNMHE-CJNGLKHVSA-N 0 3 261.365 2.807 50 0 world CFAAHN N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000004632303 371870013 /nfs/dbraw/zinc/87/00/13/371870013.db2.gz JADRDLCJAMHPII-LBPRGKRZSA-N 0 3 253.305 2.511 50 0 CFAAHN Clc1cc(Br)ccc1N1CCNCC1 ZINC000008418018 371898074 /nfs/dbraw/zinc/89/80/74/371898074.db2.gz OTSXMQBXKSBTJR-UHFFFAOYSA-N 0 3 275.577 2.512 50 0 CFAAHN CCOc1c(CNC)cc(Br)cc1OC ZINC000010474696 371910544 /nfs/dbraw/zinc/91/05/44/371910544.db2.gz DQLXWDXRUZPASL-UHFFFAOYSA-N 0 3 274.158 2.576 50 0 CFAAHN C[C@H](C(=O)NC1CC1)N1CCC(c2ccccc2)CC1 ZINC000012946843 372002309 /nfs/dbraw/zinc/00/23/09/372002309.db2.gz PEVDEGBJZLCZDJ-CYBMUJFWSA-N 0 3 272.392 2.533 50 0 CFAAHN CCC(CC)CN1CCN(C(=O)NC2CCCC2)CC1 ZINC000013328272 372023032 /nfs/dbraw/zinc/02/30/32/372023032.db2.gz FBUYJTRLGQDRKY-UHFFFAOYSA-N 0 3 281.444 2.692 50 0 CFAAHN CN1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000013326354 372023126 /nfs/dbraw/zinc/02/31/26/372023126.db2.gz UCOYKVIQQZCLLH-UHFFFAOYSA-N 0 3 287.190 2.817 50 0 CFAAHN CCOc1c(CNCCCOC)cc(Cl)cc1OC ZINC000013722660 372044224 /nfs/dbraw/zinc/04/42/24/372044224.db2.gz QANMKJQDRJKATQ-UHFFFAOYSA-N 0 3 287.787 2.873 50 0 CFAAHN COc1ccc(Cl)cc1CNCCCCCO ZINC000013718278 372044823 /nfs/dbraw/zinc/04/48/23/372044823.db2.gz FTXXFEMHAKZGGT-UHFFFAOYSA-N 0 3 257.761 2.601 50 0 CFAAHN c1cnc(Oc2cccc(CNC[C@@H]3CCCO3)c2)nc1 ZINC000013731570 372046665 /nfs/dbraw/zinc/04/66/65/372046665.db2.gz LDZBDSOWLUFSMU-HNNXBMFYSA-N 0 3 285.347 2.538 50 0 CFAAHN CCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000016580470 372111860 /nfs/dbraw/zinc/11/18/60/372111860.db2.gz GSZKWGTXPJELNS-UHFFFAOYSA-N 0 3 260.381 2.567 50 0 CFAAHN C[C@@H]1CCC[C@H](N2CCN(Cc3ccco3)CC2)C1 ZINC000019359613 372156342 /nfs/dbraw/zinc/15/63/42/372156342.db2.gz MOFUDSRRLJQSIF-CABCVRRESA-N 0 3 262.397 2.976 50 0 CFAAHN c1ccc(CN2CCNC[C@H]2c2ccccc2)cc1 ZINC000019366321 372156695 /nfs/dbraw/zinc/15/66/95/372156695.db2.gz FELMQTQLBFMOHQ-KRWDZBQOSA-N 0 3 252.361 2.833 50 0 CFAAHN CSc1c(CN2CCN(C)CC2)c2ccccc2n1C ZINC000019367309 372158377 /nfs/dbraw/zinc/15/83/77/372158377.db2.gz GJQJRFRJRAJEGO-UHFFFAOYSA-N 0 3 289.448 2.648 50 0 CFAAHN CC[C@H](C)N1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000019499944 372170512 /nfs/dbraw/zinc/17/05/12/372170512.db2.gz YRLUVLNNALIZOV-AWEZNQCLSA-N 0 3 292.423 2.620 50 0 CFAAHN CC[C@@H](C)NCC(=O)Nc1ccc(Br)cc1 ZINC000020036583 372221639 /nfs/dbraw/zinc/22/16/39/372221639.db2.gz XLUANCFZTFNPFZ-SECBINFHSA-N 0 3 285.185 2.776 50 0 CFAAHN CN1CCC(C)(c2nc(Cc3ccsc3)no2)CC1 ZINC000019743106 372184699 /nfs/dbraw/zinc/18/46/99/372184699.db2.gz UGRPPIMSDMTNAJ-UHFFFAOYSA-N 0 3 277.393 2.705 50 0 CFAAHN C[C@H]1CCC[C@H](N2CCN(Cc3ccccn3)CC2)C1 ZINC000019789921 372187732 /nfs/dbraw/zinc/18/77/32/372187732.db2.gz QUJMCKIWJMBVEL-RDJZCZTQSA-N 0 3 273.424 2.778 50 0 CFAAHN O[C@]1(c2ccc(F)cc2)CCN(Cc2ccccc2)C1 ZINC000019799196 372189703 /nfs/dbraw/zinc/18/97/03/372189703.db2.gz FVLVBRMZBPQASS-QGZVFWFLSA-N 0 3 271.335 2.919 50 0 CFAAHN COC[C@@H](C)NCc1ccc(F)c(Br)c1 ZINC000019905019 372206573 /nfs/dbraw/zinc/20/65/73/372206573.db2.gz ZQTOWVDJDFTLRP-MRVPVSSYSA-N 0 3 276.149 2.713 50 0 CFAAHN O[C@@H](CN1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000025217253 372292393 /nfs/dbraw/zinc/29/23/93/372292393.db2.gz YKWPCIDHTLDGKV-KRWDZBQOSA-N 0 3 271.335 2.917 50 0 CFAAHN NC(=O)[C@H](NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000026162399 372314601 /nfs/dbraw/zinc/31/46/01/372314601.db2.gz FJTPKVHSLMXAMO-OAHLLOKOSA-N 0 3 288.778 2.699 50 0 CFAAHN CN(Cc1ccc(C(N)=O)cc1)[C@H]1CCc2ccccc21 ZINC000029489004 372380918 /nfs/dbraw/zinc/38/09/18/372380918.db2.gz AWAANEFIVJAPKU-KRWDZBQOSA-N 0 3 280.371 2.905 50 0 CFAAHN Cc1oc(C)c(C(=O)N2CCN(c3ccncc3)CC2)c1C ZINC000030882561 372400136 /nfs/dbraw/zinc/40/01/36/372400136.db2.gz BIXSAWYYCIRXKU-UHFFFAOYSA-N 0 3 299.374 2.562 50 0 CFAAHN CN(Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCCC1 ZINC000032851100 372467543 /nfs/dbraw/zinc/46/75/43/372467543.db2.gz HCCFBSMUPXURPS-UHFFFAOYSA-N 0 3 291.782 2.722 50 0 CFAAHN COc1ccccc1CNC[C@@H](O)c1ccc(F)cc1 ZINC000037856525 372726962 /nfs/dbraw/zinc/72/69/62/372726962.db2.gz UFYJFUWXZYZBEP-OAHLLOKOSA-N 0 3 275.323 2.658 50 0 CFAAHN Cc1ccc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)o1 ZINC000039404910 372778362 /nfs/dbraw/zinc/77/83/62/372778362.db2.gz HSKPZJONQZQRCA-OAHLLOKOSA-N 0 3 294.439 2.503 50 0 CFAAHN CC[C@H](CO)NCc1ccc(OC(C)C)c(Cl)c1 ZINC000040731057 372784299 /nfs/dbraw/zinc/78/42/99/372784299.db2.gz UDIKASCKNYYOML-GFCCVEGCSA-N 0 3 271.788 2.988 50 0 CFAAHN Clc1nccc(N2CCN(C3CCCCC3)CC2)n1 ZINC000040478742 372785377 /nfs/dbraw/zinc/78/53/77/372785377.db2.gz AZHQXSQLWIBABY-UHFFFAOYSA-N 0 3 280.803 2.585 50 0 CFAAHN CCN(CC)[C@H](CNC(=O)NC1CC1)c1ccsc1 ZINC000042310085 372904419 /nfs/dbraw/zinc/90/44/19/372904419.db2.gz IOUMDYFZHDRDDS-CYBMUJFWSA-N 0 3 281.425 2.593 50 0 CFAAHN C[C@H](CNC(=O)c1ccc(F)cc1Cl)N1CCCC1 ZINC000042504660 372927936 /nfs/dbraw/zinc/92/79/36/372927936.db2.gz JWTXSGVZYOHXQJ-SNVBAGLBSA-N 0 3 284.762 2.693 50 0 CFAAHN CCCNC(=O)C1CCN(Cc2cccc(F)c2)CC1 ZINC000042685638 372945539 /nfs/dbraw/zinc/94/55/39/372945539.db2.gz LYXPDHOFWMCHAN-UHFFFAOYSA-N 0 3 278.371 2.564 50 0 CFAAHN CC(C)c1ccc(OC2CNC2)c(Br)c1 ZINC000042769573 372954656 /nfs/dbraw/zinc/95/46/56/372954656.db2.gz SNFFKCILYHFUHJ-UHFFFAOYSA-N 0 3 270.170 2.923 50 0 CFAAHN CCCc1cc(Br)ccc1OC1CNC1 ZINC000042769543 372954682 /nfs/dbraw/zinc/95/46/82/372954682.db2.gz CQHOHLMPLDHATH-UHFFFAOYSA-N 0 3 270.170 2.752 50 0 CFAAHN CC(C)Oc1ccccc1CN[C@H]1CCN(C2CC2)C1 ZINC000044686165 373008178 /nfs/dbraw/zinc/00/81/78/373008178.db2.gz KVEWFDNFYPNWQL-HNNXBMFYSA-N 0 3 274.408 2.800 50 0 CFAAHN C[C@@H]1CCCN(CCNC(=O)CCc2ccsc2)C1 ZINC000046878467 373064188 /nfs/dbraw/zinc/06/41/88/373064188.db2.gz IGWUJRPJLJDDKZ-CYBMUJFWSA-N 0 3 280.437 2.529 50 0 CFAAHN C[C@H]1CCCN(CCNC(=O)c2c(F)cccc2Cl)C1 ZINC000046861281 373065385 /nfs/dbraw/zinc/06/53/85/373065385.db2.gz CRCGKLCUAMUVEH-NSHDSACASA-N 0 3 298.789 2.941 50 0 CFAAHN Cn1nc(CNCCc2ccccc2)c(-c2ccccc2)n1 ZINC000057353205 373590210 /nfs/dbraw/zinc/59/02/10/373590210.db2.gz PBLPOEKRMKLKHR-UHFFFAOYSA-N 0 3 292.386 2.814 50 0 CFAAHN CN(C)CCSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000057516718 373596193 /nfs/dbraw/zinc/59/61/93/373596193.db2.gz NCBDBUBYTJICGD-UHFFFAOYSA-N 0 3 296.827 2.789 50 0 CFAAHN C[C@@H]1CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000058358049 373650621 /nfs/dbraw/zinc/65/06/21/373650621.db2.gz GZTWDANWFZEIFW-CYBMUJFWSA-N 0 3 260.381 2.620 50 0 CFAAHN C[C@H](C1CC1)N(C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000058390807 373652764 /nfs/dbraw/zinc/65/27/64/373652764.db2.gz SWXQSJBSIVRICS-CXAGYDPISA-N 0 3 286.419 2.911 50 0 CFAAHN CCOCCN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000057621095 373604907 /nfs/dbraw/zinc/60/49/07/373604907.db2.gz YJCVDRMYWSMIKJ-HNNXBMFYSA-N 0 3 279.380 2.877 50 0 CFAAHN NC[C@H](C(=O)N1CCCCCCC1)c1ccccc1 ZINC000061611044 373720207 /nfs/dbraw/zinc/72/02/07/373720207.db2.gz ZSWZRCGGLHYUQX-HNNXBMFYSA-N 0 3 260.381 2.522 50 0 CFAAHN CCCc1cnc(N2CCN(C(CC)CC)CC2)nc1 ZINC000065528585 373881714 /nfs/dbraw/zinc/88/17/14/373881714.db2.gz OIKKDJHTFOBPMS-UHFFFAOYSA-N 0 3 276.428 2.740 50 0 CFAAHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000065541183 373885393 /nfs/dbraw/zinc/88/53/93/373885393.db2.gz UZBYHYUNHZQZFA-QGZVFWFLSA-N 0 3 297.402 2.644 50 0 CFAAHN CCn1cnnc1[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC000065287724 373853310 /nfs/dbraw/zinc/85/33/10/373853310.db2.gz DIVBHLINCKLBFO-MRXNPFEDSA-N 0 3 284.407 2.986 50 0 CFAAHN CC(C)Cc1ccc(CN2[C@@H]3CC[C@H]2CNC(=O)C3)cc1 ZINC000065395583 373863911 /nfs/dbraw/zinc/86/39/11/373863911.db2.gz MFWJLFOQSHKTKQ-SJORKVTESA-N 0 3 286.419 2.738 50 0 CFAAHN CC(C)(C)OC(=O)N1CCNCC[C@H]1c1ccccc1 ZINC000066054980 373909183 /nfs/dbraw/zinc/90/91/83/373909183.db2.gz QRWXTRAEXJUHPC-AWEZNQCLSA-N 0 3 276.380 2.958 50 0 CFAAHN CCN1CCC[C@H]1CNc1cc(C(C)C)nc(C)n1 ZINC000067754637 373998868 /nfs/dbraw/zinc/99/88/68/373998868.db2.gz GZPLUOMTGHNIJB-ZDUSSCGKSA-N 0 3 262.401 2.805 50 0 CFAAHN CCN1CCC[C@@H]1CNc1cc(C(C)C)nc(C)n1 ZINC000067754635 373999274 /nfs/dbraw/zinc/99/92/74/373999274.db2.gz GZPLUOMTGHNIJB-CYBMUJFWSA-N 0 3 262.401 2.805 50 0 CFAAHN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ncnc2[nH]ccc21 ZINC000067786169 374001836 /nfs/dbraw/zinc/00/18/36/374001836.db2.gz BZAAPRJFQBVDJW-UHFFFAOYSA-N 0 3 284.367 2.615 50 0 CFAAHN CN(C(=O)/C=C/c1ccc(Cl)cc1)C1CCN(C)CC1 ZINC000068192472 374023856 /nfs/dbraw/zinc/02/38/56/374023856.db2.gz JQORNMBNVATKCX-VMPITWQZSA-N 0 3 292.810 2.906 50 0 CFAAHN Cc1ccc(-c2cc(O)c3c(c2)CNCCO3)s1 ZINC000067920696 374016117 /nfs/dbraw/zinc/01/61/17/374016117.db2.gz ZQNSYFCTWIVFHY-UHFFFAOYSA-N 0 3 261.346 2.911 50 0 CFAAHN CC(C)c1ocnc1-c1nc(CC2CCN(C)CC2)no1 ZINC000067975675 374017300 /nfs/dbraw/zinc/01/73/00/374017300.db2.gz BTFFCEWAXYUVSW-UHFFFAOYSA-N 0 3 290.367 2.732 50 0 CFAAHN CCOCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000067231168 373973422 /nfs/dbraw/zinc/97/34/22/373973422.db2.gz LSJYDGDEDWGJMD-CQSZACIVSA-N 0 3 277.364 2.631 50 0 CFAAHN Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000067472755 373981812 /nfs/dbraw/zinc/98/18/12/373981812.db2.gz OOZNGGDRTZEAMH-AWEZNQCLSA-N 0 3 299.418 2.856 50 0 CFAAHN Cc1nc([C@H]2C=CCN2)n(-c2ccc(Cl)cc2C)n1 ZINC000067676040 373992066 /nfs/dbraw/zinc/99/20/66/373992066.db2.gz GETSAYXWDGMBJP-GFCCVEGCSA-N 0 3 274.755 2.738 50 0 CFAAHN COc1ccc(CN[C@@H](C)[C@H](C)n2cccn2)c(OC)c1 ZINC000069415636 374059129 /nfs/dbraw/zinc/05/91/29/374059129.db2.gz UEPVTHHAMLXYAE-STQMWFEESA-N 0 3 289.379 2.640 50 0 CFAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000069491691 374068713 /nfs/dbraw/zinc/06/87/13/374068713.db2.gz BTNVJXOYUPKCPZ-CABCVRRESA-N 0 3 276.355 2.525 50 0 CFAAHN c1csc(CN2CCCN(Cc3ccccn3)CC2)c1 ZINC000069510635 374070682 /nfs/dbraw/zinc/07/06/82/374070682.db2.gz ATSVUBQKUJJUSL-UHFFFAOYSA-N 0 3 287.432 2.851 50 0 CFAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1F ZINC000069922051 374109496 /nfs/dbraw/zinc/10/94/96/374109496.db2.gz XMTXBSCSRYHILS-CABCVRRESA-N 0 3 294.345 2.664 50 0 CFAAHN CC(C)OCCNC1(c2ccc(F)cc2)CCOCC1 ZINC000069973388 374114355 /nfs/dbraw/zinc/11/43/55/374114355.db2.gz NZEJFUMDGJWQQU-UHFFFAOYSA-N 0 3 281.371 2.846 50 0 CFAAHN Cc1ccc(CNC(=O)[C@@H](C(C)C)N2CCCCC2)cn1 ZINC000069974964 374114936 /nfs/dbraw/zinc/11/49/36/374114936.db2.gz ZHNLRZDTCMLABE-MRXNPFEDSA-N 0 3 289.423 2.517 50 0 CFAAHN Cc1cnn([C@H](C)[C@@H](C)NCc2cnn(C(C)(C)C)c2)c1 ZINC000069818301 374101976 /nfs/dbraw/zinc/10/19/76/374101976.db2.gz SUTGPXWJDWWWHH-ZIAGYGMSSA-N 0 3 289.427 2.882 50 0 CFAAHN CC[C@@H](COC)NCc1ccccc1Br ZINC000070656696 374201014 /nfs/dbraw/zinc/20/10/14/374201014.db2.gz QADLOMJBZMETPW-NSHDSACASA-N 0 3 272.186 2.964 50 0 CFAAHN c1ccc2cc(N3CCN(C[C@@H]4CCOC4)CC3)ccc2c1 ZINC000072133071 374233649 /nfs/dbraw/zinc/23/36/49/374233649.db2.gz GXYRFYALNJUWED-INIZCTEOSA-N 0 3 296.414 2.998 50 0 CFAAHN Cc1cnn(C[C@@H](C)NCc2nc3ccccc3nc2C)c1 ZINC000072267519 374238353 /nfs/dbraw/zinc/23/83/53/374238353.db2.gz LYXLMWPJDSDGTH-CYBMUJFWSA-N 0 3 295.390 2.621 50 0 CFAAHN CCN(CC)CC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000075560940 374492220 /nfs/dbraw/zinc/49/22/20/374492220.db2.gz ZNCPONYEEJCMLG-KGLIPLIRSA-N 0 3 278.396 2.921 50 0 CFAAHN CC1(C)CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000076012495 374520160 /nfs/dbraw/zinc/52/01/60/374520160.db2.gz CSJQPNRKFMRGSW-CQSZACIVSA-N 0 3 274.364 2.744 50 0 CFAAHN CCS[C@H]1CC[C@H](N(C)CC(=O)NCc2ccco2)C1 ZINC000076068837 374528735 /nfs/dbraw/zinc/52/87/35/374528735.db2.gz DSYZUKPBTYFZLS-JSGCOSHPSA-N 0 3 296.436 2.502 50 0 CFAAHN CN1CCCN(c2ccc3ccc(F)cc3n2)CC1 ZINC000083877990 374759101 /nfs/dbraw/zinc/75/91/01/374759101.db2.gz IOFRRRXLBUGEBO-UHFFFAOYSA-N 0 3 259.328 2.516 50 0 CFAAHN CC(C)(C)OC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000089893067 374965199 /nfs/dbraw/zinc/96/51/99/374965199.db2.gz QNTPKGBPNCLZIX-AWEZNQCLSA-N 0 3 292.379 2.600 50 0 CFAAHN CCC(=O)N1CC[C@@H](Nc2cc(C)nc3ccccc32)C1 ZINC000089941618 374974794 /nfs/dbraw/zinc/97/47/94/374974794.db2.gz KIARCBKAICFFLH-CYBMUJFWSA-N 0 3 283.375 2.966 50 0 CFAAHN O=C1C[C@@H](N[C@H]2CCSc3ccccc32)CN1C1CC1 ZINC000090180758 374998484 /nfs/dbraw/zinc/99/84/84/374998484.db2.gz NWUNADGWSZURSJ-RISCZKNCSA-N 0 3 288.416 2.576 50 0 CFAAHN C[S@@](=O)c1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000090221005 375006089 /nfs/dbraw/zinc/00/60/89/375006089.db2.gz LDDKOWJYECPVER-VLIAUNLRSA-N 0 3 295.448 2.860 50 0 CFAAHN c1ccc(C[C@H]2COCc3ccccc3CN2)cc1 ZINC000090394337 375010580 /nfs/dbraw/zinc/01/05/80/375010580.db2.gz FIDDBFSBYXUIQD-KRWDZBQOSA-N 0 3 253.345 2.918 50 0 CFAAHN CCc1ccc([C@H](C)N[C@H]2CCc3n[nH]cc3C2)o1 ZINC000090454984 375015580 /nfs/dbraw/zinc/01/55/80/375015580.db2.gz SVHSJPOYIJAHET-JQWIXIFHSA-N 0 3 259.353 2.773 50 0 CFAAHN CN(Cc1ccccc1-n1cccn1)C[C@@H]1CCCCO1 ZINC000092427316 375109971 /nfs/dbraw/zinc/10/99/71/375109971.db2.gz MMOKEIGSSQLSHZ-INIZCTEOSA-N 0 3 285.391 2.873 50 0 CFAAHN CC(=O)Nc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1 ZINC000092540688 375122310 /nfs/dbraw/zinc/12/23/10/375122310.db2.gz KWPBYZTUQVPKLB-VXGBXAGGSA-N 0 3 278.421 2.971 50 0 CFAAHN CCSC[C@@H](C)[N@H+](C)Cc1nc(C)ccc1[O-] ZINC000093739305 375305392 /nfs/dbraw/zinc/30/53/92/375305392.db2.gz GULJPBFXLMPJTE-LLVKDONJSA-N 0 3 254.399 2.669 50 0 CFAAHN CCSC[C@@H](C)[N@@H+](C)Cc1nc(C)ccc1[O-] ZINC000093739305 375305397 /nfs/dbraw/zinc/30/53/97/375305397.db2.gz GULJPBFXLMPJTE-LLVKDONJSA-N 0 3 254.399 2.669 50 0 CFAAHN CN(CCc1ccncc1)C[C@H](O)c1cccc(Cl)c1 ZINC000095999376 375466019 /nfs/dbraw/zinc/46/60/19/375466019.db2.gz DVUIINPRDRHQSD-INIZCTEOSA-N 0 3 290.794 2.943 50 0 CFAAHN COC(=O)N1CCC[C@H](N[C@@H](C)c2ccc(OC)cc2)C1 ZINC000095421619 375441385 /nfs/dbraw/zinc/44/13/85/375441385.db2.gz UXTOEIXKOOMSFG-JSGCOSHPSA-N 0 3 292.379 2.577 50 0 CFAAHN CCC(=O)N1CC[C@@H](N[C@H]2CCSc3ccccc32)C1 ZINC000095423885 375442092 /nfs/dbraw/zinc/44/20/92/375442092.db2.gz LKNXMXOIHJXBOS-OCCSQVGLSA-N 0 3 290.432 2.824 50 0 CFAAHN Cc1ccc([C@H](C)N[C@@H](C)CCS(C)(=O)=O)cc1C ZINC000095423921 375442273 /nfs/dbraw/zinc/44/22/73/375442273.db2.gz YXKCHUAEHVSMNC-KBPBESRZSA-N 0 3 283.437 2.777 50 0 CFAAHN COC[C@@H](C)NC[C@H](O)c1cc2ccccc2s1 ZINC000095423746 375442548 /nfs/dbraw/zinc/44/25/48/375442548.db2.gz PXICQEMPLYMDRE-PWSUYJOCSA-N 0 3 265.378 2.559 50 0 CFAAHN Cn1cc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)cn1 ZINC000095435733 375448290 /nfs/dbraw/zinc/44/82/90/375448290.db2.gz MSEPEFDNJIFKIB-RHSMWYFYSA-N 0 3 285.391 2.678 50 0 CFAAHN Cc1cc(Cl)cc(C)c1CNC[C@H](C)[S@@](C)=O ZINC000095441235 375451286 /nfs/dbraw/zinc/45/12/86/375451286.db2.gz QBMGRLKZNANFFQ-GTNSWQLSSA-N 0 3 273.829 2.813 50 0 CFAAHN Cc1nn(C)c(C)c1CN[C@H](C)C[C@H](O)c1cccs1 ZINC000095448920 375453653 /nfs/dbraw/zinc/45/36/53/375453653.db2.gz FITZRJRLSHTALU-YGRLFVJLSA-N 0 3 293.436 2.700 50 0 CFAAHN Cc1n[nH]cc1CNC[C@H](c1ccco1)N1CCCCC1 ZINC000097159209 375532194 /nfs/dbraw/zinc/53/21/94/375532194.db2.gz WZFNHZOKTJFZCV-OAHLLOKOSA-N 0 3 288.395 2.628 50 0 CFAAHN Cc1cc(C)n(CCCNCc2c[nH]nc2C(C)(C)C)n1 ZINC000097159539 375533805 /nfs/dbraw/zinc/53/38/05/375533805.db2.gz YBIWGAXLGGQGQF-UHFFFAOYSA-N 0 3 289.427 2.700 50 0 CFAAHN Cc1n[nH]c(C)c1CNCCO[C@@H]1CCCC[C@H]1C ZINC000097159643 375534232 /nfs/dbraw/zinc/53/42/32/375534232.db2.gz QBBCNHORQHINTH-IAQYHMDHSA-N 0 3 265.401 2.711 50 0 CFAAHN Cc1ccccc1-n1cnnc1SC[C@@H]1CCN(C)C1 ZINC000097165084 375535111 /nfs/dbraw/zinc/53/51/11/375535111.db2.gz LSZSPPOEFJNPDT-CYBMUJFWSA-N 0 3 288.420 2.620 50 0 CFAAHN 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CFAAHN Cc1[nH]c2ccc(C(=O)NC[C@H](C)N3CCCC3)cc2c1C ZINC000052641236 373449181 /nfs/dbraw/zinc/44/91/81/373449181.db2.gz XHNIHJYIEGAVCE-LBPRGKRZSA-N 0 3 299.418 2.999 50 0 CFAAHN CNCc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000057353129 373590032 /nfs/dbraw/zinc/59/00/32/373590032.db2.gz VFTCHSVKKNYEIP-UHFFFAOYSA-N 0 3 296.349 2.852 50 0 CFAAHN c1cc(CNCCc2nc3ccccc3[nH]2)cs1 ZINC000057353458 373590311 /nfs/dbraw/zinc/59/03/11/373590311.db2.gz VRRSWVLKKKGDOR-UHFFFAOYSA-N 0 3 257.362 2.957 50 0 CFAAHN COc1ccc(Cl)cc1CNCCOc1ccccn1 ZINC000057353340 373590411 /nfs/dbraw/zinc/59/04/11/373590411.db2.gz WNRLJOMTRRJLCQ-UHFFFAOYSA-N 0 3 292.766 2.912 50 0 CFAAHN Cc1ccnc(C[C@@H](C)N(C)Cc2cccnc2)c1 ZINC000055357627 373549710 /nfs/dbraw/zinc/54/97/10/373549710.db2.gz DTETYWWFJNLILE-CQSZACIVSA-N 0 3 255.365 2.848 50 0 CFAAHN CCCCOc1c(CN[C@@H]2CCOC2)cccc1OC ZINC000055575961 373558558 /nfs/dbraw/zinc/55/85/58/373558558.db2.gz KSARFXGACPTFSM-CQSZACIVSA-N 0 3 279.380 2.753 50 0 CFAAHN C[C@H](NCC(=O)NCCc1ccccc1)c1ccccc1 ZINC000058145776 373627533 /nfs/dbraw/zinc/62/75/33/373627533.db2.gz HXIGGNJUMXRBMW-HNNXBMFYSA-N 0 3 282.387 2.696 50 0 CFAAHN CN(C)C[C@H](NC(=O)CC1CCCC1)c1ccccc1 ZINC000058174137 373629525 /nfs/dbraw/zinc/62/95/25/373629525.db2.gz GQDBTTXXACZIFL-INIZCTEOSA-N 0 3 274.408 2.986 50 0 CFAAHN CC(=O)Nc1ccc(CNC[C@H](O)c2ccc(C)cc2)cc1 ZINC000058282873 373640373 /nfs/dbraw/zinc/64/03/73/373640373.db2.gz WTVGPFFCYNONIK-SFHVURJKSA-N 0 3 298.386 2.777 50 0 CFAAHN CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000058282536 373641170 /nfs/dbraw/zinc/64/11/70/373641170.db2.gz SHOVJMYDSPCPJM-OAHLLOKOSA-N 0 3 260.381 2.567 50 0 CFAAHN CC(C)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000058306954 373644816 /nfs/dbraw/zinc/64/48/16/373644816.db2.gz WNRVRUODZTYFDK-UHFFFAOYSA-N 0 3 284.350 2.511 50 0 CFAAHN C[C@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 ZINC000065497382 373879197 /nfs/dbraw/zinc/87/91/97/373879197.db2.gz XWIBCLLRUOHOSS-GUYCJALGSA-N 0 3 251.395 2.526 50 0 CFAAHN CN1CCC(NC(=O)CCc2cccc3ccccc32)CC1 ZINC000065362440 373857274 /nfs/dbraw/zinc/85/72/74/373857274.db2.gz GMXYUSLZQIGFBK-UHFFFAOYSA-N 0 3 296.414 2.983 50 0 CFAAHN CN1CC=C(CCNC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000065386260 373863742 /nfs/dbraw/zinc/86/37/42/373863742.db2.gz ZPKDMOIZZSPVGM-UHFFFAOYSA-N 0 3 294.786 2.509 50 0 CFAAHN Cc1ccc2cc(CN3CCCCC3)c(=O)[nH]c2c1 ZINC000067789249 374001454 /nfs/dbraw/zinc/00/14/54/374001454.db2.gz UDCQOCZDKDCMIH-UHFFFAOYSA-N 0 3 256.349 2.822 50 0 CFAAHN Cc1cc(C)n(C[C@@H](C)NCc2cnc3c(C)cccn23)n1 ZINC000067804946 374003658 /nfs/dbraw/zinc/00/36/58/374003658.db2.gz ZAHXBEHOGKUJKR-CQSZACIVSA-N 0 3 297.406 2.634 50 0 CFAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)CC3CC3)C2)cc1 ZINC000067869286 374013484 /nfs/dbraw/zinc/01/34/84/374013484.db2.gz FSMFOWGININOGH-KRWDZBQOSA-N 0 3 286.419 2.733 50 0 CFAAHN c1cnc2cccc(O[C@@]34CCN(C3)CCC4)c2c1 ZINC000067674289 373989620 /nfs/dbraw/zinc/98/96/20/373989620.db2.gz KKFFNPZHENZUTA-INIZCTEOSA-N 0 3 254.333 2.852 50 0 CFAAHN Cc1cc(C)cc(CCC(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000067691907 373993481 /nfs/dbraw/zinc/99/34/81/373993481.db2.gz ALYPBJDEQPTRIX-QGZVFWFLSA-N 0 3 288.435 2.694 50 0 CFAAHN CC(C)CN(C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000068334827 374028139 /nfs/dbraw/zinc/02/81/39/374028139.db2.gz GNOOCJVMEQNCRO-GFCCVEGCSA-N 0 3 282.815 2.933 50 0 CFAAHN CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1 ZINC000068577479 374034414 /nfs/dbraw/zinc/03/44/14/374034414.db2.gz BCUFIZDAINPDHF-GJZGRUSLSA-N 0 3 276.380 2.786 50 0 CFAAHN CC/C=C(/C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000069417599 374060976 /nfs/dbraw/zinc/06/09/76/374060976.db2.gz SJNMJPSCKQFYQD-QPEQYQDCSA-N 0 3 260.381 2.721 50 0 CFAAHN C[C@H](C(=O)N1CCCCC1)N1CC[C@H](c2ccccc2)C1 ZINC000069654896 374082556 /nfs/dbraw/zinc/08/25/56/374082556.db2.gz RJOTVPACHXASPL-WBVHZDCISA-N 0 3 286.419 2.877 50 0 CFAAHN c1nc2n(n1)C[C@@H](NCc1csc3ccccc13)CC2 ZINC000069459825 374066477 /nfs/dbraw/zinc/06/64/77/374066477.db2.gz GOGASXDMAIPIKZ-LBPRGKRZSA-N 0 3 284.388 2.597 50 0 CFAAHN CCc1oc2ccccc2c1CN[C@@H]1CCc2ncnn2C1 ZINC000069560302 374074201 /nfs/dbraw/zinc/07/42/01/374074201.db2.gz OJRCSQSXENFEPC-GFCCVEGCSA-N 0 3 296.374 2.691 50 0 CFAAHN C[C@H](C(=O)NC(C)(C)C)N1CC[C@H](c2ccccc2)C1 ZINC000069569564 374074393 /nfs/dbraw/zinc/07/43/93/374074393.db2.gz JQVZWPFQFLTYMJ-HIFRSBDPSA-N 0 3 274.408 2.779 50 0 CFAAHN CCOCCN1CCN(C/C=C/c2ccccc2)C[C@@H]1C ZINC000069707002 374087392 /nfs/dbraw/zinc/08/73/92/374087392.db2.gz QGSPMAVROBEOBD-JEJOPICUSA-N 0 3 288.435 2.742 50 0 CFAAHN CC[C@](C)(CO)NCc1ccc(OC(C)C)c(OC)c1 ZINC000069849254 374104888 /nfs/dbraw/zinc/10/48/88/374104888.db2.gz DCHLCKGIYVUGTG-MRXNPFEDSA-N 0 3 281.396 2.733 50 0 CFAAHN NC1(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000071753098 374221619 /nfs/dbraw/zinc/22/16/19/374221619.db2.gz SVNFCWLSSZNRCR-GFCCVEGCSA-N 0 3 278.783 2.537 50 0 CFAAHN CN(C[C@H]1CCCN1C)c1nccc(C2CCCC2)n1 ZINC000071776486 374223747 /nfs/dbraw/zinc/22/37/47/374223747.db2.gz AHGVSCDZNROZPA-CQSZACIVSA-N 0 3 274.412 2.665 50 0 CFAAHN CC(=O)N(C)C1CCN(c2ccnc3ccccc32)CC1 ZINC000071899464 374230458 /nfs/dbraw/zinc/23/04/58/374230458.db2.gz RQDUFGGORNXMFE-UHFFFAOYSA-N 0 3 283.375 2.682 50 0 CFAAHN CCOc1ccccc1CNCCNc1ccccn1 ZINC000072310919 374244036 /nfs/dbraw/zinc/24/40/36/374244036.db2.gz FYIOGPVVURCEPY-UHFFFAOYSA-N 0 3 271.364 2.682 50 0 CFAAHN CN(C)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000072989759 374315199 /nfs/dbraw/zinc/31/51/99/374315199.db2.gz GMZQYMGYYBVROS-ZDUSSCGKSA-N 0 3 264.369 2.814 50 0 CFAAHN Cc1cc(C)n(C[C@@H]2CCCCN2Cc2cccnc2)n1 ZINC000075131865 374459743 /nfs/dbraw/zinc/45/97/43/374459743.db2.gz YOUSWEFISQGCST-KRWDZBQOSA-N 0 3 284.407 2.950 50 0 CFAAHN CCN(CC)CC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000075560933 374491742 /nfs/dbraw/zinc/49/17/42/374491742.db2.gz ZNCPONYEEJCMLG-ZIAGYGMSSA-N 0 3 278.396 2.921 50 0 CFAAHN Cc1ccc(NCCNCc2ccccc2Cl)nn1 ZINC000075582523 374494118 /nfs/dbraw/zinc/49/41/18/374494118.db2.gz HWZHECFMEGOMGE-UHFFFAOYSA-N 0 3 276.771 2.640 50 0 CFAAHN C/C(=C/c1ccccc1)CNC[C@H]1CN(C2CC2)CCO1 ZINC000083812910 374756681 /nfs/dbraw/zinc/75/66/81/374756681.db2.gz UVJOGWQLSPZSKI-RXBGNRNISA-N 0 3 286.419 2.543 50 0 CFAAHN COC(=O)c1ccc(CN(C)C2CCC(CO)CC2)s1 ZINC000089924287 374969032 /nfs/dbraw/zinc/96/90/32/374969032.db2.gz NJTDYDHFPZHDOD-UHFFFAOYSA-N 0 3 297.420 2.518 50 0 CFAAHN Cc1cn2c(n1)[C@H](CNCc1cnn3ccccc13)CCC2 ZINC000089702148 374939454 /nfs/dbraw/zinc/93/94/54/374939454.db2.gz NBTCSIQYMWUUET-AWEZNQCLSA-N 0 3 295.390 2.506 50 0 CFAAHN CN(CCN[C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000089745531 374944084 /nfs/dbraw/zinc/94/40/84/374944084.db2.gz ZKNZDURBRUGDQZ-INIZCTEOSA-N 0 3 284.407 2.524 50 0 CFAAHN CC1CCN(CCNC(=O)OCc2ccccc2F)CC1 ZINC000089929972 374970923 /nfs/dbraw/zinc/97/09/23/374970923.db2.gz QHISAUPBXOHYRQ-UHFFFAOYSA-N 0 3 294.370 2.784 50 0 CFAAHN O=C1CC[C@@H]2CN(Cc3ccccc3)CC[C@H]2N1C1CC1 ZINC000089834916 374959106 /nfs/dbraw/zinc/95/91/06/374959106.db2.gz SCEBQEXKOXURIY-NVXWUHKLSA-N 0 3 284.403 2.662 50 0 CFAAHN CC[C@@H](O)[C@H]1CCCCN1Cc1c(C)nc2ccccn21 ZINC000089942808 374975126 /nfs/dbraw/zinc/97/51/26/374975126.db2.gz ODHMIEBZJPOPHE-GDBMZVCRSA-N 0 3 287.407 2.768 50 0 CFAAHN CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NCc1cscn1 ZINC000089949182 374976966 /nfs/dbraw/zinc/97/69/66/374976966.db2.gz XFCOWRICAXPIIR-GXTWGEPZSA-N 0 3 295.452 2.516 50 0 CFAAHN Cc1ccc(C)c([C@H](O)CN(C)[C@@H]2CCSC2)c1 ZINC000089937497 374972580 /nfs/dbraw/zinc/97/25/80/374972580.db2.gz KUQNDSSCFWRYIV-UKRRQHHQSA-N 0 3 265.422 2.774 50 0 CFAAHN COc1ccccc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000093866168 375322825 /nfs/dbraw/zinc/32/28/25/375322825.db2.gz CEOLONMVQCHNFA-MRXNPFEDSA-N 0 3 284.359 2.744 50 0 CFAAHN CCCCn1ccnc1[C@@H]1CCCN(CCOC)C1 ZINC000095384971 375427025 /nfs/dbraw/zinc/42/70/25/375427025.db2.gz NMEIPKZVWCUFHN-CQSZACIVSA-N 0 3 265.401 2.509 50 0 CFAAHN Cc1ccc([C@@H](C)N[C@@H](C)CCS(C)(=O)=O)cc1C ZINC000095423920 375441848 /nfs/dbraw/zinc/44/18/48/375441848.db2.gz YXKCHUAEHVSMNC-UONOGXRCSA-N 0 3 283.437 2.777 50 0 CFAAHN Cc1noc(C)c1CN[C@@H](C)C[C@H](O)c1cccs1 ZINC000095448927 375454148 /nfs/dbraw/zinc/45/41/48/375454148.db2.gz UNSCPEMUDCKODQ-ZANVPECISA-N 0 3 280.393 2.955 50 0 CFAAHN CCc1nnc2n1C[C@@H](NCc1cc3ccccc3o1)CC2 ZINC000097199353 375537062 /nfs/dbraw/zinc/53/70/62/375537062.db2.gz AQUSKNYVWJDJHG-ZDUSSCGKSA-N 0 3 296.374 2.691 50 0 CFAAHN COc1ccc([C@H](C)N[C@]2(C)CCOC2)cc1F ZINC000097038518 375498238 /nfs/dbraw/zinc/49/82/38/375498238.db2.gz JJVMFXMYFLMOHP-IINYFYTJSA-N 0 3 253.317 2.664 50 0 CFAAHN COc1ccc([C@@H](C)N[C@]2(C)CCOC2)cc1F ZINC000097038520 375498381 /nfs/dbraw/zinc/49/83/81/375498381.db2.gz JJVMFXMYFLMOHP-QMTHXVAHSA-N 0 3 253.317 2.664 50 0 CFAAHN Cc1cc([C@H](C)NC[C@H](C)CS(C)(=O)=O)c(C)s1 ZINC000097109675 375521391 /nfs/dbraw/zinc/52/13/91/375521391.db2.gz QBKMUHRFOFFAOP-ONGXEEELSA-N 0 3 289.466 2.696 50 0 CFAAHN CCCn1nc(C)c(CN2CCCSCC2)c1C ZINC000097113632 375524316 /nfs/dbraw/zinc/52/43/16/375524316.db2.gz KHQGZMRQUBKRBG-UHFFFAOYSA-N 0 3 267.442 2.849 50 0 CFAAHN c1cc2cccc(-c3nc4c([nH]3)CNCC4)c2s1 ZINC000097334351 375550203 /nfs/dbraw/zinc/55/02/03/375550203.db2.gz BLKZMUFIOLMFKC-UHFFFAOYSA-N 0 3 255.346 2.937 50 0 CFAAHN Fc1cccc(CN2CCCO[C@H](CN3CCCC3)C2)c1 ZINC000097436871 375559831 /nfs/dbraw/zinc/55/98/31/375559831.db2.gz ZPKOECRBEPFZMY-QGZVFWFLSA-N 0 3 292.398 2.512 50 0 CFAAHN c1ccc(-n2nc(C3CCOCC3)nc2[C@H]2CCCN2)cc1 ZINC000097660581 375577370 /nfs/dbraw/zinc/57/73/70/375577370.db2.gz PVLIKLJVAYKMGA-OAHLLOKOSA-N 0 3 298.390 2.586 50 0 CFAAHN N=C1c2ccccc2CN1CC(=O)c1ccccc1 ZINC000100668071 375626122 /nfs/dbraw/zinc/62/61/22/375626122.db2.gz GMXDICRNXLEYQM-UHFFFAOYSA-N 0 3 250.301 2.710 50 0 CFAAHN CC/C=C(\C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000101395859 375636035 /nfs/dbraw/zinc/63/60/35/375636035.db2.gz HAZVVIPYYAIIJL-VGOFMYFVSA-N 0 3 290.407 2.600 50 0 CFAAHN C[C@@H](NCC(C)(C)C(N)=O)c1ccc(Cl)s1 ZINC000134818806 378051816 /nfs/dbraw/zinc/05/18/16/378051816.db2.gz QJULAGKLCPISDP-SSDOTTSWSA-N 0 3 260.790 2.564 50 0 CFAAHN C[C@@H](NC(=O)C1(N)CC1)c1ccc2ccccc2c1 ZINC000150720973 378268726 /nfs/dbraw/zinc/26/87/26/378268726.db2.gz AGVNKLODZCZTIV-LLVKDONJSA-N 0 3 254.333 2.508 50 0 CFAAHN O=C(NCC[NH+]1CCCCCC1)c1cc([O-])ccc1Cl ZINC000278504457 194017177 /nfs/dbraw/zinc/01/71/77/194017177.db2.gz AUMDSADWQJLKLO-UHFFFAOYSA-N 0 3 296.798 2.651 50 0 CFAAHN CCCOc1ccc(CN[C@H](CO)C(C)(C)C)cc1OC ZINC000170595402 379123746 /nfs/dbraw/zinc/12/37/46/379123746.db2.gz HHPKNGPWZUXLBC-MRXNPFEDSA-N 0 3 295.423 2.981 50 0 CFAAHN CC[C@H]1c2ccsc2CCN1CCC(=O)N(C)C ZINC000170607730 379127673 /nfs/dbraw/zinc/12/76/73/379127673.db2.gz RJWPONFYQFTBAG-LBPRGKRZSA-N 0 3 266.410 2.536 50 0 CFAAHN C[C@H]1CCCN(CCNC(=O)c2cc3sccc3[nH]2)C1 ZINC000170610234 379128685 /nfs/dbraw/zinc/12/86/85/379128685.db2.gz JDVVGROPTUTCIK-NSHDSACASA-N 0 3 291.420 2.691 50 0 CFAAHN CC(C)(CCS(C)(=O)=O)NCc1ccc(Cl)s1 ZINC000174640408 379922228 /nfs/dbraw/zinc/92/22/28/379922228.db2.gz RFMIDYXGJDWFKF-UHFFFAOYSA-N 0 3 295.857 2.704 50 0 CFAAHN Cc1nccn1C[C@H]1CCCN1CCC(=O)c1ccccc1 ZINC000182404994 381083861 /nfs/dbraw/zinc/08/38/61/381083861.db2.gz VRIKBHQGLZJQFN-QGZVFWFLSA-N 0 3 297.402 2.929 50 0 CFAAHN NC(=O)[C@H](NCCc1ccccc1Cl)c1ccccc1 ZINC000049394242 412942527 /nfs/dbraw/zinc/94/25/27/412942527.db2.gz AKTIVJFZMDGARE-OAHLLOKOSA-N 0 3 288.778 2.699 50 0 CFAAHN COc1ccc(CNC2CC2)cc1OCCc1ccccn1 ZINC000299773867 382046648 /nfs/dbraw/zinc/04/66/48/382046648.db2.gz GNQUESBIVKTYCK-UHFFFAOYSA-N 0 3 298.386 2.964 50 0 CFAAHN CCC[C@]1(CO)CCN(CCOc2ccccc2OC)C1 ZINC000344228022 382214599 /nfs/dbraw/zinc/21/45/99/382214599.db2.gz BASDVMNFSCBISJ-KRWDZBQOSA-N 0 3 293.407 2.559 50 0 CFAAHN NC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1F ZINC000189474598 382613506 /nfs/dbraw/zinc/61/35/06/382613506.db2.gz HZYUJJFVKAFJDC-YPMHNXCESA-N 0 3 284.762 2.613 50 0 CFAAHN COC[C@@H](NCCc1nc(C)no1)c1ccc(Cl)cc1 ZINC000194091766 382734661 /nfs/dbraw/zinc/73/46/61/382734661.db2.gz GALTTZIETBFGNZ-CYBMUJFWSA-N 0 3 295.770 2.551 50 0 CFAAHN O[C@H](CN[C@H]1CCCC[C@@H]1C(F)(F)F)C(F)(F)F ZINC000195570161 382769967 /nfs/dbraw/zinc/76/99/67/382769967.db2.gz JEJCURJKGQZYBR-BIIVOSGPSA-N 0 3 279.224 2.620 50 0 CFAAHN COc1cc2c(cc1CN(C)CCc1cnn(C)c1)CCC2 ZINC000215395265 382778566 /nfs/dbraw/zinc/77/85/66/382778566.db2.gz CIQYZNXPZOYZPD-UHFFFAOYSA-N 0 3 299.418 2.592 50 0 CFAAHN OCC[C@@H]1CCCCN1Cc1cc2ccccc2[nH]1 ZINC000215472381 382779293 /nfs/dbraw/zinc/77/92/93/382779293.db2.gz HXHZGTPTGKIIMJ-HNNXBMFYSA-N 0 3 258.365 2.905 50 0 CFAAHN CN(CCC[C@H]1CCCO1)Cc1ccc(N(C)C)nc1 ZINC000215837343 382780680 /nfs/dbraw/zinc/78/06/80/382780680.db2.gz ARWXPSHLTJQOMA-HNNXBMFYSA-N 0 3 277.412 2.539 50 0 CFAAHN COC[C@@H]1CCN(Cc2ccc3cccc(OC)c3n2)C1 ZINC000215957551 382781343 /nfs/dbraw/zinc/78/13/43/382781343.db2.gz DFZMJJJXTMTPDO-CYBMUJFWSA-N 0 3 286.375 2.712 50 0 CFAAHN COCCC[C@@H]1CCCN(Cc2c(C)n[nH]c2C)C1 ZINC000216251490 382782652 /nfs/dbraw/zinc/78/26/52/382782652.db2.gz LYOYIVQKANSBSY-AWEZNQCLSA-N 0 3 265.401 2.665 50 0 CFAAHN CCOC[C@@H]1CCCN1Cc1ccc(OC)c(COC)c1 ZINC000216347700 382783060 /nfs/dbraw/zinc/78/30/60/382783060.db2.gz SAEGMGKKSLABER-INIZCTEOSA-N 0 3 293.407 2.843 50 0 CFAAHN COc1ccc(CN2CCCC[C@@H]2CCCO)c(F)c1 ZINC000216347878 382783214 /nfs/dbraw/zinc/78/32/14/382783214.db2.gz KDSVAEGMLLHKOO-CQSZACIVSA-N 0 3 281.371 2.961 50 0 CFAAHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cccc(F)c1 ZINC000225495700 382817220 /nfs/dbraw/zinc/81/72/20/382817220.db2.gz ZHVWFTUANXTCLZ-HNNXBMFYSA-N 0 3 276.355 2.572 50 0 CFAAHN NC(=O)[C@@H](c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000229209818 382851076 /nfs/dbraw/zinc/85/10/76/382851076.db2.gz JWRYWZCCLVWTRM-IAGOWNOFSA-N 0 3 280.371 2.703 50 0 CFAAHN CCCCN1CCN(C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000229376874 382851089 /nfs/dbraw/zinc/85/10/89/382851089.db2.gz ANXDHFAREHYFSO-DOTOQJQBSA-N 0 3 276.424 2.526 50 0 CFAAHN COc1ccccc1OCCCN1CCSCC1 ZINC000231530230 382865541 /nfs/dbraw/zinc/86/55/41/382865541.db2.gz KNEOFSMPVGVXHE-UHFFFAOYSA-N 0 3 267.394 2.513 50 0 CFAAHN CCS[C@@H]1CCC[C@H]1NCC(=O)NCc1ccccc1 ZINC000233838689 382872620 /nfs/dbraw/zinc/87/26/20/382872620.db2.gz SLAACSBZTKIVHG-HUUCEWRRSA-N 0 3 292.448 2.567 50 0 CFAAHN C=Cn1cc(CNC2CCC(O)(c3ccccc3)CC2)cn1 ZINC000240444231 382982215 /nfs/dbraw/zinc/98/22/15/382982215.db2.gz FWUIAEXJCRAFCJ-UHFFFAOYSA-N 0 3 297.402 2.904 50 0 CFAAHN C[C@@H]1CCCCN1C1CN(CCCc2cccnc2)C1 ZINC000243885600 382987181 /nfs/dbraw/zinc/98/71/81/382987181.db2.gz AATLNKPWDJNZCC-OAHLLOKOSA-N 0 3 273.424 2.573 50 0 CFAAHN CCc1ccccc1NC(=O)CCN1CCCO[C@@H](C)C1 ZINC000244873080 382994706 /nfs/dbraw/zinc/99/47/06/382994706.db2.gz WJSSIBUAPSPOFQ-AWEZNQCLSA-N 0 3 290.407 2.688 50 0 CFAAHN C[C@@H]1OCC[C@H]1N[C@H]1CCCOc2c(F)cccc21 ZINC000246015323 383058846 /nfs/dbraw/zinc/05/88/46/383058846.db2.gz UHTOFRUNYUKFAK-GDLCADMTSA-N 0 3 265.328 2.806 50 0 CFAAHN Cc1cccc(C)c1NC(=O)NCC1(N(C)C)CC1 ZINC000583650785 383091931 /nfs/dbraw/zinc/09/19/31/383091931.db2.gz BCVOJJVMEQLOAQ-UHFFFAOYSA-N 0 3 261.369 2.519 50 0 CFAAHN C[C@@H](NCc1ccns1)[C@H](c1ccccc1)N(C)C ZINC000585117775 383115215 /nfs/dbraw/zinc/11/52/15/383115215.db2.gz WJNMCDGBJXWADE-IUODEOHRSA-N 0 3 275.421 2.924 50 0 CFAAHN CC[C@@H]1CN(CCSC(C)(C)C)C[C@]2(CCOC2)O1 ZINC000252489600 383412977 /nfs/dbraw/zinc/41/29/77/383412977.db2.gz JUQMONLPBJRHHO-HIFRSBDPSA-N 0 3 287.469 2.788 50 0 CFAAHN COC(=O)/C(C)=C\CN(C)[C@H]1CCc2ccccc21 ZINC000252675627 383427362 /nfs/dbraw/zinc/42/73/62/383427362.db2.gz UODPEXMWVDODGJ-WQTVUKCASA-N 0 3 259.349 2.725 50 0 CFAAHN CCC(=O)O[C@]1(c2ccccc2C)CCN(C)[C@H]1C ZINC000255963356 383488194 /nfs/dbraw/zinc/48/81/94/383488194.db2.gz AVJHHMSHPYWQSR-XJKSGUPXSA-N 0 3 261.365 2.868 50 0 CFAAHN OCCN[C@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000089827861 285261565 /nfs/dbraw/zinc/26/15/65/285261565.db2.gz GTHKWVVCHKRPAG-RDJZCZTQSA-N 0 3 269.344 2.833 50 0 CFAAHN O[C@@H](CN1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000008132648 285302282 /nfs/dbraw/zinc/30/22/82/285302282.db2.gz HMDFHKCUQNUSEN-STQMWFEESA-N 0 3 273.298 2.994 50 0 CFAAHN CCn1nc(C)c(CN2CCC[C@H](c3cc[nH]n3)C2)c1C ZINC000020560853 542642861 /nfs/dbraw/zinc/64/28/61/542642861.db2.gz XYJWJMNIRLYLTQ-AWEZNQCLSA-N 0 3 287.411 2.623 50 0 CFAAHN C[C@@H]1CCC[C@H](C)N1CC(=O)NC1CCCCC1 ZINC000006007646 393462450 /nfs/dbraw/zinc/46/24/50/393462450.db2.gz INQCLXMFWNEMJW-BETUJISGSA-N 0 3 252.402 2.698 50 0 CFAAHN C[C@@H](c1nc(C2CC2)no1)N1CCC(c2ccn[nH]2)CC1 ZINC000058208502 393623176 /nfs/dbraw/zinc/62/31/76/393623176.db2.gz MABBZRZGQRRTLF-JTQLQIEISA-N 0 3 287.367 2.611 50 0 CFAAHN Fc1ccc(OCCN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193997155 393670556 /nfs/dbraw/zinc/67/05/56/393670556.db2.gz ZDCLKVAMYGYFAS-ZDUSSCGKSA-N 0 3 289.354 2.807 50 0 CFAAHN Cc1ccnc(N[C@@H](C)CN2CCc3ccccc3C2)n1 ZINC000095356161 393811803 /nfs/dbraw/zinc/81/18/03/393811803.db2.gz LMACWBDWOIPXQF-AWEZNQCLSA-N 0 3 282.391 2.644 50 0 CFAAHN NC(=O)CC[C@@H]1CCCN(CCSc2ccccc2)C1 ZINC000096410324 393823858 /nfs/dbraw/zinc/82/38/58/393823858.db2.gz LEOBCSSXBSUDQX-AWEZNQCLSA-N 0 3 292.448 2.756 50 0 CFAAHN Cc1ccccc1[C@H]1C[C@@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000096419232 393826879 /nfs/dbraw/zinc/82/68/79/393826879.db2.gz GGVCKTYLHILYTR-MSOLQXFVSA-N 0 3 298.430 2.842 50 0 CFAAHN Cc1cccc(N2CCN(CC[C@H]3CCOC3)CC2)c1 ZINC000437580752 394060750 /nfs/dbraw/zinc/06/07/50/394060750.db2.gz NXIUFMUDSBAZLQ-INIZCTEOSA-N 0 3 274.408 2.544 50 0 CFAAHN O=c1cc(CN2CC[C@H]3CCCC[C@@H]3C2)nc2ccccn12 ZINC000026880242 542988782 /nfs/dbraw/zinc/98/87/82/542988782.db2.gz OZEMTDMKEMZKEZ-HUUCEWRRSA-N 0 3 297.402 2.707 50 0 CFAAHN CN(C)Cc1ccc(CN(C)Cc2ccncc2)cc1 ZINC000408514036 397564902 /nfs/dbraw/zinc/56/49/02/397564902.db2.gz GCCAIPKVTOMVMV-UHFFFAOYSA-N 0 3 269.392 2.775 50 0 CFAAHN Cc1cc(N2CCC(OCc3ccccc3)CC2)nc(N)n1 ZINC000045725080 397577076 /nfs/dbraw/zinc/57/70/76/397577076.db2.gz CFEUFEHWAXHGFW-UHFFFAOYSA-N 0 3 298.390 2.553 50 0 CFAAHN COc1ccc([C@H](O)[C@@H](C)N[C@H](C)c2cccnc2)cc1 ZINC000108489359 397598286 /nfs/dbraw/zinc/59/82/86/397598286.db2.gz VKSOMXKVWZBIDT-PBFPGSCMSA-N 0 3 286.375 2.863 50 0 CFAAHN Cc1ncsc1CN1CCC(Cn2ccnc2)CC1 ZINC000825284812 782007668 /nfs/dbraw/zinc/00/76/68/782007668.db2.gz SKDGOOPUEOQVMH-UHFFFAOYSA-N 0 3 276.409 2.560 50 0 CFAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)C1CCC1 ZINC000004597870 292369586 /nfs/dbraw/zinc/36/95/86/292369586.db2.gz AMXKHKZYEPHIKK-WBVHZDCISA-N 0 3 284.403 2.929 50 0 CFAAHN C[C@@H](N[C@@H](C)c1ccco1)[C@H](O)Cc1ccccc1 ZINC000090655919 287052178 /nfs/dbraw/zinc/05/21/78/287052178.db2.gz UGZQGNATNXPSAO-VNHYZAJKSA-N 0 3 259.349 2.922 50 0 CFAAHN C[C@H](NC(=S)NCCN1CCCCC1)c1ccccc1 ZINC000002872569 169839557 /nfs/dbraw/zinc/83/95/57/169839557.db2.gz GENACJVSBSVXJY-AWEZNQCLSA-N 0 3 291.464 2.698 50 0 CFAAHN O=C(Nc1cccc2ccccc21)[C@H]1CCCCN1 ZINC000004714016 170004133 /nfs/dbraw/zinc/00/41/33/170004133.db2.gz ZQCHGLIQYCHSGJ-OAHLLOKOSA-N 0 3 254.333 2.920 50 0 CFAAHN C[C@@H](CN1CCCCC1)OC(=O)c1cccc(F)c1 ZINC000004804206 170019653 /nfs/dbraw/zinc/01/96/53/170019653.db2.gz HFPPAMJHFMDHBC-LBPRGKRZSA-N 0 3 265.328 2.857 50 0 CFAAHN CC[C@@H](CO)NCc1ccc(-c2ccccc2F)o1 ZINC000004842741 170028951 /nfs/dbraw/zinc/02/89/51/170028951.db2.gz HLZQHFHPRJZMDW-NSHDSACASA-N 0 3 263.312 2.946 50 0 CFAAHN CC[C@@H](CO)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000004942861 170043297 /nfs/dbraw/zinc/04/32/97/170043297.db2.gz LQZOFNYZWZTGCB-ZDUSSCGKSA-N 0 3 263.312 2.946 50 0 CFAAHN CCOc1ccc(CNC[C@@H]2CCCO2)cc1OCC ZINC000005019244 170056642 /nfs/dbraw/zinc/05/66/42/170056642.db2.gz FDKYOYPHYGFWCC-AWEZNQCLSA-N 0 3 279.380 2.753 50 0 CFAAHN C[C@@H](NC[C@@H](O)COc1ccccc1)c1ccccc1 ZINC000005171588 170073250 /nfs/dbraw/zinc/07/32/50/170073250.db2.gz RXEDPFOIQRFAIZ-GDBMZVCRSA-N 0 3 271.360 2.777 50 0 CFAAHN COc1ccc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)cc1OC ZINC000005729821 170134282 /nfs/dbraw/zinc/13/42/82/170134282.db2.gz IWVGVUFXHMKTRI-XOKHGSTOSA-N 0 3 291.391 2.660 50 0 CFAAHN CC(C)N(CC(N)=O)Cc1cccc2ccccc21 ZINC000006647988 170222044 /nfs/dbraw/zinc/22/20/44/170222044.db2.gz DLZOMJMGXHMGMR-UHFFFAOYSA-N 0 3 256.349 2.536 50 0 CFAAHN 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171040734 /nfs/dbraw/zinc/04/07/34/171040734.db2.gz ZNFMWPAATKRBGL-HNNXBMFYSA-N 0 3 297.354 2.551 50 0 CFAAHN Cc1nc2ccccc2n1CCNCc1ccco1 ZINC000020186635 171050586 /nfs/dbraw/zinc/05/05/86/171050586.db2.gz STELVBRWIIDUSB-UHFFFAOYSA-N 0 3 255.321 2.728 50 0 CFAAHN OC1CCN(Cc2csc3c2CCCC3)CC1 ZINC000020211577 171074933 /nfs/dbraw/zinc/07/49/33/171074933.db2.gz VNDPUHDVANVPOW-UHFFFAOYSA-N 0 3 251.395 2.584 50 0 CFAAHN CO[C@H]1CCCN(CCOc2ccc(Cl)cc2)C1 ZINC000020867931 171276668 /nfs/dbraw/zinc/27/66/68/171276668.db2.gz DFNLEDKRPDALNQ-AWEZNQCLSA-N 0 3 269.772 2.830 50 0 CFAAHN CCCOc1ccccc1CNCCCN1CCCC1=O ZINC000020924690 171280034 /nfs/dbraw/zinc/28/00/34/171280034.db2.gz ZNJSCRXFTALRPN-UHFFFAOYSA-N 0 3 290.407 2.578 50 0 CFAAHN CCCOc1ccc(CN[C@@H](CC)CO)cc1Cl ZINC000020925471 171280368 /nfs/dbraw/zinc/28/03/68/171280368.db2.gz GCRVOHKWFGZXCE-LBPRGKRZSA-N 0 3 271.788 2.989 50 0 CFAAHN Cc1ccccc1COc1ccccc1CNCCO ZINC000033440395 171800218 /nfs/dbraw/zinc/80/02/18/171800218.db2.gz 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CFAAHN C[C@@H]1C[C@H](C)CN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000014242314 278003972 /nfs/dbraw/zinc/00/39/72/278003972.db2.gz LSWMVNUKILGFOG-JKIFEVAISA-N 0 3 286.419 2.984 50 0 CFAAHN C[C@@H](C1CC1)N(CC(=O)N[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000042123229 278218997 /nfs/dbraw/zinc/21/89/97/278218997.db2.gz OBQPGRUDNHVABH-DVOMOZLQSA-N 0 3 278.440 2.944 50 0 CFAAHN C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1ccccn1 ZINC000095978196 278294775 /nfs/dbraw/zinc/29/47/75/278294775.db2.gz MCZXZEQNCQMISU-LRDDRELGSA-N 0 3 274.339 2.823 50 0 CFAAHN Cc1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1F ZINC000065475171 278783811 /nfs/dbraw/zinc/78/38/11/278783811.db2.gz BYKAIMHWVQSWCN-OAHLLOKOSA-N 0 3 290.382 2.835 50 0 CFAAHN Cc1n[nH]c(C)c1CNCCO[C@H]1CCCC[C@@H]1C ZINC000097159642 279055079 /nfs/dbraw/zinc/05/50/79/279055079.db2.gz QBBCNHORQHINTH-NHYWBVRUSA-N 0 3 265.401 2.711 50 0 CFAAHN C[C@H](C1CC1)N(CC(=O)N[C@H]1CCCC[C@H]1C)C1CC1 ZINC000252586190 279241877 /nfs/dbraw/zinc/24/18/77/279241877.db2.gz OBQPGRUDNHVABH-IOASZLSFSA-N 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C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)C2CC2)CC1 ZINC000030283107 623570514 /nfs/dbraw/zinc/57/05/14/623570514.db2.gz VTVBIHQEZZNUEH-GFCCVEGCSA-N 0 3 290.382 2.877 50 0 CFAAHN CCN1CCC[C@@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC000155122106 624633811 /nfs/dbraw/zinc/63/38/11/624633811.db2.gz OOZUSHYHZBZTJU-CQSZACIVSA-N 0 3 299.374 2.556 50 0 CFAAHN CC(C)CCCCN[C@@H](c1nncn1C)C(C)C ZINC000864087320 637866704 /nfs/dbraw/zinc/86/67/04/637866704.db2.gz SNLMJBMDIGDXRU-CYBMUJFWSA-N 0 3 252.406 2.928 50 0 CFAAHN COc1cccc(C[C@H]2CN(C3CCCC3)CCO2)c1 ZINC000019339823 651289330 /nfs/dbraw/zinc/28/93/30/651289330.db2.gz OIMIAQXGTASMIN-KRWDZBQOSA-N 0 3 275.392 2.881 50 0 CFAAHN CN(Cc1[nH]nc2c1CCCCC2)CC1CCOCC1 ZINC000020149596 651297348 /nfs/dbraw/zinc/29/73/48/651297348.db2.gz SLUXVOYGKINPBV-UHFFFAOYSA-N 0 3 277.412 2.537 50 0 CFAAHN Cc1cc(CN[C@@H](Cc2ccccc2)C(N)=O)c(C)s1 ZINC000032577594 779064606 /nfs/dbraw/zinc/06/46/06/779064606.db2.gz OQXBHKNLXQYFIG-HNNXBMFYSA-N 0 3 288.416 2.551 50 0 CFAAHN 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CCc1nn(C)cc1CN(C)[C@H]1CCC[C@@H]1SC ZINC000097033990 185157747 /nfs/dbraw/zinc/15/77/47/185157747.db2.gz DLQIWNAQSVXMJU-KBPBESRZSA-N 0 3 267.442 2.698 50 0 CFAAHN CN(C[C@H]1CCCCO1)[C@@H](CCO)c1ccccc1 ZINC000096441584 529963454 /nfs/dbraw/zinc/96/34/54/529963454.db2.gz GFANMBXRTJCASX-CVEARBPZSA-N 0 3 263.381 2.611 50 0 CFAAHN C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)[C@@H]1CCCO1 ZINC000075093164 347054293 /nfs/dbraw/zinc/05/42/93/347054293.db2.gz YTXKYKPTAMTDPF-DOMZBBRYSA-N 0 3 271.364 2.734 50 0 CFAAHN C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)[C@@H]1CCCO1 ZINC000075093164 347054296 /nfs/dbraw/zinc/05/42/96/347054296.db2.gz YTXKYKPTAMTDPF-DOMZBBRYSA-N 0 3 271.364 2.734 50 0 CFAAHN CC(C)n1nnnc1CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000097048982 185515435 /nfs/dbraw/zinc/51/54/35/185515435.db2.gz DRXSFCXBBDWFOS-OLZOCXBDSA-N 0 3 273.384 2.536 50 0 CFAAHN Cc1ccc(-n2ccc3nc4c(c(N)c3c2=O)CCC4)cc1 ZINC000004007350 346209528 /nfs/dbraw/zinc/20/95/28/346209528.db2.gz STQYEPQJZWCESQ-UHFFFAOYSA-N 0 3 291.354 2.765 50 0 CFAAHN CCC(CC)(CO)NCc1ccn(-c2cccc(F)c2)n1 ZINC000076040638 347116035 /nfs/dbraw/zinc/11/60/35/347116035.db2.gz XZOOQUSVGPIFEV-UHFFFAOYSA-N 0 3 291.370 2.652 50 0 CFAAHN CC(C)C(=O)N1CC[C@@H](NCc2ccc(Cl)o2)[C@H](C)C1 ZINC000076057452 347116962 /nfs/dbraw/zinc/11/69/62/347116962.db2.gz XFWVNZWFMLNEFS-DGCLKSJQSA-N 0 3 298.814 2.916 50 0 CFAAHN CN[C@@]1(c2ccccc2Cl)CCC[C@@H]1C(=O)OC ZINC000096027566 347700512 /nfs/dbraw/zinc/70/05/12/347700512.db2.gz OQSFGKKBEFIAOR-BXUZGUMPSA-N 0 3 267.756 2.728 50 0 CFAAHN C[C@H](NC[C@@]1(O)CCCc2ccccc21)c1ccncc1 ZINC000097230503 347707685 /nfs/dbraw/zinc/70/76/85/347707685.db2.gz MLRHPNGULYVWEX-KSSFIOAISA-N 0 3 282.387 2.956 50 0 CFAAHN Cn1ccnc1CCN[C@@H]1CCCOc2cc(F)ccc21 ZINC000097238033 347708410 /nfs/dbraw/zinc/70/84/10/347708410.db2.gz MLLKSAZOUKZJEZ-CQSZACIVSA-N 0 3 289.354 2.605 50 0 CFAAHN COc1ccc(C)c(NC(=O)[C@H](C2CC2)N2CCCC2)c1 ZINC000097376420 347709652 /nfs/dbraw/zinc/70/96/52/347709652.db2.gz WYNPLFFJDIRJCS-INIZCTEOSA-N 0 3 288.391 2.817 50 0 CFAAHN CC1=CCC[C@H](C)[C@H]1CN[C@@H]1CCCn2ncnc21 ZINC000170604375 348056091 /nfs/dbraw/zinc/05/60/91/348056091.db2.gz PDMKGYBQJWLPHY-MELADBBJSA-N 0 3 260.385 2.695 50 0 CFAAHN CCN1CCN(c2cccc(NCc3cc[nH]c3)c2)CC1 ZINC000170608682 348056889 /nfs/dbraw/zinc/05/68/89/348056889.db2.gz ATQVBGKUMCBYSQ-UHFFFAOYSA-N 0 3 284.407 2.769 50 0 CFAAHN CC[C@H](C)CN1CCN(Cc2ccc(OC)cc2)CC1 ZINC000170659234 348058419 /nfs/dbraw/zinc/05/84/19/348058419.db2.gz RPQMABYFLGFNOE-HNNXBMFYSA-N 0 3 276.424 2.859 50 0 CFAAHN OC[C@H](NCCO[C@H]1CCCCO1)c1cccc(Cl)c1 ZINC000225531642 348178569 /nfs/dbraw/zinc/17/85/69/348178569.db2.gz IFPXGUMNGVUYPA-GJZGRUSLSA-N 0 3 299.798 2.506 50 0 CFAAHN CN(Cc1cnc(-c2ccccc2)s1)[C@H]1CCN(C)C1 ZINC000230506748 348206052 /nfs/dbraw/zinc/20/60/52/348206052.db2.gz HMWWZBHSSBOAOX-AWEZNQCLSA-N 0 3 287.432 2.946 50 0 CFAAHN Cc1cnc(C2CC2)n1[C@@H]1CCN(Cc2cccnc2)C1 ZINC000409421096 348600719 /nfs/dbraw/zinc/60/07/19/348600719.db2.gz HIYRTICAPBLHOZ-MRXNPFEDSA-N 0 3 282.391 2.911 50 0 CFAAHN 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COc1ccc(CN[C@H]2CCCC[C@@H]2O)c(Cl)c1OC ZINC000110823032 186327839 /nfs/dbraw/zinc/32/78/39/186327839.db2.gz OOTZMUBUJFVREM-RYUDHWBXSA-N 0 3 299.798 2.750 50 0 CFAAHN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000246984535 540189389 /nfs/dbraw/zinc/18/93/89/540189389.db2.gz MAZDZRYBPOFSBI-NJAFHUGGSA-N 0 3 298.430 2.795 50 0 CFAAHN CCC(=O)N1CC[C@H](NCc2ccc(C)o2)[C@@H](CC)C1 ZINC000084736333 540207490 /nfs/dbraw/zinc/20/74/90/540207490.db2.gz RIZZRTHYLDTODB-ZFWWWQNUSA-N 0 3 278.396 2.715 50 0 CFAAHN NC(=O)C1(NCCCc2c(Cl)cccc2Cl)CC1 ZINC000193312772 283281936 /nfs/dbraw/zinc/28/19/36/283281936.db2.gz IHLKSVOWRJGFGR-UHFFFAOYSA-N 0 3 287.190 2.534 50 0 CFAAHN CN(C/C=C/c1ccc(F)cc1)CC(C)(C)CO ZINC000294738173 199160453 /nfs/dbraw/zinc/16/04/53/199160453.db2.gz GYLFXGTULMOPEN-SNAWJCMRSA-N 0 3 251.345 2.789 50 0 CFAAHN Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)ccc1Cl ZINC000177741760 189066904 /nfs/dbraw/zinc/06/69/04/189066904.db2.gz VUULXVYUDRWFAC-ZDUSSCGKSA-N 0 3 278.783 2.569 50 0 CFAAHN CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@H](C)C1 ZINC000095423712 540724268 /nfs/dbraw/zinc/72/42/68/540724268.db2.gz IBGIZIKJCKURKZ-AVGNSLFASA-N 0 3 262.401 2.844 50 0 CFAAHN C[C@H]1OCC[C@@H]1NC(C)(C)c1ccc(F)c(F)c1 ZINC000095991482 540726719 /nfs/dbraw/zinc/72/67/19/540726719.db2.gz HTWLCHYMKNHREK-RNCFNFMXSA-N 0 3 255.308 2.967 50 0 CFAAHN Fc1ccc(/C=C/CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000179468489 189196386 /nfs/dbraw/zinc/19/63/86/189196386.db2.gz DJMLQVGAYZIVRL-VQRJYJFOSA-N 0 3 286.354 2.768 50 0 CFAAHN CCCc1ccc(CN2CCN(C3CCOCC3)CC2)o1 ZINC000216391296 189703753 /nfs/dbraw/zinc/70/37/53/189703753.db2.gz KJRCFGNIQPMLNG-UHFFFAOYSA-N 0 3 292.423 2.529 50 0 CFAAHN COc1cccc(CN(C)CCc2ccccn2)c1OC ZINC000000200555 371555890 /nfs/dbraw/zinc/55/58/90/371555890.db2.gz MGYKYUIHCFUAIJ-UHFFFAOYSA-N 0 3 286.375 2.773 50 0 CFAAHN c1ccc(CCCN2CCN(c3ccccn3)CC2)cc1 ZINC000000025902 371509047 /nfs/dbraw/zinc/50/90/47/371509047.db2.gz QCVDHRLSVUSYNT-UHFFFAOYSA-N 0 3 281.403 2.836 50 0 CFAAHN 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CC[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)C(N)=O ZINC000072281398 176359154 /nfs/dbraw/zinc/35/91/54/176359154.db2.gz FKRBHNYZBUGZAH-GZMMTYOYSA-N 0 3 274.286 2.620 50 0 CFAAHN CC[C@@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000072312054 176367302 /nfs/dbraw/zinc/36/73/02/176367302.db2.gz BTTIJSGYPDLENX-CQSZACIVSA-N 0 3 270.380 2.889 50 0 CFAAHN C[C@@H](O)CCNCc1cc(Cl)ccc1OC(F)F ZINC000078780777 177387919 /nfs/dbraw/zinc/38/79/19/177387919.db2.gz DBMDJZAZPDCHAO-MRVPVSSYSA-N 0 3 279.714 2.802 50 0 CFAAHN CCCc1cc(=O)[n-]c(-c2ccccc2C[NH+]2CCCC2)n1 ZINC000048087862 420501911 /nfs/dbraw/zinc/50/19/11/420501911.db2.gz TVUFKRWVBJFSJZ-UHFFFAOYSA-N 0 3 297.402 2.985 50 0 CFAAHN C[C@@H]1C[C@H](C)CN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000037203322 260158649 /nfs/dbraw/zinc/15/86/49/260158649.db2.gz LSWMVNUKILGFOG-VBQJREDUSA-N 0 3 286.419 2.984 50 0 CFAAHN O=C1C[C@H](NCCC2=CCCCC2)C(=O)N1c1ccccc1 ZINC000019731816 262193406 /nfs/dbraw/zinc/19/34/06/262193406.db2.gz BLKGDUZXYWIPNK-INIZCTEOSA-N 0 3 298.386 2.799 50 0 CFAAHN CC(C)c1ccc(CN(C(=O)[C@@H](C)N)C2CC2)cc1 ZINC000151744519 275738346 /nfs/dbraw/zinc/73/83/46/275738346.db2.gz OWTRQCDMEJVKEI-GFCCVEGCSA-N 0 3 260.381 2.648 50 0 CFAAHN CCCN1CCN(C[C@@H]2CCOc3ccccc32)CC1 ZINC000253417254 276012981 /nfs/dbraw/zinc/01/29/81/276012981.db2.gz TVBJTTRHSTULDU-HNNXBMFYSA-N 0 3 274.408 2.580 50 0 CFAAHN CCc1nc(-c2ccc([C@@H](C)N(C)C)cc2)nn1C ZINC000426440268 276698451 /nfs/dbraw/zinc/69/84/51/276698451.db2.gz KDZSEZNILOEWRY-LLVKDONJSA-N 0 3 258.369 2.667 50 0 CFAAHN CN1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091770600 277035929 /nfs/dbraw/zinc/03/59/29/277035929.db2.gz ZTBZOZNWRJPJMM-KRWDZBQOSA-N 0 3 298.430 2.877 50 0 CFAAHN CCN1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cccc1 ZINC000334160309 279313012 /nfs/dbraw/zinc/31/30/12/279313012.db2.gz AWRZSCOGKGAYJC-CVEARBPZSA-N 0 3 291.439 2.676 50 0 CFAAHN C[C@H]1C[C@H](C)CN(CC(=O)NC2CCCCCC2)C1 ZINC000006008106 279987140 /nfs/dbraw/zinc/98/71/40/279987140.db2.gz DBEVPZXXAIKVSS-KBPBESRZSA-N 0 3 266.429 2.803 50 0 CFAAHN CC[C@@H](C(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000069779532 280069537 /nfs/dbraw/zinc/06/95/37/280069537.db2.gz OSPMOSATSIHIDO-MRXNPFEDSA-N 0 3 274.408 2.734 50 0 CFAAHN O=c1oc2ccccc2c(N2CCCC2)c1CN1CCCC1 ZINC000000236909 280397073 /nfs/dbraw/zinc/39/70/73/280397073.db2.gz YFMUIIMOYGMKRD-UHFFFAOYSA-N 0 3 298.386 2.989 50 0 CFAAHN Cc1ccc2c(c1)CCCN2C(=O)[C@H](N)CC(C)C ZINC000019485974 281051806 /nfs/dbraw/zinc/05/18/06/281051806.db2.gz JVDWIITYIYHMCL-CQSZACIVSA-N 0 3 260.381 2.648 50 0 CFAAHN COc1ccccc1-c1cc(CN[C@@H]2CCSC2)on1 ZINC000534585903 328315214 /nfs/dbraw/zinc/31/52/14/328315214.db2.gz VXSMRTBIWAJOQO-LLVKDONJSA-N 0 3 290.388 2.945 50 0 CFAAHN Cc1ccc2c(c1)c(CN[C@H]1CCCSC1)nn2C ZINC000534649929 328336233 /nfs/dbraw/zinc/33/62/33/328336233.db2.gz SGEFAOQZMUBDKJ-LBPRGKRZSA-N 0 3 275.421 2.867 50 0 CFAAHN C[C@H]1Cc2cc(CNC3CSCCSC3)ccc2O1 ZINC000534650127 328336761 /nfs/dbraw/zinc/33/67/61/328336761.db2.gz LSPHXFCJBBRNNJ-NSHDSACASA-N 0 3 295.473 2.948 50 0 CFAAHN Cc1c(C(=O)NC[C@@H](c2ccccc2C)N(C)C)ccn1C ZINC000534656977 328340780 /nfs/dbraw/zinc/34/07/80/328340780.db2.gz PZYPOBCFIFBZGV-KRWDZBQOSA-N 0 3 299.418 2.675 50 0 CFAAHN C[C@@H]1CC[C@@H](NCc2nnc(C3CCC3)n2C)[C@@H](C)C1 ZINC000195568893 324109434 /nfs/dbraw/zinc/10/94/34/324109434.db2.gz WMUPTCMZBCYMKS-MBNYWOFBSA-N 0 3 276.428 2.997 50 0 CFAAHN CCCN1CCCN(C(=O)Nc2cccc(OC)c2)CC1 ZINC000058152797 327010131 /nfs/dbraw/zinc/01/01/31/327010131.db2.gz YTBLDYVXVZINOE-UHFFFAOYSA-N 0 3 291.395 2.645 50 0 CFAAHN CCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064480404 327039475 /nfs/dbraw/zinc/03/94/75/327039475.db2.gz JTIDKYKNHPDGIA-UHFFFAOYSA-N 0 3 266.772 2.508 50 0 CFAAHN CCCCCCN(C)CC(=O)N[C@H](C)c1cccnc1 ZINC000069622259 327100319 /nfs/dbraw/zinc/10/03/19/327100319.db2.gz VXUNXHAYTCSGCZ-CQSZACIVSA-N 0 3 277.412 2.771 50 0 CFAAHN COc1ccccc1NC(=O)CN(C)C1CCCCC1 ZINC000007786592 534168309 /nfs/dbraw/zinc/16/83/09/534168309.db2.gz LXNXOXYZQJXFBS-UHFFFAOYSA-N 0 3 276.380 2.898 50 0 CFAAHN CC(=O)c1ccc(O[C@@]23CCN(C2)CCC3)cc1C ZINC000067712884 518398773 /nfs/dbraw/zinc/39/87/73/518398773.db2.gz ZEEOFRASDFVFDL-INIZCTEOSA-N 0 3 259.349 2.815 50 0 CFAAHN CCCC[C@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000059931599 521207966 /nfs/dbraw/zinc/20/79/66/521207966.db2.gz FULRPIPCGBVUBY-LBPRGKRZSA-N 0 3 288.313 2.839 50 0 CFAAHN CN(C)CCNCc1ccc(-c2ccccc2F)o1 ZINC000019872350 521788373 /nfs/dbraw/zinc/78/83/73/521788373.db2.gz BMDQCCJNIOFSDO-UHFFFAOYSA-N 0 3 262.328 2.737 50 0 CFAAHN CCc1ccc([C@@H](C)NC[C@H](c2cnn(C)c2)N(C)C)o1 ZINC000096477924 524024957 /nfs/dbraw/zinc/02/49/57/524024957.db2.gz SQAZMTDMSSZNNT-IUODEOHRSA-N 0 3 290.411 2.529 50 0 CFAAHN Cc1cc(CN(C)CCCn2cccn2)ccc1F ZINC000214970767 524661866 /nfs/dbraw/zinc/66/18/66/524661866.db2.gz OFHLXPHQWMMKJU-UHFFFAOYSA-N 0 3 261.344 2.853 50 0 CFAAHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(C)c(C)c2)C1(C)C ZINC000170602234 527873350 /nfs/dbraw/zinc/87/33/50/527873350.db2.gz XQTUZDYBOSXPBN-AEFFLSMTSA-N 0 3 291.435 2.959 50 0 CFAAHN CCC[C@H](C(=O)NC[C@@H]1CCCN1CC)c1ccccn1 ZINC000225807738 527980583 /nfs/dbraw/zinc/98/05/83/527980583.db2.gz IXHZDLVPTWYMTB-GJZGRUSLSA-N 0 3 289.423 2.566 50 0 CFAAHN C[C@@H](NC[C@@H](O)c1ccncc1)c1cc(F)cc(F)c1 ZINC000090712816 566955301 /nfs/dbraw/zinc/95/53/01/566955301.db2.gz CULNHIRAKGELHW-MEBBXXQBSA-N 0 3 278.302 2.744 50 0 CFAAHN c1nc2cc(CNC3CSCCSC3)ccc2[nH]1 ZINC000670452581 567181189 /nfs/dbraw/zinc/18/11/89/567181189.db2.gz LZHOZHUQMLZJDY-UHFFFAOYSA-N 0 3 279.434 2.501 50 0 CFAAHN CCn1nnc(C)c1CN1CCC[C@H](c2ccncc2)CC1 ZINC000952992732 615743096 /nfs/dbraw/zinc/74/30/96/615743096.db2.gz CABZJIHUNCCMPS-HNNXBMFYSA-N 0 3 299.422 2.771 50 0 CFAAHN O=C(c1ccc(F)c(F)c1)N1CCCN(C2CCC2)CC1 ZINC000828152431 617995571 /nfs/dbraw/zinc/99/55/71/617995571.db2.gz CWNLGOUMBVECGV-UHFFFAOYSA-N 0 3 294.345 2.665 50 0 CFAAHN CC(C)c1cc(NC(=O)N2CC(C)(C)NC(C)(C)C2)no1 ZINC000888099583 619132984 /nfs/dbraw/zinc/13/29/84/619132984.db2.gz RHVRYNVTSKEEAV-UHFFFAOYSA-N 0 3 294.399 2.792 50 0 CFAAHN CCCC(=O)O[C@]1(c2ccccc2)CCN(C)[C@H]1C ZINC000261361496 619138109 /nfs/dbraw/zinc/13/81/09/619138109.db2.gz AUMQUVNLMMEFEG-XJKSGUPXSA-N 0 3 261.365 2.949 50 0 CFAAHN C[C@H](c1cccc(F)c1)N1CCC(NC(=O)C2CC2)CC1 ZINC000056284254 622978477 /nfs/dbraw/zinc/97/84/77/622978477.db2.gz ZYJOMOIPTOSKBK-GFCCVEGCSA-N 0 3 290.382 2.877 50 0 CFAAHN CCc1ccccc1CNC(=O)[C@H]1CCCCN1CC ZINC000154290649 624317226 /nfs/dbraw/zinc/31/72/26/624317226.db2.gz KXDCCURDLSDLEC-MRXNPFEDSA-N 0 3 274.408 2.740 50 0 CFAAHN CCN1CCC[C@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC000155122225 624634977 /nfs/dbraw/zinc/63/49/77/624634977.db2.gz OOZUSHYHZBZTJU-AWEZNQCLSA-N 0 3 299.374 2.556 50 0 CFAAHN CC(C)CCCCN[C@H](c1nncn1C)C(C)C ZINC000864087326 637867344 /nfs/dbraw/zinc/86/73/44/637867344.db2.gz SNLMJBMDIGDXRU-ZDUSSCGKSA-N 0 3 252.406 2.928 50 0 CFAAHN COc1cccc(CN2CC[C@@H](c3cnn(C)c3)C2)c1F ZINC000192954992 650612231 /nfs/dbraw/zinc/61/22/31/650612231.db2.gz DHLPKDNSQKBKKX-GFCCVEGCSA-N 0 3 289.354 2.557 50 0 CFAAHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000887268677 647255623 /nfs/dbraw/zinc/25/56/23/647255623.db2.gz RJMTUFHKGKGAFG-YLFCFFPRSA-N 0 3 290.451 2.898 50 0 CFAAHN CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N(C)CC ZINC000822555780 781904093 /nfs/dbraw/zinc/90/40/93/781904093.db2.gz LAVUEWBQYNZUSW-ZDUSSCGKSA-N 0 3 268.788 2.687 50 0 CFAAHN c1cc(N[C@H]2CCOC2)cc(OCCN2CCCCC2)c1 ZINC000096482876 230380503 /nfs/dbraw/zinc/38/05/03/230380503.db2.gz UCHWMUOHHOSOKN-INIZCTEOSA-N 0 3 290.407 2.752 50 0 CFAAHN COCCNC1(c2cccc(Br)c2)CC1 ZINC000096491962 230382585 /nfs/dbraw/zinc/38/25/85/230382585.db2.gz RZHNQHDGVHPYMH-UHFFFAOYSA-N 0 3 270.170 2.674 50 0 CFAAHN Cc1ccc(F)c(NC(=O)N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000095517277 185002812 /nfs/dbraw/zinc/00/28/12/185002812.db2.gz IQCYYHOGOYYIQD-INIZCTEOSA-N 0 3 291.370 2.694 50 0 CFAAHN C[C@@H](C1CC1)N(C)CC(=O)N(Cc1ccsc1)C1CC1 ZINC000095954907 185042108 /nfs/dbraw/zinc/04/21/08/185042108.db2.gz INLBXTJCUGJNGJ-LBPRGKRZSA-N 0 3 292.448 2.969 50 0 CFAAHN c1n[nH]c2c1CCC[C@@H]2NCc1cccc2c1OCCCO2 ZINC000095967396 185046166 /nfs/dbraw/zinc/04/61/66/185046166.db2.gz RROSUNYLLMADCJ-AWEZNQCLSA-N 0 3 299.374 2.738 50 0 CFAAHN C[C@H](CSC(C)(C)C)N[C@H](C)c1cnn(C)c1 ZINC000095968462 185047093 /nfs/dbraw/zinc/04/70/93/185047093.db2.gz PAGNXIWMYKSZRW-GHMZBOCLSA-N 0 3 255.431 2.991 50 0 CFAAHN CCS[C@@H]1CC[C@@]1(O)CN[C@@H](C)c1ccccc1OC ZINC000095968913 185048162 /nfs/dbraw/zinc/04/81/62/185048162.db2.gz NIHUEJFMZJBJOK-APHBMKBZSA-N 0 3 295.448 2.992 50 0 CFAAHN COCCn1nc(C)c([C@H](C)N[C@@H]2CCCSC2)c1C ZINC000095982183 185054085 /nfs/dbraw/zinc/05/40/85/185054085.db2.gz CBGDRGFMBAVKJL-SMDDNHRTSA-N 0 3 297.468 2.693 50 0 CFAAHN Cc1cccc(C(C)(C)NC[C@@H](C)CS(C)(=O)=O)c1 ZINC000095985278 185054824 /nfs/dbraw/zinc/05/48/24/185054824.db2.gz XUYSZMIVPBKIDC-CYBMUJFWSA-N 0 3 283.437 2.500 50 0 CFAAHN C[C@@H](NCc1csc([C@@H]2CCCO2)n1)C1CCOCC1 ZINC000095985375 185055364 /nfs/dbraw/zinc/05/53/64/185055364.db2.gz UHGLYDKBYHOGNG-RISCZKNCSA-N 0 3 296.436 2.899 50 0 CFAAHN CC(C)N1CC[C@H](N[C@@H](c2ccccc2)C2CC2)C1=O ZINC000095987463 185055826 /nfs/dbraw/zinc/05/58/26/185055826.db2.gz MVBDHEHWANBXLP-HOTGVXAUSA-N 0 3 272.392 2.737 50 0 CFAAHN CC(C)C(=O)NC1CCN(CCCc2ccsc2)CC1 ZINC000096008309 185064347 /nfs/dbraw/zinc/06/43/47/185064347.db2.gz XNEPTHBLXMELHX-UHFFFAOYSA-N 0 3 294.464 2.917 50 0 CFAAHN C/C(=C/c1ccccc1)CNCc1cccc(C(N)=O)c1 ZINC000096032909 185068547 /nfs/dbraw/zinc/06/85/47/185068547.db2.gz XKZFPFQDTPFKBF-UVTDQMKNSA-N 0 3 280.371 2.979 50 0 CFAAHN CCN1CC[C@H](c2nc(-c3ccncc3)nn2C(C)C)C1 ZINC000096148107 185106842 /nfs/dbraw/zinc/10/68/42/185106842.db2.gz NARJJSDQFKDVJU-AWEZNQCLSA-N 0 3 285.395 2.730 50 0 CFAAHN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H](C)Cn1cncn1 ZINC000097032476 185155738 /nfs/dbraw/zinc/15/57/38/185155738.db2.gz ISLPJLLWENTGAM-IPYPFGDCSA-N 0 3 270.380 2.813 50 0 CFAAHN CC[S@@](=O)[C@H]1CCC[C@H](NCc2scnc2C)C1 ZINC000096455603 529450199 /nfs/dbraw/zinc/45/01/99/529450199.db2.gz URVHQZPJVOGIPC-PZROIBLQSA-N 0 3 286.466 2.621 50 0 CFAAHN CCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2CC)o1 ZINC000069624052 346897431 /nfs/dbraw/zinc/89/74/31/346897431.db2.gz CIVVQHRXKYUSAJ-GJZGRUSLSA-N 0 3 290.407 2.931 50 0 CFAAHN CCOCCN1CCN(c2cccc(OC)c2)C(C)(C)C1 ZINC000823331707 781924311 /nfs/dbraw/zinc/92/43/11/781924311.db2.gz NCDUQRDMOBQAGZ-UHFFFAOYSA-N 0 3 292.423 2.632 50 0 CFAAHN Cc1noc(C)c1CN[C@@H](C)CN1CCc2ccccc2C1 ZINC000067955225 282387105 /nfs/dbraw/zinc/38/71/05/282387105.db2.gz YKBLLWFDODZXSQ-ZDUSSCGKSA-N 0 3 299.418 2.828 50 0 CFAAHN CN(CC1CCN(C)CC1)C(=S)Nc1ccccc1 ZINC000013577114 282393919 /nfs/dbraw/zinc/39/39/19/282393919.db2.gz NBUNYLMNCMFLGF-UHFFFAOYSA-N 0 3 277.437 2.657 50 0 CFAAHN Cc1noc(C)c1CNC[C@@H](O)c1ccc(Cl)cc1 ZINC000096465878 232179476 /nfs/dbraw/zinc/17/94/76/232179476.db2.gz GUCHOEMJAJULPY-CQSZACIVSA-N 0 3 280.755 2.768 50 0 CFAAHN Cc1noc(C)c1CNC[C@H](O)c1ccc(Cl)cc1 ZINC000096465876 232180241 /nfs/dbraw/zinc/18/02/41/232180241.db2.gz GUCHOEMJAJULPY-AWEZNQCLSA-N 0 3 280.755 2.768 50 0 CFAAHN C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@]1(F)CCNC1 ZINC000299740452 539512170 /nfs/dbraw/zinc/51/21/70/539512170.db2.gz ZZCCDGAYMGUORZ-IINYFYTJSA-N 0 3 284.762 2.561 50 0 CFAAHN NCc1ccc(Br)cc1OCC(F)(F)F ZINC000036985449 346325925 /nfs/dbraw/zinc/32/59/25/346325925.db2.gz UHTZJALPVMYMAV-UHFFFAOYSA-N 0 3 284.075 2.849 50 0 CFAAHN O=C(C1=CCN(Cc2ccccc2)CC1)N1CCCCC1 ZINC000064541799 346722515 /nfs/dbraw/zinc/72/25/15/346722515.db2.gz KEUMCFKSRRDFOG-UHFFFAOYSA-N 0 3 284.403 2.831 50 0 CFAAHN CC(=O)NC1CCN(c2c(C)c(C)nc3ccccc32)CC1 ZINC000096009701 347700374 /nfs/dbraw/zinc/70/03/74/347700374.db2.gz ZFGOJSSINZVBSN-UHFFFAOYSA-N 0 3 297.402 2.957 50 0 CFAAHN CCOC(=O)[C@]1(N2CCCCC2)CCC[C@@H](C)C1 ZINC000096026499 347700426 /nfs/dbraw/zinc/70/04/26/347700426.db2.gz VEMHIJAWDWPELQ-HIFRSBDPSA-N 0 3 253.386 2.984 50 0 CFAAHN Cc1ccc(C)c([C@@H](O)CN(C)[C@H]2CCSC2)c1 ZINC000110696394 347749006 /nfs/dbraw/zinc/74/90/06/347749006.db2.gz KUQNDSSCFWRYIV-ZFWWWQNUSA-N 0 3 265.422 2.774 50 0 CFAAHN O[C@@H](CN[C@H]1CCCOc2cc(F)ccc21)c1ccco1 ZINC000170073235 348053659 /nfs/dbraw/zinc/05/36/59/348053659.db2.gz MUVOVEAYRGTMJS-KBPBESRZSA-N 0 3 291.322 2.956 50 0 CFAAHN COc1cccc(-c2cc(CNC3CCOCC3)on2)c1 ZINC000584890553 348729422 /nfs/dbraw/zinc/72/94/22/348729422.db2.gz APHVVRLPIRAUCC-UHFFFAOYSA-N 0 3 288.347 2.619 50 0 CFAAHN O=C(Cc1ccsc1)N1CCN(CC2CCCC2)CC1 ZINC000584898361 348731481 /nfs/dbraw/zinc/73/14/81/348731481.db2.gz OHTFDNKLBNKDAL-UHFFFAOYSA-N 0 3 292.448 2.625 50 0 CFAAHN Cc1nc2cc(CNC3CSCCSC3)ccc2[nH]1 ZINC000584902624 348733186 /nfs/dbraw/zinc/73/31/86/348733186.db2.gz QSJWDVXRTZDGRP-UHFFFAOYSA-N 0 3 293.461 2.810 50 0 CFAAHN Fc1cc(F)cc(C2(N[C@@H]3CN4CCC3CC4)CC2)c1 ZINC000584903815 348733568 /nfs/dbraw/zinc/73/35/68/348733568.db2.gz HHLPBJHXFPTRHH-OAHLLOKOSA-N 0 3 278.346 2.638 50 0 CFAAHN COc1ccc(CNC[C@H]2CCCO2)c(Cl)c1OC ZINC000106366474 186110996 /nfs/dbraw/zinc/11/09/96/186110996.db2.gz XBMJUCVQGPDEGO-LLVKDONJSA-N 0 3 285.771 2.626 50 0 CFAAHN 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374980171 /nfs/dbraw/zinc/98/01/71/374980171.db2.gz SFFJUSUJPIVFKS-UHFFFAOYSA-N 0 3 269.392 2.762 50 0 CFAAHN COc1ccc2c(c1)OC[C@H](N[C@@H](C)c1ccccn1)C2 ZINC000090964696 375036902 /nfs/dbraw/zinc/03/69/02/375036902.db2.gz OEDCDHIJQSYBDY-GXTWGEPZSA-N 0 3 284.359 2.745 50 0 CFAAHN Cc1ccc(C)c([C@@H](O)CN(C)[C@@H]2CCSC2)c1 ZINC000089937499 374971999 /nfs/dbraw/zinc/97/19/99/374971999.db2.gz KUQNDSSCFWRYIV-HIFRSBDPSA-N 0 3 265.422 2.774 50 0 CFAAHN CN(Cc1ccc(OC(F)F)c(F)c1)C[C@@H]1CCOC1 ZINC000093839672 375318415 /nfs/dbraw/zinc/31/84/15/375318415.db2.gz CYNRNBRQBRZBSI-NSHDSACASA-N 0 3 289.297 2.895 50 0 CFAAHN CC(C)[C@@H](O)C1(CN[C@@H](C)c2cncc(F)c2)CC1 ZINC000095988223 375464531 /nfs/dbraw/zinc/46/45/31/375464531.db2.gz YCTWZOQCTDRTSM-SMDDNHRTSA-N 0 3 266.360 2.668 50 0 CFAAHN CCc1nn(C)c(CC)c1CN[C@@H]1CCCC[C@@H]1OC ZINC000095988284 375465409 /nfs/dbraw/zinc/46/54/09/375465409.db2.gz UMXCCXSXAGKWHK-ZBFHGGJFSA-N 0 3 279.428 2.592 50 0 CFAAHN CCCCNC(=O)c1cccc(-c2cc(N)ccn2)c1 ZINC000096137467 375468273 /nfs/dbraw/zinc/46/82/73/375468273.db2.gz LTIKWLNGZAFMHB-UHFFFAOYSA-N 0 3 269.348 2.861 50 0 CFAAHN c1cc(-c2ccc(CN3CCC[C@@]4(CCOC4)C3)o2)n[nH]1 ZINC000095358396 375419304 /nfs/dbraw/zinc/41/93/04/375419304.db2.gz KMNZWPOGQDHRSF-MRXNPFEDSA-N 0 3 287.363 2.672 50 0 CFAAHN Cc1cncc(-c2ccccc2OCCN(C)C)c1 ZINC000096152358 375470105 /nfs/dbraw/zinc/47/01/05/375470105.db2.gz IFFRMLWXRTZZJH-UHFFFAOYSA-N 0 3 256.349 2.997 50 0 CFAAHN Cc1nc2cc(CNc3cc(C(C)C)nc(N)n3)ccc2[nH]1 ZINC000095362329 375422024 /nfs/dbraw/zinc/42/20/24/375422024.db2.gz ISPICHXUYMJIBU-UHFFFAOYSA-N 0 3 296.378 2.979 50 0 CFAAHN Cc1nc2ccc(CNc3cc(C(C)C)nc(N)n3)cc2[nH]1 ZINC000095362329 375422029 /nfs/dbraw/zinc/42/20/29/375422029.db2.gz ISPICHXUYMJIBU-UHFFFAOYSA-N 0 3 296.378 2.979 50 0 CFAAHN CCCN1C[C@H]2CC[C@@H]1CN(c1ncccc1F)C2 ZINC000095373863 375422699 /nfs/dbraw/zinc/42/26/99/375422699.db2.gz UPBAIQKGYHVUPF-CHWSQXEVSA-N 0 3 263.360 2.531 50 0 CFAAHN CCCc1nnc(N2C[C@@H]3CC[C@H](C2)N(CCC)C3)s1 ZINC000095370655 375423367 /nfs/dbraw/zinc/42/33/67/375423367.db2.gz WSYVGNBUZRKFGU-CHWSQXEVSA-N 0 3 294.468 2.801 50 0 CFAAHN CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1occc1C ZINC000095402524 375432090 /nfs/dbraw/zinc/43/20/90/375432090.db2.gz KARGBLSOTYVYDV-DZGCQCFKSA-N 0 3 290.407 2.715 50 0 CFAAHN CC(C)COC[C@H](NC1CCOCC1)c1ccco1 ZINC000095421509 375440366 /nfs/dbraw/zinc/44/03/66/375440366.db2.gz MJRDLLRRKAPMQD-AWEZNQCLSA-N 0 3 267.369 2.762 50 0 CFAAHN COCc1nc2n(n1)CCC[C@H]2NC1CCCCCC1 ZINC000095423821 375442623 /nfs/dbraw/zinc/44/26/23/375442623.db2.gz VCXPWAHJOLAPIQ-CYBMUJFWSA-N 0 3 278.400 2.572 50 0 CFAAHN c1ccc(CNC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)nc1 ZINC000095425784 375442728 /nfs/dbraw/zinc/44/27/28/375442728.db2.gz KLPPSXGILJDLRS-BBWFWOEESA-N 0 3 250.345 2.757 50 0 CFAAHN c1ncn(CCN2C[C@H]3CCCC[C@@]32c2ccccc2)n1 ZINC000095426354 375444243 /nfs/dbraw/zinc/44/42/43/375444243.db2.gz BKTFDQBXFAUFBV-IAGOWNOFSA-N 0 3 282.391 2.679 50 0 CFAAHN Fc1ccc2c(c1)CN(CCc1ccncc1)CC2 ZINC000095432349 375447176 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CCOc1ccccc1CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000097034449 185157351 /nfs/dbraw/zinc/15/73/51/185157351.db2.gz WVKSCYXCZIRZBU-BMFZPTHFSA-N 0 3 275.392 2.988 50 0 CFAAHN Cc1ccc([C@H]2CSCCN2CCCn2ccnc2)o1 ZINC000097034126 185157838 /nfs/dbraw/zinc/15/78/38/185157838.db2.gz YEGPGZFQWOVIRU-CQSZACIVSA-N 0 3 291.420 2.965 50 0 CFAAHN Cc1nccn1CCN1Cc2ccccc2OC(C)(C)C1 ZINC000289029503 282208323 /nfs/dbraw/zinc/20/83/23/282208323.db2.gz OPPMPKZZFXTUES-UHFFFAOYSA-N 0 3 285.391 2.865 50 0 CFAAHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cnc(C2CC2)s1 ZINC000075583837 347085896 /nfs/dbraw/zinc/08/58/96/347085896.db2.gz WDWKWMQEYWHYLJ-LBPRGKRZSA-N 0 3 295.452 2.727 50 0 CFAAHN c1csc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000039348995 346343339 /nfs/dbraw/zinc/34/33/39/346343339.db2.gz HKCIJFJXKPDDOG-GJZGRUSLSA-N 0 3 285.416 2.711 50 0 CFAAHN O=C(N[C@H]1CCc2ccccc21)N1CC[C@@H](N2CCCC2)C1 ZINC000066176414 346749271 /nfs/dbraw/zinc/74/92/71/346749271.db2.gz UTZGPSBONYRDNX-WBVHZDCISA-N 0 3 299.418 2.554 50 0 CFAAHN 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185048556 /nfs/dbraw/zinc/04/85/56/185048556.db2.gz ANKDDOJPIPLTHV-SECBINFHSA-N 0 3 286.297 2.716 50 0 CFAAHN C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1ccccn1 ZINC000095978199 185052492 /nfs/dbraw/zinc/05/24/92/185052492.db2.gz MCZXZEQNCQMISU-MLGOLLRUSA-N 0 3 274.339 2.823 50 0 CFAAHN CC[C@H](C(=O)NCc1c(F)ccc(C)c1F)N(C)CC ZINC000823061352 781919597 /nfs/dbraw/zinc/91/95/97/781919597.db2.gz RPQXWTWEEBTPKO-CYBMUJFWSA-N 0 3 284.350 2.620 50 0 CFAAHN C[C@H](NC[C@@]1(O)CCOC1)c1cc2cc(Cl)ccc2o1 ZINC000097034794 185157157 /nfs/dbraw/zinc/15/71/57/185157157.db2.gz WISQZGWBYAHXPH-BONVTDFDSA-N 0 3 295.766 2.888 50 0 CFAAHN Cn1cccc1CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000097035067 185157677 /nfs/dbraw/zinc/15/76/77/185157677.db2.gz DVNASVBIHIUCCY-JKSUJKDBSA-N 0 3 292.329 2.923 50 0 CFAAHN FC(F)(F)[C@H]1CCCC[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC000097101731 185531833 /nfs/dbraw/zinc/53/18/33/185531833.db2.gz VPYATQONFUMORV-VHSXEESVSA-N 0 3 288.317 2.893 50 0 CFAAHN COc1ccccc1[C@@H]1NCC[C@]2(O)CCCC[C@H]12 ZINC000008553096 346224978 /nfs/dbraw/zinc/22/49/78/346224978.db2.gz DWFHSNCUMBKUCN-VNQPRFMTSA-N 0 3 261.365 2.651 50 0 biogenic,in-vitro CFAAHN COc1cc(NC(=O)[C@H](N)C(C)C)cc2ccccc21 ZINC000019892842 346243155 /nfs/dbraw/zinc/24/31/55/346243155.db2.gz GRDPQPREOTZYRW-OAHLLOKOSA-N 0 3 272.348 2.770 50 0 CFAAHN COc1cccc([C@@H]2NCC[C@@]3(O)CCCC[C@H]23)c1 ZINC000043157555 346380159 /nfs/dbraw/zinc/38/01/59/346380159.db2.gz LKOGBRXABVWQOD-PMPSAXMXSA-N 0 3 261.365 2.651 50 0 CFAAHN CCOc1cc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)ccc1O ZINC000043741601 346386987 /nfs/dbraw/zinc/38/69/87/346386987.db2.gz FJRAFGQYLIQWHC-XOKHGSTOSA-N 0 3 291.391 2.747 50 0 CFAAHN CCn1cc(-c2ccc(C)cc2)cc1C(=O)NCCN(C)C ZINC000065170566 346730624 /nfs/dbraw/zinc/73/06/24/346730624.db2.gz BABFFLFHKLTVRK-UHFFFAOYSA-N 0 3 299.418 2.775 50 0 CFAAHN CC(C)(CCO)CNCc1cnc(-c2cccnc2)s1 ZINC000080337750 347354703 /nfs/dbraw/zinc/35/47/03/347354703.db2.gz VUNNEEKNHLIEQR-UHFFFAOYSA-N 0 3 291.420 2.703 50 0 CFAAHN CCC(=O)O[C@]1(c2ccccc2)CCN(C)[C@@H]1CC ZINC000095882807 347699202 /nfs/dbraw/zinc/69/92/02/347699202.db2.gz UOTCUJGGSUJBJM-ZBFHGGJFSA-N 0 3 261.365 2.949 50 0 CFAAHN CSc1cccc(N2CCN(CCCCCO)CC2)c1 ZINC000096026771 347700418 /nfs/dbraw/zinc/70/04/18/347700418.db2.gz LGDFYVBPWQWOFI-UHFFFAOYSA-N 0 3 294.464 2.693 50 0 CFAAHN COc1cc([C@@H](C)NC2(C)CCC2)ccc1S(C)(=O)=O ZINC000097232345 347707857 /nfs/dbraw/zinc/70/78/57/347707857.db2.gz UHWXDXQJXKTAOY-LLVKDONJSA-N 0 3 297.420 2.692 50 0 CFAAHN Cc1cnn(C[C@@H]2CCCN2[C@H](C)c2cccnc2)c1 ZINC000106843620 347733322 /nfs/dbraw/zinc/73/33/22/347733322.db2.gz BUSJYNTVXAYMST-ZBFHGGJFSA-N 0 3 270.380 2.812 50 0 CFAAHN COC(=O)c1ccc(CN(C)[C@@H]2CCC[C@H]2SC)o1 ZINC000110642506 347749312 /nfs/dbraw/zinc/74/93/12/347749312.db2.gz JSDFQMKOYPWYCF-DGCLKSJQSA-N 0 3 283.393 2.782 50 0 CFAAHN CCN1CCC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC000172019960 348085030 /nfs/dbraw/zinc/08/50/30/348085030.db2.gz QYIWTFFMECCFCF-LBPRGKRZSA-N 0 3 272.348 2.647 50 0 CFAAHN O=C(N1CCCC1)C1(F)CCN(Cc2ccccc2)CC1 ZINC000409421523 348600413 /nfs/dbraw/zinc/60/04/13/348600413.db2.gz IABHAHUMTDZCGE-UHFFFAOYSA-N 0 3 290.382 2.613 50 0 CFAAHN CC[C@@H](NC1CSCCSC1)c1ccncc1 ZINC000584895083 348729857 /nfs/dbraw/zinc/72/98/57/348729857.db2.gz MEBJWYYYWXJZML-CYBMUJFWSA-N 0 3 268.451 2.971 50 0 CFAAHN CC[C@H](CN(C)C)n1cnc2c(C)cc(Cl)cc2c1=O ZINC000584894039 348730399 /nfs/dbraw/zinc/73/03/99/348730399.db2.gz NAMRCHDILWJULG-GFCCVEGCSA-N 0 3 293.798 2.871 50 0 CFAAHN OC1(c2ccc(Cl)cc2)CCN([C@@H]2CCCOC2)CC1 ZINC000584901859 348732675 /nfs/dbraw/zinc/73/26/75/348732675.db2.gz YWHQSNIXAKAGQH-OAHLLOKOSA-N 0 3 295.810 2.802 50 0 CFAAHN Brc1ccccc1CNCC1CSC1 ZINC000585136278 348735515 /nfs/dbraw/zinc/73/55/15/348735515.db2.gz ZLNJTJZKRYJROM-UHFFFAOYSA-N 0 3 272.211 2.902 50 0 CFAAHN C[C@@H](N[C@@H](C)CC1CCOCC1)C(=O)Nc1ccccc1 ZINC000089615153 179829991 /nfs/dbraw/zinc/82/99/91/179829991.db2.gz LQQICLSMIWSVQU-UONOGXRCSA-N 0 3 290.407 2.808 50 0 CFAAHN CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)cc1F)C2 ZINC000091770045 180249161 /nfs/dbraw/zinc/24/91/61/180249161.db2.gz QRSNUYMUIWABOH-ZYHUDNBSSA-N 0 3 296.773 2.645 50 0 CFAAHN COCCC[C@@]1(CO)CCCN(Cc2ccsc2)C1 ZINC000091896215 180281915 /nfs/dbraw/zinc/28/19/15/180281915.db2.gz JFKPXPQXZTUGDB-HNNXBMFYSA-N 0 3 283.437 2.749 50 0 CFAAHN COCCC[C@]1(CO)CCCN(Cc2ccsc2)C1 ZINC000091896210 180282574 /nfs/dbraw/zinc/28/25/74/180282574.db2.gz JFKPXPQXZTUGDB-OAHLLOKOSA-N 0 3 283.437 2.749 50 0 CFAAHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccccn2)C1 ZINC000106135339 186104186 /nfs/dbraw/zinc/10/41/86/186104186.db2.gz SKEQQMGQGOCORZ-GDBMZVCRSA-N 0 3 295.386 2.647 50 0 CFAAHN CCOC[C@@H](O)CN(CC)[C@H](C)c1ccc(F)cc1 ZINC000106853135 186142354 /nfs/dbraw/zinc/14/23/54/186142354.db2.gz JHNOOEYTEMPGBU-DOMZBBRYSA-N 0 3 269.360 2.606 50 0 CFAAHN OC[C@@H]1CCCN1Cc1cccc(OCc2ccccn2)c1 ZINC000092456065 180388397 /nfs/dbraw/zinc/38/83/97/180388397.db2.gz KXAFVBUQVNOQEY-KRWDZBQOSA-N 0 3 298.386 2.617 50 0 CFAAHN CC(C)c1ccc(CCNC[C@@H]2CCCS2(=O)=O)cc1 ZINC000123116275 187072439 /nfs/dbraw/zinc/07/24/39/187072439.db2.gz LCFUFTCCBALQRV-INIZCTEOSA-N 0 3 295.448 2.519 50 0 CFAAHN CSc1ccc(CN(C)C(=O)[C@H](N)C(C)(C)C)cc1 ZINC000123338955 187086077 /nfs/dbraw/zinc/08/60/77/187086077.db2.gz CRHXZMVCQTXOCB-ZDUSSCGKSA-N 0 3 280.437 2.740 50 0 CFAAHN C[C@@H]1C[C@@H](N[C@H]2CCC(=O)N(C)C2)c2ccccc2S1 ZINC000685939679 540020542 /nfs/dbraw/zinc/02/05/42/540020542.db2.gz JXDLMNARVYJALB-MBNYWOFBSA-N 0 3 290.432 2.822 50 0 CFAAHN CC[C@H](NC[C@@H](C)[S@](C)=O)c1ccccc1F ZINC000166179019 188635765 /nfs/dbraw/zinc/63/57/65/188635765.db2.gz RUVLDPYXCXHSNK-ANTHHZPCSA-N 0 3 257.374 2.633 50 0 CFAAHN CC(C)C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000170664264 188682035 /nfs/dbraw/zinc/68/20/35/188682035.db2.gz GSKAWRLSDSDVIA-UHFFFAOYSA-N 0 3 270.417 2.879 50 0 CFAAHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccnc(Cl)c1 ZINC000083704282 540183556 /nfs/dbraw/zinc/18/35/56/540183556.db2.gz GPMYXZOTTKBVSX-TZMCWYRMSA-N 0 3 279.815 2.794 50 0 CFAAHN CC[C@@](C)(CC(=O)OC)NCc1ccncc1Cl ZINC000084721130 540206898 /nfs/dbraw/zinc/20/68/98/540206898.db2.gz UMFWZOSTPZXGKP-ZDUSSCGKSA-N 0 3 270.760 2.556 50 0 CFAAHN C[C@H]1OCC[C@H]1NC(C)(C)c1ccc(F)c(F)c1 ZINC000095991480 540726317 /nfs/dbraw/zinc/72/63/17/540726317.db2.gz HTWLCHYMKNHREK-NOZJJQNGSA-N 0 3 255.308 2.967 50 0 CFAAHN CNCc1cc(-c2ccc(Br)cc2F)n[nH]1 ZINC000132191075 540723007 /nfs/dbraw/zinc/72/30/07/540723007.db2.gz WBQMDMIUKDYMGU-UHFFFAOYSA-N 0 3 284.132 2.698 50 0 CFAAHN OC[C@H]1CCCN1CC1=Cc2cc(Cl)ccc2OC1 ZINC000092470737 540723051 /nfs/dbraw/zinc/72/30/51/540723051.db2.gz BLRITIVJTINOEY-CQSZACIVSA-N 0 3 279.767 2.573 50 0 CFAAHN CN1CC[C@](C)(c2ncnn2-c2ccccc2Cl)C1 ZINC000670459142 541002775 /nfs/dbraw/zinc/00/27/75/541002775.db2.gz DLXODVDKSJWPRX-AWEZNQCLSA-N 0 3 276.771 2.514 50 0 CFAAHN CC(C)(O)[C@H]1CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000670469734 541008641 /nfs/dbraw/zinc/00/86/41/541008641.db2.gz RYUAAYGSHNLITG-ZDUSSCGKSA-N 0 3 258.365 2.761 50 0 CFAAHN FC(F)(F)CCCN1CCC(c2cc[nH]n2)CC1 ZINC000670471405 541010005 /nfs/dbraw/zinc/01/00/05/541010005.db2.gz LULRJVPJDNPTJU-UHFFFAOYSA-N 0 3 261.291 2.932 50 0 CFAAHN Cc1[nH]nc2c1CN(C[C@H](C)c1ccccc1)CC2 ZINC000670473133 541011320 /nfs/dbraw/zinc/01/13/20/541011320.db2.gz ZSOFTGYADQOLFN-LBPRGKRZSA-N 0 3 255.365 2.880 50 0 CFAAHN Cc1n[nH]c2c1CN(C[C@H](C)c1ccccc1)CC2 ZINC000670473133 541011321 /nfs/dbraw/zinc/01/13/21/541011321.db2.gz ZSOFTGYADQOLFN-LBPRGKRZSA-N 0 3 255.365 2.880 50 0 CFAAHN CN1CCC(c2nnc3sc(-c4ccccc4)nn32)CC1 ZINC000823765922 781938125 /nfs/dbraw/zinc/93/81/25/781938125.db2.gz CNDMSZTZLMPPGI-UHFFFAOYSA-N 0 3 299.403 2.662 50 0 CFAAHN CCOC(=O)[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000000200682 371556068 /nfs/dbraw/zinc/55/60/68/371556068.db2.gz OZXIEYSSLNEUEL-GFCCVEGCSA-N 0 3 253.367 2.523 50 0 CFAAHN CN(C)CCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000094296 371528316 /nfs/dbraw/zinc/52/83/16/371528316.db2.gz FUJVDDLWYRCUSK-UHFFFAOYSA-N 0 3 268.360 2.645 50 0 CFAAHN Cc1ccc(Cc2cnc(C[NH+](C)C)c([O-])c2)cc1 ZINC000000186994 371552868 /nfs/dbraw/zinc/55/28/68/371552868.db2.gz FHXCLLBOQQDNRK-UHFFFAOYSA-N 0 3 256.349 2.748 50 0 CFAAHN COC[C@@H](C)NCc1ccc(OC)c(Br)c1 ZINC000000275032 371575140 /nfs/dbraw/zinc/57/51/40/371575140.db2.gz XOIGPIHILBZHIL-SECBINFHSA-N 0 3 288.185 2.582 50 0 CFAAHN Cc1ccccc1CN(CCO)Cc1ccccc1 ZINC000000277448 371576941 /nfs/dbraw/zinc/57/69/41/371576941.db2.gz HYCHBZXKVGZCLP-UHFFFAOYSA-N 0 3 255.361 2.990 50 0 CFAAHN COc1cc(C[C@H]2CC(C)=CCN2C)cc(OC)c1OC ZINC000000387953 371602558 /nfs/dbraw/zinc/60/25/58/371602558.db2.gz TZHZEVMJGGQMTC-CQSZACIVSA-N 0 3 291.391 2.905 50 0 CFAAHN Cc1ccc(CN2CCC(C(=O)NC(C)C)CC2)cc1 ZINC000000819310 371652629 /nfs/dbraw/zinc/65/26/29/371652629.db2.gz SRHMETOJWQIBPS-UHFFFAOYSA-N 0 3 274.408 2.732 50 0 CFAAHN CCCCNc1ccc(C(=O)OCCN(C)C)cc1 ZINC000001530811 371679696 /nfs/dbraw/zinc/67/96/96/371679696.db2.gz GKCBAIGFKIBETG-UHFFFAOYSA-N 0 3 264.369 2.617 50 0 fda CFAAHN C[C@@H](CN1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000002580993 371740347 /nfs/dbraw/zinc/74/03/47/371740347.db2.gz SRLKSFOHRPUQLI-AWEZNQCLSA-N 0 3 276.380 2.739 50 0 CFAAHN CCOC(=O)C[C@@H](N)c1cc(Cl)cc(Cl)c1 ZINC000002540655 371735092 /nfs/dbraw/zinc/73/50/92/371735092.db2.gz VEXKYYBQZJWWSL-SNVBAGLBSA-N 0 3 262.136 2.946 50 0 CFAAHN CC1=C[C@H](C)C(=O)N(C[C@H](C)N2CCCC2)C(C)=C1 ZINC000001721918 371701656 /nfs/dbraw/zinc/70/16/56/371701656.db2.gz SJFGMTIVTZSZIV-ZFWWWQNUSA-N 0 3 262.397 2.799 50 0 CFAAHN COc1ccccc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000003318113 371791431 /nfs/dbraw/zinc/79/14/31/371791431.db2.gz XUBRZIFGLLYGQT-MRXNPFEDSA-N 0 3 298.386 2.728 50 0 CFAAHN CC(C)c1ccc(OCCOCCN(C)C)cc1 ZINC000002822626 371757531 /nfs/dbraw/zinc/75/75/31/371757531.db2.gz PBAHDIDEXBYUEP-UHFFFAOYSA-N 0 3 251.370 2.767 50 0 CFAAHN CCC[C@](O)(CCN(C)C)c1ccc(OC)cc1 ZINC000002922699 371765112 /nfs/dbraw/zinc/76/51/12/371765112.db2.gz XRWKTLGPGSHZEC-HNNXBMFYSA-N 0 3 251.370 2.635 50 0 CFAAHN Cc1cccc(NC(=O)C2=CC3C=CC=C[C@@H]3OC2=O)c1C ZINC000004078889 371831375 /nfs/dbraw/zinc/83/13/75/371831375.db2.gz YKBNTXIBIKYOBQ-CJNGLKHVSA-N 0 3 295.338 2.836 50 0 CFAAHN CCC(=O)O[C@]1(c2ccccc2)CCN(C)[C@H](C)C1 ZINC000003684013 371816346 /nfs/dbraw/zinc/81/63/46/371816346.db2.gz DJQARZCZCLCJFV-CZUORRHYSA-N 0 3 261.365 2.949 50 0 CFAAHN COc1ccc2nc(Nc3nc4cc[nH]cc-4n3)[nH]c2c1 ZINC000003850520 371821191 /nfs/dbraw/zinc/82/11/91/371821191.db2.gz HVOODQLDQHQTHE-UHFFFAOYSA-N 0 3 280.291 2.586 50 0 CFAAHN Cc1ccccc1[C@@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000004705394 371874325 /nfs/dbraw/zinc/87/43/25/371874325.db2.gz UWJMWQSMLMAMEF-CQSZACIVSA-N 0 3 277.331 2.632 50 0 CFAAHN CCOc1c(CN[C@@H](CC)CO)cc(Cl)cc1OC ZINC000010474289 371910043 /nfs/dbraw/zinc/91/00/43/371910043.db2.gz OHVNVFLPPUMCCK-LBPRGKRZSA-N 0 3 287.787 2.608 50 0 CFAAHN C/C=C(\C)CN[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000012470466 371964662 /nfs/dbraw/zinc/96/46/62/371964662.db2.gz RYEBLKYZVGGGER-JUNHHFQASA-N 0 3 290.382 2.525 50 0 CFAAHN CCCCN1C(=O)CC[C@@H]2CN(Cc3ccco3)CC[C@@H]21 ZINC000012125753 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/nfs/dbraw/zinc/11/61/57/372116157.db2.gz FWYRCAYEZAECOT-IYBDPMFKSA-N 0 3 288.435 2.760 50 0 CFAAHN NC[C@H](c1ccccc1)N1CCC(c2ccccc2)=N1 ZINC000015109896 372080308 /nfs/dbraw/zinc/08/03/08/372080308.db2.gz FFEOKROBRASMSL-QGZVFWFLSA-N 0 3 265.360 2.796 50 0 CFAAHN CCCn1ncc(CN[C@H]2COc3ccccc3C2)c1C ZINC000019225143 372151321 /nfs/dbraw/zinc/15/13/21/372151321.db2.gz LWQPRLNPLBTVFU-MRXNPFEDSA-N 0 3 285.391 2.695 50 0 CFAAHN CSc1ccc(CN2CCN(C(C)C)CC2)cc1 ZINC000019359607 372156731 /nfs/dbraw/zinc/15/67/31/372156731.db2.gz SNBMSJOGJXNNHJ-UHFFFAOYSA-N 0 3 264.438 2.935 50 0 CFAAHN CC1CCC(N2CCN(Cc3ccncc3)CC2)CC1 ZINC000019495955 372168179 /nfs/dbraw/zinc/16/81/79/372168179.db2.gz IIICGYOSUCJRBF-UHFFFAOYSA-N 0 3 273.424 2.778 50 0 CFAAHN Cc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000020102909 372233073 /nfs/dbraw/zinc/23/30/73/372233073.db2.gz DPELQOMGIMLYDU-UHFFFAOYSA-N 0 3 286.419 2.829 50 0 CFAAHN COc1ccc([C@H](CNC(=O)C(C)C)N2CCCC2)cc1 ZINC000025435092 372301162 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373981958 /nfs/dbraw/zinc/98/19/58/373981958.db2.gz PDMXBNCITQACAB-INIZCTEOSA-N 0 3 288.435 2.762 50 0 CFAAHN CCn1ccc2ccc(CN3CC[C@@H](CNC(C)=O)C3)cc21 ZINC000067674995 373989483 /nfs/dbraw/zinc/98/94/83/373989483.db2.gz ZGIYGTXHGNKTMY-INIZCTEOSA-N 0 3 299.418 2.619 50 0 CFAAHN COc1ccc(CN[C@@H](C)Cn2cc(C)cn2)cc1F ZINC000069599055 374079325 /nfs/dbraw/zinc/07/93/25/374079325.db2.gz XTTXWEZWEIMCRN-LBPRGKRZSA-N 0 3 277.343 2.518 50 0 CFAAHN CCc1noc([C@@H](C)N2CCN(CC3CCCC3)CC2)n1 ZINC000069626578 374080417 /nfs/dbraw/zinc/08/04/17/374080417.db2.gz JVTCKFNMWBRWAR-CYBMUJFWSA-N 0 3 292.427 2.501 50 0 CFAAHN CC[C@@H](C(=O)N(C)C1CCN(C)CC1)c1ccccc1 ZINC000069322697 374053478 /nfs/dbraw/zinc/05/34/78/374053478.db2.gz UKYLHAJIMZXLGT-MRXNPFEDSA-N 0 3 274.408 2.733 50 0 CFAAHN COCCNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000069663555 374082450 /nfs/dbraw/zinc/08/24/50/374082450.db2.gz WNGAVCPJHMFUAN-UHFFFAOYSA-N 0 3 269.772 2.582 50 0 CFAAHN Cc1cnn(C[C@H](C)NCc2cnn(-c3ccccc3)c2)c1 ZINC000069490128 374067581 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/nfs/dbraw/zinc/25/29/51/374252951.db2.gz DDVVJUBAWBWBNL-LBPRGKRZSA-N 0 3 281.363 2.666 50 0 CFAAHN Cc1ncsc1CCN(C)Cc1cccc2nonc21 ZINC000072459071 374253771 /nfs/dbraw/zinc/25/37/71/374253771.db2.gz GEVRHKHEAZRVKG-UHFFFAOYSA-N 0 3 288.376 2.662 50 0 CFAAHN CO[C@H]1CCN(Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072475016 374255147 /nfs/dbraw/zinc/25/51/47/374255147.db2.gz KJBGHHWBVSQIOW-INIZCTEOSA-N 0 3 277.408 2.611 50 0 CFAAHN C[C@@H]1CCC[C@@H](CC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000072273298 374240044 /nfs/dbraw/zinc/24/00/44/374240044.db2.gz XDRCHXIBLMXJAU-KFWWJZLASA-N 0 3 266.429 2.661 50 0 CFAAHN COc1ccc([C@@H](CO)N(C)Cc2ccccc2)cc1 ZINC000079091226 374594097 /nfs/dbraw/zinc/59/40/97/374594097.db2.gz WXAJABABIRSYGO-QGZVFWFLSA-N 0 3 271.360 2.861 50 0 CFAAHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1cccc(F)c1 ZINC000083704389 374754373 /nfs/dbraw/zinc/75/43/73/374754373.db2.gz KGQDKQBTTVUIMI-XJKSGUPXSA-N 0 3 262.372 2.884 50 0 CFAAHN Cc1csc(C2(NC[C@@H](O)COC(C)C)CCCC2)n1 ZINC000089705458 374940578 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/nfs/dbraw/zinc/11/02/77/171110277.db2.gz XSDSFBQKBOUZOH-INIZCTEOSA-N 0 3 284.407 2.603 50 0 CFAAHN CCN1CCN(CCSc2ccc(C)cc2)CC1 ZINC000020390108 171178925 /nfs/dbraw/zinc/17/89/25/171178925.db2.gz LUZICMKSJCWFHG-UHFFFAOYSA-N 0 3 264.438 2.725 50 0 CFAAHN CCN1CCN(CCCOc2cccc(C)c2C)CC1 ZINC000020390190 171179212 /nfs/dbraw/zinc/17/92/12/171179212.db2.gz AWNLAHWDXSRCGO-UHFFFAOYSA-N 0 3 276.424 2.710 50 0 CFAAHN CCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000020581994 171257423 /nfs/dbraw/zinc/25/74/23/171257423.db2.gz QEZPUUNHJKUTEC-UHFFFAOYSA-N 0 3 252.402 2.654 50 0 CFAAHN CCN(CCOC)Cc1cnc(-c2ccccc2)[nH]1 ZINC000020864020 171276987 /nfs/dbraw/zinc/27/69/87/171276987.db2.gz NPOCJONUKIHYMP-UHFFFAOYSA-N 0 3 259.353 2.545 50 0 CFAAHN c1cc([C@@H]2CCCN(Cc3cccc4c3OCO4)C2)n[nH]1 ZINC000020992244 171283746 /nfs/dbraw/zinc/28/37/46/171283746.db2.gz BVJMONLBXWTBKK-GFCCVEGCSA-N 0 3 285.347 2.518 50 0 CFAAHN c1ccc(CN2CCC(Nc3ncccn3)CC2)cc1 ZINC000021061162 171297192 /nfs/dbraw/zinc/29/71/92/171297192.db2.gz 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CFAAHN Cc1cc(C)n(C[C@@H]2CCCN2CCc2ccccn2)n1 ZINC000071878659 176286906 /nfs/dbraw/zinc/28/69/06/176286906.db2.gz IESRYGRUBDHULQ-KRWDZBQOSA-N 0 3 284.407 2.602 50 0 CFAAHN CC1(C)C[C@@H](CN2CC(c3ccncc3)C2)CCO1 ZINC000072143152 176323863 /nfs/dbraw/zinc/32/38/63/176323863.db2.gz QSMQDZZVWFHQPK-ZDUSSCGKSA-N 0 3 260.381 2.686 50 0 CFAAHN Cc1ccsc1CN1CCc2[nH]cnc2[C@H]1c1ncc[nH]1 ZINC000072154160 176327820 /nfs/dbraw/zinc/32/78/20/176327820.db2.gz RSDNQWGIXCNJMU-AWEZNQCLSA-N 0 3 299.403 2.650 50 0 CFAAHN Cc1ccc(NCCNCc2cccc(Cl)c2)nn1 ZINC000072231648 176344203 /nfs/dbraw/zinc/34/42/03/176344203.db2.gz MTNRKBJIQMPHKH-UHFFFAOYSA-N 0 3 276.771 2.640 50 0 CFAAHN Cc1cc(N2CC[C@@H](O)C2)c2cc(OC(F)F)ccc2n1 ZINC000077217427 177235802 /nfs/dbraw/zinc/23/58/02/177235802.db2.gz JAHHDQUPEISQHS-SNVBAGLBSA-N 0 3 294.301 2.716 50 0 CFAAHN Cc1ccc(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)o1 ZINC000078553560 177353836 /nfs/dbraw/zinc/35/38/36/177353836.db2.gz OYPKBPJUKUZJLF-MRXNPFEDSA-N 0 3 298.386 2.982 50 0 CFAAHN CC(C)n1ccc(C(=O)Nc2ccccc2CN(C)C)n1 ZINC000408512926 261068482 /nfs/dbraw/zinc/06/84/82/261068482.db2.gz DQISALVGFHFTOW-UHFFFAOYSA-N 0 3 286.379 2.778 50 0 CFAAHN C[C@@H](C1CC1)N(C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000252012397 274205512 /nfs/dbraw/zinc/20/55/12/274205512.db2.gz SWXQSJBSIVRICS-GUYCJALGSA-N 0 3 286.419 2.911 50 0 CFAAHN Clc1ccc(Br)c(N2CCNCC2)c1 ZINC000084666656 274880761 /nfs/dbraw/zinc/88/07/61/274880761.db2.gz RVEYCMIYANBBER-UHFFFAOYSA-N 0 3 275.577 2.512 50 0 CFAAHN CCCOc1ccc2c(c1)c1c3n2CCN(C)C3=NCC1 ZINC000016606223 276019706 /nfs/dbraw/zinc/01/97/06/276019706.db2.gz SKUWFSYALUMHKB-UHFFFAOYSA-N 0 3 283.375 2.678 50 0 CFAAHN CCN1CCC[C@H]1CNC(=O)Nc1c(C)cccc1C ZINC000264615887 276185917 /nfs/dbraw/zinc/18/59/17/276185917.db2.gz GVXILKKSRRXXBQ-AWEZNQCLSA-N 0 3 275.396 2.909 50 0 CFAAHN CC(C)=CCC[C@H](C)CN1CCc2nncn2CC1 ZINC000011870994 277324071 /nfs/dbraw/zinc/32/40/71/277324071.db2.gz KLIMHZJCOYNFPG-AWEZNQCLSA-N 0 3 262.401 2.519 50 0 CFAAHN CC(=O)c1ccc(OC[C@@H](O)CN2CCCC[C@H]2C)cc1 ZINC000004192320 278248838 /nfs/dbraw/zinc/24/88/38/278248838.db2.gz AXQKWRMPCYVYQL-CJNGLKHVSA-N 0 3 291.391 2.503 50 0 CFAAHN C[C@H](C1CC1)N(C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000230229544 279241793 /nfs/dbraw/zinc/24/17/93/279241793.db2.gz ZJXQGAXXZOVGMP-VNQPRFMTSA-N 0 3 278.440 2.898 50 0 CFAAHN C[C@H](N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000002867344 279393237 /nfs/dbraw/zinc/39/32/37/279393237.db2.gz CITBTXVQVHJQMK-JTQLQIEISA-N 0 3 252.317 2.544 50 0 CFAAHN CC[C@@H](N)C(=O)N1CCCc2cc(C(C)C)ccc21 ZINC000097019104 280164031 /nfs/dbraw/zinc/16/40/31/280164031.db2.gz GFIWZFYYLRNCKP-CQSZACIVSA-N 0 3 260.381 2.827 50 0 CFAAHN COc1ccccc1/C=C\CN1CCN(CC(C)C)CC1 ZINC000254971575 281082868 /nfs/dbraw/zinc/08/28/68/281082868.db2.gz KUTPVRHOYBSJTO-VURMDHGXSA-N 0 3 288.435 2.982 50 0 CFAAHN Nc1ccccc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1 ZINC000238856653 295364751 /nfs/dbraw/zinc/36/47/51/295364751.db2.gz WSTXBEUFNZYMMG-LNSITVRQSA-N 0 3 273.380 2.518 50 0 CFAAHN C[C@H](C(=O)N1CCC[C@H]1c1ccc[nH]1)N1CCCCCC1 ZINC000098014310 298041634 /nfs/dbraw/zinc/04/16/34/298041634.db2.gz WLDDUYHALVCARR-ZBFHGGJFSA-N 0 3 289.423 2.943 50 0 CFAAHN C[C@H]1CCC[C@@H](C(=O)NCCCNCc2cccnc2)C1 ZINC000195542773 324108246 /nfs/dbraw/zinc/10/82/46/324108246.db2.gz SHXLOQGNHKKRKD-GOEBONIOSA-N 0 3 289.423 2.504 50 0 CFAAHN CC(=O)Nc1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1 ZINC000195573493 324109337 /nfs/dbraw/zinc/10/93/37/324109337.db2.gz QUTHFQTYLLSWOJ-KRWDZBQOSA-N 0 3 298.390 2.506 50 0 CFAAHN CCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000069321921 519852002 /nfs/dbraw/zinc/85/20/02/519852002.db2.gz WHLPZHWHHQMTCS-CYBMUJFWSA-N 0 3 262.401 2.594 50 0 CFAAHN Cc1cc(Cl)ccc1CNCCn1cnnc1C1CC1 ZINC000129762769 500958914 /nfs/dbraw/zinc/95/89/14/500958914.db2.gz WOKOZVBHLIIVER-UHFFFAOYSA-N 0 3 290.798 2.907 50 0 CFAAHN CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CCCCN1 ZINC000156887641 523255986 /nfs/dbraw/zinc/25/59/86/523255986.db2.gz XCNQLMUMZSZSIO-CYBMUJFWSA-N 0 3 284.762 2.580 50 0 CFAAHN CC[C@@H]1CCCN1CC(=O)N(C)Cc1ccccc1 ZINC000340681114 523264630 /nfs/dbraw/zinc/26/46/30/523264630.db2.gz PJTZRRUWHOKYLJ-OAHLLOKOSA-N 0 3 260.381 2.519 50 0 CFAAHN COc1ccccc1/C=C/CN1CCCC[C@H]1CO ZINC000016663075 524315507 /nfs/dbraw/zinc/31/55/07/524315507.db2.gz PWTNKKDAYSEBFQ-VFADXPBXSA-N 0 3 261.365 2.555 50 0 CFAAHN Fc1ccccc1CSc1nnc([C@H]2CCCN2)o1 ZINC000001249891 526412437 /nfs/dbraw/zinc/41/24/37/526412437.db2.gz LOFWHLUNKRFUDM-LLVKDONJSA-N 0 3 279.340 2.926 50 0 CFAAHN c1ccc(CN2CC[C@H](Nc3ccccn3)C2)cc1 ZINC000067948701 526470118 /nfs/dbraw/zinc/47/01/18/526470118.db2.gz LGCIACACYCTERW-HNNXBMFYSA-N 0 3 253.349 2.768 50 0 CFAAHN CC1(C)CC[C@H](CN2CCC(O)(c3ccccc3)CC2)O1 ZINC000187556946 529038428 /nfs/dbraw/zinc/03/84/28/529038428.db2.gz UHQXZTIFHVDIJE-MRXNPFEDSA-N 0 3 289.419 2.928 50 0 CFAAHN CN(C[C@@H](O)c1cccc(Cl)c1)[C@H]1CCSC1 ZINC000240744090 536420880 /nfs/dbraw/zinc/42/08/80/536420880.db2.gz HULHJXZUEGRJGY-QWHCGFSZSA-N 0 3 271.813 2.811 50 0 CFAAHN CC[C@H](C(=O)NCc1ccc(C)cc1C)N(C)CC ZINC000952964188 615607233 /nfs/dbraw/zinc/60/72/33/615607233.db2.gz MZHNGNHFPPRGCH-OAHLLOKOSA-N 0 3 262.397 2.650 50 0 CFAAHN CCOC(=O)[C@@H]1CCCCN1[C@@H]1CCC[C@@H](C)C1 ZINC000023283251 617841600 /nfs/dbraw/zinc/84/16/00/617841600.db2.gz XGSFSMOKZNRERD-MCIONIFRSA-N 0 3 253.386 2.983 50 0 CFAAHN c1ccc(NCCCN[C@H]2COCc3ncccc32)cc1 ZINC000888101019 619133260 /nfs/dbraw/zinc/13/32/60/619133260.db2.gz OBWAQEBCIROWQE-KRWDZBQOSA-N 0 3 283.375 2.745 50 0 CFAAHN OC[C@]1(CCc2ccccc2)CCCN(Cc2cnc[nH]2)C1 ZINC000012300025 626278957 /nfs/dbraw/zinc/27/89/57/626278957.db2.gz FXPUXOKQFBNBQX-SFHVURJKSA-N 0 3 299.418 2.617 50 0 CFAAHN CC1=NO[C@@H](c2nc(-c3ccc(CN(C)C)cc3)no2)C1 ZINC000863950283 637820872 /nfs/dbraw/zinc/82/08/72/637820872.db2.gz JEZSZOADSJNLLY-CYBMUJFWSA-N 0 3 286.335 2.636 50 0 CFAAHN Cc1ccc2nccc(N[C@@H]3CCN(C)C(=O)C3)c2c1 ZINC000192856202 650603305 /nfs/dbraw/zinc/60/33/05/650603305.db2.gz MQCOOXWICHOMKX-GFCCVEGCSA-N 0 3 269.348 2.576 50 0 CFAAHN Cc1ccc(CN(C)CCc2nc3ccccc3[nH]2)cn1 ZINC000020452276 651299171 /nfs/dbraw/zinc/29/91/71/651299171.db2.gz GMRCTWWTRQGBRP-UHFFFAOYSA-N 0 3 280.375 2.941 50 0 CFAAHN OCCN(Cc1cccnc1)[C@@H]1CCc2ccccc21 ZINC000096455346 230377170 /nfs/dbraw/zinc/37/71/70/230377170.db2.gz KRGAGBKKZWJCRQ-QGZVFWFLSA-N 0 3 268.360 2.563 50 0 CFAAHN Cc1nn(C)c2nc(NCC[C@@H]3CCCCN3C)sc12 ZINC000095501071 185000056 /nfs/dbraw/zinc/00/00/56/185000056.db2.gz GHJQTAMNOKJFCJ-NSHDSACASA-N 0 3 293.440 2.625 50 0 CFAAHN CC(=O)c1cc(CN2C[C@@H](C(C)C)[C@H](N(C)C)C2)cs1 ZINC000095512124 185002075 /nfs/dbraw/zinc/00/20/75/185002075.db2.gz PUSJRSQZXDRLEI-LSDHHAIUSA-N 0 3 294.464 2.969 50 0 CFAAHN C[C@H](CO)N[C@H](C)c1ccccc1OC(F)(F)F ZINC000095968674 185047815 /nfs/dbraw/zinc/04/78/15/185047815.db2.gz ZYQHZJVPPXAIAO-RKDXNWHRSA-N 0 3 263.259 2.617 50 0 CFAAHN O=C(Nc1ccc2c(c1)CNCC2)c1ccnc(Cl)c1 ZINC000095971614 185048467 /nfs/dbraw/zinc/04/84/67/185048467.db2.gz GEAUXFLICHYARO-UHFFFAOYSA-N 0 3 287.750 2.633 50 0 CFAAHN COC[C@H]1CCCN(Cc2cn(C)nc2C(C)(C)C)C1 ZINC000095986722 185056008 /nfs/dbraw/zinc/05/60/08/185056008.db2.gz HIMHGVPDXZUKFT-ZDUSSCGKSA-N 0 3 279.428 2.576 50 0 CFAAHN C[C@@H](NCCn1ccnc1)c1cccc(F)c1F ZINC000095986039 185056712 /nfs/dbraw/zinc/05/67/12/185056712.db2.gz CDRAITWTFHBQQE-SNVBAGLBSA-N 0 3 251.280 2.512 50 0 CFAAHN CCS[C@@H]1CC[C@@H](NCc2c(C)nn(C)c2OC)C1 ZINC000095990135 185057748 /nfs/dbraw/zinc/05/77/48/185057748.db2.gz DMDGKZCJBJDDBU-VXGBXAGGSA-N 0 3 283.441 2.501 50 0 CFAAHN CN1CCC(CC(=O)NC2(c3ccccc3F)CC2)CC1 ZINC000096012417 185065833 /nfs/dbraw/zinc/06/58/33/185065833.db2.gz NIGWLONUHWAGMZ-UHFFFAOYSA-N 0 3 290.382 2.663 50 0 CFAAHN COc1ccc(Cc2cnc([C@H]3CCCN3)o2)cc1 ZINC000096032191 185067278 /nfs/dbraw/zinc/06/72/78/185067278.db2.gz ZVNZTCUFOOKOJV-CQSZACIVSA-N 0 3 258.321 2.699 50 0 CFAAHN CNCc1cccc(NC(=O)c2ccnc(Cl)c2)c1 ZINC000097019510 185153080 /nfs/dbraw/zinc/15/30/80/185153080.db2.gz MSEDZQOLJKTKBC-UHFFFAOYSA-N 0 3 275.739 2.707 50 0 CFAAHN CCN(C)C(=O)CCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000097033156 185156245 /nfs/dbraw/zinc/15/62/45/185156245.db2.gz MYRAQZGQAZUVDI-JTQLQIEISA-N 0 3 286.778 2.998 50 0 CFAAHN CNC(=O)CCN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000097033616 185156396 /nfs/dbraw/zinc/15/63/96/185156396.db2.gz KYQVIULKRPPITR-CQSZACIVSA-N 0 3 266.360 2.639 50 0 CFAAHN CC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CCC[C@@H]21 ZINC000075566910 347085534 /nfs/dbraw/zinc/08/55/34/347085534.db2.gz GHVDXGOQIROAKN-CABCVRRESA-N 0 3 258.365 2.539 50 0 CFAAHN Cc1cc(C)n(C[C@H]2CCCCN2CCc2ccncc2)n1 ZINC000075605699 347086519 /nfs/dbraw/zinc/08/65/19/347086519.db2.gz GHTYKLIINOJHOR-GOSISDBHSA-N 0 3 298.434 2.992 50 0 CFAAHN CCc1cccc(CC)c1NC(=O)OCCN(C)C ZINC000019861832 346243064 /nfs/dbraw/zinc/24/30/64/346243064.db2.gz IFUZMCMLGIEKFD-UHFFFAOYSA-N 0 3 264.369 2.922 50 0 CFAAHN CSCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000048199075 346469017 /nfs/dbraw/zinc/46/90/17/346469017.db2.gz LNLPRCQCJKXBLH-UHFFFAOYSA-N 0 3 278.421 2.974 50 0 CFAAHN Fc1ccc([C@@H]2CCCN2CCn2cccn2)cc1 ZINC000064140235 346715739 /nfs/dbraw/zinc/71/57/39/346715739.db2.gz SLHQVUHPIJMPSN-HNNXBMFYSA-N 0 3 259.328 2.859 50 0 CFAAHN CCS[C@H]1CCCC[C@H]1NCc1cnn(C)c1 ZINC000079020805 347285325 /nfs/dbraw/zinc/28/53/25/347285325.db2.gz FRYFPIYYAUVTTP-OLZOCXBDSA-N 0 3 253.415 2.574 50 0 CFAAHN Cc1cccnc1CN1CCC(c2nncn2C(C)C)CC1 ZINC000097238686 347708547 /nfs/dbraw/zinc/70/85/47/347708547.db2.gz RDWAUOXTDTXWMF-UHFFFAOYSA-N 0 3 299.422 2.942 50 0 CFAAHN Cc1ncsc1CN1CCC[C@H](Cc2nccn2C)C1 ZINC000097377032 347709585 /nfs/dbraw/zinc/70/95/85/347709585.db2.gz VHTDSKVIFCLAIN-CYBMUJFWSA-N 0 3 290.436 2.640 50 0 CFAAHN Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC000097374111 347709620 /nfs/dbraw/zinc/70/96/20/347709620.db2.gz UEYKUYOQHGHUJN-HUBLWGQQSA-N 0 3 294.370 2.618 50 0 CFAAHN CCC(=O)O[C@@]1(c2ccccc2)CN(C)C[C@H]1CC ZINC000102190434 347716848 /nfs/dbraw/zinc/71/68/48/347716848.db2.gz VFVRCUAINDTTOF-CJNGLKHVSA-N 0 3 261.365 2.807 50 0 CFAAHN CC[C@@H](C)N(Cc1cccn1C)C[C@@H](O)COC(C)(C)C ZINC000169677300 348051654 /nfs/dbraw/zinc/05/16/54/348051654.db2.gz VUTLPXRKTSBDFA-GDBMZVCRSA-N 0 3 296.455 2.802 50 0 CFAAHN C(=C\c1ccccc1)\CNCCOc1ccccn1 ZINC000169620296 348051731 /nfs/dbraw/zinc/05/17/31/348051731.db2.gz NBIIKFWVIBCDDR-TWGQIWQCSA-N 0 3 254.333 2.763 50 0 CFAAHN Fc1cccc(-n2cc(CN[C@@H]3CCSC3)cn2)c1 ZINC000584893323 348730486 /nfs/dbraw/zinc/73/04/86/348730486.db2.gz QQNWDQODIRNTAJ-CYBMUJFWSA-N 0 3 277.368 2.607 50 0 CFAAHN Cc1nc(CC2CCN(C)CC2)nn1CCc1ccccc1 ZINC000584896768 348731376 /nfs/dbraw/zinc/73/13/76/348731376.db2.gz NAPSQZPDNZIFRD-UHFFFAOYSA-N 0 3 298.434 2.714 50 0 CFAAHN CN1C(=O)C[C@H](NCCCF)[C@H]1c1ccc(Cl)cc1 ZINC000192159723 282644828 /nfs/dbraw/zinc/64/48/28/282644828.db2.gz QBRWSCLSIYPEJN-GXTWGEPZSA-N 0 3 284.762 2.561 50 0 CFAAHN Cc1cccc(CN2CC[C@@](O)(C3CCC3)[C@H](C)C2)n1 ZINC000091270199 180118128 /nfs/dbraw/zinc/11/81/28/180118128.db2.gz MYEWLLMKEPYSMG-DYVFJYSZSA-N 0 3 274.408 2.763 50 0 CFAAHN CCc1ccc(CN2CCC[C@](CO)(CCOC)C2)cc1 ZINC000091427152 180151748 /nfs/dbraw/zinc/15/17/48/180151748.db2.gz DTRLKYGSNIYNAB-SFHVURJKSA-N 0 3 291.435 2.860 50 0 CFAAHN Cc1ccc(C2(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4)CC2)cc1 ZINC000091526719 180178630 /nfs/dbraw/zinc/17/86/30/180178630.db2.gz KVGQWMRKIREOJZ-NVXWUHKLSA-N 0 3 298.430 2.579 50 0 CFAAHN c1ccc(CN2CCC[C@@H](CNc3ccncn3)C2)cc1 ZINC000091680116 180226694 /nfs/dbraw/zinc/22/66/94/180226694.db2.gz SJEXHLOBZMBODV-INIZCTEOSA-N 0 3 282.391 2.801 50 0 CFAAHN Cc1ncnc(N[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000091876473 180278718 /nfs/dbraw/zinc/27/87/18/180278718.db2.gz XQIVOPJSQAKASV-INIZCTEOSA-N 0 3 282.391 2.780 50 0 CFAAHN COc1cc(C)ccc1CN1CC[C@](C)(O)[C@H](C)C1 ZINC000092045734 180311077 /nfs/dbraw/zinc/31/10/77/180311077.db2.gz WHYYOKHDCGDUJX-CJNGLKHVSA-N 0 3 263.381 2.596 50 0 CFAAHN CCc1ccc(CN2CC[C@@](O)(C3CC3)[C@H](C)C2)o1 ZINC000091985945 180298589 /nfs/dbraw/zinc/29/85/89/180298589.db2.gz VNTVSHGPICATME-WBMJQRKESA-N 0 3 263.381 2.825 50 0 CFAAHN C[C@H](NCc1cc(Cl)ccc1F)[C@@H]1CCOC1 ZINC000119360223 186822372 /nfs/dbraw/zinc/82/23/72/186822372.db2.gz DLYBYTQGHDPIOD-VHSXEESVSA-N 0 3 257.736 2.994 50 0 CFAAHN CSC[C@@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000131585909 187575076 /nfs/dbraw/zinc/57/50/76/187575076.db2.gz XTZZDGAGSLXOLZ-ZJUUUORDSA-N 0 3 253.367 2.817 50 0 CFAAHN Cc1ccc(OC(F)F)c(CN[C@@H]2CCCOC2)c1 ZINC000152255326 188005285 /nfs/dbraw/zinc/00/52/85/188005285.db2.gz SBGBINZNIXVLST-GFCCVEGCSA-N 0 3 271.307 2.865 50 0 CFAAHN Cc1c2ccccc2oc1CN(C)[C@@H]1CCN(C)C1 ZINC000223380327 539992893 /nfs/dbraw/zinc/99/28/93/539992893.db2.gz ORFRXHQPLGSOSZ-CYBMUJFWSA-N 0 3 258.365 2.877 50 0 CFAAHN CN1CC[C@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000066653127 283115264 /nfs/dbraw/zinc/11/52/64/283115264.db2.gz UFZYQLWOSVSQCD-GFCCVEGCSA-N 0 3 292.448 2.699 50 0 CFAAHN CN1C[C@@H](N[C@@H]2CC(C)(C)Cc3occc32)CCC1=O ZINC000095968245 283203712 /nfs/dbraw/zinc/20/37/12/283203712.db2.gz CVSXWBFDWFDPHF-WCQYABFASA-N 0 3 276.380 2.504 50 0 CFAAHN 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294748260 /nfs/dbraw/zinc/74/82/60/294748260.db2.gz LMJVQNTWYHFBGC-HNNXBMFYSA-N 0 3 286.354 2.865 50 0 CFAAHN Cc1cc(OC[C@@H](O)CN2CCCCC2)ccc1Cl ZINC000002451892 301377979 /nfs/dbraw/zinc/37/79/79/301377979.db2.gz SNPRMKLIRRPIMC-ZDUSSCGKSA-N 0 3 283.799 2.874 50 0 CFAAHN COc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]1CO)CCCO2 ZINC000089466895 327170297 /nfs/dbraw/zinc/17/02/97/327170297.db2.gz RKVQQUXVHMWKSB-UHOFOFEASA-N 0 3 291.391 2.660 50 0 CFAAHN Cc1ccc(CN(C)C)cc1NC(=O)C1CC=CC1 ZINC000096451799 533866586 /nfs/dbraw/zinc/86/65/86/533866586.db2.gz TYQNEGCOQAXLEW-UHFFFAOYSA-N 0 3 258.365 2.961 50 0 CFAAHN CCc1ccc([C@H](C)NC[C@@H](c2cnn(C)c2)N(C)C)o1 ZINC000096477921 524045482 /nfs/dbraw/zinc/04/54/82/524045482.db2.gz SQAZMTDMSSZNNT-WFASDCNBSA-N 0 3 290.411 2.529 50 0 CFAAHN C[C@H](Cn1cccn1)NCc1cccc2cccnc21 ZINC000035259040 524778047 /nfs/dbraw/zinc/77/80/47/524778047.db2.gz GZKKZRUIDKNNLL-CYBMUJFWSA-N 0 3 266.348 2.610 50 0 CFAAHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CC1=CCCCC1 ZINC000245305027 524897989 /nfs/dbraw/zinc/89/79/89/524897989.db2.gz HQINMAFRBSYHGB-UKRRQHHQSA-N 0 3 264.413 2.676 50 0 CFAAHN C[C@H](NCc1cccn1C)c1ccc2c(c1)OCO2 ZINC000050595369 525465497 /nfs/dbraw/zinc/46/54/97/525465497.db2.gz GHXHIFZYTUVMRG-NSHDSACASA-N 0 3 258.321 2.605 50 0 CFAAHN C[C@H](O)c1ccc(-c2ccc(CNCCN(C)C)o2)cc1 ZINC000019872361 525851617 /nfs/dbraw/zinc/85/16/17/525851617.db2.gz RYBLYPBCPMQXOB-ZDUSSCGKSA-N 0 3 288.391 2.651 50 0 CFAAHN COc1cccc(CNC[C@H](O)c2ccccc2)c1 ZINC000019871944 526020094 /nfs/dbraw/zinc/02/00/94/526020094.db2.gz CFQBWJYFTBZXFR-INIZCTEOSA-N 0 3 257.333 2.518 50 0 CFAAHN CC(C)(C)OCCN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000096490444 526553004 /nfs/dbraw/zinc/55/30/04/526553004.db2.gz VZOBOOHWNAIGRE-ZDUSSCGKSA-N 0 3 292.427 2.608 50 0 CFAAHN CC(=O)N[C@H]1CCCN(C[C@H](C)c2ccc(F)cc2)C1 ZINC000170602984 526901668 /nfs/dbraw/zinc/90/16/68/526901668.db2.gz FFWLPXVTHTUGHH-LRDDRELGSA-N 0 3 278.371 2.530 50 0 CFAAHN CCC1(CC)CCN(C(=O)CN2CCCCCC2)C1 ZINC000952980168 614678570 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50 0 CFAAHN CCC[C@@H](N)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000037002195 372624314 /nfs/dbraw/zinc/62/43/14/372624314.db2.gz COSDZQKJZSTTGD-BXKDBHETSA-N 0 3 254.399 2.670 50 0 CFAAHN CCC[C@@H](N)c1nc(-c2ccc3c(c2)OCO3)c[nH]1 ZINC000036873842 372604435 /nfs/dbraw/zinc/60/44/35/372604435.db2.gz SLPWRGBXMXVDQN-SNVBAGLBSA-N 0 3 259.309 2.605 50 0 CFAAHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766356 372702871 /nfs/dbraw/zinc/70/28/71/372702871.db2.gz MJYIPFKTHWAITB-IUODEOHRSA-N 0 3 275.396 2.599 50 0 CFAAHN COc1ccc(Cl)cc1CNC1CCC(O)CC1 ZINC000037978616 372745711 /nfs/dbraw/zinc/74/57/11/372745711.db2.gz DGTRXZBHIJTNDE-UHFFFAOYSA-N 0 3 269.772 2.742 50 0 CFAAHN COC(=O)CCN(C)Cc1cc(Br)cs1 ZINC000042250521 372896544 /nfs/dbraw/zinc/89/65/44/372896544.db2.gz ZTZAPPUYYRDEME-UHFFFAOYSA-N 0 3 292.198 2.506 50 0 CFAAHN C[C@H](CC(=O)NC[C@H](C)N1CCCC1)c1ccccc1 ZINC000042502879 372927905 /nfs/dbraw/zinc/92/79/05/372927905.db2.gz UASAEECTNMCYBX-CABCVRRESA-N 0 3 274.408 2.781 50 0 CFAAHN O=C(NCCN1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000043132237 372976894 /nfs/dbraw/zinc/97/68/94/372976894.db2.gz WLZUDVDBYLHZBU-UHFFFAOYSA-N 0 3 290.451 2.805 50 0 CFAAHN CN(C)[C@H](CNC(=O)CC(C)(C)C)Cc1ccccc1 ZINC000048332505 373162891 /nfs/dbraw/zinc/16/28/91/373162891.db2.gz GMLMSUJDQUSFTL-HNNXBMFYSA-N 0 3 276.424 2.712 50 0 CFAAHN O=C(CN1CCC[C@@H]1Cc1ccccc1)N1CCCCC1 ZINC000048332884 373163271 /nfs/dbraw/zinc/16/32/71/373163271.db2.gz CSXZNJDZXZUKBB-QGZVFWFLSA-N 0 3 286.419 2.706 50 0 CFAAHN CC1CCN(C(=O)CN(C)C2CCCCC2)CC1 ZINC000048342119 373165308 /nfs/dbraw/zinc/16/53/08/373165308.db2.gz VKFFKQKQHQIJNG-UHFFFAOYSA-N 0 3 252.402 2.509 50 0 CFAAHN C[C@@H](NCc1cccn1C)c1ccc2c(c1)OCCO2 ZINC000049137669 373273498 /nfs/dbraw/zinc/27/34/98/373273498.db2.gz BRUYEHHATAALIJ-GFCCVEGCSA-N 0 3 272.348 2.647 50 0 CFAAHN Cn1ccnc1CNCCCn1ccc2ccccc21 ZINC000049856686 373323609 /nfs/dbraw/zinc/32/36/09/373323609.db2.gz UTCWDFZEFFLWHF-UHFFFAOYSA-N 0 3 268.364 2.555 50 0 CFAAHN CCCN(Cc1nnc(-c2ccco2)o1)CC1CC1 ZINC000052890843 373456828 /nfs/dbraw/zinc/45/68/28/373456828.db2.gz HBIIFVGSBWBYNN-UHFFFAOYSA-N 0 3 261.325 2.952 50 0 CFAAHN CCOC(=O)CCN1CCC[C@@H]1c1cccs1 ZINC000053399541 373477646 /nfs/dbraw/zinc/47/76/46/373477646.db2.gz XGPDPJDWDBKLNG-LLVKDONJSA-N 0 3 253.367 2.838 50 0 CFAAHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2CCC2)C1 ZINC000054226414 373506346 /nfs/dbraw/zinc/50/63/46/373506346.db2.gz QOYMBBLLOHUKCU-BBRMVZONSA-N 0 3 272.392 2.738 50 0 CFAAHN Cc1cc(C(=O)Nc2cccc(CN3CCCC3)c2)n[nH]1 ZINC000054774438 373530568 /nfs/dbraw/zinc/53/05/68/373530568.db2.gz ZZJFEJAJRUPFCW-UHFFFAOYSA-N 0 3 284.363 2.566 50 0 CFAAHN Cc1noc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000053641597 373484343 /nfs/dbraw/zinc/48/43/43/373484343.db2.gz WBGFADDODTYIQF-UHFFFAOYSA-N 0 3 257.337 2.758 50 0 CFAAHN Cc1ncc(CN(C)CCOc2ccc(C)cc2C)[nH]1 ZINC000055283203 373546882 /nfs/dbraw/zinc/54/68/82/373546882.db2.gz VQGMZGRCSIHFSS-UHFFFAOYSA-N 0 3 273.380 2.846 50 0 CFAAHN O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1CC1 ZINC000056479009 373564851 /nfs/dbraw/zinc/56/48/51/373564851.db2.gz PYLPQKDUCLRTBQ-UHFFFAOYSA-N 0 3 299.418 2.567 50 0 CFAAHN O=C(c1cccc(F)c1)N1CCC[C@H]1CN1CCCC1 ZINC000058324059 373644611 /nfs/dbraw/zinc/64/46/11/373644611.db2.gz GGLLIVNSTXGPEX-HNNXBMFYSA-N 0 3 276.355 2.526 50 0 CFAAHN C[C@@H](NC[C@H]1CNc2ccnn2C1)c1cc(F)ccc1F ZINC000058332937 373645971 /nfs/dbraw/zinc/64/59/71/373645971.db2.gz MJPKJVHVDUNVJQ-MNOVXSKESA-N 0 3 292.333 2.554 50 0 CFAAHN COC[C@H](C)NCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000065525545 373882644 /nfs/dbraw/zinc/88/26/44/373882644.db2.gz MCKPFAGODNDEGW-NSHDSACASA-N 0 3 291.370 2.753 50 0 CFAAHN Cc1ccc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)o1 ZINC000065286725 373852257 /nfs/dbraw/zinc/85/22/57/373852257.db2.gz XXADNADAXORJRI-ZDUSSCGKSA-N 0 3 286.379 2.963 50 0 CFAAHN Cc1nc([C@H]2CCCN(C)C2)n(-c2cccc(F)c2)n1 ZINC000065380709 373861890 /nfs/dbraw/zinc/86/18/90/373861890.db2.gz STNLELBYSAKUSD-LBPRGKRZSA-N 0 3 274.343 2.524 50 0 CFAAHN CN1CCC[C@@H](c2nncn2-c2ccccc2Cl)C1 ZINC000067741779 373997353 /nfs/dbraw/zinc/99/73/53/373997353.db2.gz XIMDBASYKJBACP-LLVKDONJSA-N 0 3 276.771 2.730 50 0 CFAAHN CCc1csc(CN[C@@H](C)CC(C)(C)OC)n1 ZINC000067947830 374017262 /nfs/dbraw/zinc/01/72/62/374017262.db2.gz RRCVWOXFFXVCAA-JTQLQIEISA-N 0 3 256.415 2.999 50 0 CFAAHN O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)NC1CC1 ZINC000067441988 373978594 /nfs/dbraw/zinc/97/85/94/373978594.db2.gz NXCGLJPVMGAMCP-SFHVURJKSA-N 0 3 294.398 2.839 50 0 CFAAHN O=C(CN[C@H](Cc1ccccc1)c1ccccc1)NC1CC1 ZINC000067441989 373979460 /nfs/dbraw/zinc/97/94/60/373979460.db2.gz NXCGLJPVMGAMCP-GOSISDBHSA-N 0 3 294.398 2.839 50 0 CFAAHN C[C@H](NCc1ccc(Cl)o1)[C@H](C)n1cccn1 ZINC000069368488 374055519 /nfs/dbraw/zinc/05/55/19/374055519.db2.gz ZPGCXGQWLOPAPB-UWVGGRQHSA-N 0 3 253.733 2.869 50 0 CFAAHN CCCN(CCC)CC(=O)N[C@H](C)c1ccco1 ZINC000069439262 374063478 /nfs/dbraw/zinc/06/34/78/374063478.db2.gz ZFUDIHUMQWGXRU-GFCCVEGCSA-N 0 3 252.358 2.579 50 0 CFAAHN Cc1cc(C)n(C[C@@H]2CCCN2CCc2ccncc2)n1 ZINC000069920704 374110137 /nfs/dbraw/zinc/11/01/37/374110137.db2.gz WJZMXNMLQARXMN-KRWDZBQOSA-N 0 3 284.407 2.602 50 0 CFAAHN CSc1ccc(C)c(C(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000070005272 374115147 /nfs/dbraw/zinc/11/51/47/374115147.db2.gz VJTYOOVKYQUYEF-CYBMUJFWSA-N 0 3 292.448 2.883 50 0 CFAAHN C(=C/c1ccccc1)\CN1CCC[C@@H](Cn2cncn2)C1 ZINC000070020984 374117531 /nfs/dbraw/zinc/11/75/31/374117531.db2.gz PIPWJUQTLLYDKF-IOMDMTNGSA-N 0 3 282.391 2.704 50 0 CFAAHN Cc1cnn(C[C@H](C)NC[C@@H](O)c2ccccc2Cl)c1 ZINC000069810233 374100863 /nfs/dbraw/zinc/10/08/63/374100863.db2.gz CAXCGZZLOZDYGO-SWLSCSKDSA-N 0 3 293.798 2.557 50 0 CFAAHN Cc1cnn(C[C@H](C)NC[C@H](O)c2ccccc2Cl)c1 ZINC000069810231 374101065 /nfs/dbraw/zinc/10/10/65/374101065.db2.gz CAXCGZZLOZDYGO-WFASDCNBSA-N 0 3 293.798 2.557 50 0 CFAAHN O=C1OCCN1CCN1CCCCC[C@H]1c1ccco1 ZINC000071915032 374231646 /nfs/dbraw/zinc/23/16/46/374231646.db2.gz LBRUVZIIANTLCC-ZDUSSCGKSA-N 0 3 278.352 2.649 50 0 CFAAHN CC[C@](C)(NCCN1CCCCC1)c1nccs1 ZINC000072684961 374276236 /nfs/dbraw/zinc/27/62/36/374276236.db2.gz KRJMFBPHUWSJSW-AWEZNQCLSA-N 0 3 267.442 2.844 50 0 CFAAHN Cc1ccc(CN[C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)o1 ZINC000072300520 374243382 /nfs/dbraw/zinc/24/33/82/374243382.db2.gz GLXCJJLWZCLTEC-IUODEOHRSA-N 0 3 278.396 2.571 50 0 CFAAHN Cc1ccc(CNC(=O)CN(C)[C@H](C)C2(C)CC2)cc1 ZINC000075108161 374458175 /nfs/dbraw/zinc/45/81/75/374458175.db2.gz WYKJSJVDKIXQCZ-CQSZACIVSA-N 0 3 274.408 2.732 50 0 CFAAHN Cc1cc(C)n(C[C@H]2CCCCN2Cc2cccnc2)n1 ZINC000075131868 374459644 /nfs/dbraw/zinc/45/96/44/374459644.db2.gz YOUSWEFISQGCST-QGZVFWFLSA-N 0 3 284.407 2.950 50 0 CFAAHN COc1ccc([C@H](CO)N(C)Cc2ccccc2)cc1 ZINC000079091219 374594518 /nfs/dbraw/zinc/59/45/18/374594518.db2.gz WXAJABABIRSYGO-KRWDZBQOSA-N 0 3 271.360 2.861 50 0 CFAAHN CCS[C@H]1CCCC[C@@H]1NCc1nccn1C ZINC000079020786 374583572 /nfs/dbraw/zinc/58/35/72/374583572.db2.gz LUCDZCLMWZIEDF-RYUDHWBXSA-N 0 3 253.415 2.574 50 0 CFAAHN CN(Cc1ccccc1)Cn1c2ccccc2nc1CO ZINC000089361426 374896577 /nfs/dbraw/zinc/89/65/77/374896577.db2.gz XKFPLQHXZHVVAY-UHFFFAOYSA-N 0 3 281.359 2.618 50 0 CFAAHN C[C@H](Cc1ccccc1Br)NCc1ncc[nH]1 ZINC000089904211 374966552 /nfs/dbraw/zinc/96/65/52/374966552.db2.gz KKVMRXYIGASTNN-SNVBAGLBSA-N 0 3 294.196 2.893 50 0 CFAAHN COC[C@](C)(CCO)NCc1cc2ccccc2s1 ZINC000089895566 374967418 /nfs/dbraw/zinc/96/74/18/374967418.db2.gz IOMIRKUFACBENC-HNNXBMFYSA-N 0 3 279.405 2.778 50 0 CFAAHN CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(Cl)o1 ZINC000089948957 374975199 /nfs/dbraw/zinc/97/51/99/374975199.db2.gz PQCOJTULFLTGJK-YPMHNXCESA-N 0 3 284.787 2.670 50 0 CFAAHN O=C1C[C@@H](N[C@@H]2CCSc3ccccc32)CN1C1CC1 ZINC000090180757 374998613 /nfs/dbraw/zinc/99/86/13/374998613.db2.gz NWUNADGWSZURSJ-BXUZGUMPSA-N 0 3 288.416 2.576 50 0 CFAAHN Cc1ccc(O)c(CN(C)[C@@H](CCO)c2ccccc2)n1 ZINC000093442404 375239410 /nfs/dbraw/zinc/23/94/10/375239410.db2.gz XAQKQRQJZFAHJK-INIZCTEOSA-N 0 3 286.375 2.651 50 0 CFAAHN CC[C@@H](O)[C@@H]1CCCCN1Cc1cnn(C(C)(C)C)c1 ZINC000093322564 375211019 /nfs/dbraw/zinc/21/10/19/375211019.db2.gz XZSCDPMBMFSXDX-LSDHHAIUSA-N 0 3 279.428 2.764 50 0 CFAAHN CN(Cc1c(F)cccc1N1CCCC1)C[C@@H]1CCOC1 ZINC000093840394 375321165 /nfs/dbraw/zinc/32/11/65/375321165.db2.gz OSCBFSJMKVPAIL-AWEZNQCLSA-N 0 3 292.398 2.894 50 0 CFAAHN COc1ccc(CN(C)C[C@H]2CCOC2)c(Cl)c1OC ZINC000093840393 375321322 /nfs/dbraw/zinc/32/13/22/375321322.db2.gz XVXZZGSGJDRYEP-LLVKDONJSA-N 0 3 299.798 2.826 50 0 CFAAHN Cc1cc(=O)c2ccccc2n1C[C@@H]1CCCN(C)C1 ZINC000095375879 375425835 /nfs/dbraw/zinc/42/58/35/375425835.db2.gz POBBLMCKHYOUPP-CQSZACIVSA-N 0 3 270.376 2.652 50 0 CFAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(C)c1)C2 ZINC000095385283 375426737 /nfs/dbraw/zinc/42/67/37/375426737.db2.gz HUIQYSNBFCDKAG-NVXWUHKLSA-N 0 3 286.419 2.941 50 0 CFAAHN C[C@@H](NCCOc1cccc(F)c1)c1ccncc1 ZINC000095404397 375433101 /nfs/dbraw/zinc/43/31/01/375433101.db2.gz WXRMOMNQAIOMMU-GFCCVEGCSA-N 0 3 260.312 2.950 50 0 CFAAHN C[C@H](NCCOc1cccc(F)c1)c1ccncc1 ZINC000095404396 375433146 /nfs/dbraw/zinc/43/31/46/375433146.db2.gz WXRMOMNQAIOMMU-LBPRGKRZSA-N 0 3 260.312 2.950 50 0 CFAAHN CC1(C)C[C@@H](NCC(=O)Nc2ccccc2)C(C)(C)O1 ZINC000095421099 375441400 /nfs/dbraw/zinc/44/14/00/375441400.db2.gz METDYQIBBCFFCF-CYBMUJFWSA-N 0 3 276.380 2.561 50 0 CFAAHN COc1ccc(Cl)cc1[C@H](C)N[C@@H]1CCC(=O)N(C)C1 ZINC000095422859 375442783 /nfs/dbraw/zinc/44/27/83/375442783.db2.gz KOMFJWQWZIWNMK-CMPLNLGQSA-N 0 3 296.798 2.620 50 0 CFAAHN CCN(CC)C[C@H](N[C@H]1CCO[C@@H]1C)c1ccccc1 ZINC000095431671 375446784 /nfs/dbraw/zinc/44/67/84/375446784.db2.gz XBGBABYWGPVGGP-PVAVHDDUSA-N 0 3 276.424 2.837 50 0 CFAAHN COc1cc(CNC[C@@H]2CSCCS2)ccc1F ZINC000095437403 375449481 /nfs/dbraw/zinc/44/94/81/375449481.db2.gz GDNDOKQXUPUKJB-LLVKDONJSA-N 0 3 287.425 2.773 50 0 CFAAHN Cc1n[nH]c(C)c1CNC[C@H](O)c1ccc(Cl)cc1 ZINC000097159439 375533201 /nfs/dbraw/zinc/53/32/01/375533201.db2.gz YWBDYNAYQBJRMT-AWEZNQCLSA-N 0 3 279.771 2.503 50 0 CFAAHN CC(C)(C)c1n[nH]cc1CNC[C@H](O)c1ccc(F)cc1 ZINC000097159518 375534089 /nfs/dbraw/zinc/53/40/89/375534089.db2.gz PRLGYNJKGWYGOY-AWEZNQCLSA-N 0 3 291.370 2.670 50 0 CFAAHN O=C(/C=C\c1cccc(Cl)c1)NCCN1CCCCC1 ZINC000096401597 375485378 /nfs/dbraw/zinc/48/53/78/375485378.db2.gz DJKYTDSVXIEYFI-FPLPWBNLSA-N 0 3 292.810 2.955 50 0 CFAAHN COc1ccc([C@@H](C)N[C@@]2(C)CCOC2)cc1F ZINC000097038524 375498836 /nfs/dbraw/zinc/49/88/36/375498836.db2.gz JJVMFXMYFLMOHP-YGRLFVJLSA-N 0 3 253.317 2.664 50 0 CFAAHN O=C(CCN1CC[C@@H]2OCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000097045783 375499609 /nfs/dbraw/zinc/49/96/09/375499609.db2.gz WHVVKDCXCLTFGU-PBHICJAKSA-N 0 3 291.366 2.899 50 0 CFAAHN Cc1nc(C)c(CN(C)CCc2ccncc2)s1 ZINC000097235629 375544092 /nfs/dbraw/zinc/54/40/92/375544092.db2.gz CVFLBQWHGDMYFY-UHFFFAOYSA-N 0 3 261.394 2.829 50 0 CFAAHN CC(C)[C@H](N)C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000097234133 375544302 /nfs/dbraw/zinc/54/43/02/375544302.db2.gz ZYKVGHZLQMYZLG-HNNXBMFYSA-N 0 3 274.408 2.550 50 0 CFAAHN CC1(C)CCCC[C@@H]1NCC(=O)Nc1ccncc1 ZINC000097099903 375516626 /nfs/dbraw/zinc/51/66/26/375516626.db2.gz MDSXHARRCOKSDR-ZDUSSCGKSA-N 0 3 261.369 2.579 50 0 CFAAHN FC(F)(F)[C@@H]1CCCC[C@@H]1NCc1n[nH]c(C2CC2)n1 ZINC000097101725 375518369 /nfs/dbraw/zinc/51/83/69/375518369.db2.gz VPYATQONFUMORV-ZJUUUORDSA-N 0 3 288.317 2.893 50 0 CFAAHN Cc1nnc(CNC(C2CCCC2)C2CCCC2)n1C ZINC000097109826 375521651 /nfs/dbraw/zinc/52/16/51/375521651.db2.gz METGIZBZXLUFMO-UHFFFAOYSA-N 0 3 276.428 2.962 50 0 CFAAHN Cc1ccsc1CNCCC(=O)NC1CCCCC1 ZINC000097503693 375566443 /nfs/dbraw/zinc/56/64/43/375566443.db2.gz QYUFEZGAEHQNRY-UHFFFAOYSA-N 0 3 280.437 2.985 50 0 CFAAHN CN1CCCCC[C@@H]1C(=O)NCc1cccc(Cl)c1F ZINC000097578661 375568579 /nfs/dbraw/zinc/56/85/79/375568579.db2.gz DLICXYKBBMAWGX-CYBMUJFWSA-N 0 3 298.789 2.970 50 0 CFAAHN COc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c(F)c1 ZINC000097632176 375575308 /nfs/dbraw/zinc/57/53/08/375575308.db2.gz WTNMVVLCRUADJR-YOEHRIQHSA-N 0 3 293.382 2.961 50 0 CFAAHN C(=C\c1ccccc1)\CN1CCC[C@H](Cn2cncn2)C1 ZINC000101138708 375633752 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375521446 /nfs/dbraw/zinc/52/14/46/375521446.db2.gz LMRRIOYZDYXTBU-QGZVFWFLSA-N 0 3 291.439 2.815 50 0 CFAAHN Cc1csc([C@@H](C)NCCN2CCCCC2)n1 ZINC000097112093 375522955 /nfs/dbraw/zinc/52/29/55/375522955.db2.gz CODHXCJBJNUYKR-GFCCVEGCSA-N 0 3 253.415 2.588 50 0 CFAAHN CCCN1CCC(Nc2ccc([S@](C)=O)cc2)CC1 ZINC000097142011 375528755 /nfs/dbraw/zinc/52/87/55/375528755.db2.gz BDMDQHZSIIKRSO-LJQANCHMSA-N 0 3 280.437 2.710 50 0 CFAAHN CSCCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000097295250 375548570 /nfs/dbraw/zinc/54/85/70/375548570.db2.gz ZHVFQPYSDPRAQA-UHFFFAOYSA-N 0 3 261.394 2.715 50 0 CFAAHN CNC(=O)C(C)(C)CN[C@@H](C)c1cnc2ccsc2c1 ZINC000097373440 375553930 /nfs/dbraw/zinc/55/39/30/375553930.db2.gz CBIFMGBZDDHJKC-JTQLQIEISA-N 0 3 291.420 2.719 50 0 CFAAHN CC(C)c1ncc(CN2CCCC3(CCOCC3)C2)cn1 ZINC000097413406 375558101 /nfs/dbraw/zinc/55/81/01/375558101.db2.gz ABPQTJWPUMHNKL-UHFFFAOYSA-N 0 3 289.423 2.993 50 0 CFAAHN CSc1ccc(CN2CCC[C@@H]2CCO)cc1 ZINC000097474883 375564918 /nfs/dbraw/zinc/56/49/18/375564918.db2.gz QLJPVAJTFDZAEO-CYBMUJFWSA-N 0 3 251.395 2.755 50 0 CFAAHN c1nc(C2CCN(Cc3ccnc4ccccc34)CC2)no1 ZINC000097604228 375573483 /nfs/dbraw/zinc/57/34/83/375573483.db2.gz IEDHIQAXICQYRR-UHFFFAOYSA-N 0 3 294.358 2.997 50 0 CFAAHN COc1ccc(/C=C/CN2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000097635127 375575336 /nfs/dbraw/zinc/57/53/36/375575336.db2.gz UOLCTJNRDZJJEP-OMDKTOEGSA-N 0 3 298.390 2.706 50 0 CFAAHN FC(F)(F)Oc1cccc(-c2nc3c([nH]2)CNCC3)c1 ZINC000097730121 375582226 /nfs/dbraw/zinc/58/22/26/375582226.db2.gz ARLACPPSZNBUCB-UHFFFAOYSA-N 0 3 283.253 2.621 50 0 CFAAHN C[C@@H]1CC[C@@H](NCc2nnc(C3CCC3)n2C)[C@H](C)C1 ZINC000119571443 376438627 /nfs/dbraw/zinc/43/86/27/376438627.db2.gz WMUPTCMZBCYMKS-YRGRVCCFSA-N 0 3 276.428 2.997 50 0 CFAAHN c1nnc([C@H]2CCCCN2CCc2ccccc2)[nH]1 ZINC000121718198 376891639 /nfs/dbraw/zinc/89/16/39/376891639.db2.gz KXQFCPAERPXEFS-CQSZACIVSA-N 0 3 256.353 2.574 50 0 CFAAHN c1nnc([C@H]2CCCC[N@H+]2CCc2ccccc2)[n-]1 ZINC000121718198 376891656 /nfs/dbraw/zinc/89/16/56/376891656.db2.gz KXQFCPAERPXEFS-CQSZACIVSA-N 0 3 256.353 2.574 50 0 CFAAHN c1nnc([C@H]2CCCC[N@@H+]2CCc2ccccc2)[n-]1 ZINC000121718198 376891676 /nfs/dbraw/zinc/89/16/76/376891676.db2.gz KXQFCPAERPXEFS-CQSZACIVSA-N 0 3 256.353 2.574 50 0 CFAAHN CN1CCN(CCCSc2cccc(F)c2)CC1 ZINC000130964655 377637377 /nfs/dbraw/zinc/63/73/77/377637377.db2.gz JYROYBMCDKCROC-UHFFFAOYSA-N 0 3 268.401 2.555 50 0 CFAAHN c1cnn(CC2CCN(Cc3n[nH]c4ccccc43)CC2)c1 ZINC000019145639 542219470 /nfs/dbraw/zinc/21/94/70/542219470.db2.gz YTUSWRDAHMWMTI-UHFFFAOYSA-N 0 3 295.390 2.672 50 0 CFAAHN c1cnn(CC2CCN(Cc3[nH]nc4ccccc43)CC2)c1 ZINC000019145639 542219475 /nfs/dbraw/zinc/21/94/75/542219475.db2.gz YTUSWRDAHMWMTI-UHFFFAOYSA-N 0 3 295.390 2.672 50 0 CFAAHN Clc1ccccc1O[C@@H]1CCN(CCn2ccnc2)C1 ZINC000133353876 377924047 /nfs/dbraw/zinc/92/40/47/377924047.db2.gz AXCXPXQKNDJFDP-CYBMUJFWSA-N 0 3 291.782 2.690 50 0 CFAAHN c1ccc(-c2noc(-c3ccc(OC4CNC4)cc3)n2)cc1 ZINC000169676339 379107271 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/nfs/dbraw/zinc/33/85/24/382338524.db2.gz GZELXZBBLARGGE-UHFFFAOYSA-N 0 3 261.394 2.667 50 0 CFAAHN CSCc1cccc(CN[C@H]2CCO[C@@H]2C)c1 ZINC000188724877 382465055 /nfs/dbraw/zinc/46/50/55/382465055.db2.gz MYDRCNHZQIVZIS-RISCZKNCSA-N 0 3 251.395 2.817 50 0 CFAAHN CCN1CCN(c2cccc(N[C@@H]3CCSC3)c2)CC1 ZINC000190968397 382686833 /nfs/dbraw/zinc/68/68/33/382686833.db2.gz CTVNXKQQYKLOET-OAHLLOKOSA-N 0 3 291.464 2.746 50 0 CFAAHN Cc1occc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000193804489 382725783 /nfs/dbraw/zinc/72/57/83/382725783.db2.gz WOQGUHQPUKEUCQ-MRXNPFEDSA-N 0 3 298.386 2.840 50 0 CFAAHN CS[C@H](C)CCN(C)CCn1nc(C)cc1C ZINC000215959279 382781471 /nfs/dbraw/zinc/78/14/71/382781471.db2.gz LVJYVQGHHHTPTQ-CYBMUJFWSA-N 0 3 255.431 2.573 50 0 CFAAHN CCc1ccc(CN(C)CCC2(O)CCCC2)o1 ZINC000215924508 382781477 /nfs/dbraw/zinc/78/14/77/382781477.db2.gz HDSCTFUZDTWJFF-UHFFFAOYSA-N 0 3 251.370 2.969 50 0 CFAAHN COC[C@H]1CCN(C/C=C/c2ccc(OC)cc2)C1 ZINC000216198617 382782501 /nfs/dbraw/zinc/78/25/01/382782501.db2.gz AEZAIKLJAIYQAU-BWPKMQGJSA-N 0 3 261.365 2.677 50 0 CFAAHN CN(CCc1cnn(C)c1)CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000216503867 382783731 /nfs/dbraw/zinc/78/37/31/382783731.db2.gz SIOBXOOYWLSZJD-HOTGVXAUSA-N 0 3 273.424 2.887 50 0 CFAAHN Cc1cc([C@@H]2CCCN2C[C@@H](O)c2ccccc2)on1 ZINC000222039505 382800346 /nfs/dbraw/zinc/80/03/46/382800346.db2.gz UJPYNEKCQBOWSF-LSDHHAIUSA-N 0 3 272.348 2.854 50 0 CFAAHN C[C@H](CCN(C)[C@@H](C)C[S@@](C)=O)c1ccccc1 ZINC000221936618 382800357 /nfs/dbraw/zinc/80/03/57/382800357.db2.gz FRANEKMOHVLMRS-QWQRMKEZSA-N 0 3 267.438 2.879 50 0 CFAAHN c1cn(CCCN2CCCc3sccc3C2)cn1 ZINC000225548506 382818252 /nfs/dbraw/zinc/81/82/52/382818252.db2.gz YXYXFRMPSYCFKX-UHFFFAOYSA-N 0 3 261.394 2.783 50 0 CFAAHN CC[C@H](O)CN1CCS[C@@H](c2ccccc2)C1 ZINC000229709241 382852959 /nfs/dbraw/zinc/85/29/59/382852959.db2.gz HFFRCPGMPGSXHK-UONOGXRCSA-N 0 3 251.395 2.547 50 0 CFAAHN Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](C)Cn1cncn1 ZINC000230126041 382855885 /nfs/dbraw/zinc/85/58/85/382855885.db2.gz ISLPJLLWENTGAM-UMVBOHGHSA-N 0 3 270.380 2.813 50 0 CFAAHN CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1 ZINC000233984185 382872328 /nfs/dbraw/zinc/87/23/28/382872328.db2.gz BAALBEJWDMWAIK-UONOGXRCSA-N 0 3 278.421 2.889 50 0 CFAAHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000241587977 382983481 /nfs/dbraw/zinc/98/34/81/382983481.db2.gz OYRYNFXCKLFHQG-ZJIFWQFVSA-N 0 3 295.471 2.985 50 0 CFAAHN C[C@@H]1CCCCN1C1CN(CCCc2ccco2)C1 ZINC000244884178 382994281 /nfs/dbraw/zinc/99/42/81/382994281.db2.gz YGUZKAUAADGBPC-CQSZACIVSA-N 0 3 262.397 2.771 50 0 CFAAHN Cc1ccc(OCCN(C)CC2(C)COC2)c(C)c1 ZINC000244872809 382994413 /nfs/dbraw/zinc/99/44/13/382994413.db2.gz WERKSQZDOUOPAK-UHFFFAOYSA-N 0 3 263.381 2.651 50 0 CFAAHN c1ccc(C2CN(CCCc3cccnc3)C2)nc1 ZINC000244882432 382994600 /nfs/dbraw/zinc/99/46/00/382994600.db2.gz XROAOGLRSGIRLX-UHFFFAOYSA-N 0 3 253.349 2.509 50 0 CFAAHN O[C@@H](CN(C[C@H]1CCCO1)C1CC1)c1ccc(F)cc1 ZINC000245339343 382997461 /nfs/dbraw/zinc/99/74/61/382997461.db2.gz SDVBRRUTFLVHJS-CVEARBPZSA-N 0 3 279.355 2.503 50 0 CFAAHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@H]1CCCCO1 ZINC000247084260 383141607 /nfs/dbraw/zinc/14/16/07/383141607.db2.gz HFNMMTITZWRULZ-HUUCEWRRSA-N 0 3 277.412 2.743 50 0 CFAAHN Cc1c[nH]cc1C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458286843 383152800 /nfs/dbraw/zinc/15/28/00/383152800.db2.gz OPKWFKDJNKOVET-UHFFFAOYSA-N 0 3 271.364 2.945 50 0 CFAAHN CCOCCN1CCN(CCCc2ccccc2)C[C@H]1C ZINC000247399526 383169761 /nfs/dbraw/zinc/16/97/61/383169761.db2.gz YHRFFBSZTCOEOK-QGZVFWFLSA-N 0 3 290.451 2.662 50 0 CFAAHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cncc(F)c1 ZINC000248729834 383285499 /nfs/dbraw/zinc/28/54/99/383285499.db2.gz OGOYOIRALYDIKH-BSLXNSKLSA-N 0 3 276.355 2.829 50 0 CFAAHN CN(CCn1cnc2ccccc21)C[C@H]1CCCCO1 ZINC000252500556 383413945 /nfs/dbraw/zinc/41/39/45/383413945.db2.gz SXQWHHBQEHWTHQ-CQSZACIVSA-N 0 3 273.380 2.537 50 0 CFAAHN CCc1ccc(CNCc2ccc(C)n(C)c2=O)cc1 ZINC000253419554 383457398 /nfs/dbraw/zinc/45/73/98/383457398.db2.gz PESKHWMNZBRITL-UHFFFAOYSA-N 0 3 270.376 2.546 50 0 CFAAHN Cn1ccc(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000253428669 383458395 /nfs/dbraw/zinc/45/83/95/383458395.db2.gz KJNRBWPVNPBNGQ-UKRRQHHQSA-N 0 3 273.355 2.985 50 0 CFAAHN O=C1CCCN1CCN1CCC[C@H]1/C=C/c1ccccc1 ZINC000253425518 383458726 /nfs/dbraw/zinc/45/87/26/383458726.db2.gz FLQYHCCYMNXOPI-DVQDXYAYSA-N 0 3 284.403 2.787 50 0 CFAAHN CSc1ccccc1[C@@H](C)NCCn1cccn1 ZINC000194920580 533057663 /nfs/dbraw/zinc/05/76/63/533057663.db2.gz YNUFCFZMYNCLFG-GFCCVEGCSA-N 0 3 261.394 2.956 50 0 CFAAHN COC(=O)[C@H]1CCN[C@H]1c1ccc(Cl)cc1Cl ZINC000004237837 291876471 /nfs/dbraw/zinc/87/64/71/291876471.db2.gz RFRBPJHBTIEEOF-ONGXEEELSA-N 0 3 274.147 2.817 50 0 CFAAHN Cc1ccc(Cl)c(OCCOCCN(C)C)c1 ZINC000002822722 256857121 /nfs/dbraw/zinc/85/71/21/256857121.db2.gz XKQLEIRWAUZZRA-UHFFFAOYSA-N 0 3 257.761 2.605 50 0 CFAAHN Cc1nc(C)c(CNC[C@](C)(CO)c2ccccc2)s1 ZINC000342186002 130320592 /nfs/dbraw/zinc/32/05/92/130320592.db2.gz CUNFKMOSYNAWFX-MRXNPFEDSA-N 0 3 290.432 2.800 50 0 CFAAHN CN(C)C[C@H]1CSCC[C@]1(O)c1cccc(Cl)c1 ZINC000000347742 393449998 /nfs/dbraw/zinc/44/99/98/393449998.db2.gz QKNJHOKHYFXNOT-JSGCOSHPSA-N 0 3 285.840 2.842 50 0 CFAAHN CC1=C[C@H](C)C(=O)N(C[C@@H](C)N2CCCC2)C(C)=C1 ZINC000001721916 393452311 /nfs/dbraw/zinc/45/23/11/393452311.db2.gz SJFGMTIVTZSZIV-DZGCQCFKSA-N 0 3 262.397 2.799 50 0 CFAAHN N=C1Nc2nc3ccccc3n2[C@@H](C2CCCCC2)N1 ZINC000007126124 393466075 /nfs/dbraw/zinc/46/60/75/393466075.db2.gz ITUVGSUPJLAJKY-ZDUSSCGKSA-N 0 3 269.352 2.665 50 0 CFAAHN Cc1cc(NN)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000040478749 393542088 /nfs/dbraw/zinc/54/20/88/393542088.db2.gz FDFHCZXEXGVTAF-UHFFFAOYSA-N 0 3 268.242 2.756 50 0 CFAAHN COc1cccc(OCCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020167290 393486317 /nfs/dbraw/zinc/48/63/17/393486317.db2.gz ZSGDBSFUHNUNLB-HUUCEWRRSA-N 0 3 293.407 2.963 50 0 CFAAHN CC[C@@H]1c2ccsc2CCN1C(=O)NC[C@@H](C)N(C)C ZINC000065440458 393631610 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CFAAHN C[C@H](CC1CCOCC1)N[C@H](C)C(=O)Nc1ccccc1 ZINC000089615157 179830128 /nfs/dbraw/zinc/83/01/28/179830128.db2.gz LQQICLSMIWSVQU-ZIAGYGMSSA-N 0 3 290.407 2.808 50 0 CFAAHN Fc1ccc([C@@H](CNc2ncccn2)N2CCCC2)cc1 ZINC000091321516 180134549 /nfs/dbraw/zinc/13/45/49/180134549.db2.gz LMJVQNTWYHFBGC-OAHLLOKOSA-N 0 3 286.354 2.865 50 0 CFAAHN Cc1nc(N)cc(N(C)Cc2cnc3ccccc3c2)n1 ZINC000091459879 180161891 /nfs/dbraw/zinc/16/18/91/180161891.db2.gz KWDOAKLSFOBDRO-UHFFFAOYSA-N 0 3 279.347 2.552 50 0 CFAAHN Cc1cccnc1CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631199 180210002 /nfs/dbraw/zinc/21/00/02/180210002.db2.gz IUJKOQGSXTWORL-AWEZNQCLSA-N 0 3 297.406 2.696 50 0 CFAAHN CC[C@]1(CO)CCCN(CCOc2ccccc2)C1 ZINC000091780659 180252340 /nfs/dbraw/zinc/25/23/40/180252340.db2.gz IZLXUCZUYVIOOE-INIZCTEOSA-N 0 3 263.381 2.550 50 0 CFAAHN CC(C)CCN1CCN(Cc2cccs2)C[C@H]1CCO ZINC000105626933 186065630 /nfs/dbraw/zinc/06/56/30/186065630.db2.gz UOQHGTPHOYYCCE-OAHLLOKOSA-N 0 3 296.480 2.663 50 0 CFAAHN 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ZINC000952968591 650789878 /nfs/dbraw/zinc/78/98/78/650789878.db2.gz NIAUIQHHDZIEMR-MRXNPFEDSA-N 0 3 288.435 2.931 50 0 CFAAHN Cc1cc2cccc(NC(=O)N3CC[C@@H](N(C)C)C3)c2o1 ZINC000095518454 185002256 /nfs/dbraw/zinc/00/22/56/185002256.db2.gz QTFMAAZXJLLZLH-CYBMUJFWSA-N 0 3 287.363 2.909 50 0 CFAAHN CCC[C@@H](O)CN(Cc1ccccc1OC)C1CC1 ZINC000036102881 260153813 /nfs/dbraw/zinc/15/38/13/260153813.db2.gz OYTYZLSRPQUSMO-OAHLLOKOSA-N 0 3 263.381 2.821 50 0 CFAAHN c1nnc([C@H]([NH2+]C2CCCCC2)c2ccccc2)[n-]1 ZINC000095940861 185036082 /nfs/dbraw/zinc/03/60/82/185036082.db2.gz OSBHJWXRNKTYCI-CQSZACIVSA-N 0 3 256.353 2.816 50 0 CFAAHN c1nnc([C@H](NC2CCCCC2)c2ccccc2)[nH]1 ZINC000095940861 185036084 /nfs/dbraw/zinc/03/60/84/185036084.db2.gz OSBHJWXRNKTYCI-CQSZACIVSA-N 0 3 256.353 2.816 50 0 CFAAHN CC[C@H](C(=O)N1CC=C(c2ccccc2F)CC1)N(C)C ZINC000095945417 185038134 /nfs/dbraw/zinc/03/81/34/185038134.db2.gz RZMSQDYDQRDYRY-MRXNPFEDSA-N 0 3 290.382 2.782 50 0 CFAAHN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCc1ccccn1 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Cc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@H]2CCCO2)c(F)c1 ZINC000248619876 348275066 /nfs/dbraw/zinc/27/50/66/348275066.db2.gz SQLKLBYKDLMPQA-TYNCELHUSA-N 0 3 294.370 2.618 50 0 CFAAHN CC(C)N(C)C(=O)[C@H](C)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000253370339 348300893 /nfs/dbraw/zinc/30/08/93/348300893.db2.gz POALPRIWFLZQLE-TUAOUCFPSA-N 0 3 294.361 2.952 50 0 CFAAHN Fc1cccc(-n2cc(CN[C@H]3CCCSC3)cn2)c1 ZINC000584895470 348729831 /nfs/dbraw/zinc/72/98/31/348729831.db2.gz SXIREVOXQLJFKQ-AWEZNQCLSA-N 0 3 291.395 2.997 50 0 CFAAHN Fc1ccccc1-c1cc(CNC2CCOCC2)on1 ZINC000584901346 348732776 /nfs/dbraw/zinc/73/27/76/348732776.db2.gz APZZVJMWNQINFY-UHFFFAOYSA-N 0 3 276.311 2.749 50 0 CFAAHN Cc1cccc(C)c1CNC[C@@H](O)c1ccncc1 ZINC000091064304 180093333 /nfs/dbraw/zinc/09/33/33/180093333.db2.gz QXFSQSCICUBAOR-MRXNPFEDSA-N 0 3 256.349 2.522 50 0 CFAAHN C[C@H]1CCCCN1C1CN(C(=O)CCc2ccsc2)C1 ZINC000091270333 180118027 /nfs/dbraw/zinc/11/80/27/180118027.db2.gz WBXPQWQRQWOFDG-ZDUSSCGKSA-N 0 3 292.448 2.766 50 0 CFAAHN 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Cc1cc2cc(CN[C@@H]3CCC(=O)N(C)C3)oc2cc1C ZINC000098018566 540884720 /nfs/dbraw/zinc/88/47/20/540884720.db2.gz NECGRFOPFZKVCU-CQSZACIVSA-N 0 3 286.375 2.760 50 0 CFAAHN Cc1ccc(F)cc1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000180285461 189248313 /nfs/dbraw/zinc/24/83/13/189248313.db2.gz ZLCDMMUNBFIZSD-AWEZNQCLSA-N 0 3 288.370 2.638 50 0 CFAAHN COc1c(F)cccc1CN1C[C@H]2CCC[C@@H](C1)N(C)C2 ZINC000670440527 540995874 /nfs/dbraw/zinc/99/58/74/540995874.db2.gz MQGGNQBDOGLHLO-ZFWWWQNUSA-N 0 3 292.398 2.750 50 0 CFAAHN Cn1cncc1CCN1CCC(C(=O)c2ccccc2)CC1 ZINC000459300139 245129021 /nfs/dbraw/zinc/12/90/21/245129021.db2.gz UYMSAUXPIINUHA-UHFFFAOYSA-N 0 3 297.402 2.558 50 0 CFAAHN CC(C)(C)c1ccccc1OC[C@@H](O)CN1CCCC1 ZINC000000445452 371616946 /nfs/dbraw/zinc/61/69/46/371616946.db2.gz YLENMCCPLWMSNC-AWEZNQCLSA-N 0 3 277.408 2.820 50 0 CFAAHN COc1ccc(CC(=O)O[C@H](C)CN2CCCCC2)cc1 ZINC000000250434 371569770 /nfs/dbraw/zinc/56/97/70/371569770.db2.gz VQXJELAYBFYCMM-CQSZACIVSA-N 0 3 291.391 2.655 50 0 CFAAHN CCCN(CCO)Cc1ccc(F)c(Br)c1 ZINC000000278994 371576171 /nfs/dbraw/zinc/57/61/71/371576171.db2.gz UHYCIVZZCRRYBX-UHFFFAOYSA-N 0 3 290.176 2.793 50 0 CFAAHN O=C(O[C@@H]1CN2CCC1CC2)c1cccc(Cl)c1 ZINC000000317135 371585741 /nfs/dbraw/zinc/58/57/41/371585741.db2.gz DFNQCAZXMFUWAM-CYBMUJFWSA-N 0 3 265.740 2.591 50 0 CFAAHN COc1cccc(C(=O)O[C@@H](C)CN2CCCCC2)c1 ZINC000000375661 371598691 /nfs/dbraw/zinc/59/86/91/371598691.db2.gz IUXSRSZLONIJHD-ZDUSSCGKSA-N 0 3 277.364 2.726 50 0 CFAAHN Cc1ccc(NC(=O)OCCN(C)C)cc1Cl ZINC000000395376 371603744 /nfs/dbraw/zinc/60/37/44/371603744.db2.gz HJFVQVJNXWQVBM-UHFFFAOYSA-N 0 3 256.733 2.759 50 0 CFAAHN CCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000000525871 371635249 /nfs/dbraw/zinc/63/52/49/371635249.db2.gz YZOFFOOGEUJNQN-DZGCQCFKSA-N 0 3 258.365 2.539 50 0 CFAAHN Cc1ccc(OCC(=O)O[C@H](C)CN2CCCCC2)cc1 ZINC000000787293 371648933 /nfs/dbraw/zinc/64/89/33/371648933.db2.gz TVQLHPKWVXDDCN-OAHLLOKOSA-N 0 3 291.391 2.791 50 0 CFAAHN CCCCNCc1ccc(OC)c(OC)c1OC ZINC000002184705 371718307 /nfs/dbraw/zinc/71/83/07/371718307.db2.gz XZEQMSOWOSOIIA-UHFFFAOYSA-N 0 3 253.342 2.602 50 0 CFAAHN CCN(CC)CCOC(=O)Nc1cc(C)ccc1OC ZINC000002171807 371718789 /nfs/dbraw/zinc/71/87/89/371718789.db2.gz OCQDRDMRPDUCFO-UHFFFAOYSA-N 0 3 280.368 2.894 50 0 CFAAHN CC(C)(C)NCC(=O)Nc1ccc(F)cc1Cl ZINC000003325971 371790840 /nfs/dbraw/zinc/79/08/40/371790840.db2.gz KGXJXTHZYCQJGC-UHFFFAOYSA-N 0 3 258.724 2.806 50 0 CFAAHN OCCCNc1c2ccccc2nc2c1CCCC2 ZINC000004112178 371834662 /nfs/dbraw/zinc/83/46/62/371834662.db2.gz UERCSLZWQCHLKU-UHFFFAOYSA-N 0 3 256.349 2.908 50 0 CFAAHN O=C(NCCNCc1ccc(Cl)cc1)c1cccs1 ZINC000004498096 371858803 /nfs/dbraw/zinc/85/88/03/371858803.db2.gz TVYDIHMBULDIJS-UHFFFAOYSA-N 0 3 294.807 2.921 50 0 CFAAHN COc1ccccc1NC(=O)OC[C@@H]1CCCCN1C ZINC000004566633 371864509 /nfs/dbraw/zinc/86/45/09/371864509.db2.gz FXRAYLUFYVJHQO-LBPRGKRZSA-N 0 3 278.352 2.728 50 0 CFAAHN CCc1ccc(OC[C@H](O)CN2CCC(C)CC2)cc1 ZINC000004990370 371878050 /nfs/dbraw/zinc/87/80/50/371878050.db2.gz ZIWGGCSBKSRYGW-MRXNPFEDSA-N 0 3 277.408 2.721 50 0 CFAAHN CC(=O)c1ccc(OC[C@@H](O)CN2CCCC[C@@H]2C)cc1 ZINC000004192322 371840083 /nfs/dbraw/zinc/84/00/83/371840083.db2.gz AXQKWRMPCYVYQL-BBRMVZONSA-N 0 3 291.391 2.503 50 0 CFAAHN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C)C1 ZINC000012003427 371941140 /nfs/dbraw/zinc/94/11/40/371941140.db2.gz QIUWVFYPCZAVEC-KRWDZBQOSA-N 0 3 291.391 2.731 50 0 CFAAHN CN(CC(=O)NCc1ccccc1)C1CCCCC1 ZINC000013323121 372023451 /nfs/dbraw/zinc/02/34/51/372023451.db2.gz MIYBENHZBNEOLJ-UHFFFAOYSA-N 0 3 260.381 2.567 50 0 CFAAHN Cc1cccc2cc(CNCCCO)c(Cl)nc12 ZINC000013535470 372031292 /nfs/dbraw/zinc/03/12/92/372031292.db2.gz CWOLMRXPEPEQJM-UHFFFAOYSA-N 0 3 264.756 2.669 50 0 CFAAHN CN(C)Cc1ccccc1Sc1ccc(CO)cc1N ZINC000013646007 372038127 /nfs/dbraw/zinc/03/81/27/372038127.db2.gz IAGCXXVAWFKIDP-UHFFFAOYSA-N 0 3 288.416 2.974 50 0 CFAAHN CCOc1ccc(Cl)cc1CNCCCCCO ZINC000013727072 372045040 /nfs/dbraw/zinc/04/50/40/372045040.db2.gz AZGHYQAOZRBVJK-UHFFFAOYSA-N 0 3 271.788 2.991 50 0 CFAAHN CCN1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000016604175 372112800 /nfs/dbraw/zinc/11/28/00/372112800.db2.gz IRPKVJFIIWNBSR-UHFFFAOYSA-N 0 3 266.772 2.554 50 0 CFAAHN O=C(Nc1cccnc1)C1CCN(Cc2ccccc2)CC1 ZINC000016606200 372113618 /nfs/dbraw/zinc/11/36/18/372113618.db2.gz IXXHKHYCMBZJFP-UHFFFAOYSA-N 0 3 295.386 2.932 50 0 CFAAHN CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000016607432 372114897 /nfs/dbraw/zinc/11/48/97/372114897.db2.gz RKWCJUFCCBXSJD-UHFFFAOYSA-N 0 3 278.371 2.564 50 0 CFAAHN COc1ccc(CN(C)C[C@H](O)c2ccccc2)cc1 ZINC000016662610 372115692 /nfs/dbraw/zinc/11/56/92/372115692.db2.gz NJFPPZNECNORBX-KRWDZBQOSA-N 0 3 271.360 2.861 50 0 CFAAHN Cn1c(CNCc2cccnc2)cc2ccccc21 ZINC000016941695 372120854 /nfs/dbraw/zinc/12/08/54/372120854.db2.gz XSHUPXCAYYEEAJ-UHFFFAOYSA-N 0 3 251.333 2.863 50 0 CFAAHN CCOc1cc([C@@H]2NCC[C@]3(O)CCCC[C@@H]23)ccc1O ZINC000015955514 372096145 /nfs/dbraw/zinc/09/61/45/372096145.db2.gz FJRAFGQYLIQWHC-RRQGHBQHSA-N 0 3 291.391 2.747 50 0 CFAAHN CN(C(=O)Nc1cccc(Cl)c1)C1CCN(C)CC1 ZINC000018174950 372143173 /nfs/dbraw/zinc/14/31/73/372143173.db2.gz BLVJEIQLWGTTKM-UHFFFAOYSA-N 0 3 281.787 2.898 50 0 CFAAHN Cc1ccccc1COc1cccc(N2CCNCC2)c1 ZINC000019688531 372180508 /nfs/dbraw/zinc/18/05/08/372180508.db2.gz RCLLHVJQXBOSFZ-UHFFFAOYSA-N 0 3 282.387 2.984 50 0 CFAAHN CCN1CCC[C@@H]1CNCc1ccccc1Cl ZINC000019369214 372158439 /nfs/dbraw/zinc/15/84/39/372158439.db2.gz RWEKAEFOBTXOND-CYBMUJFWSA-N 0 3 252.789 2.914 50 0 CFAAHN CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000019608883 372179091 /nfs/dbraw/zinc/17/90/91/372179091.db2.gz ITIWMMANTTWFFP-UHFFFAOYSA-N 0 3 288.313 2.723 50 0 CFAAHN C[C@@H](NCCc1ccccn1)c1nc2ccccc2n1C ZINC000019916828 372210111 /nfs/dbraw/zinc/21/01/11/372210111.db2.gz UTAJOFMQECIBJY-CYBMUJFWSA-N 0 3 280.375 2.862 50 0 CFAAHN CCCOc1ccc(Br)cc1CNC ZINC000019776891 372186572 /nfs/dbraw/zinc/18/65/72/372186572.db2.gz PYGSIPRBXKMWKE-UHFFFAOYSA-N 0 3 258.159 2.957 50 0 CFAAHN O=C(Cc1ccccc1)N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000019790058 372187846 /nfs/dbraw/zinc/18/78/46/372187846.db2.gz ZONZVGRQOSCENA-SFHVURJKSA-N 0 3 298.430 2.730 50 0 CFAAHN CN1CC[C@@H](c2nc(C3(c4ccccc4)CCC3)no2)C1 ZINC000019840084 372198099 /nfs/dbraw/zinc/19/80/99/372198099.db2.gz MJZGTWQPUUIFLH-CYBMUJFWSA-N 0 3 283.375 2.959 50 0 CFAAHN Cc1ccc(CNC(=O)[C@H](C)N2CCCCCC2)cc1 ZINC000026462946 372322527 /nfs/dbraw/zinc/32/25/27/372322527.db2.gz JBIYMCXLWIRUIV-HNNXBMFYSA-N 0 3 274.408 2.876 50 0 CFAAHN O=C(CCC1CCCCC1)N1CCN2CCC[C@H]2C1 ZINC000027932653 372353208 /nfs/dbraw/zinc/35/32/08/372353208.db2.gz AHIGYCUYHPZAMQ-HNNXBMFYSA-N 0 3 264.413 2.654 50 0 CFAAHN Cc1ccsc1CN[C@H]1CCCc2c1cnn2C ZINC000030908727 372401441 /nfs/dbraw/zinc/40/14/41/372401441.db2.gz AAZVITNDYBVRJJ-LBPRGKRZSA-N 0 3 261.394 2.957 50 0 CFAAHN CCC(C)(C)NCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000032513522 372441184 /nfs/dbraw/zinc/44/11/84/372441184.db2.gz QMRRBNFRIZQSJE-UHFFFAOYSA-N 0 3 292.379 2.565 50 0 CFAAHN CC[C@H](NCC(=O)NC(C)C)c1cccc(Cl)c1 ZINC000036781600 372593931 /nfs/dbraw/zinc/59/39/31/372593931.db2.gz TZZXMPIQPSGBSG-ZDUSSCGKSA-N 0 3 268.788 2.905 50 0 CFAAHN CCC[C@@H](N)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000037020914 372635824 /nfs/dbraw/zinc/63/58/24/372635824.db2.gz VXYGDOHMIGHOGC-HTQZYQBOSA-N 0 3 260.790 2.706 50 0 CFAAHN O=C1Nc2ccccc2[C@]12CCN[C@@H]2c1ccccc1F ZINC000040267440 372782967 /nfs/dbraw/zinc/78/29/67/372782967.db2.gz ZECYVONKCZAGLN-WBVHZDCISA-N 0 3 282.318 2.750 50 0 CFAAHN CC[C@H](CO)NCc1cc(Cl)ccc1OC(C)C ZINC000040730318 372784506 /nfs/dbraw/zinc/78/45/06/372784506.db2.gz DHNDJOLYCNCFTQ-CYBMUJFWSA-N 0 3 271.788 2.988 50 0 CFAAHN Clc1cc(Cl)c(OC2CNC2)cc1Cl ZINC000042769861 372954932 /nfs/dbraw/zinc/95/49/32/372954932.db2.gz RTLKXDHOHLANTD-UHFFFAOYSA-N 0 3 252.528 2.997 50 0 CFAAHN c1ccc(CCNCc2nc3ccccc3[nH]2)cc1 ZINC000043258152 372985268 /nfs/dbraw/zinc/98/52/68/372985268.db2.gz SDGQUKCSRJGZHQ-UHFFFAOYSA-N 0 3 251.333 2.895 50 0 CFAAHN C[C@H]1CCCN(CCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000046878904 373067579 /nfs/dbraw/zinc/06/75/79/373067579.db2.gz WUIRKBBSNUUAPK-NSHDSACASA-N 0 3 298.789 2.941 50 0 CFAAHN O=C(N[C@@H]1CCc2ccccc21)NC1CCN(C2CC2)CC1 ZINC000048283670 373158613 /nfs/dbraw/zinc/15/86/13/373158613.db2.gz SSGPKZNKRYXDDM-QGZVFWFLSA-N 0 3 299.418 2.600 50 0 CFAAHN c1cnc(-c2noc(C3CN(CC4CCCCC4)C3)n2)cn1 ZINC000049485501 373304391 /nfs/dbraw/zinc/30/43/91/373304391.db2.gz XXVDOZBXGHNHAL-UHFFFAOYSA-N 0 3 299.378 2.506 50 0 CFAAHN CC(C)N(CCO)Cc1cc(F)cc2cccnc21 ZINC000050103797 373351874 /nfs/dbraw/zinc/35/18/74/373351874.db2.gz XANTVVZFNTZCPL-UHFFFAOYSA-N 0 3 262.328 2.577 50 0 CFAAHN COCCCNCc1nn(C(C)C)nc1-c1ccccc1 ZINC000057353278 373589579 /nfs/dbraw/zinc/58/95/79/373589579.db2.gz JVTBVVMMPOSAGI-UHFFFAOYSA-N 0 3 288.395 2.652 50 0 CFAAHN CCN1CCC[C@H]1CNC(=O)CCn1ccc2ccccc21 ZINC000055208668 373544045 /nfs/dbraw/zinc/54/40/45/373544045.db2.gz PYZQDWAOWWHKFK-INIZCTEOSA-N 0 3 299.418 2.632 50 0 CFAAHN C[C@H](NCc1ccccc1)C(=O)Nc1ccccc1 ZINC000055420890 373552464 /nfs/dbraw/zinc/55/24/64/373552464.db2.gz XHSUXBNTECAPJX-ZDUSSCGKSA-N 0 3 254.333 2.803 50 0 CFAAHN O=C(c1ccc(F)cc1F)N1CCC[C@H]1CN1CCCC1 ZINC000058392920 373653187 /nfs/dbraw/zinc/65/31/87/373653187.db2.gz ILYYHGGSHRNVTK-ZDUSSCGKSA-N 0 3 294.345 2.665 50 0 CFAAHN O=C(CN1CCCCCC1)NCCc1ccc(Cl)cc1 ZINC000057827221 373614734 /nfs/dbraw/zinc/61/47/34/373614734.db2.gz OIEACDVFOHRSDQ-UHFFFAOYSA-N 0 3 294.826 2.875 50 0 CFAAHN Cc1cc(N2CCN(Cc3ccccc3)CC2)ccc1N ZINC000059233826 373679171 /nfs/dbraw/zinc/67/91/71/373679171.db2.gz FPOQNYSKBIUUSE-UHFFFAOYSA-N 0 3 281.403 2.899 50 0 CFAAHN NC[C@@H](C(=O)N1CCCCCCC1)c1ccccc1 ZINC000061611043 373721682 /nfs/dbraw/zinc/72/16/82/373721682.db2.gz ZSWZRCGGLHYUQX-OAHLLOKOSA-N 0 3 260.381 2.522 50 0 CFAAHN Cc1cc(CNCCc2nccs2)ccc1F ZINC000063133925 373786243 /nfs/dbraw/zinc/78/62/43/373786243.db2.gz HNNMUZCJBHRBGB-UHFFFAOYSA-N 0 3 250.342 2.923 50 0 CFAAHN CCCc1cnc(C)nc1N1CC(N2CCCC[C@@H]2C)C1 ZINC000065530898 373884578 /nfs/dbraw/zinc/88/45/78/373884578.db2.gz RHEQCUJJHUTHIO-ZDUSSCGKSA-N 0 3 288.439 2.801 50 0 CFAAHN CCn1ccc2c1cccc2CN1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000065395323 373863932 /nfs/dbraw/zinc/86/39/32/373863932.db2.gz YZMILIZOYOXADQ-CABCVRRESA-N 0 3 297.402 2.514 50 0 CFAAHN Cc1ccc(F)cc1CNCCC(=O)N1CCC[C@H](C)C1 ZINC000065385656 373863978 /nfs/dbraw/zinc/86/39/78/373863978.db2.gz FCCMTYFADMTITB-ZDUSSCGKSA-N 0 3 292.398 2.872 50 0 CFAAHN CCCc1cc(NC[C@@]2(N(C)C)CCSC2)nc(C)n1 ZINC000065398456 373866379 /nfs/dbraw/zinc/86/63/79/373866379.db2.gz RQGPZMNCTNGHLC-HNNXBMFYSA-N 0 3 294.468 2.587 50 0 CFAAHN Cc1cccnc1C[C@@H](C)N(C)Cc1ccc(CO)o1 ZINC000065408413 373868191 /nfs/dbraw/zinc/86/81/91/373868191.db2.gz NCAUHPLWAQDLGM-CYBMUJFWSA-N 0 3 274.364 2.538 50 0 CFAAHN CC[C@@H](C(=O)NCC1=CCCN(C)C1)c1ccccc1 ZINC000065423581 373871392 /nfs/dbraw/zinc/87/13/92/373871392.db2.gz SVTBXYISUJNTIQ-MRXNPFEDSA-N 0 3 272.392 2.558 50 0 CFAAHN CO[C@@H](CNCc1c(C)n[nH]c1C)c1ccccc1 ZINC000065488963 373877793 /nfs/dbraw/zinc/87/77/93/373877793.db2.gz OJWJBQZOAVEVJF-HNNXBMFYSA-N 0 3 259.353 2.504 50 0 CFAAHN CN1[C@@H]2CC[C@H]1CCN(C(=O)C1(C)CCCCC1)C2 ZINC000067755696 373999700 /nfs/dbraw/zinc/99/97/00/373999700.db2.gz HJSZUMSDTFJUQL-UONOGXRCSA-N 0 3 264.413 2.652 50 0 CFAAHN Cc1cc(C)n(C[C@H](C)NCc2cnc3c(C)cccn23)n1 ZINC000067804945 374004125 /nfs/dbraw/zinc/00/41/25/374004125.db2.gz ZAHXBEHOGKUJKR-AWEZNQCLSA-N 0 3 297.406 2.634 50 0 CFAAHN CC(C)NC(=O)NCC[C@@H]1CCCN(Cc2ccco2)C1 ZINC000067935318 374015978 /nfs/dbraw/zinc/01/59/78/374015978.db2.gz GZFGYFSKPPLXCG-AWEZNQCLSA-N 0 3 293.411 2.589 50 0 CFAAHN Nc1nc(-c2ccc(-c3ccccc3CO)cc2)c[nH]1 ZINC000067948102 374017222 /nfs/dbraw/zinc/01/72/22/374017222.db2.gz CKFLDSMDVYISEG-UHFFFAOYSA-N 0 3 265.316 2.818 50 0 CFAAHN CN(C)Cc1cccc(NC(=O)OCC(F)(F)F)c1 ZINC000068592382 374033911 /nfs/dbraw/zinc/03/39/11/374033911.db2.gz CTWGDAGGOKZBPK-UHFFFAOYSA-N 0 3 276.258 2.859 50 0 CFAAHN COc1ccc(CN[C@H](C)[C@H](C)n2cccn2)cc1F ZINC000069372705 374057304 /nfs/dbraw/zinc/05/73/04/374057304.db2.gz HBGDVFJRLKLZMB-NEPJUHHUSA-N 0 3 277.343 2.770 50 0 CFAAHN C[C@@H](NCc1cnn(-c2ccccc2)c1)[C@@H](C)n1cccn1 ZINC000069371999 374057898 /nfs/dbraw/zinc/05/78/98/374057898.db2.gz OILHUZGWZSVGEE-HUUCEWRRSA-N 0 3 295.390 2.808 50 0 CFAAHN COc1ccc(CN[C@@H](C)[C@@H](C)n2cccn2)cc1OC ZINC000069372107 374058176 /nfs/dbraw/zinc/05/81/76/374058176.db2.gz MYYHEOUBMQKYRX-QWHCGFSZSA-N 0 3 289.379 2.640 50 0 CFAAHN CCCN1CCN(CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000069444073 374064374 /nfs/dbraw/zinc/06/43/74/374064374.db2.gz QNDQEEMTZVADMC-CVEARBPZSA-N 0 3 268.445 2.609 50 0 CFAAHN Cc1cnn([C@H](C)[C@@H](C)NCc2c[nH]nc2C(C)(C)C)c1 ZINC000069454089 374065293 /nfs/dbraw/zinc/06/52/93/374065293.db2.gz ZUNKISPTOVBZNX-CHWSQXEVSA-N 0 3 289.427 2.951 50 0 CFAAHN Cc1cnn([C@@H](C)[C@H](C)NCc2cccnc2C)c1 ZINC000069454114 374065543 /nfs/dbraw/zinc/06/55/43/374065543.db2.gz ATKQSPUFMOGDKV-JSGCOSHPSA-N 0 3 258.369 2.634 50 0 CFAAHN Cc1cc(C)n(C[C@@H]2CCCN2Cc2c(C)noc2C)n1 ZINC000070010491 374114620 /nfs/dbraw/zinc/11/46/20/374114620.db2.gz ONTWWRCSPARXBN-HNNXBMFYSA-N 0 3 288.395 2.769 50 0 CFAAHN Cc1nc(C)n(C[C@H]2CCCN([C@@H](C)c3cccnc3)C2)n1 ZINC000070020933 374116726 /nfs/dbraw/zinc/11/67/26/374116726.db2.gz IWSXWDNJFXYTTL-BBRMVZONSA-N 0 3 299.422 2.763 50 0 CFAAHN CCN1CCCN(C(=O)CCCc2ccccc2)CC1 ZINC000069809047 374100041 /nfs/dbraw/zinc/10/00/41/374100041.db2.gz WZDXZYNGSFAFEH-UHFFFAOYSA-N 0 3 274.408 2.564 50 0 CFAAHN Cc1cnn(CCNCc2ccc(Cl)c(F)c2)c1 ZINC000069892426 374106649 /nfs/dbraw/zinc/10/66/49/374106649.db2.gz OWUVDAPHUXODSP-UHFFFAOYSA-N 0 3 267.735 2.774 50 0 CFAAHN CS[C@H](C)CCN1CCN(c2ncccc2C)CC1 ZINC000072140457 374234211 /nfs/dbraw/zinc/23/42/11/374234211.db2.gz FQMFHFAHKFUWDD-CQSZACIVSA-N 0 3 279.453 2.654 50 0 CFAAHN CC(C)Cc1ccc(CNC2(C(N)=O)CCCC2)cc1 ZINC000072308581 374244557 /nfs/dbraw/zinc/24/45/57/374244557.db2.gz LWWCNRQYAYIBLX-UHFFFAOYSA-N 0 3 274.408 2.773 50 0 CFAAHN CCS[C@@H]1CCCC[C@@H]1NCc1nccn1C ZINC000079020782 374584389 /nfs/dbraw/zinc/58/43/89/374584389.db2.gz LUCDZCLMWZIEDF-NWDGAFQWSA-N 0 3 253.415 2.574 50 0 CFAAHN Cc1ncc(CN[C@@H]2CCC[C@]2(C)CO)n1-c1ccccc1 ZINC000084048217 374761513 /nfs/dbraw/zinc/76/15/13/374761513.db2.gz MHDUTSXATREFOA-QZTJIDSGSA-N 0 3 299.418 2.821 50 0 CFAAHN CCn1c(C)cc(C(=O)N2CCCC[C@H](N(C)C)C2)c1C ZINC000082097401 374726556 /nfs/dbraw/zinc/72/65/56/374726556.db2.gz WTHPGXQKVWJHAP-HNNXBMFYSA-N 0 3 291.439 2.681 50 0 CFAAHN CC(C)(C)OCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000084240878 374770157 /nfs/dbraw/zinc/77/01/57/374770157.db2.gz MSADSTGUCNFGDV-CYBMUJFWSA-N 0 3 251.374 2.752 50 0 CFAAHN CC[C@@H](CCO)CNCc1cnc(C(C)(C)C)s1 ZINC000084733270 374789120 /nfs/dbraw/zinc/78/91/20/374789120.db2.gz NPFVFQWBXAZBBC-NSHDSACASA-N 0 3 270.442 2.939 50 0 CFAAHN CCc1noc(C)c1CNC1(CC(=O)OC)CCCCC1 ZINC000089280169 374895111 /nfs/dbraw/zinc/89/51/11/374895111.db2.gz OBZFUJHBJUVJBX-UHFFFAOYSA-N 0 3 294.395 2.901 50 0 CFAAHN Cc1noc(CCN[C@@H]2CCSc3ccccc32)n1 ZINC000089517681 374916317 /nfs/dbraw/zinc/91/63/17/374916317.db2.gz LLMMJVPURLYJFV-GFCCVEGCSA-N 0 3 275.377 2.747 50 0 CFAAHN Fc1cccc(F)c1N1CC[C@H](NCc2cccnc2)C1 ZINC000089768168 374948254 /nfs/dbraw/zinc/94/82/54/374948254.db2.gz FYLLWWIIMFTFLB-ZDUSSCGKSA-N 0 3 289.329 2.728 50 0 CFAAHN CC(C)CSCCCN(C)Cc1cnn(C)c1 ZINC000089856430 374961398 /nfs/dbraw/zinc/96/13/98/374961398.db2.gz PXGKIMALWCKFND-UHFFFAOYSA-N 0 3 255.431 2.631 50 0 CFAAHN O=C(N[C@H]1CCN(C2CC2)C1)c1cccc2ccccc21 ZINC000089873175 374963806 /nfs/dbraw/zinc/96/38/06/374963806.db2.gz YVIWKCGIDZXAPY-AWEZNQCLSA-N 0 3 280.371 2.806 50 0 CFAAHN CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(Cl)o1 ZINC000089948959 374975163 /nfs/dbraw/zinc/97/51/63/374975163.db2.gz PQCOJTULFLTGJK-DGCLKSJQSA-N 0 3 284.787 2.670 50 0 CFAAHN Cn1ccc(CN[C@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000253428660 189992029 /nfs/dbraw/zinc/99/20/29/189992029.db2.gz KJNRBWPVNPBNGQ-HIFRSBDPSA-N 0 3 273.355 2.985 50 0 CFAAHN COc1ccccc1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000093506957 375257945 /nfs/dbraw/zinc/25/79/45/375257945.db2.gz NGHYVUFFYNSIIJ-GDBMZVCRSA-N 0 3 261.365 2.696 50 0 CFAAHN CCOCOc1ccc(CN[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000095462193 375457010 /nfs/dbraw/zinc/45/70/10/375457010.db2.gz FVKXQNPVCGVIPF-BBRMVZONSA-N 0 3 279.380 2.717 50 0 CFAAHN CCc1cnc(N[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000095381032 375427555 /nfs/dbraw/zinc/42/75/55/375427555.db2.gz YYCQVQRGQSXNLZ-INIZCTEOSA-N 0 3 282.391 2.725 50 0 CFAAHN CCN(CC)CC(=O)N(CC)Cc1ccc2ccccc2n1 ZINC000095394911 375430526 /nfs/dbraw/zinc/43/05/26/375430526.db2.gz NBZOTAYLLIVYSL-UHFFFAOYSA-N 0 3 299.418 2.925 50 0 CFAAHN C[C@H](CC(=O)N(C)C)N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000095422192 375440812 /nfs/dbraw/zinc/44/08/12/375440812.db2.gz ZALDKVHDTPEJCU-BDJLRTHQSA-N 0 3 278.371 2.733 50 0 CFAAHN Cc1ccc([C@H](C)NCCOC[C@H]2CCCO2)cc1 ZINC000095422508 375442162 /nfs/dbraw/zinc/44/21/62/375442162.db2.gz NPPKQAQPXKIOEA-GOEBONIOSA-N 0 3 263.381 2.841 50 0 CFAAHN CN(C)Cc1ccnc(NCc2ccc(F)cc2)c1 ZINC000095428434 375443436 /nfs/dbraw/zinc/44/34/36/375443436.db2.gz YUKUSCAKCJCVFE-UHFFFAOYSA-N 0 3 259.328 2.894 50 0 CFAAHN Cc1cc(C)nc(NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000097142982 375530630 /nfs/dbraw/zinc/53/06/30/375530630.db2.gz PJCCZRKVSFOUIU-GXTWGEPZSA-N 0 3 290.411 2.502 50 0 CFAAHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1cccnc1 ZINC000097145887 375532013 /nfs/dbraw/zinc/53/20/13/375532013.db2.gz XGFJDONUHMCOAV-KBPBESRZSA-N 0 3 291.395 2.617 50 0 CFAAHN c1ccc([C@H]2OCC[C@H]2NCc2cccnc2)cc1 ZINC000096447542 375487286 /nfs/dbraw/zinc/48/72/86/375487286.db2.gz TUUMERWAXPHPQZ-HZPDHXFCSA-N 0 3 254.333 2.701 50 0 CFAAHN Cc1cc(NC(=O)CN[C@@H](C)[C@H](C)c2ccccc2)no1 ZINC000097048971 375503056 /nfs/dbraw/zinc/50/30/56/375503056.db2.gz GNDKAQYCCIUCNK-STQMWFEESA-N 0 3 287.363 2.703 50 0 CFAAHN CCOc1ccc(NC(=O)CN[C@@H]2CCCSC2)cc1 ZINC000097084505 375512012 /nfs/dbraw/zinc/51/20/12/375512012.db2.gz MOLSACMZDBVFAT-CYBMUJFWSA-N 0 3 294.420 2.509 50 0 CFAAHN Cc1ccc(CNC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000097106966 375520348 /nfs/dbraw/zinc/52/03/48/375520348.db2.gz OUCURQZROZNGEQ-ZDUSSCGKSA-N 0 3 294.395 2.935 50 0 CFAAHN C[C@@H]1CCCC[C@H]1CN1CCN(CC(F)F)CC1 ZINC000097108441 375521131 /nfs/dbraw/zinc/52/11/31/375521131.db2.gz FJHJGGTVKJMSDS-OLZOCXBDSA-N 0 3 260.372 2.695 50 0 CFAAHN Cc1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)o1 ZINC000097108591 375521805 /nfs/dbraw/zinc/52/18/05/375521805.db2.gz QEPJNJILKNTPEN-AWEZNQCLSA-N 0 3 279.380 2.606 50 0 CFAAHN CC(=O)N1CCN(Cc2cccc3[nH]ccc32)C(C)(C)C1 ZINC000097139150 375527025 /nfs/dbraw/zinc/52/70/25/375527025.db2.gz GRGGKVUQBPIQMR-UHFFFAOYSA-N 0 3 285.391 2.611 50 0 CFAAHN Cc1ncccc1CN1CCC[C@@H](Cc2nccn2C)C1 ZINC000097139209 375527827 /nfs/dbraw/zinc/52/78/27/375527827.db2.gz RMNMKCCQXVPCQK-HNNXBMFYSA-N 0 3 284.407 2.578 50 0 CFAAHN Oc1cccc(CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000097259327 375546738 /nfs/dbraw/zinc/54/67/38/375546738.db2.gz ASMUUJRLIBPHSM-AWEZNQCLSA-N 0 3 269.348 2.562 50 0 CFAAHN CCOc1ccccc1CN(C)[C@@H](C)Cc1cnccn1 ZINC000097307138 375548431 /nfs/dbraw/zinc/54/84/31/375548431.db2.gz QQLWVVLDNKQHTJ-AWEZNQCLSA-N 0 3 285.391 2.938 50 0 CFAAHN CCn1nccc1CNC[C@](C)(O)c1ccccc1Cl ZINC000097378281 375557379 /nfs/dbraw/zinc/55/73/79/375557379.db2.gz HTIHBARCQSNPHE-HNNXBMFYSA-N 0 3 293.798 2.554 50 0 CFAAHN Fc1cccc(CN2CCCO[C@@H](CN3CCCC3)C2)c1 ZINC000097436872 375559798 /nfs/dbraw/zinc/55/97/98/375559798.db2.gz ZPKOECRBEPFZMY-KRWDZBQOSA-N 0 3 292.398 2.512 50 0 CFAAHN C[C@H](Cc1cnccn1)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000097732879 375582097 /nfs/dbraw/zinc/58/20/97/375582097.db2.gz IXQJXQXDUZKXKE-GFCCVEGCSA-N 0 3 287.411 2.560 50 0 CFAAHN C[C@@H](CNC(=O)Nc1cccnc1)N(C)Cc1ccccc1 ZINC000111418846 375846682 /nfs/dbraw/zinc/84/66/82/375846682.db2.gz ODZVUSKBGDDZPP-AWEZNQCLSA-N 0 3 298.390 2.724 50 0 CFAAHN O=C(C1CCN(Cc2ccccc2)CC1)N1CC=CCC1 ZINC000679325323 542167244 /nfs/dbraw/zinc/16/72/44/542167244.db2.gz VGSTYZVTIFXABG-UHFFFAOYSA-N 0 3 284.403 2.687 50 0 CFAAHN C[C@@H](N)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 ZINC000161581394 378857940 /nfs/dbraw/zinc/85/79/40/378857940.db2.gz PDXYWKACQPXLBC-CHWSQXEVSA-N 0 3 260.381 2.724 50 0 CFAAHN CC[C@H](CCO)NCc1sccc1Br ZINC000164999165 379029945 /nfs/dbraw/zinc/02/99/45/379029945.db2.gz LVMSSQQZRBKBTH-MRVPVSSYSA-N 0 3 278.215 2.761 50 0 CFAAHN Cc1cccc(CN2CCN(CC[C@@H]3CCCO3)CC2)c1 ZINC000170605153 379126913 /nfs/dbraw/zinc/12/69/13/379126913.db2.gz QLIKJPUMLJICBM-SFHVURJKSA-N 0 3 288.435 2.682 50 0 CFAAHN Cc1nc(CCNCc2c[nH]nc2C(C)(C)C)cs1 ZINC000048707840 412916315 /nfs/dbraw/zinc/91/63/15/412916315.db2.gz CYQBENQTONXYRA-UHFFFAOYSA-N 0 3 278.425 2.804 50 0 CFAAHN Cc1cnc(C)n1C[C@H]1CCCN(Cc2ccncc2)C1 ZINC000409420906 380959422 /nfs/dbraw/zinc/95/94/22/380959422.db2.gz BNUFMXYTLRFCIH-KRWDZBQOSA-N 0 3 284.407 2.807 50 0 CFAAHN Cc1cnc(C)n1C[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000409420907 380959750 /nfs/dbraw/zinc/95/97/50/380959750.db2.gz BNUFMXYTLRFCIH-QGZVFWFLSA-N 0 3 284.407 2.807 50 0 CFAAHN Fc1cc(Cl)ccc1CNCCc1cnccn1 ZINC000355124601 381626878 /nfs/dbraw/zinc/62/68/78/381626878.db2.gz ONPAGMMAVAWTCY-UHFFFAOYSA-N 0 3 265.719 2.601 50 0 CFAAHN Cc1nnc(CN2CCCN(C3CCCCC3)CC2)s1 ZINC000299759661 382044454 /nfs/dbraw/zinc/04/44/54/382044454.db2.gz MLORREHITOIPCW-UHFFFAOYSA-N 0 3 294.468 2.687 50 0 CFAAHN CSCc1cccc(CN[C@@H]2CCO[C@@H]2C)c1 ZINC000188724841 382464443 /nfs/dbraw/zinc/46/44/43/382464443.db2.gz MYDRCNHZQIVZIS-BXUZGUMPSA-N 0 3 251.395 2.817 50 0 CFAAHN C[C@@H](O)C[C@@H](C)CNCc1ccc(Cl)cc1F ZINC000189355709 382597503 /nfs/dbraw/zinc/59/75/03/382597503.db2.gz VRVFCZNDJXJGLV-NXEZZACHSA-N 0 3 259.752 2.976 50 0 CFAAHN c1ccc(C[C@@H]2CC[C@H](NCc3cncnc3)C2)cc1 ZINC000189513956 382618375 /nfs/dbraw/zinc/61/83/75/382618375.db2.gz NBKRKJWEXWJOPV-RDJZCZTQSA-N 0 3 267.376 2.978 50 0 CFAAHN OCC[C@@H]1CCC[C@H]1NCc1ccc(Br)o1 ZINC000191619036 382701654 /nfs/dbraw/zinc/70/16/54/382701654.db2.gz JNKRBWQQWXERNM-GXSJLCMTSA-N 0 3 288.185 2.683 50 0 CFAAHN CSC1(CNCc2cnn(-c3ccccc3)c2)CC1 ZINC000193659695 382722207 /nfs/dbraw/zinc/72/22/07/382722207.db2.gz BHIIJCRDCFUJIG-UHFFFAOYSA-N 0 3 273.405 2.858 50 0 CFAAHN Cc1ccc(CNC[C@]2(O)CCSC2)cc1Cl ZINC000195445248 382767751 /nfs/dbraw/zinc/76/77/51/382767751.db2.gz YKEDZGNXISMFIY-CYBMUJFWSA-N 0 3 271.813 2.606 50 0 CFAAHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1nc(C)cs1 ZINC000195568776 382769809 /nfs/dbraw/zinc/76/98/09/382769809.db2.gz NOPBGMLVGPHIET-NEPJUHHUSA-N 0 3 282.409 2.663 50 0 CFAAHN CCCn1ncc(CN2CCC(c3ncc[nH]3)CC2)c1C ZINC000215491097 382779033 /nfs/dbraw/zinc/77/90/33/382779033.db2.gz XAEOCEITUNGQPG-UHFFFAOYSA-N 0 3 287.411 2.704 50 0 CFAAHN c1sc(CN2CCSCC2)cc1CN1CCCC1 ZINC000215607711 382779840 /nfs/dbraw/zinc/77/98/40/382779840.db2.gz ZVIPDVCTGYHHPA-UHFFFAOYSA-N 0 3 282.478 2.893 50 0 CFAAHN CCc1ccc(CN(C)C2CCSCC2)nc1 ZINC000215750898 382780306 /nfs/dbraw/zinc/78/03/06/382780306.db2.gz RVQZNGSEECJRPJ-UHFFFAOYSA-N 0 3 250.411 2.971 50 0 CFAAHN CN(C)Cc1ccccc1OCCCCn1ccnc1 ZINC000216123269 382781834 /nfs/dbraw/zinc/78/18/34/382781834.db2.gz WPMXHZJZHHNZDB-UHFFFAOYSA-N 0 3 273.380 2.804 50 0 CFAAHN C[C@@H](N[C@@H](C)c1ccco1)[C@@H](O)Cc1ccccc1 ZINC000222112390 382800670 /nfs/dbraw/zinc/80/06/70/382800670.db2.gz UGZQGNATNXPSAO-IPYPFGDCSA-N 0 3 259.349 2.922 50 0 CFAAHN CC(C)c1cc(CN2CCN[C@@H](c3ccccc3)C2)on1 ZINC000222705878 382803301 /nfs/dbraw/zinc/80/33/01/382803301.db2.gz VMKDLEGOKWNFQD-QGZVFWFLSA-N 0 3 285.391 2.945 50 0 CFAAHN CC(=O)N[C@@H]1CCCN(C[C@H](C)c2ccc(F)cc2)C1 ZINC000225404284 382815407 /nfs/dbraw/zinc/81/54/07/382815407.db2.gz FFWLPXVTHTUGHH-BLLLJJGKSA-N 0 3 278.371 2.530 50 0 CFAAHN Cc1nc(-c2cccnc2)sc1[C@@H](C)NCCCO ZINC000225478934 382816606 /nfs/dbraw/zinc/81/66/06/382816606.db2.gz UYDQDWPTBIRSSI-SNVBAGLBSA-N 0 3 277.393 2.547 50 0 CFAAHN Cc1c(F)cccc1-c1ccc(CN2CC[C@H](O)C2)o1 ZINC000225533949 382817821 /nfs/dbraw/zinc/81/78/21/382817821.db2.gz ICXQADLZAYYOHR-LBPRGKRZSA-N 0 3 275.323 2.961 50 0 CFAAHN Cc1nc(CCNCc2ccc3c(n2)CCC3)c(C)o1 ZINC000576444866 382823012 /nfs/dbraw/zinc/82/30/12/382823012.db2.gz HKQXXHWVECYNNV-UHFFFAOYSA-N 0 3 271.364 2.507 50 0 CFAAHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C)c1cccnc1 ZINC000229555691 382852295 /nfs/dbraw/zinc/85/22/95/382852295.db2.gz NRNAWPNJVANNJB-RRQGHBQHSA-N 0 3 287.407 2.618 50 0 CFAAHN Cc1ccccc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000229629789 382853189 /nfs/dbraw/zinc/85/31/89/382853189.db2.gz PFWVYWRZNIIWRJ-UKRRQHHQSA-N 0 3 274.408 2.845 50 0 CFAAHN CCS[C@@H]1CCC[C@@H]1NCC(=O)NCc1ccccc1 ZINC000233983976 382872288 /nfs/dbraw/zinc/87/22/88/382872288.db2.gz SLAACSBZTKIVHG-LSDHHAIUSA-N 0 3 292.448 2.567 50 0 CFAAHN CCS[C@H]1CCC[C@H]1NCC(=O)NCc1ccccc1 ZINC000233841140 382872434 /nfs/dbraw/zinc/87/24/34/382872434.db2.gz SLAACSBZTKIVHG-CABCVRRESA-N 0 3 292.448 2.567 50 0 CFAAHN Cc1nccc(C2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000244673783 382989502 /nfs/dbraw/zinc/98/95/02/382989502.db2.gz HVJPACSRBILJFQ-SFHVURJKSA-N 0 3 297.402 2.698 50 0 CFAAHN CN(Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCCCN1C ZINC000244764111 382991031 /nfs/dbraw/zinc/99/10/31/382991031.db2.gz PBLPUNFLCVDURF-QGZVFWFLSA-N 0 3 298.434 2.993 50 0 CFAAHN CCN(Cc1noc(C2CCC2)n1)C[C@H]1CCCN1CC ZINC000244831519 382992798 /nfs/dbraw/zinc/99/27/98/382992798.db2.gz UFESQIZANILEAD-CQSZACIVSA-N 0 3 292.427 2.643 50 0 CFAAHN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000247385967 383169146 /nfs/dbraw/zinc/16/91/46/383169146.db2.gz UYRGXYCQDHNZCI-QXSJWSMHSA-N 0 3 293.455 2.691 50 0 CFAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1F ZINC000248161021 383215964 /nfs/dbraw/zinc/21/59/64/383215964.db2.gz XMTXBSCSRYHILS-HUUCEWRRSA-N 0 3 294.345 2.664 50 0 CFAAHN CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(F)c1F ZINC000248160958 383216022 /nfs/dbraw/zinc/21/60/22/383216022.db2.gz XLXLCEMQXVMLKW-UONOGXRCSA-N 0 3 294.345 2.664 50 0 CFAAHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cncc(F)c1 ZINC000248729837 383285492 /nfs/dbraw/zinc/28/54/92/383285492.db2.gz OGOYOIRALYDIKH-CJYSPXJISA-N 0 3 276.355 2.829 50 0 CFAAHN c1cc([C@H]2CCCN(CCn3cnc4ccccc43)C2)n[nH]1 ZINC000252505373 383415144 /nfs/dbraw/zinc/41/51/44/383415144.db2.gz 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/nfs/dbraw/zinc/78/49/36/174784936.db2.gz QSLYOBDYIXGUOX-JTQLQIEISA-N 0 3 251.280 2.512 50 0 CFAAHN CCc1nn(-c2ccccc2)c(-n2cccc2)c1CN ZINC000045795964 175384126 /nfs/dbraw/zinc/38/41/26/175384126.db2.gz KBXBTDIIUZLXTQ-UHFFFAOYSA-N 0 3 266.348 2.684 50 0 CFAAHN CCCCCNCc1nn(C)nc1-c1ccccc1 ZINC000045944757 175387251 /nfs/dbraw/zinc/38/72/51/175387251.db2.gz YKVHUINJOYOBPC-UHFFFAOYSA-N 0 3 258.369 2.762 50 0 CFAAHN Nc1ncc(CNCCc2ccc(Cl)cc2Cl)cn1 ZINC000045944711 175387287 /nfs/dbraw/zinc/38/72/87/175387287.db2.gz MYYSYLDEMXZYCQ-UHFFFAOYSA-N 0 3 297.189 2.698 50 0 CFAAHN Clc1ccc(CNCCc2nnc3n2CCCCC3)o1 ZINC000067698127 175785372 /nfs/dbraw/zinc/78/53/72/175785372.db2.gz NSNKBRFEODTCJB-UHFFFAOYSA-N 0 3 294.786 2.583 50 0 CFAAHN OCCCN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000069771920 175852151 /nfs/dbraw/zinc/85/21/51/175852151.db2.gz JFHBTQVRPSVIPE-UHFFFAOYSA-N 0 3 255.308 2.527 50 0 CFAAHN CC(C)=CCN1CCCC[C@H]1Cn1nc(C)nc1C ZINC000069815265 175855555 /nfs/dbraw/zinc/85/55/55/175855555.db2.gz LRKMVSLEFAPMMG-HNNXBMFYSA-N 0 3 262.401 2.716 50 0 CFAAHN Oc1cccc(CNCCc2ccn(-c3ccccc3)n2)c1 ZINC000071792588 176263648 /nfs/dbraw/zinc/26/36/48/176263648.db2.gz IQXMFBWMQGIMIK-UHFFFAOYSA-N 0 3 293.370 2.910 50 0 CFAAHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)C1CCC1 ZINC000071851403 176276842 /nfs/dbraw/zinc/27/68/42/176276842.db2.gz LYCJUUQVCHTPLG-INIZCTEOSA-N 0 3 272.392 2.740 50 0 CFAAHN Cc1cnn(CC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000071876471 176285712 /nfs/dbraw/zinc/28/57/12/176285712.db2.gz DKYUDZXNHJHSRH-GOSISDBHSA-N 0 3 299.418 2.637 50 0 CFAAHN CCNC(=O)CN1CCCC[C@@H]1CCc1ccccc1 ZINC000072125316 176320718 /nfs/dbraw/zinc/32/07/18/176320718.db2.gz UWLKVLIUPAHXCB-MRXNPFEDSA-N 0 3 274.408 2.610 50 0 CFAAHN c1ccc([C@H]2CCCN2Cc2cccc3nonc32)nc1 ZINC000072146609 176325015 /nfs/dbraw/zinc/32/50/15/176325015.db2.gz FLKCLJOKBYWQNW-OAHLLOKOSA-N 0 3 280.331 2.955 50 0 CFAAHN Fc1cc(CCNCc2ccco2)c2c(c1)COCO2 ZINC000078552779 177353255 /nfs/dbraw/zinc/35/32/55/177353255.db2.gz UYINJCMJXOSODW-UHFFFAOYSA-N 0 3 277.295 2.618 50 0 CFAAHN CC[C@@H](CO)NCc1cc(Cl)ccc1OC(C)C ZINC000040730315 260179084 /nfs/dbraw/zinc/17/90/84/260179084.db2.gz DHNDJOLYCNCFTQ-ZDUSSCGKSA-N 0 3 271.788 2.988 50 0 CFAAHN O=C(CN1CCCCCC1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000827832270 782047695 /nfs/dbraw/zinc/04/76/95/782047695.db2.gz LNXOKIDTYCIGPE-JKSUJKDBSA-N 0 3 272.392 2.535 50 0 CFAAHN Nc1c2c(nc3ccn(Cc4ccccc4)c(=O)c13)CCC2 ZINC000000545331 274964254 /nfs/dbraw/zinc/96/42/54/274964254.db2.gz UUUYAYQNQJMOBK-UHFFFAOYSA-N 0 3 291.354 2.516 50 0 CFAAHN CC(C)(C)c1n[nH]cc1CNC[C@@H]1CCCn2ccnc21 ZINC000084241057 275539504 /nfs/dbraw/zinc/53/95/04/275539504.db2.gz VMICHKFPRGJVKJ-LBPRGKRZSA-N 0 3 287.411 2.571 50 0 CFAAHN CCN(CCN1CCCCCC1)C(=O)[C@H]1CC1(C)C ZINC000346324697 279187794 /nfs/dbraw/zinc/18/77/94/279187794.db2.gz AQGAEUPVWKBRQY-CQSZACIVSA-N 0 3 266.429 2.757 50 0 CFAAHN NC[C@@H](c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000019261725 279634158 /nfs/dbraw/zinc/63/41/58/279634158.db2.gz PPLXHGHETKESBB-LBPRGKRZSA-N 0 3 258.287 2.801 50 0 CFAAHN Cc1ccccc1C1CCN(CCN2CCOC2=O)CC1 ZINC000069744601 281338518 /nfs/dbraw/zinc/33/85/18/281338518.db2.gz PIWLMYGZNRYCMF-UHFFFAOYSA-N 0 3 288.391 2.627 50 0 CFAAHN CC[N@H+](C)C1(CNC(=O)c2ccc([O-])cc2C)CCCC1 ZINC000534636966 328334023 /nfs/dbraw/zinc/33/40/23/328334023.db2.gz VNDYOYQAKYKRSR-UHFFFAOYSA-N 0 3 290.407 2.695 50 0 CFAAHN CC[N@@H+](C)C1(CNC(=O)c2ccc([O-])cc2C)CCCC1 ZINC000534636966 328334025 /nfs/dbraw/zinc/33/40/25/328334025.db2.gz VNDYOYQAKYKRSR-UHFFFAOYSA-N 0 3 290.407 2.695 50 0 CFAAHN O=C(Nc1ccccc1F)C1CCN(C2CC2)CC1 ZINC000195224702 324103321 /nfs/dbraw/zinc/10/33/21/324103321.db2.gz BCESKKRVEXXVKR-UHFFFAOYSA-N 0 3 262.328 2.639 50 0 CFAAHN C[C@@H]1CCC[C@@H](C(=O)NCCCNCc2cccnc2)C1 ZINC000195542772 324108294 /nfs/dbraw/zinc/10/82/94/324108294.db2.gz SHXLOQGNHKKRKD-GDBMZVCRSA-N 0 3 289.423 2.504 50 0 CFAAHN COC(=O)N1CCC[C@@H](N[C@H](C)c2cccs2)C1 ZINC000096476944 533965193 /nfs/dbraw/zinc/96/51/93/533965193.db2.gz MLAUCBIEPJLWHD-GHMZBOCLSA-N 0 3 268.382 2.630 50 0 CFAAHN OCCCNC1(c2ccc(F)cc2F)CCCC1 ZINC000096492230 534362346 /nfs/dbraw/zinc/36/23/46/534362346.db2.gz UERYZZDBWUYKOZ-UHFFFAOYSA-N 0 3 255.308 2.706 50 0 CFAAHN CCCC[C@@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000059931601 521068519 /nfs/dbraw/zinc/06/85/19/521068519.db2.gz FULRPIPCGBVUBY-GFCCVEGCSA-N 0 3 288.313 2.839 50 0 CFAAHN CCOC1CC2(C1)CCN(Cc1cncs1)C2 ZINC000367699715 521654144 /nfs/dbraw/zinc/65/41/44/521654144.db2.gz IUDVDEFIVSYEJB-UHFFFAOYSA-N 0 3 252.383 2.534 50 0 CFAAHN COc1cccc(CN[C@H](C)[C@H](O)c2ccccc2)c1 ZINC000019871901 526036957 /nfs/dbraw/zinc/03/69/57/526036957.db2.gz MHEHZSWZFJUYMH-DYVFJYSZSA-N 0 3 271.360 2.907 50 0 CFAAHN Fc1ccc(CNCc2c[nH]nc2-c2cccnc2)cc1 ZINC000035255516 526338576 /nfs/dbraw/zinc/33/85/76/526338576.db2.gz JXLDTPBRGHCESX-UHFFFAOYSA-N 0 3 282.322 2.901 50 0 CFAAHN CCN(C)C[C@@](C)(O)c1ccccc1C(F)(F)F ZINC000096441398 527824151 /nfs/dbraw/zinc/82/41/51/527824151.db2.gz JTQXFMJXLNTDMN-GFCCVEGCSA-N 0 3 261.287 2.865 50 0 CFAAHN CC(C)n1cncc1CN(C)[C@@H]1CCOC(C)(C)C1 ZINC000097743481 528619362 /nfs/dbraw/zinc/61/93/62/528619362.db2.gz AZCZNLFGLIURJT-CYBMUJFWSA-N 0 3 265.401 2.853 50 0 CFAAHN CCS[C@@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC000096451433 529215716 /nfs/dbraw/zinc/21/57/16/529215716.db2.gz RZVCHSSRZLYOAZ-QWHCGFSZSA-N 0 3 272.458 2.507 50 0 CFAAHN C[C@H](NC[C@H](O)c1ccncc1)c1cc(F)cc(F)c1 ZINC000090712813 566953792 /nfs/dbraw/zinc/95/37/92/566953792.db2.gz CULNHIRAKGELHW-BONVTDFDSA-N 0 3 278.302 2.744 50 0 CFAAHN CCn1nnc(C)c1CN1CCC[C@@H](c2ccncc2)CC1 ZINC000952992734 615743133 /nfs/dbraw/zinc/74/31/33/615743133.db2.gz CABZJIHUNCCMPS-OAHLLOKOSA-N 0 3 299.422 2.771 50 0 CFAAHN c1coc(-c2ccccc2CN2CCc3nncn3CC2)c1 ZINC000020540008 618806310 /nfs/dbraw/zinc/80/63/10/618806310.db2.gz NHSJXQAERCFILU-UHFFFAOYSA-N 0 3 294.358 2.596 50 0 CFAAHN CCC[C@H](C(=O)N1Cc2ccccc2C2(CC2)C1)N(C)C ZINC000184660014 618917669 /nfs/dbraw/zinc/91/76/69/618917669.db2.gz VDPCPCASZBZTGI-MRXNPFEDSA-N 0 3 286.419 2.791 50 0 CFAAHN COC(=O)c1ccc(CN(C)C[C@H](O)c2ccccc2)cc1 ZINC000027207780 645720756 /nfs/dbraw/zinc/72/07/56/645720756.db2.gz PGWROFPUKKZPKE-KRWDZBQOSA-N 0 3 299.370 2.639 50 0 CFAAHN Cc1cc(CN2CCCOCC2)c2ccc(F)cc2n1 ZINC000019145991 651287998 /nfs/dbraw/zinc/28/79/98/651287998.db2.gz FVOUCEGPXPWTQJ-UHFFFAOYSA-N 0 3 274.339 2.905 50 0 CFAAHN CC(C)=CCC[C@H](C)[NH2+]CCc1nc(C)cc(=O)[n-]1 ZINC000821090691 781877365 /nfs/dbraw/zinc/87/73/65/781877365.db2.gz AQNDGYJNWWUYAR-LBPRGKRZSA-N 0 3 263.385 2.758 50 0 CFAAHN CC[C@H](C(=O)NC(C)(C)c1ccc(OC)cc1)N(C)CC ZINC000822549786 781903786 /nfs/dbraw/zinc/90/37/86/781903786.db2.gz IATZBYLRBFGJTH-OAHLLOKOSA-N 0 3 292.423 2.777 50 0 CFAAHN CC(C)n1ccc2c1cccc2C(=O)NCCN(C)C ZINC000095480624 184997423 /nfs/dbraw/zinc/99/74/23/184997423.db2.gz SLSMFDHBVPLOOF-UHFFFAOYSA-N 0 3 273.380 2.514 50 0 CFAAHN Cc1nccn1-c1ccc([C@H](C)NCc2cnn(C)c2)cc1 ZINC000096461413 230378055 /nfs/dbraw/zinc/37/80/55/230378055.db2.gz NBGSENPRNXTQJD-ZDUSSCGKSA-N 0 3 295.390 2.765 50 0 CFAAHN Cc1cc(NC(=O)CN[C@]2(C)CCCc3ccccc32)on1 ZINC000095953329 185040529 /nfs/dbraw/zinc/04/05/29/185040529.db2.gz BTYXZBAFGKBSDY-QGZVFWFLSA-N 0 3 299.374 2.763 50 0 CFAAHN CCc1ccc([C@@H](C)NCCOc2cccnc2)o1 ZINC000095968031 185046535 /nfs/dbraw/zinc/04/65/35/185046535.db2.gz RSRWHNBXFYSZLK-GFCCVEGCSA-N 0 3 260.337 2.967 50 0 CFAAHN CC[C@H](NC[C@@](C)(O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000095968403 185047050 /nfs/dbraw/zinc/04/70/50/185047050.db2.gz OUGSISYMGVTNKZ-JKSUJKDBSA-N 0 3 291.370 2.508 50 0 CFAAHN Cc1cccc(C(C)(C)NC[C@H](C)CS(C)(=O)=O)c1 ZINC000095985279 185054886 /nfs/dbraw/zinc/05/48/86/185054886.db2.gz XUYSZMIVPBKIDC-ZDUSSCGKSA-N 0 3 283.437 2.500 50 0 CFAAHN C[C@H](NCc1csc([C@H]2CCCO2)n1)C1CCOCC1 ZINC000095985376 185055473 /nfs/dbraw/zinc/05/54/73/185055473.db2.gz UHGLYDKBYHOGNG-SMDDNHRTSA-N 0 3 296.436 2.899 50 0 CFAAHN Cn1cccc1CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000097035069 185157823 /nfs/dbraw/zinc/15/78/23/185157823.db2.gz DVNASVBIHIUCCY-HOTGVXAUSA-N 0 3 292.329 2.923 50 0 CFAAHN CCCN1CCCN(C(=O)c2c(F)cccc2F)CC1 ZINC000071850310 539463079 /nfs/dbraw/zinc/46/30/79/539463079.db2.gz OPVMUFQKFHTRLF-UHFFFAOYSA-N 0 3 282.334 2.523 50 0 CFAAHN CCOCCN1CCC(OC(=O)c2ccccc2C)CC1 ZINC000003153390 346207628 /nfs/dbraw/zinc/20/76/28/346207628.db2.gz CUKQVXYWLGOMAF-UHFFFAOYSA-N 0 3 291.391 2.653 50 0 CFAAHN COc1cccc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)c1 ZINC000008553097 346224604 /nfs/dbraw/zinc/22/46/04/346224604.db2.gz LKOGBRXABVWQOD-OWCLPIDISA-N 0 3 261.365 2.651 50 0 CFAAHN C[C@]1(O)CN(Cc2ccccc2)[C@@H](c2ccccc2)C[C@@H]1O ZINC000019879460 346243077 /nfs/dbraw/zinc/24/30/77/346243077.db2.gz VAKBKORICCUVPK-QYZOEREBSA-N 0 3 297.398 2.746 50 0 CFAAHN COc1cccc([C@@H]2NCC[C@]3(O)CCCC[C@@H]23)c1 ZINC000022018077 346247378 /nfs/dbraw/zinc/24/73/78/346247378.db2.gz LKOGBRXABVWQOD-HRCADAONSA-N 0 3 261.365 2.651 50 0 CFAAHN c1csc(N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 ZINC000039348994 346343676 /nfs/dbraw/zinc/34/36/76/346343676.db2.gz HKCIJFJXKPDDOG-GASCZTMLSA-N 0 3 285.416 2.711 50 0 CFAAHN CC[C@@H]1CCCCN1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000061745521 346681670 /nfs/dbraw/zinc/68/16/70/346681670.db2.gz RGQRAWRYHIBTIL-RBSFLKMASA-N 0 3 266.429 2.755 50 0 CFAAHN Cn1cc(CN2CCC(Cc3ccccc3)CC2)ccc1=O ZINC000065285842 346733244 /nfs/dbraw/zinc/73/32/44/346733244.db2.gz ZFAZUPQAQKRJRV-UHFFFAOYSA-N 0 3 296.414 2.840 50 0 CFAAHN c1ccc2c(c1)CN(CCc1ccncc1)CCO2 ZINC000076849124 347156984 /nfs/dbraw/zinc/15/69/84/347156984.db2.gz XRSJIALGCZFUBO-UHFFFAOYSA-N 0 3 254.333 2.519 50 0 CFAAHN CCS[C@@H]1CCCC[C@H]1NCc1cnn(C)c1 ZINC000079020804 347285343 /nfs/dbraw/zinc/28/53/43/347285343.db2.gz FRYFPIYYAUVTTP-CHWSQXEVSA-N 0 3 253.415 2.574 50 0 CFAAHN CC(C)(C)c1cn2c(n1)[C@@H](CNCc1ncc[nH]1)CCC2 ZINC000089725139 347526945 /nfs/dbraw/zinc/52/69/45/347526945.db2.gz ANLICJJEOHRKSM-GFCCVEGCSA-N 0 3 287.411 2.571 50 0 CFAAHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(Cl)c3)[C@@H]2C1 ZINC000095466080 347698101 /nfs/dbraw/zinc/69/81/01/347698101.db2.gz VNHJRPIXLNHDGH-BXUZGUMPSA-N 0 3 293.798 2.898 50 0 CFAAHN CCOC(=O)[C@@]1(N2CCCCC2)CCCC[C@@H]1C ZINC000096026489 347700656 /nfs/dbraw/zinc/70/06/56/347700656.db2.gz NWZRDHYUYXTYJP-DZGCQCFKSA-N 0 3 253.386 2.984 50 0 CFAAHN CCO[C@H]1C[C@H](NCc2ccc(F)c(CO)c2)C1(C)C ZINC000097231007 347707773 /nfs/dbraw/zinc/70/77/73/347707773.db2.gz AHNPMQOLVBUVLY-GJZGRUSLSA-N 0 3 281.371 2.611 50 0 CFAAHN OC[C@H](N[C@@H]1CCCSC1)c1cc(F)c(F)c(F)c1 ZINC000097370882 347708721 /nfs/dbraw/zinc/70/87/21/347708721.db2.gz NUDRFJSQIBPVKI-SKDRFNHKSA-N 0 3 291.338 2.623 50 0 CFAAHN C[C@@H](CNC(=O)[C@@H](C1CC1)N1CCCC1)c1cccs1 ZINC000127258351 347840261 /nfs/dbraw/zinc/84/02/61/347840261.db2.gz BREWKXKEGKLCQM-SWLSCSKDSA-N 0 3 292.448 2.842 50 0 CFAAHN c1cc2c(o1)CCC[C@H]2NCCOc1cccnc1 ZINC000170088896 348053354 /nfs/dbraw/zinc/05/33/54/348053354.db2.gz DYPPTAZHRIENKY-CQSZACIVSA-N 0 3 258.321 2.721 50 0 CFAAHN COC[C@H](NCCC1(C)OCCO1)c1ccc(Cl)cc1 ZINC000194176248 348143428 /nfs/dbraw/zinc/14/34/28/348143428.db2.gz VXNNTWZMQWOYOQ-AWEZNQCLSA-N 0 3 299.798 2.770 50 0 CFAAHN OC[C@H]1C=C[C@@H](N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000195558603 348146107 /nfs/dbraw/zinc/14/61/07/348146107.db2.gz WRYDNVSOGLOMRL-SGIREYDYSA-N 0 3 261.340 2.730 50 0 CFAAHN Cc1cnn(C[C@H]2CCCCN2C[C@@H](O)c2ccccc2)c1 ZINC000229487472 348202035 /nfs/dbraw/zinc/20/20/35/348202035.db2.gz GSGHZOICZLKUNR-QZTJIDSGSA-N 0 3 299.418 2.780 50 0 CFAAHN CNCC(=O)Nc1cccc(CSC(C)(C)C)c1 ZINC000252480100 348296285 /nfs/dbraw/zinc/29/62/85/348296285.db2.gz BVJDPVZVHZYSJF-UHFFFAOYSA-N 0 3 266.410 2.876 50 0 CFAAHN CCc1nccn1C[C@@H](C)NCc1cn2c(cccc2C)n1 ZINC000584886852 348727113 /nfs/dbraw/zinc/72/71/13/348727113.db2.gz AYLQVRGRSJCGFN-CYBMUJFWSA-N 0 3 297.406 2.580 50 0 CFAAHN COc1ccc2[nH]c(CN[C@H]3CCCSC3)nc2c1 ZINC000584892040 348728977 /nfs/dbraw/zinc/72/89/77/348728977.db2.gz WUKLBEZRBBXRQY-JTQLQIEISA-N 0 3 277.393 2.557 50 0 CFAAHN Cn1c2ccccc2nc1C1CCN([C@@H]2CCCOC2)CC1 ZINC000584898826 348732183 /nfs/dbraw/zinc/73/21/83/348732183.db2.gz DOQUHBLSBRGOHX-OAHLLOKOSA-N 0 3 299.418 2.932 50 0 CFAAHN CCc1nccn1C[C@@H](C)NCc1cnc(C)c(C)c1 ZINC000584903627 348733773 /nfs/dbraw/zinc/73/37/73/348733773.db2.gz CXFKNJMXXFHARD-CYBMUJFWSA-N 0 3 272.396 2.636 50 0 CFAAHN Cc1ccccc1C[C@@H](C)N[C@@H]1CCN(C(C)C)C1=O ZINC000089729433 179856030 /nfs/dbraw/zinc/85/60/30/179856030.db2.gz URYGJABSRQZHQT-GDBMZVCRSA-N 0 3 274.408 2.525 50 0 CFAAHN CC(C)N1CC[C@@H](N[C@H](C)CSC(C)(C)C)C1=O ZINC000089728479 179855713 /nfs/dbraw/zinc/85/57/13/179855713.db2.gz OEEBVTCXUFMGFR-VXGBXAGGSA-N 0 3 272.458 2.506 50 0 CFAAHN C[C@H](N[C@@H](C)[C@H](O)Cc1ccccc1)c1ccco1 ZINC000090655912 180018482 /nfs/dbraw/zinc/01/84/82/180018482.db2.gz UGZQGNATNXPSAO-KCQAQPDRSA-N 0 3 259.349 2.922 50 0 CFAAHN Cc1nc(CN2CCC[C@@](C)(c3ccccc3)C2)n[nH]1 ZINC000091494254 180171167 /nfs/dbraw/zinc/17/11/67/180171167.db2.gz FDJHSRDTGIEXHF-MRXNPFEDSA-N 0 3 270.380 2.667 50 0 CFAAHN Fc1cnccc1N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 ZINC000091585564 180199684 /nfs/dbraw/zinc/19/96/84/180199684.db2.gz PVUMVUAFIGTUQF-ZIAGYGMSSA-N 0 3 275.371 2.531 50 0 CFAAHN CN(C)Cc1ccc(-c2ncnn2-c2ccc(F)cc2)o1 ZINC000091663558 180220748 /nfs/dbraw/zinc/22/07/48/180220748.db2.gz VQIKSWLWFAMVHS-UHFFFAOYSA-N 0 3 286.310 2.728 50 0 CFAAHN Cc1cc(NC2(c3ccccc3C)CC2)nc(N)n1 ZINC000091894843 180282568 /nfs/dbraw/zinc/28/25/68/180282568.db2.gz IYHWQZCSBIRRFS-UHFFFAOYSA-N 0 3 254.337 2.777 50 0 CFAAHN CN1CCC(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)CC1 ZINC000335487495 282684172 /nfs/dbraw/zinc/68/41/72/282684172.db2.gz MCUUZHBFHYPNET-NSHDSACASA-N 0 3 292.345 2.519 50 0 CFAAHN COc1ccc(/C=C/CN2CC[C@](C)(O)[C@H](C)C2)cc1 ZINC000092106902 180326353 /nfs/dbraw/zinc/32/63/53/180326353.db2.gz YNBZCLZSPMTPRF-ROHVMALMSA-N 0 3 275.392 2.801 50 0 CFAAHN NC(=O)[C@@H](c1ccccc1)N1CC[C@H](c2ccccc2)C1 ZINC000106164680 186104011 /nfs/dbraw/zinc/10/40/11/186104011.db2.gz JWRYWZCCLVWTRM-DLBZAZTESA-N 0 3 280.371 2.703 50 0 CFAAHN CN(Cc1ccc(Cl)s1)C(=O)[C@H](N)C(C)(C)C ZINC000123352322 187086646 /nfs/dbraw/zinc/08/66/46/187086646.db2.gz NOTKFNYVUAIXQU-JTQLQIEISA-N 0 3 274.817 2.733 50 0 CFAAHN O=c1cc(CN2CC[C@H]3CCCC[C@H]3C2)nc2ccccn12 ZINC000685939496 540020604 /nfs/dbraw/zinc/02/06/04/540020604.db2.gz OZEMTDMKEMZKEZ-CABCVRRESA-N 0 3 297.402 2.707 50 0 CFAAHN CCn1cc([C@H]2OCC[C@@H]2CNCc2occc2C)cn1 ZINC000083843470 540185403 /nfs/dbraw/zinc/18/54/03/540185403.db2.gz YXNWYOKUVBAHIS-CJNGLKHVSA-N 0 3 289.379 2.672 50 0 CFAAHN CN1CCC[C@H]1CCSc1nnc(C2CC2)s1 ZINC000083877925 540187708 /nfs/dbraw/zinc/18/77/08/540187708.db2.gz HLPQTKKNRSIZDY-JTQLQIEISA-N 0 3 269.439 2.992 50 0 CFAAHN NCc1c(F)cc(Br)cc1Br ZINC000263625267 283525371 /nfs/dbraw/zinc/52/53/71/283525371.db2.gz YEZSMJPBOFEURS-UHFFFAOYSA-N 0 3 282.938 2.809 50 0 CFAAHN CCc1nc2n(n1)CCC[C@H]2NC1CCCCCC1 ZINC000095423689 540724293 /nfs/dbraw/zinc/72/42/93/540724293.db2.gz XOMALODVLSQBKW-CYBMUJFWSA-N 0 3 262.401 2.988 50 0 CFAAHN CN(Cc1ccc(Cl)cc1)CC1(CO)CCC1 ZINC000259141810 540942095 /nfs/dbraw/zinc/94/20/95/540942095.db2.gz ZRNZIHODHVVKQS-UHFFFAOYSA-N 0 3 253.773 2.934 50 0 CFAAHN Cn1nccc1CN1CCC2(CCc3ccccc32)CC1 ZINC000670437102 540994022 /nfs/dbraw/zinc/99/40/22/540994022.db2.gz JLFYSQVXQMRKAP-UHFFFAOYSA-N 0 3 281.403 2.900 50 0 CFAAHN O[C@]1(c2ccccc2)CCN(CCOCc2ccccc2)C1 ZINC000670467781 541007406 /nfs/dbraw/zinc/00/74/06/541007406.db2.gz XHJYATIVWVFIMI-LJQANCHMSA-N 0 3 297.398 2.797 50 0 CFAAHN COc1cccc(F)c1CN1C[C@H]2CCC[C@@H](C1)N(C)C2 ZINC000670468910 541007803 /nfs/dbraw/zinc/00/78/03/541007803.db2.gz MDXQEDNCECYWHF-KBPBESRZSA-N 0 3 292.398 2.750 50 0 CFAAHN CN(C/C=C/c1ccc(F)cc1)CC1(CO)CCC1 ZINC000670472073 541010495 /nfs/dbraw/zinc/01/04/95/541010495.db2.gz VFJWRQHEBNQKOQ-DUXPYHPUSA-N 0 3 263.356 2.933 50 0 CFAAHN CCCO[C@@H]1CCCN(Cc2cccc3nonc32)C1 ZINC000216510141 189705107 /nfs/dbraw/zinc/70/51/07/189705107.db2.gz FPVLMXVJTXYFEX-CYBMUJFWSA-N 0 3 275.352 2.614 50 0 CFAAHN C[C@@H](N[C@@H]1CCCC1(C)C)C(=O)Nc1nccs1 ZINC000191293430 296155128 /nfs/dbraw/zinc/15/51/28/296155128.db2.gz VVAPRPSRSMZULM-NXEZZACHSA-N 0 3 267.398 2.638 50 0 CFAAHN CCN(CC)CCN=C1CCCc2ccccc2N1 ZINC000000196628 371556185 /nfs/dbraw/zinc/55/61/85/371556185.db2.gz HANBURBEPABLAP-UHFFFAOYSA-N 0 3 259.397 2.984 50 0 CFAAHN C[n+]1ccccc1C=C([O-])c1ccc(Br)cc1 ZINC000000026307 371509415 /nfs/dbraw/zinc/50/94/15/371509415.db2.gz ABKAHMCVCKGZSX-UHFFFAOYSA-N 0 3 291.168 2.699 50 0 in-vitro CFAAHN Cc1ccc(OC[C@@H](O)CN2CCCCC2)cc1C ZINC000000064557 371522229 /nfs/dbraw/zinc/52/22/29/371522229.db2.gz NOWUDYBBYBIBDD-HNNXBMFYSA-N 0 3 263.381 2.529 50 0 CFAAHN CC[C@H](C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000000192650 371554276 /nfs/dbraw/zinc/55/42/76/371554276.db2.gz KUILOHHBEIBAET-JKSUJKDBSA-N 0 3 273.376 2.818 50 0 CFAAHN COC[C@H](C)NCc1cccc(Br)c1 ZINC000000275532 371574897 /nfs/dbraw/zinc/57/48/97/371574897.db2.gz LOIYEWCWRYTAQB-VIFPVBQESA-N 0 3 258.159 2.574 50 0 CFAAHN COc1ccc(CN[C@H]2CCCC[C@@H]2OC)cc1OC ZINC000000293334 371579867 /nfs/dbraw/zinc/57/98/67/371579867.db2.gz FKLFVYLEEONXDY-KBPBESRZSA-N 0 3 279.380 2.751 50 0 CFAAHN COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)cc1OC ZINC000000301375 371581783 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FYWWOWBQGGLIGK-AWEZNQCLSA-N 0 3 292.423 2.620 50 0 CFAAHN C[C@H](NC1CCC(O)CC1)c1nc2ccccc2n1C ZINC000019918942 372210394 /nfs/dbraw/zinc/21/03/94/372210394.db2.gz IOEHDRUCZOKRAJ-HIFPTAJRSA-N 0 3 273.380 2.527 50 0 CFAAHN CCc1ccc(CN2CCC(N3CCOCC3)CC2)cc1 ZINC000019938838 372211992 /nfs/dbraw/zinc/21/19/92/372211992.db2.gz WDBXJGKOZGBOOD-UHFFFAOYSA-N 0 3 288.435 2.546 50 0 CFAAHN COC(=O)C1CCN(Cc2cccc3cccnc32)CC1 ZINC000025378914 372299138 /nfs/dbraw/zinc/29/91/38/372299138.db2.gz YXRDLTRADBNXEK-UHFFFAOYSA-N 0 3 284.359 2.620 50 0 CFAAHN C[C@@H](CCc1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000023283323 372258353 /nfs/dbraw/zinc/25/83/53/372258353.db2.gz GSIZPQOFMQUUMN-INIZCTEOSA-N 0 3 296.418 2.620 50 0 CFAAHN CN(C)[C@@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1 ZINC000025420244 372301079 /nfs/dbraw/zinc/30/10/79/372301079.db2.gz HNWMEYRANUDLRA-HOTGVXAUSA-N 0 3 272.392 2.762 50 0 CFAAHN Cc1ccc(C(=O)Nc2ccccc2CN(C)C)o1 ZINC000024808376 372281209 /nfs/dbraw/zinc/28/12/09/372281209.db2.gz XCPXLJTZRASESP-UHFFFAOYSA-N 0 3 258.321 2.902 50 0 CFAAHN CCN(CC(=O)Nc1cc(C)no1)C1CCCCC1 ZINC000027286508 372337215 /nfs/dbraw/zinc/33/72/15/372337215.db2.gz XULSITPXTQIYNY-UHFFFAOYSA-N 0 3 265.357 2.576 50 0 CFAAHN Cc1cccc(NC(=O)NCCN2CCCCCC2)c1 ZINC000027348468 372338675 /nfs/dbraw/zinc/33/86/75/372338675.db2.gz HCAKUDSDGPNSAD-UHFFFAOYSA-N 0 3 275.396 2.993 50 0 CFAAHN CC(C)[C@@H](NCC(=O)NCc1ccco1)c1ccccc1 ZINC000029197028 372376579 /nfs/dbraw/zinc/37/65/79/372376579.db2.gz VPAYBIPVTAYCGS-QGZVFWFLSA-N 0 3 286.375 2.883 50 0 CFAAHN COCCN(C)Cc1ccc(Br)cc1 ZINC000032917446 372476433 /nfs/dbraw/zinc/47/64/33/372476433.db2.gz GRZPMTOWGXQEPE-UHFFFAOYSA-N 0 3 258.159 2.527 50 0 CFAAHN Cc1ccc(C(N)=O)c(-c2ccc([C@H](C)N(C)C)cc2)n1 ZINC000032558260 372444984 /nfs/dbraw/zinc/44/49/84/372444984.db2.gz WETCGCCMAMMMKB-LBPRGKRZSA-N 0 3 283.375 2.779 50 0 CFAAHN CN(C)[C@@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000032747847 372458864 /nfs/dbraw/zinc/45/88/64/372458864.db2.gz WHGOEQJRXVXRDO-HOCLYGCPSA-N 0 3 272.392 2.762 50 0 CFAAHN COc1cc2ccccc2cc1C(=O)NC[C@H](C)N(C)C ZINC000032817396 372463816 /nfs/dbraw/zinc/46/38/16/372463816.db2.gz USZKGVDQDQPGBH-LBPRGKRZSA-N 0 3 286.375 2.528 50 0 CFAAHN C[C@@H](N[C@H](C)c1cccs1)C(=O)NC1CCCC1 ZINC000035132854 372546376 /nfs/dbraw/zinc/54/63/76/372546376.db2.gz NJALAZMPNRCEFH-GHMZBOCLSA-N 0 3 266.410 2.846 50 0 CFAAHN CCC[C@H](N)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000037002192 372625834 /nfs/dbraw/zinc/62/58/34/372625834.db2.gz COSDZQKJZSTTGD-CABZTGNLSA-N 0 3 254.399 2.670 50 0 CFAAHN CCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000037020912 372635806 /nfs/dbraw/zinc/63/58/06/372635806.db2.gz VXYGDOHMIGHOGC-JGVFFNPUSA-N 0 3 260.790 2.706 50 0 CFAAHN Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cn1 ZINC000037143154 372655018 /nfs/dbraw/zinc/65/50/18/372655018.db2.gz WHUWTQBGSWPFNC-UHFFFAOYSA-N 0 3 297.402 2.642 50 0 CFAAHN COc1ccccc1CNC[C@H](O)c1ccc(F)cc1 ZINC000037856524 372726465 /nfs/dbraw/zinc/72/64/65/372726465.db2.gz UFYJFUWXZYZBEP-HNNXBMFYSA-N 0 3 275.323 2.658 50 0 CFAAHN COc1ccc(CNC[C@H](O)c2ccc(F)cc2)cc1 ZINC000037856507 372726953 /nfs/dbraw/zinc/72/69/53/372726953.db2.gz KIFANNPGXQUCEP-INIZCTEOSA-N 0 3 275.323 2.658 50 0 CFAAHN COCCNCc1ccc(OC(C)C)c(Cl)c1 ZINC000040731134 372784689 /nfs/dbraw/zinc/78/46/89/372784689.db2.gz FYSFJGJSZLPOEK-UHFFFAOYSA-N 0 3 257.761 2.863 50 0 CFAAHN CC(C)Oc1ccc(CNC(C)(C)CO)cc1Cl ZINC000040731031 372784985 /nfs/dbraw/zinc/78/49/85/372784985.db2.gz CJFLFDYECFAODG-UHFFFAOYSA-N 0 3 271.788 2.988 50 0 CFAAHN CCCOc1ccc(NC(=O)C(C)(C)N)cc1Cl ZINC000040922893 372800711 /nfs/dbraw/zinc/80/07/11/372800711.db2.gz CSWVAVURXMNQQF-UHFFFAOYSA-N 0 3 270.760 2.805 50 0 CFAAHN CSCc1cccc(C(=O)NC[C@H](C)N2CCCC2)c1 ZINC000042506258 372928146 /nfs/dbraw/zinc/92/81/46/372928146.db2.gz IYZHWBXITGNXEX-ZDUSSCGKSA-N 0 3 292.448 2.764 50 0 CFAAHN C[C@H]1CCCCN1C1CN(CCCc2ccco2)C1 ZINC000244884177 189913932 /nfs/dbraw/zinc/91/39/32/189913932.db2.gz YGUZKAUAADGBPC-AWEZNQCLSA-N 0 3 262.397 2.771 50 0 CFAAHN CN(CCc1ccccn1)CC[C@@H](O)c1ccccc1 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C[C@@H](NCc1cnn(-c2ccccc2)c1)[C@H](C)n1cccn1 ZINC000069372007 274253040 /nfs/dbraw/zinc/25/30/40/274253040.db2.gz OILHUZGWZSVGEE-CABCVRRESA-N 0 3 295.390 2.808 50 0 CFAAHN CC(C)c1ccc(OC[C@H](O)CN2CCCC2)cc1 ZINC000000206951 276055192 /nfs/dbraw/zinc/05/51/92/276055192.db2.gz HAJBFEHBXHROOF-OAHLLOKOSA-N 0 3 263.381 2.646 50 0 CFAAHN CCNCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000031933682 276421645 /nfs/dbraw/zinc/42/16/45/276421645.db2.gz KACVAQBDUWYRCO-UHFFFAOYSA-N 0 3 285.372 2.761 50 0 CFAAHN C[C@@H]1CN(c2ccccc2CNC2CC2)C[C@@H](C)O1 ZINC000034823270 277918023 /nfs/dbraw/zinc/91/80/23/277918023.db2.gz FJHCSZVTMARRAT-CHWSQXEVSA-N 0 3 260.381 2.552 50 0 CFAAHN COc1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1 ZINC000000128078 277929533 /nfs/dbraw/zinc/92/95/33/277929533.db2.gz HMKDPQCXNBOIEW-SFHVURJKSA-N 0 3 299.370 2.948 50 0 CFAAHN CC(=O)O[C@@]1(c2ccccc2)CCN(C)CC1(C)C ZINC000000097856 278221520 /nfs/dbraw/zinc/22/15/20/278221520.db2.gz PKHXKOWXJNZTIG-MRXNPFEDSA-N 0 3 261.365 2.807 50 0 CFAAHN CC(=O)c1c(F)cccc1NCC1(N(C)C)CCOCC1 ZINC000072947508 278241456 /nfs/dbraw/zinc/24/14/56/278241456.db2.gz SSGYACJQVSMELG-UHFFFAOYSA-N 0 3 294.370 2.551 50 0 CFAAHN C[C@@H](N)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000036872344 278319246 /nfs/dbraw/zinc/31/92/46/278319246.db2.gz BBVLMJNZGIDONQ-SSDOTTSWSA-N 0 3 266.142 2.859 50 0 CFAAHN C[C@H](C1CC1)N(C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000071836813 279241891 /nfs/dbraw/zinc/24/18/91/279241891.db2.gz ZJXQGAXXZOVGMP-BMFZPTHFSA-N 0 3 278.440 2.898 50 0 CFAAHN C[C@H](CN[C@H]1CCCc2cc(F)ccc21)[S@](C)=O ZINC000097033449 279352789 /nfs/dbraw/zinc/35/27/89/279352789.db2.gz XYRBNYANTRFYAO-FWVNDXEPSA-N 0 3 269.385 2.560 50 0 CFAAHN Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)ccc1Cl ZINC000092077014 280344710 /nfs/dbraw/zinc/34/47/10/280344710.db2.gz GDBAYCLVLWMUII-GXTWGEPZSA-N 0 3 292.810 2.815 50 0 CFAAHN Cn1cc([C@@H]2OCC[C@H]2CNCc2ccc(Cl)o2)cn1 ZINC000089755302 280564510 /nfs/dbraw/zinc/56/45/10/280564510.db2.gz NZCCUSQVWCTTST-IINYFYTJSA-N 0 3 295.770 2.534 50 0 CFAAHN C[C@H](C(=O)N(C)CCC(F)(F)F)N1[C@H](C)CC[C@@H]1C ZINC000110698275 289251251 /nfs/dbraw/zinc/25/12/51/289251251.db2.gz HBDFAKOPWKXXOL-OUAUKWLOSA-N 0 3 280.334 2.659 50 0 CFAAHN CCC[C@@H](CNC(=O)c1sccc1Cl)N(C)C ZINC000534574518 328309593 /nfs/dbraw/zinc/30/95/93/328309593.db2.gz BVMYREIBDYAVPT-VIFPVBQESA-N 0 3 274.817 2.862 50 0 CFAAHN Cc1ccc(-c2cc(CNC3CCOCC3)no2)cc1 ZINC000534639218 328334929 /nfs/dbraw/zinc/33/49/29/328334929.db2.gz AIRURZUZOGCGAQ-UHFFFAOYSA-N 0 3 272.348 2.919 50 0 CFAAHN O=C(Nc1ccc(F)cc1F)C1CCN(C2CC2)CC1 ZINC000195236130 324103359 /nfs/dbraw/zinc/10/33/59/324103359.db2.gz IWQVPDPSHAITNR-UHFFFAOYSA-N 0 3 280.318 2.778 50 0 CFAAHN O=C(Nc1cc(F)ccc1F)C1CCN(C2CC2)CC1 ZINC000195236507 324103631 /nfs/dbraw/zinc/10/36/31/324103631.db2.gz ZFCHUCADXFHSEA-UHFFFAOYSA-N 0 3 280.318 2.778 50 0 CFAAHN FC(F)(F)Cn1cc(CNC2Cc3ccccc3C2)cn1 ZINC000097017344 534397362 /nfs/dbraw/zinc/39/73/62/534397362.db2.gz BQVIQGBUEMXDRA-UHFFFAOYSA-N 0 3 295.308 2.702 50 0 CFAAHN COc1ccc([C@@H](C)NCc2[nH]ncc2C)cc1F ZINC000340044264 525156947 /nfs/dbraw/zinc/15/69/47/525156947.db2.gz WUCBCWIIIFIUPU-SNVBAGLBSA-N 0 3 263.316 2.717 50 0 CFAAHN C[C@@H](NCCOc1cccnc1)c1ccc2c(c1)OCO2 ZINC000096477704 525456082 /nfs/dbraw/zinc/45/60/82/525456082.db2.gz KKYVMLCCJUZRPK-GFCCVEGCSA-N 0 3 286.331 2.540 50 0 CFAAHN CC[C@@H](C)[C@H](N)C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000236909035 567894566 /nfs/dbraw/zinc/89/45/66/567894566.db2.gz IACNNXRTEPOUFE-YGRLFVJLSA-N 0 3 280.799 2.598 50 0 CFAAHN Cc1nocc1[C@@H](C)NCCn1c(C)nc2ccccc21 ZINC000888098676 619132541 /nfs/dbraw/zinc/13/25/41/619132541.db2.gz NXLINQRWVWBRHW-LLVKDONJSA-N 0 3 284.363 2.992 50 0 CFAAHN Cn1nccc1CN(Cc1ccccc1)CC1CCOCC1 ZINC000093342142 650938418 /nfs/dbraw/zinc/93/84/18/650938418.db2.gz GSNSKEVCQCDFHQ-UHFFFAOYSA-N 0 3 299.418 2.849 50 0 CFAAHN CCc1cc(C)c(C(=O)NCCN2CCCC[C@@H]2C)o1 ZINC000134991337 647890071 /nfs/dbraw/zinc/89/00/71/647890071.db2.gz RZYHAUZJYWCPIY-ZDUSSCGKSA-N 0 3 278.396 2.755 50 0 CFAAHN C[C@H](NCCNC(=O)C(C)(C)C)c1cc(F)cc(F)c1 ZINC000096478750 230380057 /nfs/dbraw/zinc/38/00/57/230380057.db2.gz ALLDSKWNAVAZPW-JTQLQIEISA-N 0 3 284.350 2.778 50 0 CFAAHN Cc1ccccc1CNC1(C(=O)NCC2CC2)CCCC1 ZINC000095964667 185045978 /nfs/dbraw/zinc/04/59/78/185045978.db2.gz WPOMGQCIRGPHGU-UHFFFAOYSA-N 0 3 286.419 2.924 50 0 CFAAHN CC(=O)N[C@H]1CCCN(C/C(C)=C/c2ccccc2)C1 ZINC000095982578 185054293 /nfs/dbraw/zinc/05/42/93/185054293.db2.gz COQNRXLDRBOVKO-WKOYGUFESA-N 0 3 272.392 2.690 50 0 CFAAHN CC(C)c1nn(C)cc1CN(C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000095987310 185056031 /nfs/dbraw/zinc/05/60/31/185056031.db2.gz YUGWOWQRQMPQTR-WMZOPIPTSA-N 0 3 299.418 2.634 50 0 CFAAHN Cc1ccc(NC(=O)[C@@]2(C)CCCO2)c(CN(C)C)c1 ZINC000095991080 185058298 /nfs/dbraw/zinc/05/82/98/185058298.db2.gz GKXSNNOLSDETTH-MRXNPFEDSA-N 0 3 276.380 2.564 50 0 CFAAHN Fc1ccc(CSC2=NCCN2)c(Br)c1 ZINC000011155382 539357967 /nfs/dbraw/zinc/35/79/67/539357967.db2.gz YAOGOOPDXPQEFT-UHFFFAOYSA-N 0 3 289.173 2.781 50 0 CFAAHN COc1ccc(NC(=O)N2CCC[C@@H](N(C)C)C2)cc1C ZINC000077690696 539522221 /nfs/dbraw/zinc/52/22/21/539522221.db2.gz MGNCBHCTEOROQY-CQSZACIVSA-N 0 3 291.395 2.562 50 0 CFAAHN CCCOc1ccc(CN(C)C)cc1CN(C)C ZINC000015746312 346236851 /nfs/dbraw/zinc/23/68/51/346236851.db2.gz HEWVYQOFPCPYCG-UHFFFAOYSA-N 0 3 250.386 2.599 50 0 CFAAHN CCN1CCN([C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000019637649 346242459 /nfs/dbraw/zinc/24/24/59/346242459.db2.gz JFYUXPZOHQKXGW-HNNXBMFYSA-N 0 3 276.424 2.654 50 0 CFAAHN Cc1cnc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 ZINC000078947937 347280957 /nfs/dbraw/zinc/28/09/57/347280957.db2.gz BFPYAWIHXQWPTL-ROUUACIJSA-N 0 3 297.402 2.873 50 0 CFAAHN COC(=O)C(C)(C)[C@@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000097235477 347707767 /nfs/dbraw/zinc/70/77/67/347707767.db2.gz UGPIGCIOZUWLTP-CQSZACIVSA-N 0 3 291.391 2.803 50 0 CFAAHN COc1ccc([C@@H](CCO)N[C@H]2CCCSC2)cc1 ZINC000097370896 347708765 /nfs/dbraw/zinc/70/87/65/347708765.db2.gz USTRMAIWOULYKI-DZGCQCFKSA-N 0 3 281.421 2.604 50 0 CFAAHN C[C@@H](NCCc1cccs1)c1nnc2ccccn21 ZINC000097374250 347709223 /nfs/dbraw/zinc/70/92/23/347709223.db2.gz KTELZMURQRZAGQ-LLVKDONJSA-N 0 3 272.377 2.684 50 0 CFAAHN C[C@H](NCCc1cccs1)c1nnc2ccccn21 ZINC000097374249 347709259 /nfs/dbraw/zinc/70/92/59/347709259.db2.gz KTELZMURQRZAGQ-NSHDSACASA-N 0 3 272.377 2.684 50 0 CFAAHN O[C@H](CN[C@H]1CCCOc2cc(F)ccc21)c1ccco1 ZINC000170073233 348053583 /nfs/dbraw/zinc/05/35/83/348053583.db2.gz MUVOVEAYRGTMJS-UONOGXRCSA-N 0 3 291.322 2.956 50 0 CFAAHN COc1cccc2[nH]cc(CCN[C@@H](C)c3nccn3C)c21 ZINC000170593087 348054995 /nfs/dbraw/zinc/05/49/95/348054995.db2.gz JKZRXXREBHXWFZ-LBPRGKRZSA-N 0 3 298.390 2.803 50 0 CFAAHN CCCN(CC(C)(C)c1ccccc1)C(=O)CNC1CC1 ZINC000170688776 348059341 /nfs/dbraw/zinc/05/93/41/348059341.db2.gz WETUCQYMNFJVFB-UHFFFAOYSA-N 0 3 288.435 2.955 50 0 CFAAHN Cc1ccc(F)cc1CN1CCC(C(=O)NC2CC2)CC1 ZINC000195553416 348146173 /nfs/dbraw/zinc/14/61/73/348146173.db2.gz SEEHISJNNPVUMG-UHFFFAOYSA-N 0 3 290.382 2.625 50 0 CFAAHN 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CC[C@@H](NC[C@]1(O)CCSC1)c1cc(C)ccc1OC ZINC000091732709 180243363 /nfs/dbraw/zinc/24/33/63/180243363.db2.gz RTDWOXXQYJHYLS-GDBMZVCRSA-N 0 3 295.448 2.912 50 0 CFAAHN CC(C)=CCCN1CCN(Cc2ccccc2)C[C@@H](O)C1 ZINC000108273800 186209980 /nfs/dbraw/zinc/20/99/80/186209980.db2.gz OVJHNMGTJVVPJH-SFHVURJKSA-N 0 3 288.435 2.521 50 0 CFAAHN Cc1cc(CNCc2ccc(CO)cc2)ccc1F ZINC000227464736 539938148 /nfs/dbraw/zinc/93/81/48/539938148.db2.gz JUNZLZRRQDGRIV-UHFFFAOYSA-N 0 3 259.324 2.916 50 0 CFAAHN CS(=O)(=O)C[C@H](NC[C@@H]1CC=CCC1)c1ccccc1 ZINC000154985369 188175176 /nfs/dbraw/zinc/17/51/76/188175176.db2.gz NPJAJWOHLWIAHT-ZBFHGGJFSA-N 0 3 293.432 2.718 50 0 CFAAHN C[C@@H](N)C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000156104779 188243755 /nfs/dbraw/zinc/24/37/55/188243755.db2.gz JYWBGPNOGMXQHQ-GFCCVEGCSA-N 0 3 266.344 2.590 50 0 CFAAHN CC(C)(C)[C@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000158811925 188395668 /nfs/dbraw/zinc/39/56/68/188395668.db2.gz JJTJGWQLHFAFAW-DZGCQCFKSA-N 0 3 292.398 2.590 50 0 CFAAHN Cc1nc(C)c(CN[C@@H]2CCN(C3CCCCC3)C2)o1 ZINC000628339061 354552032 /nfs/dbraw/zinc/55/20/32/354552032.db2.gz DIXMXTIYHSVHKT-CQSZACIVSA-N 0 3 277.412 2.788 50 0 CFAAHN C[C@@H](N[C@@H](CO)c1ccc(Cl)c(F)c1)C1CC1 ZINC000092768880 540413079 /nfs/dbraw/zinc/41/30/79/540413079.db2.gz QXKWZWOIPKOXBL-OQPBUACISA-N 0 3 257.736 2.901 50 0 CFAAHN CC(C)C(=O)N1CC[C@H](N[C@@H]2CCCc3sccc32)C1 ZINC000095423790 540723975 /nfs/dbraw/zinc/72/39/75/540723975.db2.gz YMJAAZRIRQNVAH-GXTWGEPZSA-N 0 3 292.448 2.972 50 0 CFAAHN Clc1ccc([C@H]2CCCN(CCn3cnnc3)C2)cc1 ZINC000670440840 540995769 /nfs/dbraw/zinc/99/57/69/540995769.db2.gz HUNIENPASMRLKW-AWEZNQCLSA-N 0 3 290.798 2.811 50 0 CFAAHN c1ccc(O[C@@H]2CCN(C3CSCCSC3)C2)cc1 ZINC000670448385 540997729 /nfs/dbraw/zinc/99/77/29/540997729.db2.gz MCXKKIUBOWKSOQ-OAHLLOKOSA-N 0 3 295.473 2.988 50 0 CFAAHN Cc1nc(CN2CCC[C@@H](Cn3ccnc3C)C2)cs1 ZINC000670451732 540999349 /nfs/dbraw/zinc/99/93/49/540999349.db2.gz TVTIQGHAFPCGNG-CQSZACIVSA-N 0 3 290.436 2.869 50 0 CFAAHN CN1C(=O)[C@@H]2CCC[C@H]1CN(C/C=C/c1ccccc1)C2 ZINC000670456392 541001665 /nfs/dbraw/zinc/00/16/65/541001665.db2.gz IJCLOZIJZJQPMC-BRBWODKKSA-N 0 3 284.403 2.643 50 0 CFAAHN Cc1[nH]nc2c1CN(C[C@@H](C)c1ccccc1)CC2 ZINC000670473132 541011327 /nfs/dbraw/zinc/01/13/27/541011327.db2.gz ZSOFTGYADQOLFN-GFCCVEGCSA-N 0 3 255.365 2.880 50 0 CFAAHN Cc1n[nH]c2c1CN(C[C@@H](C)c1ccccc1)CC2 ZINC000670473132 541011328 /nfs/dbraw/zinc/01/13/28/541011328.db2.gz ZSOFTGYADQOLFN-GFCCVEGCSA-N 0 3 255.365 2.880 50 0 CFAAHN CCNC(=O)N1CC[C@H](N[C@@H](CC)c2ccccc2F)C1 ZINC000180945073 189284561 /nfs/dbraw/zinc/28/45/61/189284561.db2.gz RPMZPIDOCBQBPX-WFASDCNBSA-N 0 3 293.386 2.670 50 0 CFAAHN Cc1cc(C)n(CCCNCc2ccc(-c3cc[nH]n3)o2)n1 ZINC000433345051 240149831 /nfs/dbraw/zinc/14/98/31/240149831.db2.gz VFNJFZJOPKZJON-UHFFFAOYSA-N 0 3 299.378 2.663 50 0 CFAAHN NCc1cc(-c2ccc(Br)c(Cl)c2)n[nH]1 ZINC000685949876 541458467 /nfs/dbraw/zinc/45/84/67/541458467.db2.gz VEVOKKZCKKFOTB-UHFFFAOYSA-N 0 3 286.560 2.951 50 0 CFAAHN 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/nfs/dbraw/zinc/45/83/15/383458315.db2.gz QXUIZLZCKJTVEV-YJBOKZPZSA-N 0 3 286.419 2.766 50 0 CFAAHN Cc1ccc(F)c(CN2CCC[C@@H]([C@H](C)O)C2)c1 ZINC000252586692 383421227 /nfs/dbraw/zinc/42/12/27/383421227.db2.gz RXNWDGOQBSECFP-QWHCGFSZSA-N 0 3 251.345 2.727 50 0 CFAAHN CC(C)C[C@@H]1C[C@@H](N[C@H]2CCn3ccnc32)CCO1 ZINC000453183122 383794438 /nfs/dbraw/zinc/79/44/38/383794438.db2.gz NLBDXCCTTPTULX-MJBXVCDLSA-N 0 3 263.385 2.511 50 0 CFAAHN CC(C)C[C@@H]1C[C@H](N[C@H]2CCn3ccnc32)CCO1 ZINC000453183120 383794611 /nfs/dbraw/zinc/79/46/11/383794611.db2.gz NLBDXCCTTPTULX-MCIONIFRSA-N 0 3 263.385 2.511 50 0 CFAAHN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000096419231 256790215 /nfs/dbraw/zinc/79/02/15/256790215.db2.gz GGVCKTYLHILYTR-ROUUACIJSA-N 0 3 298.430 2.842 50 0 CFAAHN Cc1cccc(OC[C@H](O)CN(C)CCc2ccccc2)c1 ZINC000051404532 256876846 /nfs/dbraw/zinc/87/68/46/256876846.db2.gz CVZJNEOLZPGNGH-GOSISDBHSA-N 0 3 299.414 2.909 50 0 CFAAHN CN(C)CCOCCOc1ccc(Cl)c(Cl)c1 ZINC000002822792 256857525 /nfs/dbraw/zinc/85/75/25/256857525.db2.gz RQGQYGCMTIUTOM-UHFFFAOYSA-N 0 3 278.179 2.950 50 0 CFAAHN COC(=O)C1CCC(NCc2cc(F)ccc2F)CC1 ZINC000237119201 131005620 /nfs/dbraw/zinc/00/56/20/131005620.db2.gz MICXSZFFBPUUTC-UHFFFAOYSA-N 0 3 283.318 2.786 50 0 CFAAHN C[C@H](NC(=O)C(C)(C)N)c1cccc(Cl)c1Cl ZINC000237541500 131039978 /nfs/dbraw/zinc/03/99/78/131039978.db2.gz BRZSGBAGWQULMT-ZETCQYMHSA-N 0 3 275.179 2.908 50 0 CFAAHN C[C@H]1CCCCN1C1CN(CCCc2cccnc2)C1 ZINC000243885598 131083289 /nfs/dbraw/zinc/08/32/89/131083289.db2.gz AATLNKPWDJNZCC-HNNXBMFYSA-N 0 3 273.424 2.573 50 0 CFAAHN CN(C)[C@H](CNC(=O)c1ccsc1)c1ccccc1 ZINC000025167602 393492828 /nfs/dbraw/zinc/49/28/28/393492828.db2.gz WDLRNKLMMGNXKR-CQSZACIVSA-N 0 3 274.389 2.781 50 0 CFAAHN Cc1ccnc(NC[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000032593137 393514278 /nfs/dbraw/zinc/51/42/78/393514278.db2.gz AAAMTSWYSMQRJO-INIZCTEOSA-N 0 3 282.391 2.719 50 0 CFAAHN C(C1CCC2(CC1)OCCO2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000190191366 393579017 /nfs/dbraw/zinc/57/90/17/393579017.db2.gz KUKWPYSPMSHOFF-HOTGVXAUSA-N 0 3 295.423 2.563 50 0 CFAAHN CC(C)=CCN1CCC2(CC1)NC(=O)c1cccc(C)c1N2 ZINC000069706557 393637156 /nfs/dbraw/zinc/63/71/56/393637156.db2.gz MTLXESOFHJOVPR-UHFFFAOYSA-N 0 3 299.418 2.909 50 0 CFAAHN FC(F)(F)c1ccc(N2CCNCC2)c(Cl)c1 ZINC000070283431 393638647 /nfs/dbraw/zinc/63/86/47/393638647.db2.gz UIXJBZRBMFCQSO-UHFFFAOYSA-N 0 3 264.678 2.768 50 0 CFAAHN Cc1ccsc1CN1CCc2[nH]cnc2[C@@H]1c1ncc[nH]1 ZINC000072154159 393642585 /nfs/dbraw/zinc/64/25/85/393642585.db2.gz RSDNQWGIXCNJMU-CQSZACIVSA-N 0 3 299.403 2.650 50 0 CFAAHN CN(C)C(=O)CN1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000072154334 393642712 /nfs/dbraw/zinc/64/27/12/393642712.db2.gz IDMXCFNTMUZMOZ-HNNXBMFYSA-N 0 3 292.398 2.559 50 0 CFAAHN FC(F)(F)c1cc([C@@H]2CCCCN2)nc2nccn21 ZINC000072343512 393649856 /nfs/dbraw/zinc/64/98/56/393649856.db2.gz JLSIRVFVGNTXTD-QMMMGPOBSA-N 0 3 270.258 2.563 50 0 CFAAHN OCCn1ncc2c1CCC[C@@H]2NC/C=C\c1ccccc1 ZINC000096297205 393818557 /nfs/dbraw/zinc/81/85/57/393818557.db2.gz PXFUOMIPKYCFBZ-AFCDSYGPSA-N 0 3 297.402 2.556 50 0 CFAAHN C[C@@H]1CCN(Cc2cnc3ccccn23)C[C@H]1n1ccnc1 ZINC000245592636 393818790 /nfs/dbraw/zinc/81/87/90/393818790.db2.gz KXUQRNXNKQXREX-GDBMZVCRSA-N 0 3 295.390 2.614 50 0 CFAAHN OCCCCCN1CCc2c(Cl)cccc2C1 ZINC000096417903 393826046 /nfs/dbraw/zinc/82/60/46/393826046.db2.gz RZIDPCWHNHKHSF-UHFFFAOYSA-N 0 3 253.773 2.861 50 0 CFAAHN CCOCCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000096421104 393828112 /nfs/dbraw/zinc/82/81/12/393828112.db2.gz TULBIKXFROGDFJ-UHFFFAOYSA-N 0 3 294.370 2.513 50 0 CFAAHN O[C@H](CN(C[C@@H]1CCCO1)C1CC1)c1ccc(F)cc1 ZINC000096424440 393829779 /nfs/dbraw/zinc/82/97/79/393829779.db2.gz SDVBRRUTFLVHJS-JKSUJKDBSA-N 0 3 279.355 2.503 50 0 CFAAHN CN(Cc1ccc(F)cc1Cl)C(=O)C1(N)CCCC1 ZINC000170046639 394371135 /nfs/dbraw/zinc/37/11/35/394371135.db2.gz OAMZQCCWDSEDDK-UHFFFAOYSA-N 0 3 284.762 2.709 50 0 CFAAHN C[C@H]1CCCCN1CCNC(=O)/C=C/c1ccccc1 ZINC000046859049 397582797 /nfs/dbraw/zinc/58/27/97/397582797.db2.gz HXCVEZBIHDIILG-NKSUMMKUSA-N 0 3 272.392 2.690 50 0 CFAAHN c1ccc2c(c1)OCCC[C@H]2N[C@H]1CCN(C2CC2)C1 ZINC000095421482 397591846 /nfs/dbraw/zinc/59/18/46/397591846.db2.gz PNCNYTAXBYROJZ-XJKSGUPXSA-N 0 3 272.392 2.727 50 0 CFAAHN COCCNCCOc1ccc(C(C)(C)C)cc1C ZINC000003003479 169849397 /nfs/dbraw/zinc/84/93/97/169849397.db2.gz SRTLFCVPOJWHKK-UHFFFAOYSA-N 0 3 265.397 2.907 50 0 CFAAHN CC[C@H](CO)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000004942862 170043017 /nfs/dbraw/zinc/04/30/17/170043017.db2.gz LQZOFNYZWZTGCB-CYBMUJFWSA-N 0 3 263.312 2.946 50 0 CFAAHN CCC(=O)c1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000005067738 170063311 /nfs/dbraw/zinc/06/33/11/170063311.db2.gz CQUDAXVIPIKFOT-HNNXBMFYSA-N 0 3 291.391 2.505 50 0 CFAAHN CCN1CCC[C@@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000005346263 170088421 /nfs/dbraw/zinc/08/84/21/170088421.db2.gz SZSKDUNETSHZNC-CYBMUJFWSA-N 0 3 289.354 2.521 50 0 CFAAHN CC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1OC ZINC000005907663 170153391 /nfs/dbraw/zinc/15/33/91/170153391.db2.gz YHSYSVGQSGCKMU-JTQLQIEISA-N 0 3 278.179 2.863 50 0 CFAAHN C[C@H](O)CNCc1cccc(OCc2ccccc2F)c1 ZINC000005911934 170154254 /nfs/dbraw/zinc/15/42/54/170154254.db2.gz YROGYEPXHCLCEA-ZDUSSCGKSA-N 0 3 289.350 2.875 50 0 CFAAHN CC(C)Cc1ccc([C@@H](C)N[C@H](C)CC(N)=O)cc1 ZINC000006651143 170222356 /nfs/dbraw/zinc/22/23/56/170222356.db2.gz QNHORKKDTZFNNY-CHWSQXEVSA-N 0 3 262.397 2.800 50 0 CFAAHN Cc1ccc(C)c(NC(=O)NC2CCN(C)CC2)c1 ZINC000006731535 170235925 /nfs/dbraw/zinc/23/59/25/170235925.db2.gz KKBUKIGOIZJIFO-UHFFFAOYSA-N 0 3 261.369 2.519 50 0 CFAAHN CCc1ccccc1NC(=O)NCCN1CCCCC1 ZINC000006742379 170238249 /nfs/dbraw/zinc/23/82/49/170238249.db2.gz GWSIFTGMQFXMOP-UHFFFAOYSA-N 0 3 275.396 2.856 50 0 CFAAHN CCCN1CCC(NC(=S)Nc2cccc(F)c2)CC1 ZINC000006854144 170249428 /nfs/dbraw/zinc/24/94/28/170249428.db2.gz HEBYNXIZLKHFNA-UHFFFAOYSA-N 0 3 295.427 2.987 50 0 CFAAHN CCOc1c(Cl)cc(Cl)cc1CNC[C@@H](C)O ZINC000008253429 170327188 /nfs/dbraw/zinc/32/71/88/170327188.db2.gz BRUZXBRYEPXIIA-MRVPVSSYSA-N 0 3 278.179 2.863 50 0 CFAAHN CCOc1c(Cl)cc(CN[C@@H](CC)CO)cc1OC ZINC000008326279 170331334 /nfs/dbraw/zinc/33/13/34/170331334.db2.gz UWJSUAKAHMHDGJ-NSHDSACASA-N 0 3 287.787 2.608 50 0 CFAAHN CN(C)Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000008719955 170349403 /nfs/dbraw/zinc/34/94/03/170349403.db2.gz ORMCEDSBGOLEJL-UHFFFAOYSA-N 0 3 294.358 2.877 50 0 CFAAHN Cc1cnc(NC(=O)C2Oc3ccccc3O[C@H]2C)s1 ZINC000009336365 170372668 /nfs/dbraw/zinc/37/26/68/170372668.db2.gz FDEQPSGXZOHGIA-JOYOIKCWSA-N 0 3 290.344 2.619 50 0 CFAAHN COCCCNCc1cc(Br)ccc1OC ZINC000013722299 170581790 /nfs/dbraw/zinc/58/17/90/170581790.db2.gz JDEYJIIRWHZAPS-UHFFFAOYSA-N 0 3 288.185 2.584 50 0 CFAAHN CC(C)(C)OC(=O)N[C@@H](CN)c1ccccc1Cl ZINC000019682496 170838484 /nfs/dbraw/zinc/83/84/84/170838484.db2.gz MRXCXNCLZMHEAL-NSHDSACASA-N 0 3 270.760 2.865 50 0 CFAAHN COc1ccc(OC)c(CNC[C@@H](CC(C)C)N(C)C)c1 ZINC000020201650 171065974 /nfs/dbraw/zinc/06/59/74/171065974.db2.gz NVGWHDVYONIDSL-OAHLLOKOSA-N 0 3 294.439 2.770 50 0 CFAAHN CC[C@@H]1CN(Cc2c[nH]c(-c3ccccc3)n2)CCN1C ZINC000020256015 171110414 /nfs/dbraw/zinc/11/04/14/171110414.db2.gz XSDSFBQKBOUZOH-MRXNPFEDSA-N 0 3 284.407 2.603 50 0 CFAAHN CC[C@@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)CCN1C ZINC000020256015 171110416 /nfs/dbraw/zinc/11/04/16/171110416.db2.gz XSDSFBQKBOUZOH-MRXNPFEDSA-N 0 3 284.407 2.603 50 0 CFAAHN NCc1cc(Br)ccc1OC(F)F ZINC000020483512 171223639 /nfs/dbraw/zinc/22/36/39/171223639.db2.gz RYRATUHAXYDQLG-UHFFFAOYSA-N 0 3 252.058 2.509 50 0 CFAAHN Cc1ccc(SCCCN2CCN(C)CC2)cc1 ZINC000020639222 171268830 /nfs/dbraw/zinc/26/88/30/171268830.db2.gz WAHQSXWJXAJGSP-UHFFFAOYSA-N 0 3 264.438 2.725 50 0 CFAAHN CN(C)Cc1ccccc1CNC(=O)CCc1ccccc1 ZINC000021938348 171337951 /nfs/dbraw/zinc/33/79/51/171337951.db2.gz OSOPVJINPVVKOU-UHFFFAOYSA-N 0 3 296.414 2.997 50 0 CFAAHN COc1ccc(CNC[C@H](O)c2ccccc2)cc1OC ZINC000021983378 171344804 /nfs/dbraw/zinc/34/48/04/171344804.db2.gz CGEUGWRWCSCAOA-HNNXBMFYSA-N 0 3 287.359 2.527 50 0 CFAAHN CCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1 ZINC000022063703 171351581 /nfs/dbraw/zinc/35/15/81/171351581.db2.gz YGKUEOZJFIXDGI-UHFFFAOYSA-N 0 3 281.421 2.680 50 0 investigational CFAAHN Cc1ccoc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000022516743 171389590 /nfs/dbraw/zinc/38/95/90/171389590.db2.gz RFMOVOVDAISHAM-AWEZNQCLSA-N 0 3 272.348 2.621 50 0 CFAAHN CC(C)(C)c1ccc2oc(N3CCNCC3)nc2c1 ZINC000022637941 171395078 /nfs/dbraw/zinc/39/50/78/171395078.db2.gz LQPUCVXPJUUJFP-UHFFFAOYSA-N 0 3 259.353 2.535 50 0 CFAAHN COc1ccc(CNC[C@H](C)Oc2ccccn2)cc1 ZINC000035287327 172105129 /nfs/dbraw/zinc/10/51/29/172105129.db2.gz NVKFAOMIOREZHP-ZDUSSCGKSA-N 0 3 272.348 2.647 50 0 CFAAHN CC(C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000037547419 173264628 /nfs/dbraw/zinc/26/46/28/173264628.db2.gz TWMRYWXXUNOWEG-OAHLLOKOSA-N 0 3 288.435 2.854 50 0 CFAAHN C[C@@H]1CCCC[C@@H]1CN1CCN(CC(F)F)CC1 ZINC000097108439 287283716 /nfs/dbraw/zinc/28/37/16/287283716.db2.gz 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2.877 50 0 CFAAHN CCn1nc(CNC2CCCC2)c(-c2ccccc2)n1 ZINC000045944821 175387509 /nfs/dbraw/zinc/38/75/09/175387509.db2.gz FKGGHUAYTONFOK-UHFFFAOYSA-N 0 3 270.380 2.997 50 0 CFAAHN CSc1ccc(CNCCOc2ccccn2)cc1 ZINC000045945488 175387752 /nfs/dbraw/zinc/38/77/52/175387752.db2.gz CNNKDZOHMQFTFS-UHFFFAOYSA-N 0 3 274.389 2.972 50 0 CFAAHN CN1CCC(CC(=O)NCCSc2ccccc2)CC1 ZINC000071384798 176146968 /nfs/dbraw/zinc/14/69/68/176146968.db2.gz LTTDWWRHRVPHBB-UHFFFAOYSA-N 0 3 292.448 2.627 50 0 CFAAHN Cc1ccc(NC(=O)CCOC(C)C)c(CN(C)C)c1 ZINC000071905239 176296298 /nfs/dbraw/zinc/29/62/98/176296298.db2.gz XQNKIHQYCWGQTO-UHFFFAOYSA-N 0 3 278.396 2.810 50 0 CFAAHN c1ccc(SCCN2CCN(CC3CC3)CC2)cc1 ZINC000071910649 176297527 /nfs/dbraw/zinc/29/75/27/176297527.db2.gz JWBQTSZUFLTAAQ-UHFFFAOYSA-N 0 3 276.449 2.806 50 0 CFAAHN CCCCCCN1CCCN(C(=O)C(C)C)CC1 ZINC000071920939 176300320 /nfs/dbraw/zinc/30/03/20/176300320.db2.gz NKQUEMYFEUVMIT-UHFFFAOYSA-N 0 3 254.418 2.757 50 0 CFAAHN CC[C@H](NC(=O)C1CCN(C)CC1)c1ccccc1 ZINC000072117490 176319288 /nfs/dbraw/zinc/31/92/88/176319288.db2.gz NXZBPAZUOCLLNA-HNNXBMFYSA-N 0 3 260.381 2.596 50 0 CFAAHN Fc1ccc(N2CCCN(Cc3ccccn3)CC2)cc1 ZINC000072139048 176323046 /nfs/dbraw/zinc/32/30/46/176323046.db2.gz PDSYKGZMXDTJNF-UHFFFAOYSA-N 0 3 285.366 2.933 50 0 CFAAHN CC[C@H]1CN(Cc2cnn(C)c2C2CC2)CCN1C(C)C ZINC000072168541 176332230 /nfs/dbraw/zinc/33/22/30/176332230.db2.gz MNCGUEXDKWRMKO-INIZCTEOSA-N 0 3 290.455 2.602 50 0 CFAAHN COc1cccc([C@H](CNc2nnc(C)s2)N(C)C)c1 ZINC000072293290 176362468 /nfs/dbraw/zinc/36/24/68/176362468.db2.gz AXZVTCPOBVRKMK-ZDUSSCGKSA-N 0 3 292.408 2.570 50 0 CFAAHN CC(C)c1nn(C)cc1CNCc1cccc(N(C)C)c1 ZINC000078552640 177353511 /nfs/dbraw/zinc/35/35/11/177353511.db2.gz KATWPGBMXLQDMC-UHFFFAOYSA-N 0 3 286.423 2.899 50 0 CFAAHN Cc1cc(C(=O)Nc2ccc(C)cc2CN(C)C)on1 ZINC000078704155 177373828 /nfs/dbraw/zinc/37/38/28/177373828.db2.gz QFHGTOWDXZKYPT-UHFFFAOYSA-N 0 3 273.336 2.605 50 0 CFAAHN NC(=O)[C@@H](NCCc1cccc(Cl)c1)c1ccccc1 ZINC000026220208 260131162 /nfs/dbraw/zinc/13/11/62/260131162.db2.gz CKEQTJISDKYXIT-HNNXBMFYSA-N 0 3 288.778 2.699 50 0 CFAAHN Brc1csc(CNC[C@H]2CCCO2)c1 ZINC000020305880 262245320 /nfs/dbraw/zinc/24/53/20/262245320.db2.gz YIBIWRYDHKNDIT-SECBINFHSA-N 0 3 276.199 2.779 50 0 CFAAHN Clc1ccc(N2CCN([C@H]3CCSC3)CC2)cc1 ZINC000055292515 274881416 /nfs/dbraw/zinc/88/14/16/274881416.db2.gz VNXLJDWQUFOKTM-AWEZNQCLSA-N 0 3 282.840 2.968 50 0 CFAAHN Nc1c2ccccc2oc(=O)c1CN1CCCCCC1 ZINC000003850683 274964125 /nfs/dbraw/zinc/96/41/25/274964125.db2.gz XGOYMBAATJGHCG-UHFFFAOYSA-N 0 3 272.348 2.751 50 0 CFAAHN O=C1CCCc2cc(O[C@@]34CCN(C3)CCC4)ccc21 ZINC000067954261 275017515 /nfs/dbraw/zinc/01/75/15/275017515.db2.gz XTILBJCJCDQCDL-KRWDZBQOSA-N 0 3 271.360 2.823 50 0 CFAAHN CC(C)(C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000020100566 275515070 /nfs/dbraw/zinc/51/50/70/275515070.db2.gz QARCOPDMYGQRIE-UHFFFAOYSA-N 0 3 274.408 2.813 50 0 CFAAHN CC(C)C[C@@H](CN(C)C)NC(=O)C1=CCCCC1 ZINC000225478612 275899742 /nfs/dbraw/zinc/89/97/42/275899742.db2.gz DSZWWIIHECDBGW-AWEZNQCLSA-N 0 3 252.402 2.579 50 0 CFAAHN CCCN1CCn2c3ccc(OC)cc3c3c2C1=NCC3 ZINC000000489153 276014125 /nfs/dbraw/zinc/01/41/25/276014125.db2.gz PZCCWLITYSUDQY-UHFFFAOYSA-N 0 3 283.375 2.678 50 0 CFAAHN CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](C)N)cc1 ZINC000158053765 276056617 /nfs/dbraw/zinc/05/66/17/276056617.db2.gz LABHOCUJCIAKKI-DOMZBBRYSA-N 0 3 260.381 2.821 50 0 CFAAHN CC[C@H](CO)N[C@@H](C)c1ccc(Br)s1 ZINC000038002113 287876786 /nfs/dbraw/zinc/87/67/86/287876786.db2.gz NVAGHGPADPQEDU-JGVFFNPUSA-N 0 3 278.215 2.932 50 0 CFAAHN CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC000095079999 276580697 /nfs/dbraw/zinc/58/06/97/276580697.db2.gz BNMGOWXQUZHWIO-ZDUSSCGKSA-N 0 3 297.333 2.935 50 0 CFAAHN CC(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000025460718 277332658 /nfs/dbraw/zinc/33/26/58/277332658.db2.gz YCISCJXJZALNCR-UHFFFAOYSA-N 0 3 274.408 2.596 50 0 CFAAHN CSCCN(C)Cc1cc(C)ccc1-n1cccn1 ZINC000216333876 278129633 /nfs/dbraw/zinc/12/96/33/278129633.db2.gz QWHILYIXHSADTM-UHFFFAOYSA-N 0 3 275.421 2.976 50 0 CFAAHN CC(=O)O[C@]1(c2ccccc2)CCN(C)CC1(C)C ZINC000000097860 278222558 /nfs/dbraw/zinc/22/25/58/278222558.db2.gz PKHXKOWXJNZTIG-INIZCTEOSA-N 0 3 261.365 2.807 50 0 CFAAHN C[C@H]1CCCCN1CCNC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000106077626 278332697 /nfs/dbraw/zinc/33/26/97/278332697.db2.gz QFJKRIBSYITRKW-CMPLNLGQSA-N 0 3 293.238 2.561 50 0 CFAAHN Cc1n[nH]c(C)c1CNC[C@H](c1ccc(F)cc1)N(C)C ZINC000097159448 279054880 /nfs/dbraw/zinc/05/48/80/279054880.db2.gz OUDYCSPMWSFHTI-MRXNPFEDSA-N 0 3 290.386 2.558 50 0 CFAAHN O=C(C1CCC1)N1CCCSC[C@H]1CN1CCCCC1 ZINC000085473278 279738860 /nfs/dbraw/zinc/73/88/60/279738860.db2.gz YVHUBHSLBOBEFB-OAHLLOKOSA-N 0 3 296.480 2.607 50 0 CFAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C1CCC1 ZINC000000052224 281127855 /nfs/dbraw/zinc/12/78/55/281127855.db2.gz AMXKHKZYEPHIKK-NVXWUHKLSA-N 0 3 284.403 2.929 50 0 CFAAHN CN1C(=O)C[C@@H](NCCCF)[C@H]1c1ccc(Cl)cc1 ZINC000192159713 289829038 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/nfs/dbraw/zinc/35/03/83/328350383.db2.gz JXPRSYYTMOGCRD-LLVKDONJSA-N 0 3 261.394 2.857 50 0 CFAAHN Cc1cccc2nc(CN[C@@H]3CCCSC3)[nH]c21 ZINC000534662394 328350384 /nfs/dbraw/zinc/35/03/84/328350384.db2.gz JXPRSYYTMOGCRD-LLVKDONJSA-N 0 3 261.394 2.857 50 0 CFAAHN CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H](C)N)cc1 ZINC000158054061 323630082 /nfs/dbraw/zinc/63/00/82/323630082.db2.gz LABHOCUJCIAKKI-WFASDCNBSA-N 0 3 260.381 2.821 50 0 CFAAHN CNCC(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000193135901 324068971 /nfs/dbraw/zinc/06/89/71/324068971.db2.gz IHAIHPUAPFZYBQ-UHFFFAOYSA-N 0 3 286.400 2.673 50 0 CFAAHN CC(=O)Nc1ccc(CN2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000195573491 324109372 /nfs/dbraw/zinc/10/93/72/324109372.db2.gz QUTHFQTYLLSWOJ-QGZVFWFLSA-N 0 3 298.390 2.506 50 0 CFAAHN COc1cc(CNC[C@H]2CCCS2)cc(OC)c1 ZINC000122044384 533885163 /nfs/dbraw/zinc/88/51/63/533885163.db2.gz AWMYTERQRCCRPK-CQSZACIVSA-N 0 3 267.394 2.689 50 0 CFAAHN Cc1cc2cc(CNC3(CO)CCOCC3)oc2cc1C ZINC000096453978 534089345 /nfs/dbraw/zinc/08/93/45/534089345.db2.gz ISITVHYXXCVRTD-UHFFFAOYSA-N 0 3 289.375 2.681 50 0 CFAAHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000096447529 534198142 /nfs/dbraw/zinc/19/81/42/534198142.db2.gz LGTBDOURKJSQFQ-RHSMWYFYSA-N 0 3 284.359 2.715 50 0 CFAAHN O=C(CCNC/C=C\c1ccccc1)NC1CCCC1 ZINC000098009387 534430794 /nfs/dbraw/zinc/43/07/94/534430794.db2.gz ACQDCHBABPNMKS-TWGQIWQCSA-N 0 3 272.392 2.738 50 0 CFAAHN CNCc1cc(-c2ccc(F)c(Br)c2)n[nH]1 ZINC000061690653 522104467 /nfs/dbraw/zinc/10/44/67/522104467.db2.gz AWSFBRCIGKPPLW-UHFFFAOYSA-N 0 3 284.132 2.698 50 0 CFAAHN COC[C@@H]1CCN(Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215101060 522474543 /nfs/dbraw/zinc/47/45/43/522474543.db2.gz DAWIFVYPMCZAIC-CQSZACIVSA-N 0 3 289.423 2.993 50 0 CFAAHN Cc1cccc(C)c1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335142425 524286232 /nfs/dbraw/zinc/28/62/32/524286232.db2.gz UYHZPAXCVGVXBJ-LSDHHAIUSA-N 0 3 287.407 2.861 50 0 CFAAHN CCO[C@@H]1C[C@](CO)(NCc2ccc(C)c(C)c2)C1(C)C ZINC000170602236 527974729 /nfs/dbraw/zinc/97/47/29/527974729.db2.gz XQTUZDYBOSXPBN-SJLPKXTDSA-N 0 3 291.435 2.959 50 0 CFAAHN CC1(N2CCC(=O)CC2)CCN(Cc2ccccc2)CC1 ZINC000205279544 574072349 /nfs/dbraw/zinc/07/23/49/574072349.db2.gz LGLAFLBCZNKOLN-UHFFFAOYSA-N 0 3 286.419 2.706 50 0 CFAAHN Cc1nocc1[C@H](C)NCCCNC(=O)c1cccs1 ZINC000888098599 619132443 /nfs/dbraw/zinc/13/24/43/619132443.db2.gz LRVMFPXVWYAAEO-JTQLQIEISA-N 0 3 293.392 2.515 50 0 CFAAHN Cc1cc(=O)oc2cc(N=c3ccccn3C)ccc12 ZINC000888105035 619140353 /nfs/dbraw/zinc/14/03/53/619140353.db2.gz AUHTVELIXMJVCD-UHFFFAOYSA-N 0 3 266.300 2.672 50 0 CFAAHN CCOC(=O)C1(CCOc2ccccc2)CCN(C)CC1 ZINC000012228200 626258744 /nfs/dbraw/zinc/25/87/44/626258744.db2.gz KJMGNCWJCYYLGO-UHFFFAOYSA-N 0 3 291.391 2.731 50 0 CFAAHN CC(=O)N(C)C1CCN(Cc2coc3ccccc23)CC1 ZINC000092538251 650921948 /nfs/dbraw/zinc/92/19/48/650921948.db2.gz BBSKCMOUORAUGX-UHFFFAOYSA-N 0 3 286.375 2.876 50 0 CFAAHN CCOC(=O)C1(Cc2cccc(F)c2)CCN(C)CC1 ZINC000015074303 651184781 /nfs/dbraw/zinc/18/47/81/651184781.db2.gz QGIOBIOIWICABC-UHFFFAOYSA-N 0 3 279.355 2.643 50 0 CFAAHN Nc1nc2cc(C(F)(F)C(F)(F)F)ccc2[nH]1 ZINC000725343470 775365439 /nfs/dbraw/zinc/36/54/39/775365439.db2.gz ADDZAUMCNGTEPR-UHFFFAOYSA-N 0 3 251.158 2.799 50 0 CFAAHN Nc1nc2ccc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000725343470 775365444 /nfs/dbraw/zinc/36/54/44/775365444.db2.gz ADDZAUMCNGTEPR-UHFFFAOYSA-N 0 3 251.158 2.799 50 0 CFAAHN C[C@@H]1C[C@H](c2cccc(F)c2)N(CCN2CCOC2=O)C1 ZINC000096441532 230373077 /nfs/dbraw/zinc/37/30/77/230373077.db2.gz JWIACOQJQILTOG-IUODEOHRSA-N 0 3 292.354 2.661 50 0 CFAAHN C[C@H](COc1ccc(F)c(F)c1)NCc1cccnc1 ZINC000095967086 185047034 /nfs/dbraw/zinc/04/70/34/185047034.db2.gz BBGDAIKEIBRQLK-LLVKDONJSA-N 0 3 278.302 2.917 50 0 CFAAHN C[C@H](CC(N)=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000095969237 185047972 /nfs/dbraw/zinc/04/79/72/185047972.db2.gz MMWXUHSICHQZJP-BZNIZROVSA-N 0 3 278.371 2.911 50 0 CFAAHN Cc1ccc(CN[C@@H]2CCSC2)c(N2CCCC2)n1 ZINC000096004787 185063065 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C[C@@H]1CCC[C@H](NC(=O)CNCCc2ccccc2)[C@H]1C ZINC000102254273 397594041 /nfs/dbraw/zinc/59/40/41/397594041.db2.gz UALCJLFEJBRVTK-VYDXJSESSA-N 0 3 288.435 2.760 50 0 CFAAHN Cc1n[nH]c(C)c1CCN(C)C[C@H](C)C(F)(F)F ZINC000216462183 397620292 /nfs/dbraw/zinc/62/02/92/397620292.db2.gz VCXVUNPIJGUBGT-QMMMGPOBSA-N 0 3 263.307 2.699 50 0 CFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)C(C)C ZINC000001321784 292354266 /nfs/dbraw/zinc/35/42/66/292354266.db2.gz LSKOBBMGJQZPPY-HOCLYGCPSA-N 0 3 272.392 2.785 50 0 CFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@H]1C[C@H]1C ZINC000239782586 292354434 /nfs/dbraw/zinc/35/44/34/292354434.db2.gz CPLGFGVZGNQBRG-RMRKRWHISA-N 0 3 284.403 2.785 50 0 CFAAHN Fc1ccc(-n2cc(CN[C@H]3CCCSC3)cn2)cc1 ZINC000344714675 162105661 /nfs/dbraw/zinc/10/56/61/162105661.db2.gz FFSMCCZHWXDFOW-AWEZNQCLSA-N 0 3 291.395 2.997 50 0 CFAAHN COc1ccc(CN2CCC[C@H](CO)C2)c(C)c1C ZINC000004948443 170044586 /nfs/dbraw/zinc/04/45/86/170044586.db2.gz LNOWMJVGFPZKPL-AWEZNQCLSA-N 0 3 263.381 2.516 50 0 CFAAHN CC(C)=CCC/C(C)=C/CN(C[C@H](C)O)C[C@H](C)O ZINC000004988900 170050245 /nfs/dbraw/zinc/05/02/45/170050245.db2.gz RZZINQFSDGIYIW-GQXMGIGRSA-N 0 3 269.429 2.743 50 0 CFAAHN C[C@@H](NCc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 ZINC000004993744 170051798 /nfs/dbraw/zinc/05/17/98/170051798.db2.gz JJJSFNAYCUSJCN-CYBMUJFWSA-N 0 3 295.386 2.728 50 0 CFAAHN Cc1cc(NC(=O)CNC2CCCCCCC2)no1 ZINC000005793324 170140649 /nfs/dbraw/zinc/14/06/49/170140649.db2.gz BESGPFXMNOPZFM-UHFFFAOYSA-N 0 3 265.357 2.624 50 0 CFAAHN COc1c(Cl)cc(Cl)cc1CNC(C)(C)CO ZINC000005817214 170143020 /nfs/dbraw/zinc/14/30/20/170143020.db2.gz BWPNNIDBMYBDTM-UHFFFAOYSA-N 0 3 278.179 2.863 50 0 CFAAHN CCCCN(CC)C[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000005938925 170159245 /nfs/dbraw/zinc/15/92/45/170159245.db2.gz DIEPIFIUWYBJAB-MRXNPFEDSA-N 0 3 293.407 2.751 50 0 CFAAHN CCCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000006273597 170187704 /nfs/dbraw/zinc/18/77/04/170187704.db2.gz ZMUBLQTUQKXVGH-UHFFFAOYSA-N 0 3 274.408 2.815 50 0 CFAAHN Cc1ccc(C)c(NC(=O)NCCN2CCCCC2)c1 ZINC000006698331 170227302 /nfs/dbraw/zinc/22/73/02/170227302.db2.gz CYBYJOWDROKGLM-UHFFFAOYSA-N 0 3 275.396 2.911 50 0 CFAAHN CCN1CCC(NC(=O)Nc2ccc(F)cc2F)CC1 ZINC000006700266 170228994 /nfs/dbraw/zinc/22/89/94/170228994.db2.gz HOYIDWCQOPHPOE-UHFFFAOYSA-N 0 3 283.322 2.571 50 0 CFAAHN O=C(CNC1CC1)Nc1c(Cl)cccc1Cl ZINC000006784800 170243491 /nfs/dbraw/zinc/24/34/91/170243491.db2.gz ORMNSOVHORAJNK-UHFFFAOYSA-N 0 3 259.136 2.684 50 0 CFAAHN OCCCNCc1ccccc1OCc1ccc(F)cc1 ZINC000006889504 170253591 /nfs/dbraw/zinc/25/35/91/170253591.db2.gz RNJUYDFJWDKDPM-UHFFFAOYSA-N 0 3 289.350 2.877 50 0 CFAAHN CN(C)Cc1ccccc1CNC(=O)C1CCCCC1 ZINC000006992417 170261082 /nfs/dbraw/zinc/26/10/82/170261082.db2.gz NJFYQXQTIOMKJO-UHFFFAOYSA-N 0 3 274.408 2.945 50 0 CFAAHN C[C@@H]1C[C@@H](C)CN(CCOc2cccc(C=O)c2)C1 ZINC000009261386 170369447 /nfs/dbraw/zinc/36/94/47/170369447.db2.gz XEHJICFNDYDDQD-ZIAGYGMSSA-N 0 3 261.365 2.856 50 0 CFAAHN Cc1noc(C)c1CNCCCn1cnc2ccccc21 ZINC000020253250 171106303 /nfs/dbraw/zinc/10/63/03/171106303.db2.gz AXKVHAZQNGGDLB-UHFFFAOYSA-N 0 3 284.363 2.821 50 0 CFAAHN CCCn1cc(CN[C@@H]2COc3ccccc3C2)c(C)n1 ZINC000020600807 171266166 /nfs/dbraw/zinc/26/61/66/171266166.db2.gz UOULLXKSOFCXHQ-INIZCTEOSA-N 0 3 285.391 2.695 50 0 CFAAHN COC[C@@H]1CCN(CCOc2ccccc2Cl)C1 ZINC000020600842 171266284 /nfs/dbraw/zinc/26/62/84/171266284.db2.gz QLIXWKCOISIUTQ-GFCCVEGCSA-N 0 3 269.772 2.687 50 0 CFAAHN CCCOc1ccccc1CNCCCOCC ZINC000020924422 171279801 /nfs/dbraw/zinc/27/98/01/171279801.db2.gz RRBWBMBHVBYYSE-UHFFFAOYSA-N 0 3 251.370 2.992 50 0 CFAAHN Cc1csc2nc(CN(C)[C@H](C)C(C)(C)C)cc(=O)n12 ZINC000027134192 171508488 /nfs/dbraw/zinc/50/84/88/171508488.db2.gz XWSLKOIKFHWYBK-LLVKDONJSA-N 0 3 293.436 2.931 50 0 CFAAHN COc1cccc2cc(CN[C@H](C)Cn3ccnc3)oc21 ZINC000035275284 172095921 /nfs/dbraw/zinc/09/59/21/172095921.db2.gz YPVZVSRXCBDCCW-GFCCVEGCSA-N 0 3 285.347 2.816 50 0 CFAAHN Cc1ncccc1CNC[C@@H](O)[C@@H](C)c1ccccc1 ZINC000657795767 413947988 /nfs/dbraw/zinc/94/79/88/413947988.db2.gz OEVROAYZYSCCJK-SUMWQHHRSA-N 0 3 270.376 2.644 50 0 CFAAHN O=C(CNCC1CCC1)Nc1ccc(Br)cc1 ZINC000037180636 173012780 /nfs/dbraw/zinc/01/27/80/173012780.db2.gz GYBBXPAIWKIURD-UHFFFAOYSA-N 0 3 297.196 2.777 50 0 CFAAHN Cc1cc(C(=O)NCCN2CCCCCC2)sc1C ZINC000040074561 174187203 /nfs/dbraw/zinc/18/72/03/174187203.db2.gz CXPBDYHSWQERQP-UHFFFAOYSA-N 0 3 280.437 2.971 50 0 CFAAHN Cc1ccc(C)c(C(=O)NCCN2CCCCCC2)c1 ZINC000040074564 174187683 /nfs/dbraw/zinc/18/76/83/174187683.db2.gz NTHDLULDCITPAS-UHFFFAOYSA-N 0 3 274.408 2.909 50 0 CFAAHN C[C@H]1CCCCN1CCNC(=O)/C=C/c1cccc(F)c1 ZINC000040107543 174192138 /nfs/dbraw/zinc/19/21/38/174192138.db2.gz ZPVQWWFWPSTENF-VFNNOXKTSA-N 0 3 290.382 2.830 50 0 CFAAHN COc1cc(Cl)cc(CNC[C@H]2CCCO2)c1OC ZINC000040722113 174385154 /nfs/dbraw/zinc/38/51/54/174385154.db2.gz UWDAYQJUTQJFAR-GFCCVEGCSA-N 0 3 285.771 2.626 50 0 CFAAHN CCOc1ccc2ccccc2c1CNCCCO ZINC000040721056 174385172 /nfs/dbraw/zinc/38/51/72/174385172.db2.gz GXGGNGSQSPZBST-UHFFFAOYSA-N 0 3 259.349 2.711 50 0 CFAAHN CCCOc1ccc(CNCCCO)cc1Cl ZINC000040743704 174390824 /nfs/dbraw/zinc/39/08/24/174390824.db2.gz BXYXXBAPEHPXIY-UHFFFAOYSA-N 0 3 257.761 2.601 50 0 CFAAHN CC(C)Oc1ccc(CNCCCO)cc1Cl ZINC000040743750 174390918 /nfs/dbraw/zinc/39/09/18/174390918.db2.gz QVCXGQAIPRANGU-UHFFFAOYSA-N 0 3 257.761 2.599 50 0 CFAAHN CC[C@@H](C)NCc1nn(CC)nc1-c1ccccc1 ZINC000045944840 175387264 /nfs/dbraw/zinc/38/72/64/175387264.db2.gz ZQDQSRPAOXXALJ-GFCCVEGCSA-N 0 3 258.369 2.853 50 0 CFAAHN CCc1ccc(CNCCOc2ccccn2)cc1 ZINC000045945450 175387835 /nfs/dbraw/zinc/38/78/35/175387835.db2.gz DTNGQAXCVXDCTI-UHFFFAOYSA-N 0 3 256.349 2.813 50 0 CFAAHN Fc1ccccc1CNCCCOc1ccccn1 ZINC000045945476 175388056 /nfs/dbraw/zinc/38/80/56/175388056.db2.gz UGHSEWACBXQOKV-UHFFFAOYSA-N 0 3 260.312 2.779 50 0 CFAAHN CCN1CCC[C@H]1CNc1nc(C)cc(C2CCC2)n1 ZINC000071576098 176203796 /nfs/dbraw/zinc/20/37/96/176203796.db2.gz PZKGHTPZPDPTTQ-AWEZNQCLSA-N 0 3 274.412 2.949 50 0 CFAAHN Cc1cc(NCc2ccccc2COC(C)C)nc(N)n1 ZINC000071801913 176266125 /nfs/dbraw/zinc/26/61/25/176266125.db2.gz OCFLIQMHVUQGRI-UHFFFAOYSA-N 0 3 286.379 2.904 50 0 CFAAHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000071834729 176273665 /nfs/dbraw/zinc/27/36/65/176273665.db2.gz HULVBHXKYFOQRW-AWEZNQCLSA-N 0 3 285.391 2.724 50 0 CFAAHN Cc1nn(-c2ccccc2)c(C)c1CNC1CCC(O)CC1 ZINC000071837461 176274195 /nfs/dbraw/zinc/27/41/95/176274195.db2.gz PHZXQKWFTPFETC-UHFFFAOYSA-N 0 3 299.418 2.882 50 0 CFAAHN Cc1cc(N2CC[C@@H](c3cccc(F)c3)C2)nc(N)n1 ZINC000071856509 176278556 /nfs/dbraw/zinc/27/85/56/176278556.db2.gz JLTWFMXTRQLVKR-GFCCVEGCSA-N 0 3 272.327 2.500 50 0 CFAAHN CC[C@@H](c1ccc(F)cc1)N1CCC[C@H](OCCO)C1 ZINC000071915683 176299049 /nfs/dbraw/zinc/29/90/49/176299049.db2.gz QMGQKLUDQDASHZ-HOTGVXAUSA-N 0 3 281.371 2.750 50 0 CFAAHN CC[C@H]1CN(Cc2ncccc2F)CCN1C(C)C ZINC000072146081 176324932 /nfs/dbraw/zinc/32/49/32/176324932.db2.gz CZBOIZFTJDMIAQ-ZDUSSCGKSA-N 0 3 265.376 2.525 50 0 CFAAHN c1ccc([C@@H]2CCCN2Cc2cccc3nonc32)nc1 ZINC000072146608 176324938 /nfs/dbraw/zinc/32/49/38/176324938.db2.gz FLKCLJOKBYWQNW-HNNXBMFYSA-N 0 3 280.331 2.955 50 0 CFAAHN CCC(O)(CC)CNCc1cc(F)c(F)c(F)c1 ZINC000076398475 177015584 /nfs/dbraw/zinc/01/55/84/177015584.db2.gz ZSTHZTZNYMLLQD-UHFFFAOYSA-N 0 3 261.287 2.745 50 0 CFAAHN COc1ccc(CN[C@H]2CCN(c3ccccc3)C2)cc1O ZINC000078604210 177359395 /nfs/dbraw/zinc/35/93/95/177359395.db2.gz HBTUBSOZWYUFCZ-HNNXBMFYSA-N 0 3 298.386 2.769 50 0 CFAAHN O=C(NC[C@H]1CCCN(Cc2ccoc2)C1)C1CCCC1 ZINC000827720664 782042129 /nfs/dbraw/zinc/04/21/29/782042129.db2.gz IMXAUYVZLMIAOE-CQSZACIVSA-N 0 3 290.407 2.798 50 0 CFAAHN C[C@@H](NCC(=O)N1CCSc2ccccc21)C1CCC1 ZINC000095941338 274244903 /nfs/dbraw/zinc/24/49/03/274244903.db2.gz QGJDQPQZBHPWQF-GFCCVEGCSA-N 0 3 290.432 2.904 50 0 CFAAHN Cc1cn2c(n1)[C@@H](CNCc1ccc(C)o1)CCC2 ZINC000089656091 274824028 /nfs/dbraw/zinc/82/40/28/274824028.db2.gz VUVXLIPXECFFFR-CYBMUJFWSA-N 0 3 259.353 2.760 50 0 CFAAHN O=C(c1ccoc1)N1CCCN(C[C@H]2CC=CCC2)CC1 ZINC000371412767 275014744 /nfs/dbraw/zinc/01/47/44/275014744.db2.gz XXULMRJVERPVCN-HNNXBMFYSA-N 0 3 288.391 2.784 50 0 CFAAHN CCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc(CN)c1 ZINC000299793266 276136338 /nfs/dbraw/zinc/13/63/38/276136338.db2.gz IFHDGHYFTSQJIQ-HNNXBMFYSA-N 0 3 291.395 2.568 50 0 CFAAHN CC1=CCC[C@H](C)[C@H]1CN[C@H]1CCCn2ncnc21 ZINC000241588472 276181571 /nfs/dbraw/zinc/18/15/71/276181571.db2.gz PDMKGYBQJWLPHY-IHRRRGAJSA-N 0 3 260.385 2.695 50 0 CFAAHN CCSCCN1CCC=C([C@@H]2CCCCN2C(C)=O)C1 ZINC000065456936 276394839 /nfs/dbraw/zinc/39/48/39/276394839.db2.gz KTYRCCVFTMRDOY-INIZCTEOSA-N 0 3 296.480 2.773 50 0 CFAAHN CN(C)[C@H](CNC(=O)NC1CCCCC1)c1ccccc1 ZINC000010017727 276856801 /nfs/dbraw/zinc/85/68/01/276856801.db2.gz ATHADVQRYYPJLM-MRXNPFEDSA-N 0 3 289.423 2.921 50 0 CFAAHN CNCC(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000336117557 277264077 /nfs/dbraw/zinc/26/40/77/277264077.db2.gz PFCKWIPHTKKVKA-MRVPVSSYSA-N 0 3 287.190 2.659 50 0 CFAAHN COc1cc2c(cc1OC)[C@@H](c1ccccc1)NCC2 ZINC000019229988 277394650 /nfs/dbraw/zinc/39/46/50/277394650.db2.gz GZGZWZVAJDFXJK-QGZVFWFLSA-N 0 3 269.344 2.939 50 0 biogenic,in-vitro CFAAHN COc1ccc(CN[C@H](C)[C@H](C)n2cccn2)cc1 ZINC000069368926 277899004 /nfs/dbraw/zinc/89/90/04/277899004.db2.gz RPJRKXDJOATQPW-OLZOCXBDSA-N 0 3 259.353 2.631 50 0 CFAAHN C[C@H](C(=O)N1CCC[C@@H]1c1ccc[nH]1)N1CCCCCC1 ZINC000098014308 278139673 /nfs/dbraw/zinc/13/96/73/278139673.db2.gz WLDDUYHALVCARR-GDBMZVCRSA-N 0 3 289.423 2.943 50 0 CFAAHN CS[C@H]1CC[C@@H](N(C)CC(=O)N2CCCCCC2)C1 ZINC000075921863 278163102 /nfs/dbraw/zinc/16/31/02/278163102.db2.gz QRJJLLHDFYKSKX-KGLIPLIRSA-N 0 3 284.469 2.605 50 0 CFAAHN C[C@H](c1cccc(Cl)c1)N1CCC(C(N)=O)CC1 ZINC000048838694 278310166 /nfs/dbraw/zinc/31/01/66/278310166.db2.gz SABOCTHHVHSSDB-SNVBAGLBSA-N 0 3 266.772 2.598 50 0 CFAAHN Cc1cnc(NC(=O)C2Oc3ccccc3O[C@@H]2C)s1 ZINC000009336366 279019180 /nfs/dbraw/zinc/01/91/80/279019180.db2.gz FDEQPSGXZOHGIA-SKDRFNHKSA-N 0 3 290.344 2.619 50 0 CFAAHN CCN1CCCC[C@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000367427278 279276089 /nfs/dbraw/zinc/27/60/89/279276089.db2.gz XVMNICZVGWKCFK-AWEZNQCLSA-N 0 3 264.413 2.654 50 0 CFAAHN CC(C)N(C(=O)N1CC[C@@H](N(C)C)C1)c1ccc(F)cc1 ZINC000225505383 279293137 /nfs/dbraw/zinc/29/31/37/279293137.db2.gz CKPQKYGRALSJLZ-OAHLLOKOSA-N 0 3 293.386 2.796 50 0 CFAAHN CCN1CCC[C@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005019677 279332249 /nfs/dbraw/zinc/33/22/49/279332249.db2.gz MWRYYURFNBRCQG-KUNBBXKYSA-N 0 3 290.451 2.803 50 0 CFAAHN Cc1ccccc1[C@@H]1CCN(CCNc2ccncn2)C1 ZINC000091745995 281366211 /nfs/dbraw/zinc/36/62/11/281366211.db2.gz IIBFEKKRCMHWKH-OAHLLOKOSA-N 0 3 282.391 2.686 50 0 CFAAHN CN1C[C@H](N[C@H]2CC(C)(C)Cc3occc32)CCC1=O ZINC000095968244 290310148 /nfs/dbraw/zinc/31/01/48/290310148.db2.gz CVSXWBFDWFDPHF-YPMHNXCESA-N 0 3 276.380 2.504 50 0 CFAAHN COc1ccc([C@H]2C[C@@H](C)CN2CC(OC)OC)cc1 ZINC000225450561 295250302 /nfs/dbraw/zinc/25/03/02/295250302.db2.gz ORUILKNKMRCGHV-IUODEOHRSA-N 0 3 279.380 2.697 50 0 CFAAHN Cc1ccccc1-n1nnnc1C1(NC(C)C)CCCC1 ZINC000035622432 302076079 /nfs/dbraw/zinc/07/60/79/302076079.db2.gz LSHGKZBQBMHQPV-UHFFFAOYSA-N 0 3 285.395 2.738 50 0 CFAAHN OC[C@H]1C=C[C@@H](N[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000097370990 304831405 /nfs/dbraw/zinc/83/14/05/304831405.db2.gz YVIHVRGHTQYCSH-LNSITVRQSA-N 0 3 277.339 2.566 50 0 CFAAHN O=C(NCC1CCN(Cc2ccoc2)CC1)c1ccco1 ZINC000828188922 782082245 /nfs/dbraw/zinc/08/22/45/782082245.db2.gz MXUITFHOXYRYDY-UHFFFAOYSA-N 0 3 288.347 2.515 50 0 CFAAHN Cn1nc(CN[C@H]2CCSC2)c2c1cccc2Cl ZINC000534590918 328318148 /nfs/dbraw/zinc/31/81/48/328318148.db2.gz LSTGBRNWXTYRPP-VIFPVBQESA-N 0 3 281.812 2.822 50 0 CFAAHN CC(C)n1cc(CNC[C@]2(O)CCCC(C)(C)C2)cn1 ZINC000195572406 324109731 /nfs/dbraw/zinc/10/97/31/324109731.db2.gz OFJNDTVSIHHJKK-INIZCTEOSA-N 0 3 279.428 2.885 50 0 CFAAHN Cc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000096447530 534199153 /nfs/dbraw/zinc/19/91/53/534199153.db2.gz LGTBDOURKJSQFQ-WMLDXEAASA-N 0 3 284.359 2.715 50 0 CFAAHN CCNCc1cc(-c2cccc(Br)c2)n[nH]1 ZINC000050479008 519985025 /nfs/dbraw/zinc/98/50/25/519985025.db2.gz UBGTYUDQXWSFNF-UHFFFAOYSA-N 0 3 280.169 2.949 50 0 CFAAHN Cc1nc2c(cnn2C)c(-c2ccc([C@@H](C)N(C)C)cc2)n1 ZINC000426533930 534630389 /nfs/dbraw/zinc/63/03/89/534630389.db2.gz DOMCYKMTYBCTHJ-LLVKDONJSA-N 0 3 295.390 2.961 50 0 CFAAHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccc(Cl)nc1 ZINC000239761755 524685199 /nfs/dbraw/zinc/68/51/99/524685199.db2.gz CKKCVODFYGOXNA-JSGCOSHPSA-N 0 3 279.815 2.794 50 0 CFAAHN Cc1cc([C@@H]2CCCN2C[C@H]2CCCCO2)on1 ZINC000336397964 525493977 /nfs/dbraw/zinc/49/39/77/525493977.db2.gz BBVHRFHTVFUUIU-OLZOCXBDSA-N 0 3 250.342 2.689 50 0 CFAAHN CC(C)(O)[C@H]1CCCN1Cc1cc(F)ccc1F ZINC000096486813 527364532 /nfs/dbraw/zinc/36/45/32/527364532.db2.gz VOGNNIWQYVLHLW-CYBMUJFWSA-N 0 3 255.308 2.700 50 0 CFAAHN FC(F)(F)c1ccc(CNCc2cnc[nH]2)cc1 ZINC000061626445 527682221 /nfs/dbraw/zinc/68/22/21/527682221.db2.gz WYXOOQXMYUPOME-UHFFFAOYSA-N 0 3 255.243 2.718 50 0 CFAAHN CCS[C@@H]1CCCC[C@@H]1NCc1ccc(CO)o1 ZINC000096455613 529209636 /nfs/dbraw/zinc/20/96/36/529209636.db2.gz VKHHLZHPLWBIOO-UONOGXRCSA-N 0 3 269.410 2.926 50 0 CFAAHN CCC1CCC(N2CCN(c3ncccn3)CC2)CC1 ZINC000023280932 618356865 /nfs/dbraw/zinc/35/68/65/618356865.db2.gz WYMVOPBKSKYGJU-UHFFFAOYSA-N 0 3 274.412 2.567 50 0 CFAAHN Cc1ccccc1C[C@@H](NCCCO)c1ccco1 ZINC000820805743 622760356 /nfs/dbraw/zinc/76/03/56/622760356.db2.gz QUSQCCWCOCINIB-OAHLLOKOSA-N 0 3 259.349 2.844 50 0 CFAAHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000887268676 647255778 /nfs/dbraw/zinc/25/57/78/647255778.db2.gz RJMTUFHKGKGAFG-VVLHAWIVSA-N 0 3 290.451 2.898 50 0 CFAAHN CC(=O)N1CCC(CNc2ccnc3ccccc32)CC1 ZINC000110542801 647822842 /nfs/dbraw/zinc/82/28/42/647822842.db2.gz XVGSBMPPLKMDHT-UHFFFAOYSA-N 0 3 283.375 2.905 50 0 CFAAHN Cc1nc(CCC2CCN(Cc3ccccn3)CC2)no1 ZINC000675020040 775984681 /nfs/dbraw/zinc/98/46/81/775984681.db2.gz VKLUTUYHYZMZSV-UHFFFAOYSA-N 0 3 286.379 2.618 50 0 CFAAHN Cc1n[nH]c(C)c1CCCN(C)Cc1cncn1C1CC1 ZINC000299779528 778224594 /nfs/dbraw/zinc/22/45/94/778224594.db2.gz AAPBUYYUXLNHOD-UHFFFAOYSA-N 0 3 287.411 2.623 50 0 CFAAHN CC[C@@H](C(=O)NCCc1ccccc1Cl)N(C)CC ZINC000822555060 781903758 /nfs/dbraw/zinc/90/37/58/781903758.db2.gz AYOQIGLSDONSQT-AWEZNQCLSA-N 0 3 282.815 2.729 50 0 CFAAHN C[C@H](CN1CCOC2(CCOCC2)C1)c1ccc(F)cc1 ZINC000170603051 230395489 /nfs/dbraw/zinc/39/54/89/230395489.db2.gz VAZCGGGCHQUDAI-CQSZACIVSA-N 0 3 293.382 2.811 50 0 CFAAHN C[C@@H](NC[C@@]1(O)CCSC1)c1cc2ccccc2o1 ZINC000095968894 185047897 /nfs/dbraw/zinc/04/78/97/185047897.db2.gz PICXNDSKXGUIJX-ABAIWWIYSA-N 0 3 277.389 2.951 50 0 CFAAHN C[C@@H](CO)N[C@@H](C)c1ccccc1OC(F)(F)F ZINC000095968671 185048023 /nfs/dbraw/zinc/04/80/23/185048023.db2.gz ZYQHZJVPPXAIAO-IUCAKERBSA-N 0 3 263.259 2.617 50 0 CFAAHN Cc1nccn1-c1ccc([C@H](C)N[C@H]2CCOC2)cc1F ZINC000095969054 185048089 /nfs/dbraw/zinc/04/80/89/185048089.db2.gz GANPCTVYBJTDBX-FZMZJTMJSA-N 0 3 289.354 2.759 50 0 CFAAHN 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CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C)c1cccnc1 ZINC000229555710 382852186 /nfs/dbraw/zinc/85/21/86/382852186.db2.gz NRNAWPNJVANNJB-IAOVAPTHSA-N 0 3 287.407 2.618 50 0 CFAAHN CC(C)n1cc2cc(NC(=O)[C@@H]3CCCCN3)ccc2n1 ZINC000236799087 382918283 /nfs/dbraw/zinc/91/82/83/382918283.db2.gz YQUBFMYXNOSKJE-HNNXBMFYSA-N 0 3 286.379 2.698 50 0 CFAAHN O=C(c1cc(F)c(Cl)cc1Cl)N1CCCNCC1 ZINC000237908468 382973148 /nfs/dbraw/zinc/97/31/48/382973148.db2.gz XDBMWLMZHHVWQU-UHFFFAOYSA-N 0 3 291.153 2.568 50 0 CFAAHN CN1CCCC[C@@H]1CCSc1nc(=O)ccn1C1CC1 ZINC000242302077 382985404 /nfs/dbraw/zinc/98/54/04/382985404.db2.gz YPIWXGLXOPEAFO-GFCCVEGCSA-N 0 3 293.436 2.545 50 0 CFAAHN FCCCCCN1CCN(C2Cc3ccccc3C2)CC1 ZINC000244594148 382989331 /nfs/dbraw/zinc/98/93/31/382989331.db2.gz DHHDNYHWWJBPED-UHFFFAOYSA-N 0 3 290.426 2.911 50 0 CFAAHN COc1cc(C)ccc1OCCN(C)C[C@H]1CCCCO1 ZINC000244707934 382990653 /nfs/dbraw/zinc/99/06/53/382990653.db2.gz KKJASWAGHFGOMM-OAHLLOKOSA-N 0 3 293.407 2.883 50 0 CFAAHN COCCn1cncc1CN1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000244828531 382993429 /nfs/dbraw/zinc/99/34/29/382993429.db2.gz TXWMMWICRCRXEH-RHSMWYFYSA-N 0 3 291.439 2.930 50 0 CFAAHN C[C@H](N[C@H]1CCCc2c1cnn2C)[C@H]1COc2ccccc21 ZINC000245312409 382997789 /nfs/dbraw/zinc/99/77/89/382997789.db2.gz JBEYXVNBVLUBCJ-MAZHCROVSA-N 0 3 297.402 2.952 50 0 CFAAHN Clc1nc2ccccn2c1CNC[C@H]1CCCOC1 ZINC000237805342 382971329 /nfs/dbraw/zinc/97/13/29/382971329.db2.gz BTWOAQFMUPZCHR-LLVKDONJSA-N 0 3 279.771 2.504 50 0 CFAAHN CCOc1ccc([C@@H]2C[C@H]2NCc2cnn(CC)c2)cc1 ZINC000585118338 383114880 /nfs/dbraw/zinc/11/48/80/383114880.db2.gz KYORIAOIWOPDRX-DLBZAZTESA-N 0 3 285.391 2.947 50 0 CFAAHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000247370870 383168228 /nfs/dbraw/zinc/16/82/28/383168228.db2.gz RVFGTBBXFKZXKW-ZSHCYNCHSA-N 0 3 290.407 2.524 50 0 CFAAHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1CC=CC1 ZINC000248859610 383299314 /nfs/dbraw/zinc/29/93/14/383299314.db2.gz PPQZYQWXXYHCCV-RHSMWYFYSA-N 0 3 284.403 2.589 50 0 CFAAHN c1cnn(CCN2CCCC[C@H]2c2ccccn2)c1 ZINC000426398080 383399053 /nfs/dbraw/zinc/39/90/53/383399053.db2.gz RCQMBIUJAWEVOV-HNNXBMFYSA-N 0 3 256.353 2.505 50 0 CFAAHN O[C@@H]1c2ccc(-c3cccnc3)cc2OC[C@H]1N1CCCC1 ZINC000426484782 383402100 /nfs/dbraw/zinc/40/21/00/383402100.db2.gz MYGLUMSONUPJRD-SJLPKXTDSA-N 0 3 296.370 2.639 50 0 CFAAHN CC(C)(C(=O)NCc1cc2ccccc2[nH]1)N1CCCC1 ZINC000426563011 383405583 /nfs/dbraw/zinc/40/55/83/383405583.db2.gz CSXMVBDLMXXLDJ-UHFFFAOYSA-N 0 3 285.391 2.659 50 0 CFAAHN CO[C@@H]1CC[C@H]2OCCN(CCSC(C)(C)C)[C@@H]2C1 ZINC000252489476 383413119 /nfs/dbraw/zinc/41/31/19/383413119.db2.gz JRTAWNCELQBPRA-MGPQQGTHSA-N 0 3 287.469 2.786 50 0 CFAAHN Cc1ccccc1[C@@H](N[C@@H](C)C(=O)N(C)C)C1CC1 ZINC000252499419 383413968 /nfs/dbraw/zinc/41/39/68/383413968.db2.gz SAILRKHNPQLPLC-WFASDCNBSA-N 0 3 260.381 2.512 50 0 CFAAHN CN(Cc1cc(Br)no1)C1CCCC1 ZINC000253393433 383454274 /nfs/dbraw/zinc/45/42/74/383454274.db2.gz BYAIKBSAXTYDBE-UHFFFAOYSA-N 0 3 259.147 2.812 50 0 CFAAHN CC[C@H](N)C(=O)N(CCC(F)(F)F)C1CCCCC1 ZINC000253430910 383460081 /nfs/dbraw/zinc/46/00/81/383460081.db2.gz GEEQVNILXDQLRC-NSHDSACASA-N 0 3 280.334 2.837 50 0 CFAAHN Cn1cncc1CN[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000112340496 412990099 /nfs/dbraw/zinc/99/00/99/412990099.db2.gz XIKARMBRPOHWEB-QWRGUYRKSA-N 0 3 261.291 2.631 50 0 CFAAHN COC(=O)[C@H]1CCN[C@H]1c1c(Cl)cccc1Cl ZINC000057330630 291876576 /nfs/dbraw/zinc/87/65/76/291876576.db2.gz OJCNQXAYXHHTBC-WRWORJQWSA-N 0 3 274.147 2.817 50 0 CFAAHN C[C@@H](NC[C@H](O)c1ccco1)c1ccccc1N(C)C ZINC000093941915 184745036 /nfs/dbraw/zinc/74/50/36/184745036.db2.gz OBSWWRDZDPWWRZ-DOMZBBRYSA-N 0 3 274.364 2.730 50 0 CFAAHN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C[C@H]2CCCO2)C1 ZINC000245316864 131085498 /nfs/dbraw/zinc/08/54/98/131085498.db2.gz KYLMXVANZPRWHC-GDBMZVCRSA-N 0 3 291.366 2.899 50 0 CFAAHN COc1cccc(OCCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020167288 393486127 /nfs/dbraw/zinc/48/61/27/393486127.db2.gz ZSGDBSFUHNUNLB-GJZGRUSLSA-N 0 3 293.407 2.963 50 0 CFAAHN CCOC(=O)N1CCC(N(C)[C@H](C)c2ccncc2)CC1 ZINC000065465499 393631392 /nfs/dbraw/zinc/63/13/92/393631392.db2.gz MHQCTOWYDRRJSL-CYBMUJFWSA-N 0 3 291.395 2.695 50 0 CFAAHN CC[C@H]1c2ccsc2CCN1C(=O)NC[C@@H](C)N(C)C ZINC000065440459 393631878 /nfs/dbraw/zinc/63/18/78/393631878.db2.gz WIVBHDFVFRJNKY-YPMHNXCESA-N 0 3 295.452 2.717 50 0 CFAAHN C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000229413963 393776900 /nfs/dbraw/zinc/77/69/00/393776900.db2.gz UYRGXYCQDHNZCI-RBSFLKMASA-N 0 3 293.455 2.691 50 0 CFAAHN CN(C)C[C@H]1CSCCCN1C(=O)CC1CCCCC1 ZINC000090699769 393781034 /nfs/dbraw/zinc/78/10/34/393781034.db2.gz DDQYQLJJPQCUOH-HNNXBMFYSA-N 0 3 298.496 2.853 50 0 CFAAHN CCc1nn(C)cc1CN1CC[C@H](c2ccccc2OC)C1 ZINC000097033965 393840552 /nfs/dbraw/zinc/84/05/52/393840552.db2.gz ZBMXNGIZQNDQRO-AWEZNQCLSA-N 0 3 299.418 2.981 50 0 CFAAHN CN1CC[C@H]2CCN(c3ccc4ccc(F)cc4n3)[C@H]2C1 ZINC000252510650 393937319 /nfs/dbraw/zinc/93/73/19/393937319.db2.gz BBTOBVZBLRCIPD-BBRMVZONSA-N 0 3 285.366 2.904 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2.749 50 0 CFAAHN COc1ccc([C@H]2C[C@H](C)CN2CC(OC)OC)cc1 ZINC000225450594 286379473 /nfs/dbraw/zinc/37/94/73/286379473.db2.gz ORUILKNKMRCGHV-SWLSCSKDSA-N 0 3 279.380 2.697 50 0 CFAAHN O=C(NCCN1CCCC1)Nc1ccccc1Cl ZINC000004829283 170024872 /nfs/dbraw/zinc/02/48/72/170024872.db2.gz OAYSPOGPZKQLOX-UHFFFAOYSA-N 0 3 267.760 2.557 50 0 CFAAHN C[C@@H]1CCCN(CCCOc2ccc(C=O)cc2)C1 ZINC000004840930 170027765 /nfs/dbraw/zinc/02/77/65/170027765.db2.gz HMFBUSMMRGDVNG-CQSZACIVSA-N 0 3 261.365 3.000 50 0 CFAAHN C[C@H](NCc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 ZINC000004993743 170051491 /nfs/dbraw/zinc/05/14/91/170051491.db2.gz JJJSFNAYCUSJCN-ZDUSSCGKSA-N 0 3 295.386 2.728 50 0 CFAAHN N=C1SC(c2ccccc2)C(=O)N1c1nccs1 ZINC000005001308 170053048 /nfs/dbraw/zinc/05/30/48/170053048.db2.gz YPPLVSANTKEVFM-SECBINFHSA-N 0 3 275.358 2.899 50 0 CFAAHN Fc1ccccc1CSc1nnc([C@@H]2CCCN2)o1 ZINC000005500166 170105233 /nfs/dbraw/zinc/10/52/33/170105233.db2.gz LOFWHLUNKRFUDM-NSHDSACASA-N 0 3 279.340 2.926 50 0 CFAAHN 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/nfs/dbraw/zinc/87/52/24/373875224.db2.gz BOAUVDLVZBGWCN-UHFFFAOYSA-N 0 3 253.415 2.690 50 0 CFAAHN CNC(=O)C[C@H](C)N(C)Cc1ccc(-c2ccccn2)cc1 ZINC000065469268 373875484 /nfs/dbraw/zinc/87/54/84/373875484.db2.gz DEJKEIDIVKKSSE-AWEZNQCLSA-N 0 3 297.402 2.705 50 0 CFAAHN CCN(Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCCO1 ZINC000065464712 373876186 /nfs/dbraw/zinc/87/61/86/373876186.db2.gz XIAKNNSBIQCBPW-INIZCTEOSA-N 0 3 276.380 2.646 50 0 CFAAHN Cc1nc(CN)cc(N2CCC[C@H]2CCc2ccccc2)n1 ZINC000067713534 373994528 /nfs/dbraw/zinc/99/45/28/373994528.db2.gz RDJLWJGNCGGCQI-KRWDZBQOSA-N 0 3 296.418 2.845 50 0 CFAAHN C[C@H](CC1=CCCN(C)C1)NC(=O)c1ccnc(Cl)c1 ZINC000067714797 373996944 /nfs/dbraw/zinc/99/69/44/373996944.db2.gz CQIXLMKHATUZPS-LLVKDONJSA-N 0 3 293.798 2.505 50 0 CFAAHN COc1ccc2[nH]c(CN[C@@H](C)CC(C)(C)OC)nc2c1 ZINC000067847284 374009689 /nfs/dbraw/zinc/00/96/89/374009689.db2.gz FXVJRJICQYZVCG-NSHDSACASA-N 0 3 291.395 2.865 50 0 CFAAHN Cc1ccccc1CNC(=O)[C@@H](C)N(C)CC(C)C ZINC000068334713 374027601 /nfs/dbraw/zinc/02/76/01/374027601.db2.gz YOSSTSFTHMUXQW-CQSZACIVSA-N 0 3 262.397 2.588 50 0 CFAAHN COc1cccc(CN2CCC[C@@H]2Cn2cccn2)c1 ZINC000069629898 374080510 /nfs/dbraw/zinc/08/05/10/374080510.db2.gz BTVPTPOERREMAG-OAHLLOKOSA-N 0 3 271.364 2.556 50 0 CFAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(F)c1F ZINC000069620810 374081288 /nfs/dbraw/zinc/08/12/88/374081288.db2.gz XLXLCEMQXVMLKW-KBPBESRZSA-N 0 3 294.345 2.664 50 0 CFAAHN Cc1ccccc1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000069052743 374045772 /nfs/dbraw/zinc/04/57/72/374045772.db2.gz KBHZMKAHAIRRIO-UHFFFAOYSA-N 0 3 266.344 2.893 50 0 CFAAHN CCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)o1 ZINC000069455520 374065881 /nfs/dbraw/zinc/06/58/81/374065881.db2.gz RCZGJLQXXAMNCH-ZIAGYGMSSA-N 0 3 276.380 2.541 50 0 CFAAHN Cc1cnn([C@@H](C)[C@H](C)NCc2c[nH]nc2C(C)(C)C)c1 ZINC000069454092 374066618 /nfs/dbraw/zinc/06/66/18/374066618.db2.gz ZUNKISPTOVBZNX-STQMWFEESA-N 0 3 289.427 2.951 50 0 CFAAHN CCn1nc(C)c(CN[C@H](C)[C@H](C)n2cc(C)cn2)c1C ZINC000069511627 374070327 /nfs/dbraw/zinc/07/03/27/374070327.db2.gz JRGJRRPPLOPTEZ-OCCSQVGLSA-N 0 3 289.427 2.764 50 0 CFAAHN Fc1ccccc1CN1CCCN(Cc2cccnc2)CC1 ZINC000069568175 374075395 /nfs/dbraw/zinc/07/53/95/374075395.db2.gz KGILEXLNZUYNTH-UHFFFAOYSA-N 0 3 299.393 2.929 50 0 CFAAHN CC[C@@H]1CN(C/C=C/c2ccccc2)CCN1CCOC ZINC000069738357 374091855 /nfs/dbraw/zinc/09/18/55/374091855.db2.gz FZFZXVGZUCIDDD-RUJXFNLJSA-N 0 3 288.435 2.742 50 0 CFAAHN CN(Cc1ccccc1C(F)(F)F)C[C@H]1CCOCO1 ZINC000069779535 374095991 /nfs/dbraw/zinc/09/59/91/374095991.db2.gz XXCLXKKQYXNWTI-GFCCVEGCSA-N 0 3 289.297 2.900 50 0 CFAAHN OC[C@H]1CCCN1Cc1c(Cl)ccc2cccnc21 ZINC000069811580 374100411 /nfs/dbraw/zinc/10/04/11/374100411.db2.gz ZNWHWHAHZPGNJH-GFCCVEGCSA-N 0 3 276.767 2.845 50 0 CFAAHN O=C(NCC1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000070928283 374205226 /nfs/dbraw/zinc/20/52/26/374205226.db2.gz YLXUILJUVKZVLC-UHFFFAOYSA-N 0 3 287.407 2.604 50 0 CFAAHN Cc1ccc(N[C@H]2CCCN(CCc3ccccc3)C2)nn1 ZINC000072429910 374252063 /nfs/dbraw/zinc/25/20/63/374252063.db2.gz QFOVRFJAXWGLED-KRWDZBQOSA-N 0 3 296.418 2.904 50 0 CFAAHN CS[C@@H](C)CCN1CCN(c2ncccc2C)CC1 ZINC000072140458 374233984 /nfs/dbraw/zinc/23/39/84/374233984.db2.gz FQMFHFAHKFUWDD-AWEZNQCLSA-N 0 3 279.453 2.654 50 0 CFAAHN CN(C)C[C@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 ZINC000075105555 374458068 /nfs/dbraw/zinc/45/80/68/374458068.db2.gz QFUMQLVSPLYYEZ-OAHLLOKOSA-N 0 3 294.826 2.825 50 0 CFAAHN CN(CCc1ccncc1)CCN(C)c1ccccc1 ZINC000083861130 374759617 /nfs/dbraw/zinc/75/96/17/374759617.db2.gz DUFCKFOKCZNHLW-UHFFFAOYSA-N 0 3 269.392 2.692 50 0 CFAAHN Cc1noc(CCN[C@H]2CCCOc3ccc(F)cc32)n1 ZINC000089518496 374918727 /nfs/dbraw/zinc/91/87/27/374918727.db2.gz GJBPIHZLUYYNAP-ZDUSSCGKSA-N 0 3 291.326 2.563 50 0 CFAAHN Clc1ccc(SCCN2CCCCC2)nn1 ZINC000089794329 374952751 /nfs/dbraw/zinc/95/27/51/374952751.db2.gz RQTZERGMTDGMMD-UHFFFAOYSA-N 0 3 257.790 2.708 50 0 CFAAHN OCCN[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000089827863 374957737 /nfs/dbraw/zinc/95/77/37/374957737.db2.gz GTHKWVVCHKRPAG-WBVHZDCISA-N 0 3 269.344 2.833 50 0 CFAAHN CC[C@H](Cc1ccccc1)N(C)Cc1oc(=O)oc1C ZINC000089943661 374975103 /nfs/dbraw/zinc/97/51/03/374975103.db2.gz YFMGIKOONDQLQV-CQSZACIVSA-N 0 3 275.348 2.994 50 0 CFAAHN CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NCc1cscn1 ZINC000089949181 374977024 /nfs/dbraw/zinc/97/70/24/374977024.db2.gz XFCOWRICAXPIIR-TZMCWYRMSA-N 0 3 295.452 2.516 50 0 CFAAHN Cc1ccc2c(c1)[C@H](NCCn1cnnc1C1CC1)CC2 ZINC000090032486 374986890 /nfs/dbraw/zinc/98/68/90/374986890.db2.gz RXBGXYCGIVQORK-MRXNPFEDSA-N 0 3 282.391 2.741 50 0 CFAAHN Cc1nc(CN[C@H](C)[C@H](c2ccccc2)N(C)C)[nH]c1C ZINC000571582472 383707474 /nfs/dbraw/zinc/70/74/74/383707474.db2.gz RXBOEUSTQFMURB-RHSMWYFYSA-N 0 3 286.423 2.808 50 0 CFAAHN C[C@@H](NC[C@@H](O)c1ccco1)c1ccccc1N(C)C ZINC000093941917 375332696 /nfs/dbraw/zinc/33/26/96/375332696.db2.gz OBSWWRDZDPWWRZ-IUODEOHRSA-N 0 3 274.364 2.730 50 0 CFAAHN C[C@@H](CNCc1ccc(F)cc1)Oc1ccccn1 ZINC000095472033 375459338 /nfs/dbraw/zinc/45/93/38/375459338.db2.gz JOHQVHLJMWUVMK-LBPRGKRZSA-N 0 3 260.312 2.778 50 0 CFAAHN C[C@H](NCc1ncccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000095988359 375464748 /nfs/dbraw/zinc/46/47/48/375464748.db2.gz HJWKJFRDUPEVBO-VHSXEESVSA-N 0 3 274.286 2.615 50 0 CFAAHN Fc1ccc([C@@H]2OCC[C@H]2NCc2ccncc2)cc1F ZINC000095988561 375467183 /nfs/dbraw/zinc/46/71/83/375467183.db2.gz CQYONVVBGGXDLY-CVEARBPZSA-N 0 3 290.313 2.980 50 0 CFAAHN Fc1ccc([C@H]2OCC[C@@H]2NCc2ccncc2)cc1F ZINC000095988562 375467381 /nfs/dbraw/zinc/46/73/81/375467381.db2.gz CQYONVVBGGXDLY-JKSUJKDBSA-N 0 3 290.313 2.980 50 0 CFAAHN COc1cccc(CNCc2cccnc2-n2cccn2)c1 ZINC000095350106 375418154 /nfs/dbraw/zinc/41/81/54/375418154.db2.gz DGPLECBJPLJBHL-UHFFFAOYSA-N 0 3 294.358 2.566 50 0 CFAAHN CN1CCCC[C@@H]1CCn1c(=O)ccc2ccccc21 ZINC000095378634 375425388 /nfs/dbraw/zinc/42/53/88/375425388.db2.gz JJJVAGXTCZXELK-OAHLLOKOSA-N 0 3 270.376 2.876 50 0 CFAAHN OCCCCCN1CCS[C@H](c2ccccc2)C1 ZINC000095398403 375431363 /nfs/dbraw/zinc/43/13/63/375431363.db2.gz NYVXIFSNACKSHH-HNNXBMFYSA-N 0 3 265.422 2.939 50 0 CFAAHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1occc1C ZINC000095402521 375432287 /nfs/dbraw/zinc/43/22/87/375432287.db2.gz KARGBLSOTYVYDV-HIFRSBDPSA-N 0 3 290.407 2.715 50 0 CFAAHN CCC(=O)N1CC[C@@H](Nc2ccnc3ccccc32)C1 ZINC000095416597 375437580 /nfs/dbraw/zinc/43/75/80/375437580.db2.gz IAJAMMGDRGYYKX-GFCCVEGCSA-N 0 3 269.348 2.658 50 0 CFAAHN COc1ccc(Cl)cc1[C@@H](C)N[C@H](C)Cn1cncn1 ZINC000095421208 375440694 /nfs/dbraw/zinc/44/06/94/375440694.db2.gz KKKMTANBOGKWRZ-GHMZBOCLSA-N 0 3 294.786 2.679 50 0 CFAAHN COC[C@@H](O)CN[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000095431524 375447008 /nfs/dbraw/zinc/44/70/08/375447008.db2.gz ROESRNKXLRAXBL-ZWKOTPCHSA-N 0 3 285.387 2.681 50 0 CFAAHN Cn1cc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)cn1 ZINC000095435732 375447874 /nfs/dbraw/zinc/44/78/74/375447874.db2.gz MSEPEFDNJIFKIB-PBHICJAKSA-N 0 3 285.391 2.678 50 0 CFAAHN Cn1cc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cn1 ZINC000095435730 375448139 /nfs/dbraw/zinc/44/81/39/375448139.db2.gz MSEPEFDNJIFKIB-YOEHRIQHSA-N 0 3 285.391 2.678 50 0 CFAAHN OCC[C@H](NCc1cscn1)C1CCCCC1 ZINC000095448787 375453558 /nfs/dbraw/zinc/45/35/58/375453558.db2.gz UMWYFPMUMAHSPX-ZDUSSCGKSA-N 0 3 254.399 2.564 50 0 CFAAHN COc1ccnc(NC2CCN(c3ccccn3)CC2)c1 ZINC000097038791 375498654 /nfs/dbraw/zinc/49/86/54/375498654.db2.gz LESIBUUREHXFCL-UHFFFAOYSA-N 0 3 284.363 2.566 50 0 CFAAHN CN(C)Cc1cccc(NC(=O)/C=C\c2ccncc2)c1 ZINC000097051306 375504091 /nfs/dbraw/zinc/50/40/91/375504091.db2.gz USQNYTDDZGMWPK-SREVYHEPSA-N 0 3 281.359 2.795 50 0 CFAAHN COC[C@H]1CCCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000097099669 375516922 /nfs/dbraw/zinc/51/69/22/375516922.db2.gz JNRQQBRGVOMEQV-HNNXBMFYSA-N 0 3 275.392 2.926 50 0 CFAAHN CC(C)n1nnnc1CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000097103599 375517922 /nfs/dbraw/zinc/51/79/22/375517922.db2.gz FCRCDAIKMQHXOG-LSDHHAIUSA-N 0 3 285.395 2.680 50 0 CFAAHN CCn1c(CN[C@H](C)[C@H]2CCCO2)nc2c1cccc2F ZINC000097111591 375522538 /nfs/dbraw/zinc/52/25/38/375522538.db2.gz XXLDGPYHDKWZDD-BXUZGUMPSA-N 0 3 291.370 2.852 50 0 CFAAHN Cc1csc([C@H](C)NCCN2CCCCC2)n1 ZINC000097112095 375523320 /nfs/dbraw/zinc/52/33/20/375523320.db2.gz CODHXCJBJNUYKR-LBPRGKRZSA-N 0 3 253.415 2.588 50 0 CFAAHN Cc1nccn1CC1CCN(Cc2cccc(C)n2)CC1 ZINC000097360288 375551675 /nfs/dbraw/zinc/55/16/75/375551675.db2.gz NKIRCAVETPLLPG-UHFFFAOYSA-N 0 3 284.407 2.807 50 0 CFAAHN C[C@H](Cc1cnccn1)N(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000097522166 375568425 /nfs/dbraw/zinc/56/84/25/375568425.db2.gz DNYYHRAJWWCATQ-GFCCVEGCSA-N 0 3 297.362 2.523 50 0 CFAAHN Nc1[nH]n(-c2ccccc2)c(=O)c1C1=NCCCCC1 ZINC000100429712 375622160 /nfs/dbraw/zinc/62/21/60/375622160.db2.gz SNCNCHGIMYBXFO-UHFFFAOYSA-N 0 3 270.336 2.523 50 0 CFAAHN O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1CN1CCCC1 ZINC000071834719 284627560 /nfs/dbraw/zinc/62/75/60/284627560.db2.gz IAAUYIHTWYUVRY-OAHLLOKOSA-N 0 3 297.402 2.868 50 0 CFAAHN C[C@H](Cn1ncc2ccccc2c1=O)NCc1ccccc1 ZINC000131585388 377733319 /nfs/dbraw/zinc/73/33/19/377733319.db2.gz RQYXHKNRDWQPMJ-CQSZACIVSA-N 0 3 293.370 2.575 50 0 CFAAHN CC[C@H](NC[C@H](C)[S@](C)=O)c1ccccc1F ZINC000166179271 379053039 /nfs/dbraw/zinc/05/30/39/379053039.db2.gz RUVLDPYXCXHSNK-SIMVJXQJSA-N 0 3 257.374 2.633 50 0 CFAAHN Cc1nc2ccccc2c(N2CC[C@@H](CC(N)=O)C2)c1C ZINC000367927238 380857565 /nfs/dbraw/zinc/85/75/65/380857565.db2.gz NSYOYBVJFSTQKB-ZDUSSCGKSA-N 0 3 283.375 2.553 50 0 CFAAHN CC[C@@H](C)CC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000189966759 382647663 /nfs/dbraw/zinc/64/76/63/382647663.db2.gz USTRWZRJTUKRKV-CQSZACIVSA-N 0 3 289.423 2.850 50 0 CFAAHN CCc1nccn1[C@@H]1CCCN(C[C@@H]2CCC=CO2)C1 ZINC000193916467 382729590 /nfs/dbraw/zinc/72/95/90/382729590.db2.gz GREDNBBARQQPKF-CABCVRRESA-N 0 3 275.396 2.775 50 0 CFAAHN CC(C)NC(=O)C[C@@H](C)NCc1cccc(Cl)c1F ZINC000195539397 382769396 /nfs/dbraw/zinc/76/93/96/382769396.db2.gz ITBAJOXNODVGLO-SNVBAGLBSA-N 0 3 286.778 2.872 50 0 CFAAHN OCC[C@H]1CCCCN1Cc1cc2ccccc2[nH]1 ZINC000215472332 382779207 /nfs/dbraw/zinc/77/92/07/382779207.db2.gz HXHZGTPTGKIIMJ-OAHLLOKOSA-N 0 3 258.365 2.905 50 0 CFAAHN CCOc1ccc(CN(C)CCc2ccncc2)cn1 ZINC000216290921 382783004 /nfs/dbraw/zinc/78/30/04/382783004.db2.gz MHCJKBYBNBUPOM-UHFFFAOYSA-N 0 3 271.364 2.550 50 0 CFAAHN Cc1nc(-c2cccnc2)sc1[C@H](C)NCCCO ZINC000225478962 382816603 /nfs/dbraw/zinc/81/66/03/382816603.db2.gz UYDQDWPTBIRSSI-JTQLQIEISA-N 0 3 277.393 2.547 50 0 CFAAHN Cc1cc(N)nc(NCCc2ccc(Cl)cc2)n1 ZINC000225559964 382818206 /nfs/dbraw/zinc/81/82/06/382818206.db2.gz IKWRXGBERQOZOK-UHFFFAOYSA-N 0 3 262.744 2.675 50 0 CFAAHN C[C@@H](c1ccccn1)N1CCN(C[C@H]2CCSC2)CC1 ZINC000225625375 382819490 /nfs/dbraw/zinc/81/94/90/382819490.db2.gz RUZBAPVPOBSOHI-LSDHHAIUSA-N 0 3 291.464 2.513 50 0 CFAAHN CN(C)c1nc(CN[C@H]2CCCC23CCOCC3)cs1 ZINC000225733365 382821053 /nfs/dbraw/zinc/82/10/53/382821053.db2.gz TWZVWPNFPSBKED-ZDUSSCGKSA-N 0 3 295.452 2.648 50 0 CFAAHN CO[C@H](CN1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000225785869 382821416 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Fc1cccc(F)c1CNC[C@H]1NCCc2ccccc21 ZINC000020528359 372240083 /nfs/dbraw/zinc/24/00/83/372240083.db2.gz ZDCBMSZQSYNMDO-QGZVFWFLSA-N 0 3 288.341 2.941 50 0 CFAAHN c1cn(CC[C@H]2CCCCN2Cc2[nH]nc3c2CCC3)cn1 ZINC000019792495 372187600 /nfs/dbraw/zinc/18/76/00/372187600.db2.gz HLAANPUVHKRVHS-CQSZACIVSA-N 0 3 299.422 2.540 50 0 CFAAHN c1cn(CC[C@H]2CCCCN2Cc2n[nH]c3c2CCC3)cn1 ZINC000019792495 372187602 /nfs/dbraw/zinc/18/76/02/372187602.db2.gz HLAANPUVHKRVHS-CQSZACIVSA-N 0 3 299.422 2.540 50 0 CFAAHN COc1cc(CN[C@H]2COc3ccccc3C2)ccc1F ZINC000019842183 372197620 /nfs/dbraw/zinc/19/76/20/372197620.db2.gz DMDPMFPSVJGRBG-CQSZACIVSA-N 0 3 287.334 2.928 50 0 CFAAHN COc1ccc(C[C@H](C)N2CCSCC2)cc1OC ZINC000023282583 372258897 /nfs/dbraw/zinc/25/88/97/372258897.db2.gz LXMGNIOMQUZFBD-LBPRGKRZSA-N 0 3 281.421 2.684 50 0 CFAAHN COc1ccccc1CNC1Cc2ccccc2C1 ZINC000023282824 372259131 /nfs/dbraw/zinc/25/91/31/372259131.db2.gz LYSAOPJZPTYNQY-UHFFFAOYSA-N 0 3 253.345 2.952 50 0 CFAAHN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)NCCN(C)C ZINC000025763856 372307037 /nfs/dbraw/zinc/30/70/37/372307037.db2.gz YRYHZTDMVWWJPM-KBPBESRZSA-N 0 3 291.439 2.678 50 0 CFAAHN NC(=O)[C@@H](NCCCCc1ccccc1)c1ccccc1 ZINC000026225670 372315674 /nfs/dbraw/zinc/31/56/74/372315674.db2.gz XQXHAWHLJPEDBX-KRWDZBQOSA-N 0 3 282.387 2.826 50 0 CFAAHN C[C@@H](N(C)Cc1cc(=O)n2ccccc2n1)C(C)(C)C ZINC000027135910 372335462 /nfs/dbraw/zinc/33/54/62/372335462.db2.gz JHSZWRDTJSJBSP-GFCCVEGCSA-N 0 3 273.380 2.561 50 0 CFAAHN Cn1cc(C(=O)Nc2cccc(CN3CCCCC3)c2)cn1 ZINC000031620580 372414424 /nfs/dbraw/zinc/41/44/24/372414424.db2.gz FTHMUVONHUMXSJ-UHFFFAOYSA-N 0 3 298.390 2.658 50 0 CFAAHN CCc1cc(C(=O)N(C)C2CCN(C)CC2)sc1C ZINC000033019467 372480881 /nfs/dbraw/zinc/48/08/81/372480881.db2.gz FFYNPNTYDUMCMZ-UHFFFAOYSA-N 0 3 280.437 2.785 50 0 CFAAHN CN1CC[C@@H](c2nc(CCCc3ccccc3)no2)C1 ZINC000032500606 372441570 /nfs/dbraw/zinc/44/15/70/372441570.db2.gz PNABFEJJPYBPHV-CQSZACIVSA-N 0 3 271.364 2.664 50 0 CFAAHN CCN1CCC[C@@H](c2nnc3c(C(F)(F)F)cccn32)C1 ZINC000032561070 372445109 /nfs/dbraw/zinc/44/51/09/372445109.db2.gz KMHSCZZWZDNBJR-SNVBAGLBSA-N 0 3 298.312 2.947 50 0 CFAAHN CCC(C)(C)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000032679664 372453256 /nfs/dbraw/zinc/45/32/56/372453256.db2.gz RQNQAAUQZLYTAY-UHFFFAOYSA-N 0 3 256.296 2.682 50 0 CFAAHN CCc1sc(C(=O)N(C)C2CCN(C)CC2)cc1C ZINC000032721842 372455970 /nfs/dbraw/zinc/45/59/70/372455970.db2.gz QXDUJWAYKOLFII-UHFFFAOYSA-N 0 3 280.437 2.785 50 0 CFAAHN C[C@H](CNC(=O)c1c(F)cccc1Cl)N1CCCC1 ZINC000036077101 372556426 /nfs/dbraw/zinc/55/64/26/372556426.db2.gz BLFATNVYNIJBKI-SNVBAGLBSA-N 0 3 284.762 2.693 50 0 CFAAHN CCOCCNCc1cccc(Br)c1 ZINC000036228593 372568440 /nfs/dbraw/zinc/56/84/40/372568440.db2.gz HNENKQTWRXWWIB-UHFFFAOYSA-N 0 3 258.159 2.575 50 0 CFAAHN C[C@@H](CNC(=S)NCc1ccco1)N1CCCC[C@@H]1C ZINC000036847510 372602811 /nfs/dbraw/zinc/60/28/11/372602811.db2.gz TUUOODZZSKLVRS-STQMWFEESA-N 0 3 295.452 2.507 50 0 CFAAHN CC[C@@H](N)C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000037041372 372641939 /nfs/dbraw/zinc/64/19/39/372641939.db2.gz BTIPUAZRSCRWLS-SNVBAGLBSA-N 0 3 261.325 2.627 50 0 CFAAHN O[C@H](CNCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000037856543 372726521 /nfs/dbraw/zinc/72/65/21/372726521.db2.gz LCVNAACIDJZOBJ-OAHLLOKOSA-N 0 3 263.287 2.788 50 0 CFAAHN CC[C@@H]1CCCN(CCn2c3ccccc3oc2=O)C1 ZINC000042145741 372877817 /nfs/dbraw/zinc/87/78/17/372877817.db2.gz OXBASCVPQQSIIY-CYBMUJFWSA-N 0 3 274.364 2.717 50 0 CFAAHN CCc1ccc2ncn(CC[C@H]3CCCCN3C)c(=O)c2c1 ZINC000042948920 372967791 /nfs/dbraw/zinc/96/77/91/372967791.db2.gz ZBHMKFXPOKPKDO-OAHLLOKOSA-N 0 3 299.418 2.833 50 0 CFAAHN C[C@@H]1CCCN(CCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000046877983 373065799 /nfs/dbraw/zinc/06/57/99/373065799.db2.gz FAFRATKLBMKXHJ-LLVKDONJSA-N 0 3 298.789 2.941 50 0 CFAAHN Cc1cc(C)cc(CN2CCC3(CC2)OCCO3)c1 ZINC000047496771 373098386 /nfs/dbraw/zinc/09/83/86/373098386.db2.gz TXWRFMLBVBXHIG-UHFFFAOYSA-N 0 3 261.365 2.642 50 0 CFAAHN Cc1cccc(OC[C@@H](O)CN(C)CCc2ccccc2)c1 ZINC000051404533 373395192 /nfs/dbraw/zinc/39/51/92/373395192.db2.gz CVZJNEOLZPGNGH-SFHVURJKSA-N 0 3 299.414 2.909 50 0 CFAAHN c1ccc2c(c1)C[C@H](CNCc1cccc3c1OCCO3)O2 ZINC000054039494 373493436 /nfs/dbraw/zinc/49/34/36/373493436.db2.gz RMPMJFLPLGBXAK-OAHLLOKOSA-N 0 3 297.354 2.551 50 0 CFAAHN CN1CCC(NC(=O)CCc2ccc(Cl)s2)CC1 ZINC000054148079 373499711 /nfs/dbraw/zinc/49/97/11/373499711.db2.gz NJNMRRMTUABSHP-UHFFFAOYSA-N 0 3 286.828 2.545 50 0 CFAAHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccncc2)C1 ZINC000054226571 373506039 /nfs/dbraw/zinc/50/60/39/373506039.db2.gz MTLOBGZEUWKBSA-PBHICJAKSA-N 0 3 295.386 2.647 50 0 CFAAHN Cn1cc(CNCc2cccnc2)c2ccccc21 ZINC000057353179 373589749 /nfs/dbraw/zinc/58/97/49/373589749.db2.gz KWRPNCAYCMRBIJ-UHFFFAOYSA-N 0 3 251.333 2.863 50 0 CFAAHN COC(=O)CCN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000055386393 373550361 /nfs/dbraw/zinc/55/03/61/373550361.db2.gz FCMRSXJSJCWTEJ-UHFFFAOYSA-N 0 3 291.269 2.580 50 0 CFAAHN C[C@H](CNC(=O)/C=C/c1ccc(F)cc1)N1CCCCC1 ZINC000055932988 373560205 /nfs/dbraw/zinc/56/02/05/373560205.db2.gz WYSGDZHJTJOBLT-DNGMOHDESA-N 0 3 290.382 2.830 50 0 CFAAHN CCN(CCNC(=O)Nc1ccc(F)cc1F)C1CC1 ZINC000058268347 373638374 /nfs/dbraw/zinc/63/83/74/373638374.db2.gz KKKDTSPJUJNIIE-UHFFFAOYSA-N 0 3 283.322 2.571 50 0 CFAAHN O=C(N[C@@H]1CCN2CCC[C@H]12)c1occc1-c1ccccc1 ZINC000058369319 373650780 /nfs/dbraw/zinc/65/07/80/373650780.db2.gz CIMMISOHPHCQOA-HZPDHXFCSA-N 0 3 296.370 2.913 50 0 CFAAHN Cc1ccc(N)cc1CN1CCN(c2ccccc2)CC1 ZINC000057579358 373602483 /nfs/dbraw/zinc/60/24/83/373602483.db2.gz DCFUOYUVDZJCGK-UHFFFAOYSA-N 0 3 281.403 2.899 50 0 CFAAHN Cc1n[nH]cc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000065539181 373884841 /nfs/dbraw/zinc/88/48/41/373884841.db2.gz QMWSHWXZSAGCFC-QGZVFWFLSA-N 0 3 299.374 2.730 50 0 CFAAHN CC(C)=CCN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000065592645 373890831 /nfs/dbraw/zinc/89/08/31/373890831.db2.gz DNOMOHLASPKRSK-UHFFFAOYSA-N 0 3 290.382 2.986 50 0 CFAAHN C[C@H](CNC(=O)c1ccccc1Oc1cccnc1)N(C)C ZINC000065626813 373897949 /nfs/dbraw/zinc/89/79/49/373897949.db2.gz NQMBLNRYRHOHOX-CYBMUJFWSA-N 0 3 299.374 2.554 50 0 CFAAHN O=C1CCCN1C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000065393731 373864938 /nfs/dbraw/zinc/86/49/38/373864938.db2.gz DUHZSUYMXZBYSH-INIZCTEOSA-N 0 3 272.392 2.521 50 0 CFAAHN Cc1cccnc1C[C@H](C)N(C)Cc1ccc(CO)o1 ZINC000065408415 373868269 /nfs/dbraw/zinc/86/82/69/373868269.db2.gz NCAUHPLWAQDLGM-ZDUSSCGKSA-N 0 3 274.364 2.538 50 0 CFAAHN CC(C)CN(C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000065962063 373906706 /nfs/dbraw/zinc/90/67/06/373906706.db2.gz GNOOCJVMEQNCRO-LBPRGKRZSA-N 0 3 282.815 2.933 50 0 CFAAHN CCOc1ccc(-c2ccc(C(N)=O)cc2)cc1CNC ZINC000067770577 373999417 /nfs/dbraw/zinc/99/94/17/373999417.db2.gz YPNMGVKDSWQXFO-UHFFFAOYSA-N 0 3 284.359 2.571 50 0 CFAAHN CN(CCCn1cccn1)Cc1ccc2cccc(O)c2n1 ZINC000067804680 374003988 /nfs/dbraw/zinc/00/39/88/374003988.db2.gz OZFDMZPEVFBZKQ-UHFFFAOYSA-N 0 3 296.374 2.659 50 0 CFAAHN C/C(=C\c1ccccc1)CN1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000067489599 373981202 /nfs/dbraw/zinc/98/12/02/373981202.db2.gz MKSJZDQMAGVAKO-KPJVXMDVSA-N 0 3 284.403 2.785 50 0 CFAAHN CC(C)(C)c1cc(CN2CC[C@@]3(O)CCCC[C@H]3C2)n[nH]1 ZINC000067641417 373987359 /nfs/dbraw/zinc/98/73/59/373987359.db2.gz RGQHJGUFPXSRRV-GUYCJALGSA-N 0 3 291.439 2.834 50 0 CFAAHN Cc1nc([C@@H]2C=CCN2)n(-c2ccc(Cl)cc2C)n1 ZINC000067676039 373992075 /nfs/dbraw/zinc/99/20/75/373992075.db2.gz GETSAYXWDGMBJP-LBPRGKRZSA-N 0 3 274.755 2.738 50 0 CFAAHN CNCc1cc(-c2ccc3c(c2)OCO3)ccc1OC ZINC000067689274 373992442 /nfs/dbraw/zinc/99/24/42/373992442.db2.gz XXEFNFSDXJPSBX-UHFFFAOYSA-N 0 3 271.316 2.810 50 0 CFAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000069599063 374078092 /nfs/dbraw/zinc/07/80/92/374078092.db2.gz YMQDHCHTEKPRHO-GJZGRUSLSA-N 0 3 276.355 2.525 50 0 CFAAHN CCc1noc([C@H](C)N2CCN(CC3CCCC3)CC2)n1 ZINC000069626580 374080597 /nfs/dbraw/zinc/08/05/97/374080597.db2.gz JVTCKFNMWBRWAR-ZDUSSCGKSA-N 0 3 292.427 2.501 50 0 CFAAHN COc1ccc(CN[C@@H](C)[C@H](C)n2cccn2)cc1 ZINC000069368921 374056091 /nfs/dbraw/zinc/05/60/91/374056091.db2.gz RPJRKXDJOATQPW-STQMWFEESA-N 0 3 259.353 2.631 50 0 CFAAHN Cc1ccc([C@@H](C)NC(=O)C23CCCN2CCC3)cc1 ZINC000289515842 197386047 /nfs/dbraw/zinc/38/60/47/197386047.db2.gz RFJDASQSZBADEU-CQSZACIVSA-N 0 3 272.392 2.801 50 0 CFAAHN CCCN1CCN(CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000069444071 374063799 /nfs/dbraw/zinc/06/37/99/374063799.db2.gz QNDQEEMTZVADMC-HZPDHXFCSA-N 0 3 268.445 2.609 50 0 CFAAHN CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnc(C)s1 ZINC000069491725 374067994 /nfs/dbraw/zinc/06/79/94/374067994.db2.gz MDALECPGBHVTDH-STQMWFEESA-N 0 3 293.436 2.540 50 0 CFAAHN Cc1cnn(C[C@@H](C)NCc2ccc(-n3ccnc3)cc2)c1 ZINC000069489710 374068193 /nfs/dbraw/zinc/06/81/93/374068193.db2.gz BVUAYAMTVMHDBY-OAHLLOKOSA-N 0 3 295.390 2.556 50 0 CFAAHN Cc1cnn([C@@H](C)[C@H](C)NCc2cnc(C)s2)c1 ZINC000069490457 374068336 /nfs/dbraw/zinc/06/83/36/374068336.db2.gz SWPJXDDMERFLIX-QWRGUYRKSA-N 0 3 264.398 2.696 50 0 CFAAHN Cc1cnn(C[C@H](C)NCc2ccc(-n3ccnc3)cc2)c1 ZINC000069489711 374068683 /nfs/dbraw/zinc/06/86/83/374068683.db2.gz BVUAYAMTVMHDBY-HNNXBMFYSA-N 0 3 295.390 2.556 50 0 CFAAHN CCCN1CCN(CCCOCCc2ccccc2)CC1 ZINC000069530402 374072775 /nfs/dbraw/zinc/07/27/75/374072775.db2.gz DPYQWWYWHYYSIU-UHFFFAOYSA-N 0 3 290.451 2.663 50 0 CFAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000069571154 374075094 /nfs/dbraw/zinc/07/50/94/374075094.db2.gz SBPSTKIOKIZLLH-SJORKVTESA-N 0 3 297.402 2.867 50 0 CFAAHN C[C@@H](NCCc1c[nH]c2ccccc12)c1nccn1C ZINC000070443517 374175505 /nfs/dbraw/zinc/17/55/05/374175505.db2.gz PDCXDFPEHGMFEV-GFCCVEGCSA-N 0 3 268.364 2.795 50 0 CFAAHN C[C@H](CCc1ccccc1)NCc1nnc2n1CCCC2 ZINC000076046775 374524869 /nfs/dbraw/zinc/52/48/69/374524869.db2.gz BKLPCYAOHQQJIT-CQSZACIVSA-N 0 3 284.407 2.725 50 0 CFAAHN Cc1cc([C@@H]2CCCN(Cc3cnc(C)s3)C2)n[nH]1 ZINC000078901092 374572899 /nfs/dbraw/zinc/57/28/99/374572899.db2.gz PEMWUDUHIGUEDP-GFCCVEGCSA-N 0 3 276.409 2.863 50 0 CFAAHN Cc1cc([C@@H]2CCCN(Cc3cnc(C)s3)C2)[nH]n1 ZINC000078901092 374572908 /nfs/dbraw/zinc/57/29/08/374572908.db2.gz PEMWUDUHIGUEDP-GFCCVEGCSA-N 0 3 276.409 2.863 50 0 CFAAHN Cc1[nH]ccc1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000084282465 374774797 /nfs/dbraw/zinc/77/47/97/374774797.db2.gz JCQDOBDZPORWCF-UHFFFAOYSA-N 0 3 291.420 2.589 50 0 CFAAHN COCCN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089414129 374901780 /nfs/dbraw/zinc/90/17/80/374901780.db2.gz CPSHEBLSJFEOOB-UHFFFAOYSA-N 0 3 256.349 2.903 50 0 CFAAHN COC(=O)c1oc([C@H](C)N(C)C[C@@H]2CCC[C@@H]2O)cc1C ZINC000089266718 374893357 /nfs/dbraw/zinc/89/33/57/374893357.db2.gz SZIOYUUQRMSDON-AVGNSLFASA-N 0 3 295.379 2.528 50 0 CFAAHN Cn1cccc1CN[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000088755545 374862485 /nfs/dbraw/zinc/86/24/85/374862485.db2.gz IQJXXFJJBALYFR-LBPRGKRZSA-N 0 3 291.345 2.672 50 0 CFAAHN CCOCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000089986969 374982062 /nfs/dbraw/zinc/98/20/62/374982062.db2.gz RCLUCUFEBNXVQR-UHFFFAOYSA-N 0 3 271.364 2.689 50 0 CFAAHN Cc1ccc2c(c1)[C@@H](NCCn1cnnc1C1CC1)CC2 ZINC000090032489 374986120 /nfs/dbraw/zinc/98/61/20/374986120.db2.gz RXBGXYCGIVQORK-INIZCTEOSA-N 0 3 282.391 2.741 50 0 CFAAHN Cc1nc(N)cc(N2CCc3c(Cl)cccc3C2)n1 ZINC000092046260 375083376 /nfs/dbraw/zinc/08/33/76/375083376.db2.gz RSIAQIWGRJGBCY-UHFFFAOYSA-N 0 3 274.755 2.583 50 0 CFAAHN NC(=O)CC[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000092660453 375137253 /nfs/dbraw/zinc/13/72/53/375137253.db2.gz ZCCXGUJHQOOWDA-BQTXGFLSSA-N 0 3 290.382 2.816 50 0 CFAAHN Cc1ncc(CN(C)C[C@H]2CCOC2)n1-c1ccccc1 ZINC000093840000 375320876 /nfs/dbraw/zinc/32/08/76/375320876.db2.gz HRGDNIINBHVTOU-OAHLLOKOSA-N 0 3 285.391 2.649 50 0 CFAAHN Cc1nn(C)c2nc(NCC[C@H]3CCCCN3C)sc12 ZINC000095501072 375460692 /nfs/dbraw/zinc/46/06/92/375460692.db2.gz GHJQTAMNOKJFCJ-LLVKDONJSA-N 0 3 293.440 2.625 50 0 CFAAHN CC[C@@H]1CN(c2ccnc(C)c2Cl)CCN1CCOC ZINC000096003760 375466588 /nfs/dbraw/zinc/46/65/88/375466588.db2.gz IFHMOMOYNTZZKY-CYBMUJFWSA-N 0 3 297.830 2.590 50 0 CFAAHN CCCCCCN1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000095400253 375431316 /nfs/dbraw/zinc/43/13/16/375431316.db2.gz IPRCEKJNGAMYOE-UHFFFAOYSA-N 0 3 277.412 2.743 50 0 CFAAHN C[C@H](CC(=O)N(C)C)N[C@H](c1ccc(F)cc1)C1CC1 ZINC000095422194 375440880 /nfs/dbraw/zinc/44/08/80/375440880.db2.gz ZALDKVHDTPEJCU-BZNIZROVSA-N 0 3 278.371 2.733 50 0 CFAAHN CN(Cc1cccs1)C(=O)C[C@@H](N)Cc1ccccc1 ZINC000095427968 375443107 /nfs/dbraw/zinc/44/31/07/375443107.db2.gz XPOCVIVCRFVRGT-AWEZNQCLSA-N 0 3 288.416 2.667 50 0 CFAAHN Cc1noc(C)c1CN[C@@H](C)C[C@@H](O)c1cccs1 ZINC000095448929 375453937 /nfs/dbraw/zinc/45/39/37/375453937.db2.gz UNSCPEMUDCKODQ-TVQRCGJNSA-N 0 3 280.393 2.955 50 0 CFAAHN Cn1cc(CNCc2ccc(F)cc2)c(-c2cccnc2)n1 ZINC000097159724 375532944 /nfs/dbraw/zinc/53/29/44/375532944.db2.gz LJZMHUFPSWRYHL-UHFFFAOYSA-N 0 3 296.349 2.911 50 0 CFAAHN Cc1n[nH]cc1CN[C@H](CN1CCCC1)c1ccccc1 ZINC000097159475 375533011 /nfs/dbraw/zinc/53/30/11/375533011.db2.gz STRDYPBHGKBHAU-QGZVFWFLSA-N 0 3 284.407 2.645 50 0 CFAAHN C[C@@H]1C[C@@H]1[C@H](N[C@@H]1CCNC1=O)c1ccc(Cl)cc1 ZINC000096493192 375488372 /nfs/dbraw/zinc/48/83/72/375488372.db2.gz AFDADXSWJVPTHS-GJQVQUKXSA-N 0 3 278.783 2.515 50 0 CFAAHN COc1ccc([C@H](C)N[C@@]2(C)CCOC2)cc1F ZINC000097038522 375498499 /nfs/dbraw/zinc/49/84/99/375498499.db2.gz JJVMFXMYFLMOHP-HZMBPMFUSA-N 0 3 253.317 2.664 50 0 CFAAHN COc1ccc([C@H](C)N[C@@]2(C)CCOC2)c(F)c1 ZINC000097038528 375498758 /nfs/dbraw/zinc/49/87/58/375498758.db2.gz NBZMJZXIQDGPRB-HZMBPMFUSA-N 0 3 253.317 2.664 50 0 CFAAHN CN(CCc1ccncc1)C[C@H](O)c1c(F)cccc1F ZINC000097051131 375504490 /nfs/dbraw/zinc/50/44/90/375504490.db2.gz YCNTVJULCGETJM-HNNXBMFYSA-N 0 3 292.329 2.568 50 0 CFAAHN FC(F)COc1cc(CN[C@H]2CCCSC2)ccn1 ZINC000097084675 375512095 /nfs/dbraw/zinc/51/20/95/375512095.db2.gz JFMHPIZWRHLURQ-NSHDSACASA-N 0 3 288.363 2.711 50 0 CFAAHN CCn1c(CN[C@@H](C)[C@@H]2CCCO2)nc2c1cccc2F ZINC000097111583 375523266 /nfs/dbraw/zinc/52/32/66/375523266.db2.gz XXLDGPYHDKWZDD-FZMZJTMJSA-N 0 3 291.370 2.852 50 0 CFAAHN 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C[C@H](C1CC1)N(C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000106524268 375798827 /nfs/dbraw/zinc/79/88/27/375798827.db2.gz SWXQSJBSIVRICS-DYVFJYSZSA-N 0 3 286.419 2.911 50 0 CFAAHN CC(C)N(C)C(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124332304 377039635 /nfs/dbraw/zinc/03/96/35/377039635.db2.gz POALPRIWFLZQLE-SDDRHHMPSA-N 0 3 294.361 2.952 50 0 CFAAHN COc1ccc2ccccc2c1CNC(=O)[C@@H]1CCCCN1 ZINC000151120280 378297371 /nfs/dbraw/zinc/29/73/71/378297371.db2.gz XQLVZESUFOJTKS-INIZCTEOSA-N 0 3 298.386 2.607 50 0 CFAAHN Fc1cc(Cl)ccc1CNCCCn1cccn1 ZINC000160888344 378808505 /nfs/dbraw/zinc/80/85/05/378808505.db2.gz KXLTYENGHGOEOK-UHFFFAOYSA-N 0 3 267.735 2.856 50 0 CFAAHN CN(C(=O)CN1CCC2(CCCC2)C1)c1ccccc1 ZINC000174268721 379855358 /nfs/dbraw/zinc/85/53/58/379855358.db2.gz OYJZPXMCXLXZGD-UHFFFAOYSA-N 0 3 272.392 2.916 50 0 CFAAHN Cc1nccn1C[C@@H]1CCCN1CCC(=O)c1ccccc1 ZINC000182404975 381084159 /nfs/dbraw/zinc/08/41/59/381084159.db2.gz VRIKBHQGLZJQFN-KRWDZBQOSA-N 0 3 297.402 2.929 50 0 CFAAHN 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ZINC000230200849 382857022 /nfs/dbraw/zinc/85/70/22/382857022.db2.gz FRANEKMOHVLMRS-LBTNJELSSA-N 0 3 267.438 2.879 50 0 CFAAHN COc1ccc2c(c1)[C@@H](C)N(CCn1nccc1C)CC2 ZINC000244673868 382989787 /nfs/dbraw/zinc/98/97/87/382989787.db2.gz HXAYEJLKDOATQH-CQSZACIVSA-N 0 3 285.391 2.819 50 0 CFAAHN CCN(Cc1cc(OC)ccn1)[C@@H]1CCOC(C)(C)C1 ZINC000244718674 382990763 /nfs/dbraw/zinc/99/07/63/382990763.db2.gz LOUTTYDXYZIUBP-CQSZACIVSA-N 0 3 278.396 2.870 50 0 CFAAHN Fc1cccc(CN2CCC[C@H](n3ccnn3)CC2)c1 ZINC000585116171 383115020 /nfs/dbraw/zinc/11/50/20/383115020.db2.gz JQMWZGLGKQYROF-HNNXBMFYSA-N 0 3 274.343 2.644 50 0 CFAAHN C[C@H](N[C@H]1CCCn2ncnc21)[C@@H]1CC2CCC1CC2 ZINC000585117084 383115479 /nfs/dbraw/zinc/11/54/79/383115479.db2.gz QMBNCJIFOVBFIS-IIZVFWCOSA-N 0 3 274.412 2.917 50 0 CFAAHN O=C([C@H](C1CC1)N1CCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000252512632 383416624 /nfs/dbraw/zinc/41/66/24/383416624.db2.gz UAESFQWKKPKMDN-JYJNAYRXSA-N 0 3 276.424 2.509 50 0 CFAAHN Cc1nc(CN2CC(N3CCCC[C@@H]3C)C2)cs1 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ZINC000286104788 394192945 /nfs/dbraw/zinc/19/29/45/394192945.db2.gz LFDMMEZFPAPCLO-NSHDSACASA-N 0 3 297.395 2.940 50 0 CFAAHN FC(F)(F)[C@@H]1CCCN(CCN2CCCCC2)C1 ZINC000176885908 394382102 /nfs/dbraw/zinc/38/21/02/394382102.db2.gz OHUDYXSPUDOVIR-GFCCVEGCSA-N 0 3 264.335 2.747 50 0 CFAAHN Cc1nc(N)cc(N2CCC[C@H](OCc3ccccc3)C2)n1 ZINC000091872293 135074030 /nfs/dbraw/zinc/07/40/30/135074030.db2.gz XLAGHRBBKXDCNV-HNNXBMFYSA-N 0 3 298.390 2.553 50 0 CFAAHN Cc1cnccc1-c1cccc(OCCN(C)C)c1 ZINC000649427596 395494131 /nfs/dbraw/zinc/49/41/31/395494131.db2.gz SLTAPEXOBAIDAI-UHFFFAOYSA-N 0 3 256.349 2.997 50 0 CFAAHN COc1ccc2c(c1)CCC[C@H]2N(C)CC(OC)OC ZINC000408514285 397564830 /nfs/dbraw/zinc/56/48/30/397564830.db2.gz NGYFKQPGERPGNO-OAHLLOKOSA-N 0 3 279.380 2.623 50 0 CFAAHN Cc1cc(C(=O)NCCN2CCC(C)CC2)c(C)s1 ZINC000046957121 397583316 /nfs/dbraw/zinc/58/33/16/397583316.db2.gz FMOCCCMOGCQITG-UHFFFAOYSA-N 0 3 280.437 2.827 50 0 CFAAHN CN1CCC[C@]2(CCN(Cc3cccc(Cl)c3)C2)C1=O ZINC000012072459 397538659 /nfs/dbraw/zinc/53/86/59/397538659.db2.gz TVPBRNLWOJIDEC-MRXNPFEDSA-N 0 3 292.810 2.784 50 0 CFAAHN CCS[C@@H]1CC[C@]1(O)CN[C@H](C)c1ccccc1OC ZINC000108324530 397598015 /nfs/dbraw/zinc/59/80/15/397598015.db2.gz NIHUEJFMZJBJOK-WQVCFCJDSA-N 0 3 295.448 2.992 50 0 CFAAHN COCc1nc2n(n1)CCC[C@@H]2NC1C[C@@H](C)C[C@H](C)C1 ZINC000108460399 397598132 /nfs/dbraw/zinc/59/81/32/397598132.db2.gz KOTGXINIQKHREC-OBJOEFQTSA-N 0 3 292.427 2.674 50 0 CFAAHN CO[C@H](CN[C@H]1CCO[C@@H]1C)c1ccccc1Cl ZINC000108489152 397598317 /nfs/dbraw/zinc/59/83/17/397598317.db2.gz MLDQLGJZSPEJME-DDTOSNHZSA-N 0 3 269.772 2.795 50 0 CFAAHN CC(=O)c1ccc(NC[C@H](C(C)C)N2CCCC2)nc1 ZINC000663381056 413172174 /nfs/dbraw/zinc/17/21/74/413172174.db2.gz YPGLUIOMCCJTDN-OAHLLOKOSA-N 0 3 275.396 2.817 50 0 CFAAHN Cc1ccc2c(c1)CCCN2C(=O)[C@@H](N)CC(C)C ZINC000019485976 292307646 /nfs/dbraw/zinc/30/76/46/292307646.db2.gz JVDWIITYIYHMCL-AWEZNQCLSA-N 0 3 260.381 2.648 50 0 CFAAHN C[C@@H](O)CN[C@@H](c1ccc(Br)s1)C1CC1 ZINC000190570886 287098806 /nfs/dbraw/zinc/09/88/06/287098806.db2.gz QMSAQMGNPWTHRL-RDDDGLTNSA-N 0 3 290.226 2.932 50 0 CFAAHN CN(C)C[C@H](O)CN(c1ccccc1)c1ccccc1 ZINC000004732978 170007673 /nfs/dbraw/zinc/00/76/73/170007673.db2.gz ZZFDWKLHXCAHDS-KRWDZBQOSA-N 0 3 270.376 2.747 50 0 CFAAHN CC(=O)c1ccccc1OCCN1CCC[C@@H](C)C1 ZINC000004841060 170027687 /nfs/dbraw/zinc/02/76/87/170027687.db2.gz TZVJNJMOBARIOQ-CYBMUJFWSA-N 0 3 261.365 3.000 50 0 CFAAHN CCN(CC)CCn1cnc2c3cc(C)ccc3[nH]c2c1=O ZINC000004859831 170032392 /nfs/dbraw/zinc/03/23/92/170032392.db2.gz LUGRWCYJCYHETD-UHFFFAOYSA-N 0 3 298.390 2.528 50 0 CFAAHN C[C@H](NC[C@@H](O)COc1ccccc1)c1ccccc1 ZINC000005171587 170073194 /nfs/dbraw/zinc/07/31/94/170073194.db2.gz RXEDPFOIQRFAIZ-GOEBONIOSA-N 0 3 271.360 2.777 50 0 CFAAHN C[C@@H](O)CNCc1ccccc1OCc1ccccc1 ZINC000005912751 170154895 /nfs/dbraw/zinc/15/48/95/170154895.db2.gz HNHDZVLNVJHJON-CQSZACIVSA-N 0 3 271.360 2.736 50 0 CFAAHN Cc1ccc(NC(=O)NCCN2CCCCC2)cc1C ZINC000006730816 170235300 /nfs/dbraw/zinc/23/53/00/170235300.db2.gz LGMTZDRXBOSIOC-UHFFFAOYSA-N 0 3 275.396 2.911 50 0 CFAAHN CN(C)[C@H](CNc1cncc(Cl)n1)Cc1ccccc1 ZINC000008728172 170350416 /nfs/dbraw/zinc/35/04/16/170350416.db2.gz IGWSAEJOJINDPB-ZDUSSCGKSA-N 0 3 290.798 2.715 50 0 CFAAHN C[C@@H]1C[C@H](C)CN(CCOc2cccc(C=O)c2)C1 ZINC000009261381 170369301 /nfs/dbraw/zinc/36/93/01/170369301.db2.gz XEHJICFNDYDDQD-OKILXGFUSA-N 0 3 261.365 2.856 50 0 CFAAHN O=C(NC1CC1)c1ccc(CN2CCCCC2)cc1 ZINC000009691170 170384386 /nfs/dbraw/zinc/38/43/86/170384386.db2.gz JCRRHDSQLDEWKI-UHFFFAOYSA-N 0 3 258.365 2.565 50 0 CFAAHN O=C(CNC1CCCC1)Nc1ccc(Cl)cc1 ZINC000020037078 170974714 /nfs/dbraw/zinc/97/47/14/170974714.db2.gz ZVKQTYKOBWFZMP-UHFFFAOYSA-N 0 3 252.745 2.811 50 0 CFAAHN CC(=O)Nc1ccc(CNCc2cccs2)cc1 ZINC000020138896 171026258 /nfs/dbraw/zinc/02/62/58/171026258.db2.gz VKSPANGYZBKVJZ-UHFFFAOYSA-N 0 3 260.362 2.996 50 0 CFAAHN COCc1ccc(CN[C@H]2COc3ccccc3C2)o1 ZINC000020775834 171272106 /nfs/dbraw/zinc/27/21/06/171272106.db2.gz 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CCOc1c(CNCCCCO)cc(Cl)cc1OC ZINC000040744176 174391281 /nfs/dbraw/zinc/39/12/81/174391281.db2.gz YAGFDPQOESYGDT-UHFFFAOYSA-N 0 3 287.787 2.609 50 0 CFAAHN OCCCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000040744135 174391293 /nfs/dbraw/zinc/39/12/93/174391293.db2.gz WUENDEBDTXDBRP-UHFFFAOYSA-N 0 3 263.312 2.948 50 0 CFAAHN FC(F)Oc1ccccc1CN[C@H]1CCN(C2CC2)C1 ZINC000044684994 175231204 /nfs/dbraw/zinc/23/12/04/175231204.db2.gz BSOSWRDCWCHELF-LBPRGKRZSA-N 0 3 282.334 2.614 50 0 CFAAHN CCCCNCc1nn(CC)nc1-c1ccccc1 ZINC000045944818 175387409 /nfs/dbraw/zinc/38/74/09/175387409.db2.gz KXIMOGZJTGGHCX-UHFFFAOYSA-N 0 3 258.369 2.855 50 0 CFAAHN COc1ccc(NC(=O)CN(C)C2CCCC2)c(OC)c1 ZINC000053814169 175551022 /nfs/dbraw/zinc/55/10/22/175551022.db2.gz YYDQTHIGJRLVCQ-UHFFFAOYSA-N 0 3 292.379 2.517 50 0 CFAAHN COc1cccc(CNC(=O)c2ccc(CN(C)C)cc2)c1 ZINC000068250073 175808037 /nfs/dbraw/zinc/80/80/37/175808037.db2.gz ODWBLGCHHARANH-UHFFFAOYSA-N 0 3 298.386 2.687 50 0 CFAAHN CC(C)C[C@@H](N)C(=O)N(C)Cc1csc(C(C)C)n1 ZINC000071748034 176258909 /nfs/dbraw/zinc/25/89/09/176258909.db2.gz NXUOWWNUKRPZPZ-GFCCVEGCSA-N 0 3 283.441 2.598 50 0 CFAAHN CC(C)C[C@@H](N)C(=O)N(C)Cc1cccc2cnccc21 ZINC000071746745 176259033 /nfs/dbraw/zinc/25/90/33/176259033.db2.gz NALLVUKGZLAKKO-MRXNPFEDSA-N 0 3 285.391 2.567 50 0 CFAAHN O=C(Nc1ccc2[nH]ccc2c1)NC1CCN(C2CC2)CC1 ZINC000071803345 176266658 /nfs/dbraw/zinc/26/66/58/176266658.db2.gz ZCXHOUDSZXSHFY-UHFFFAOYSA-N 0 3 298.390 2.916 50 0 CFAAHN C[C@@H]1CCC[C@@H](CNC(=O)N(C)CC2CCN(C)CC2)C1 ZINC000071803451 176266754 /nfs/dbraw/zinc/26/67/54/176266754.db2.gz IJAAWNWLOOADRG-GDBMZVCRSA-N 0 3 295.471 2.796 50 0 CFAAHN CN(C)C[C@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000071834731 176273683 /nfs/dbraw/zinc/27/36/83/176273683.db2.gz HULVBHXKYFOQRW-CQSZACIVSA-N 0 3 285.391 2.724 50 0 CFAAHN CCC(C)(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000071855252 176278091 /nfs/dbraw/zinc/27/80/91/176278091.db2.gz BMBNAOXYIOUTTM-UHFFFAOYSA-N 0 3 292.423 2.679 50 0 CFAAHN Cc1cc(CNCCn2cccn2)c2ccccc2n1 ZINC000071857531 176278774 /nfs/dbraw/zinc/27/87/74/176278774.db2.gz FNBHTZZFOUNBAF-UHFFFAOYSA-N 0 3 266.348 2.530 50 0 CFAAHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cccc(F)c1 ZINC000071880490 176287468 /nfs/dbraw/zinc/28/74/68/176287468.db2.gz GRVCQGMQKIEZQR-IAGOWNOFSA-N 0 3 290.382 2.801 50 0 CFAAHN CNCc1cc(-c2ccnc3[nH]ccc32)ccc1OC ZINC000072154424 176327777 /nfs/dbraw/zinc/32/77/77/176327777.db2.gz NMTFBJLGMICWOT-UHFFFAOYSA-N 0 3 267.332 2.958 50 0 CFAAHN CC[C@@H]1CN(Cc2cnn(C)c2C2CC2)CCN1C(C)C ZINC000072168540 176332647 /nfs/dbraw/zinc/33/26/47/176332647.db2.gz MNCGUEXDKWRMKO-MRXNPFEDSA-N 0 3 290.455 2.602 50 0 CFAAHN COC[C@H](C)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000072304857 176365867 /nfs/dbraw/zinc/36/58/67/176365867.db2.gz RBBDGXIARXXLSQ-INIZCTEOSA-N 0 3 298.430 2.992 50 0 CFAAHN Fc1cccc(CN(CCC2OCCCO2)C2CC2)c1 ZINC000072312060 176367590 /nfs/dbraw/zinc/36/75/90/176367590.db2.gz PZYXCMQGHUEICR-UHFFFAOYSA-N 0 3 279.355 2.943 50 0 CFAAHN CC[C@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000072312055 176367603 /nfs/dbraw/zinc/36/76/03/176367603.db2.gz BTTIJSGYPDLENX-AWEZNQCLSA-N 0 3 270.380 2.889 50 0 CFAAHN O[C@@H](Cc1ccccc1)C1CCN(c2ccncc2)CC1 ZINC000077300400 177250700 /nfs/dbraw/zinc/25/07/00/177250700.db2.gz WTSVUPYQPMOVRE-SFHVURJKSA-N 0 3 282.387 2.902 50 0 CFAAHN CCn1cc(CN2CCC[C@H](CCCOC)C2)cn1 ZINC000077554160 177280805 /nfs/dbraw/zinc/28/08/05/177280805.db2.gz VCXAHXSMXZNQEL-CQSZACIVSA-N 0 3 265.401 2.542 50 0 CFAAHN OC1CCC(NCc2c(F)cccc2N2CCCC2)CC1 ZINC000078371391 177335791 /nfs/dbraw/zinc/33/57/91/177335791.db2.gz QGFCLKABMPDUJG-UHFFFAOYSA-N 0 3 292.398 2.819 50 0 CFAAHN CC(C)(C)CN(CCCO)Cc1ccnc(Cl)c1 ZINC000078611590 177360081 /nfs/dbraw/zinc/36/00/81/177360081.db2.gz XDCKNFDXBSVFQM-UHFFFAOYSA-N 0 3 270.804 2.966 50 0 CFAAHN CCCN(CCN(C)C)C(=O)c1sc(C(C)C)nc1C ZINC000078710652 177374786 /nfs/dbraw/zinc/37/47/86/177374786.db2.gz UCXWQSAOTQPNKJ-UHFFFAOYSA-N 0 3 297.468 2.989 50 0 CFAAHN O=C(Nc1ccccc1CN1CCCC1)C1CCOCC1 ZINC000827763771 782045317 /nfs/dbraw/zinc/04/53/17/782045317.db2.gz NZWBNLNEHNEONG-UHFFFAOYSA-N 0 3 288.391 2.648 50 0 CFAAHN CC[C@H](N)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000177970427 273749546 /nfs/dbraw/zinc/74/95/46/273749546.db2.gz QSPOTVYNAFDNEQ-MSOLQXFVSA-N 0 3 294.398 2.898 50 0 CFAAHN COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)NCC2 ZINC000000896120 274102689 /nfs/dbraw/zinc/10/26/89/274102689.db2.gz LVVKXRQZSRUVPY-HNNXBMFYSA-N 0 3 285.343 2.536 50 0 in-vivo CFAAHN N=C1Nc2nc3ccccc3n2[C@H](/C=C/c2ccccc2)N1 ZINC000001408178 274943301 /nfs/dbraw/zinc/94/33/01/274943301.db2.gz YKEVULXNKMWCPY-AUECHBEKSA-N 0 3 289.342 2.798 50 0 CFAAHN CCN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000016602998 276149873 /nfs/dbraw/zinc/14/98/73/276149873.db2.gz RZALMIYDNOCVLY-UHFFFAOYSA-N 0 3 290.451 2.803 50 0 CFAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccsc2)C1 ZINC000003684253 276320761 /nfs/dbraw/zinc/32/07/61/276320761.db2.gz CEVZKGVNGGYUKK-AWEZNQCLSA-N 0 3 280.437 2.829 50 0 CFAAHN CC(C)(C)CCN1CCC(O)(C(F)(F)F)CC1 ZINC000089969618 277140023 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/nfs/dbraw/zinc/71/43/78/281714378.db2.gz KVWPKYBPTXBWKB-UHFFFAOYSA-N 0 3 278.425 2.804 50 0 CFAAHN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@](C)(N)C2CC2)C1 ZINC000299750493 302168050 /nfs/dbraw/zinc/16/80/50/302168050.db2.gz NOQLSNKRQQMYNW-PMUMKWKESA-N 0 3 286.419 2.827 50 0 CFAAHN Cc1cccc2[nH]c(CN[C@H]3CCCSC3)nc21 ZINC000534662397 328350269 /nfs/dbraw/zinc/35/02/69/328350269.db2.gz JXPRSYYTMOGCRD-NSHDSACASA-N 0 3 261.394 2.857 50 0 CFAAHN Cc1cccc2nc(CN[C@H]3CCCSC3)[nH]c21 ZINC000534662397 328350270 /nfs/dbraw/zinc/35/02/70/328350270.db2.gz JXPRSYYTMOGCRD-NSHDSACASA-N 0 3 261.394 2.857 50 0 CFAAHN C[C@H]1CCC[C@H](C(=O)NCCCNCc2cccnc2)C1 ZINC000195542775 324108589 /nfs/dbraw/zinc/10/85/89/324108589.db2.gz SHXLOQGNHKKRKD-HOCLYGCPSA-N 0 3 289.423 2.504 50 0 CFAAHN C[C@@H](O)c1ccc(-c2ccc(CNCCN(C)C)o2)cc1 ZINC000019872359 525864540 /nfs/dbraw/zinc/86/45/40/525864540.db2.gz RYBLYPBCPMQXOB-CYBMUJFWSA-N 0 3 288.391 2.651 50 0 CFAAHN C/C(=C\c1ccccc1)CNCCNC(=O)c1ccco1 ZINC000098009381 527534975 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/nfs/dbraw/zinc/05/81/51/374058151.db2.gz ACYBJYCTBVXVNL-AWEZNQCLSA-N 0 3 292.810 2.582 50 0 CFAAHN CC(C)Oc1ccccc1CN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000069417827 374061473 /nfs/dbraw/zinc/06/14/73/374061473.db2.gz PAYXOQCNESJZGV-HIFRSBDPSA-N 0 3 290.407 2.560 50 0 CFAAHN C[C@@H](CNC(=O)CCc1ccc(-c2ccccc2)[nH]1)N(C)C ZINC000069451538 374063262 /nfs/dbraw/zinc/06/32/62/374063262.db2.gz ROUJOBNTOQRLOY-AWEZNQCLSA-N 0 3 299.418 2.681 50 0 CFAAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2cccc3c2OCO3)c1 ZINC000069463842 374065781 /nfs/dbraw/zinc/06/57/81/374065781.db2.gz BTVNJVYNOLRHNI-OLZOCXBDSA-N 0 3 287.363 2.660 50 0 CFAAHN C[C@@H](c1cccc(Cl)c1)N(C)CCC(=O)N1CCC1 ZINC000069570236 374074681 /nfs/dbraw/zinc/07/46/81/374074681.db2.gz ICXSVNISWMULER-LBPRGKRZSA-N 0 3 280.799 2.955 50 0 CFAAHN C(=C/c1ccccc1)\CN1CCC[C@H](Cn2cncn2)C1 ZINC000070020983 374116706 /nfs/dbraw/zinc/11/67/06/374116706.db2.gz PIPWJUQTLLYDKF-AUNFYEFLSA-N 0 3 282.391 2.704 50 0 CFAAHN Cc1cnn(C[C@@H](C)NC[C@@H](O)c2ccccc2Cl)c1 ZINC000069810232 374100499 /nfs/dbraw/zinc/10/04/99/374100499.db2.gz CAXCGZZLOZDYGO-IUODEOHRSA-N 0 3 293.798 2.557 50 0 CFAAHN NC[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 ZINC000070434927 374173555 /nfs/dbraw/zinc/17/35/55/374173555.db2.gz JKHPXMVPJWQYGK-HNNXBMFYSA-N 0 3 252.317 2.805 50 0 CFAAHN Cc1ccc([C@H](NC(=O)C2(N)CC2)c2ccccc2)cc1 ZINC000071753716 374221523 /nfs/dbraw/zinc/22/15/23/374221523.db2.gz DPAKLVVINCWSLE-MRXNPFEDSA-N 0 3 280.371 2.692 50 0 CFAAHN CC(=O)Nc1cccc(NC(=O)CN[C@@H](C)C(C)(C)C)c1 ZINC000072632875 374270910 /nfs/dbraw/zinc/27/09/10/374270910.db2.gz QMDOKPHRNDMSIK-NSHDSACASA-N 0 3 291.395 2.608 50 0 CFAAHN COC(=O)CC(C)(C)NCc1cccc2c1OC(C)(C)C2 ZINC000072294901 374241877 /nfs/dbraw/zinc/24/18/77/374241877.db2.gz ADGYUZJDWGRCDQ-UHFFFAOYSA-N 0 3 291.391 2.831 50 0 CFAAHN COC(=O)/C(C)=C/CN(C)[C@@H]1CCc2ccccc21 ZINC000072309073 374243149 /nfs/dbraw/zinc/24/31/49/374243149.db2.gz UODPEXMWVDODGJ-HBIYDYFMSA-N 0 3 259.349 2.725 50 0 CFAAHN COC(=O)/C(C)=C/CN(C)[C@H]1CCc2ccccc21 ZINC000072309074 374244285 /nfs/dbraw/zinc/24/42/85/374244285.db2.gz UODPEXMWVDODGJ-PABFRNLHSA-N 0 3 259.349 2.725 50 0 CFAAHN CCS[C@H]1CC[C@@H](N(C)Cc2cnc(C)cn2)C1 ZINC000078947876 374577392 /nfs/dbraw/zinc/57/73/92/374577392.db2.gz HKULEZPUFWSDOV-KGLIPLIRSA-N 0 3 265.426 2.891 50 0 CFAAHN CCc1nc(CNC[C@@H]2CCCn3cc(C)nc32)cs1 ZINC000083830327 374757413 /nfs/dbraw/zinc/75/74/13/374757413.db2.gz YIHGFOGZAIWWJI-LBPRGKRZSA-N 0 3 290.436 2.878 50 0 CFAAHN COc1ccccc1CN1CCC[C@H](c2nccn2C)C1 ZINC000082097912 374726362 /nfs/dbraw/zinc/72/63/62/374726362.db2.gz LGSDAHKEYZLAHI-HNNXBMFYSA-N 0 3 285.391 2.808 50 0 CFAAHN c1ccc(OCCN2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000084556828 374781146 /nfs/dbraw/zinc/78/11/46/374781146.db2.gz NQCQSUFEBHVVPU-KRWDZBQOSA-N 0 3 284.359 2.614 50 0 CFAAHN c1cn2c(n1)[C@H](CNCc1csc(C3CC3)n1)CCC2 ZINC000084613349 374783927 /nfs/dbraw/zinc/78/39/27/374783927.db2.gz PSSMQUNESPHNEX-LBPRGKRZSA-N 0 3 288.420 2.884 50 0 CFAAHN CC(=O)c1c(F)cccc1N[C@H](C)CCN(C)C ZINC000084637215 374786043 /nfs/dbraw/zinc/78/60/43/374786043.db2.gz SUQBSKWOYPPVTM-SNVBAGLBSA-N 0 3 252.333 2.780 50 0 CFAAHN CC(C)N1CC[C@H](N[C@H](C)CSC(C)(C)C)C1=O ZINC000089728478 374942802 /nfs/dbraw/zinc/94/28/02/374942802.db2.gz OEEBVTCXUFMGFR-NEPJUHHUSA-N 0 3 272.458 2.506 50 0 CFAAHN C[C@H](CC(N)=O)NCc1ccc(-c2ccccc2F)s1 ZINC000089894493 374965549 /nfs/dbraw/zinc/96/55/49/374965549.db2.gz CTKWVVYDDQWUAG-SNVBAGLBSA-N 0 3 292.379 2.908 50 0 CFAAHN COc1ccc(CN(C)CC[C@@H](C)O)cc1Cl ZINC000089895447 374966708 /nfs/dbraw/zinc/96/67/08/374966708.db2.gz KVOHADLANLVMFK-SNVBAGLBSA-N 0 3 257.761 2.551 50 0 CFAAHN COc1c(CN(C)[C@H](C)Cc2cccs2)c(C)nn1C ZINC000093706063 375301462 /nfs/dbraw/zinc/30/14/62/375301462.db2.gz FLGRXKOKDMFDSH-LLVKDONJSA-N 0 3 293.436 2.862 50 0 CFAAHN COc1ccccc1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093506959 375258007 /nfs/dbraw/zinc/25/80/07/375258007.db2.gz NGHYVUFFYNSIIJ-ZBFHGGJFSA-N 0 3 261.365 2.696 50 0 CFAAHN CC(C)N(CC(=O)NCC1CCCCC1)C(C)C ZINC000095459774 375456844 /nfs/dbraw/zinc/45/68/44/375456844.db2.gz NCCVHDSANQSZCN-UHFFFAOYSA-N 0 3 254.418 2.802 50 0 CFAAHN Cc1ccc(CCN(Cc2ccco2)C(=O)[C@H](C)N)cc1 ZINC000095466788 375458088 /nfs/dbraw/zinc/45/80/88/375458088.db2.gz OTGGXVMYBWBOGM-AWEZNQCLSA-N 0 3 286.375 2.507 50 0 CFAAHN CCN(CCN(C)C)C(=O)Nc1ccc2ncccc2c1 ZINC000095500672 375461681 /nfs/dbraw/zinc/46/16/81/375461681.db2.gz DOVAIHYQHGNFRX-UHFFFAOYSA-N 0 3 286.379 2.650 50 0 CFAAHN C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@@H](C)c1cnccn1 ZINC000095978069 375464495 /nfs/dbraw/zinc/46/44/95/375464495.db2.gz PINBWMGEABGTND-WQGACYEGSA-N 0 3 289.354 2.779 50 0 CFAAHN C[C@@]1(NCc2ccccc2C(F)(F)F)CCOC1 ZINC000095988512 375467121 /nfs/dbraw/zinc/46/71/21/375467121.db2.gz ZUKIQXLOGNQVEF-GFCCVEGCSA-N 0 3 259.271 2.974 50 0 CFAAHN CC(C)C(=O)Nc1ccc(-c2cnccc2N)cc1 ZINC000096136816 375468959 /nfs/dbraw/zinc/46/89/59/375468959.db2.gz RFWSFGHANKOFIH-UHFFFAOYSA-N 0 3 255.321 2.925 50 0 CFAAHN C[C@@H](CCCC(C)(C)O)CCN1CCc2nc[nH]c2C1 ZINC000095388073 375428109 /nfs/dbraw/zinc/42/81/09/375428109.db2.gz CWTCDHPXXZBULR-ZDUSSCGKSA-N 0 3 279.428 2.735 50 0 CFAAHN COc1ccc2c(c1)CCN(Cc1cccnc1)CC2 ZINC000095388597 375428286 /nfs/dbraw/zinc/42/82/86/375428286.db2.gz XVACKXOLRJGORT-UHFFFAOYSA-N 0 3 268.360 2.691 50 0 CFAAHN c1cncc(CN2C[C@H]3CC[C@H](CN3CC3CCC3)C2)c1 ZINC000095388436 375428698 /nfs/dbraw/zinc/42/86/98/375428698.db2.gz VFQQYWFYOFHVIH-ZWKOTPCHSA-N 0 3 285.435 2.778 50 0 CFAAHN CCCn1nc(CCOC)nc1[C@@H](N)CC1CCCCC1 ZINC000096166498 375473670 /nfs/dbraw/zinc/47/36/70/375473670.db2.gz MAPCJWIOVKXIDA-AWEZNQCLSA-N 0 3 294.443 2.847 50 0 CFAAHN COc1ccc([C@H](C)[C@H](C)NCC(=O)NC(C)(C)C)cc1 ZINC000095419758 375439209 /nfs/dbraw/zinc/43/92/09/375439209.db2.gz KGRNMMCLMKNCSO-OLZOCXBDSA-N 0 3 292.423 2.692 50 0 CFAAHN CC[C@@H](COc1ccccc1)N[C@H](C)c1cnn(C)c1 ZINC000095422430 375440391 /nfs/dbraw/zinc/44/03/91/375440391.db2.gz WRMHKQSBGPNDJG-HIFRSBDPSA-N 0 3 273.380 2.928 50 0 CFAAHN Cc1ccc([C@@H](C)NCCOC[C@@H]2CCCO2)cc1 ZINC000095422505 375440678 /nfs/dbraw/zinc/44/06/78/375440678.db2.gz NPPKQAQPXKIOEA-ZBFHGGJFSA-N 0 3 263.381 2.841 50 0 CFAAHN COCc1cc(SCCN(C)C)nc(C(C)(C)C)n1 ZINC000095433658 375446484 /nfs/dbraw/zinc/44/64/84/375446484.db2.gz GMDLKJLUPPSRHJ-UHFFFAOYSA-N 0 3 283.441 2.574 50 0 CFAAHN Cc1cc(CN(C)C)cc(NC(=O)Cc2cccc(O)c2)c1 ZINC000095448265 375453443 /nfs/dbraw/zinc/45/34/43/375453443.db2.gz ANVBCIQUIGNORE-UHFFFAOYSA-N 0 3 298.386 2.943 50 0 CFAAHN Cc1n[nH]c(C)c1CN[C@H]1CCCN(Cc2ccccc2)C1 ZINC000097159263 375531507 /nfs/dbraw/zinc/53/15/07/375531507.db2.gz SNVCCWMGLJLJAU-KRWDZBQOSA-N 0 3 298.434 2.781 50 0 CFAAHN C[C@H]1C[C@@H](c2cccc(F)c2)N(CCN2CCOC2=O)C1 ZINC000096441535 375486325 /nfs/dbraw/zinc/48/63/25/375486325.db2.gz JWIACOQJQILTOG-WFASDCNBSA-N 0 3 292.354 2.661 50 0 CFAAHN COCC(C)(C)N[C@H](C)c1ccc(OC)cc1F ZINC000097037651 375498077 /nfs/dbraw/zinc/49/80/77/375498077.db2.gz DGTMBZIGCLIYQM-SNVBAGLBSA-N 0 3 255.333 2.910 50 0 CFAAHN Cc1n[nH]c(C)c1CNC[C@H](c1ccccc1)N1CCCC1 ZINC000097140108 375528831 /nfs/dbraw/zinc/52/88/31/375528831.db2.gz DTENZIZQEMKXPA-GOSISDBHSA-N 0 3 298.434 2.953 50 0 CFAAHN CCC(=O)N1CC[C@H](Nc2ccnc3c(C)cccc23)C1 ZINC000098020463 375591653 /nfs/dbraw/zinc/59/16/53/375591653.db2.gz HCVYCSZZBVRSQJ-ZDUSSCGKSA-N 0 3 283.375 2.966 50 0 CFAAHN Cc1ccc(CNC(=O)[C@H](C2CC2)N2CCCC2)s1 ZINC000097376109 375554444 /nfs/dbraw/zinc/55/44/44/375554444.db2.gz KFSPDXHKTGJNKD-AWEZNQCLSA-N 0 3 278.421 2.547 50 0 CFAAHN COC(=O)[C@@H](C)Cc1ccc(NC2CCN(C)CC2)cc1 ZINC000097378090 375555567 /nfs/dbraw/zinc/55/55/67/375555567.db2.gz ZJBQFELXRKKWQH-ZDUSSCGKSA-N 0 3 290.407 2.544 50 0 CFAAHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1CC=CC1 ZINC000097378877 375556319 /nfs/dbraw/zinc/55/63/19/375556319.db2.gz PPQZYQWXXYHCCV-PBHICJAKSA-N 0 3 284.403 2.589 50 0 CFAAHN CCN1CCC[C@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC000097638052 375575528 /nfs/dbraw/zinc/57/55/28/375575528.db2.gz VDXCNTMALPYFDL-AWEZNQCLSA-N 0 3 299.374 2.556 50 0 CFAAHN Cc1noc(C)c1CN1CCN(C2CCCCC2)CC1 ZINC000098211878 375610020 /nfs/dbraw/zinc/61/00/20/375610020.db2.gz VNIJAXYDTCMPAF-UHFFFAOYSA-N 0 3 277.412 2.742 50 0 CFAAHN CC(=O)N1c2ccccc2C(=O)C1Cc1ccccc1 ZINC000100904111 375631238 /nfs/dbraw/zinc/63/12/38/375631238.db2.gz HYMUYWQACJHZCL-MRXNPFEDSA-N 0 3 265.312 2.847 50 0 CFAAHN CCCCc1ncc(CN2CCC[C@@H](c3ccncn3)C2)[nH]1 ZINC000257284140 190026475 /nfs/dbraw/zinc/02/64/75/190026475.db2.gz PBJDOOSYFVIZIG-CQSZACIVSA-N 0 3 299.422 2.922 50 0 CFAAHN Cn1cncc1CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000112340495 375906647 /nfs/dbraw/zinc/90/66/47/375906647.db2.gz XIKARMBRPOHWEB-WDEREUQCSA-N 0 3 261.291 2.631 50 0 CFAAHN Cc1nccn1CCCN1CCN(c2cccc(C)c2)CC1 ZINC000124773325 377087166 /nfs/dbraw/zinc/08/71/66/377087166.db2.gz FTMFRIQOZSZRDZ-UHFFFAOYSA-N 0 3 298.434 2.712 50 0 CFAAHN CC(C)OC(=O)CCN1CCC[C@@H]1c1ccncc1 ZINC000125537618 377168456 /nfs/dbraw/zinc/16/84/56/377168456.db2.gz HXVDMPFLQQVXAF-CQSZACIVSA-N 0 3 262.353 2.560 50 0 CFAAHN O=C(Nc1cccc(CN2CCCC2)c1)c1ccon1 ZINC000048343395 412903131 /nfs/dbraw/zinc/90/31/31/412903131.db2.gz TUKQVIJQXWUVMB-UHFFFAOYSA-N 0 3 271.320 2.523 50 0 CFAAHN COc1ccc([C@@H](N[C@@H]2C=C[C@H](CO)C2)C2CC2)cc1 ZINC000170594021 379121527 /nfs/dbraw/zinc/12/15/27/379121527.db2.gz AAFKQMRJCGKXPF-MJEQTWJJSA-N 0 3 273.376 2.673 50 0 CFAAHN CC(C)COC[C@@H](O)CN1CCc2sccc2[C@H]1C ZINC000170599666 379124733 /nfs/dbraw/zinc/12/47/33/379124733.db2.gz PGFVWSUKTALBPE-OLZOCXBDSA-N 0 3 283.437 2.701 50 0 CFAAHN CCC(CC)(CC)S(=O)(=O)C(C)C(=O)NC(C)(C)C ZINC000170614030 379129152 /nfs/dbraw/zinc/12/91/52/379129152.db2.gz ZWZCNLZDABSHRY-LLVKDONJSA-N 0 3 291.457 2.673 50 0 CFAAHN CSc1ccc(CN2CCC(C3OCCO3)CC2)cc1 ZINC000171239712 379258269 /nfs/dbraw/zinc/25/82/69/379258269.db2.gz VRNULQOISMMISH-UHFFFAOYSA-N 0 3 293.432 2.993 50 0 CFAAHN CN1C[C@@H](CCN2CC=C(c3ccccc3)CC2)OC1=O ZINC000000000304 169502391 /nfs/dbraw/zinc/50/23/91/169502391.db2.gz YUORBURTMIUPMW-MRXNPFEDSA-N 0 3 286.375 2.616 50 0 in-man CFAAHN OC[C@H]1CCCCN(Cc2sccc2Cl)C1 ZINC000373256260 381962991 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/nfs/dbraw/zinc/44/64/29/375446429.db2.gz AEIHHSXAVYLSHS-UHFFFAOYSA-N 0 3 297.280 2.664 50 0 CFAAHN CC(C)=C(F)C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000095445872 375452055 /nfs/dbraw/zinc/45/20/55/375452055.db2.gz NLMFNSGYGUITKC-UHFFFAOYSA-N 0 3 294.370 2.546 50 0 CFAAHN Cc1ncccc1CN[C@H](C)C[C@@H](O)c1ccco1 ZINC000095448860 375453771 /nfs/dbraw/zinc/45/37/71/375453771.db2.gz WGRNRDVPSYSEPT-BXUZGUMPSA-N 0 3 260.337 2.585 50 0 CFAAHN CC(C)N1CCCN(Cc2c(F)cccc2F)CC1 ZINC000095453826 375455489 /nfs/dbraw/zinc/45/54/89/375455489.db2.gz JZLVTPXNJJQWJE-UHFFFAOYSA-N 0 3 268.351 2.881 50 0 CFAAHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCc1cccnc1 ZINC000097145885 375532265 /nfs/dbraw/zinc/53/22/65/375532265.db2.gz XGFJDONUHMCOAV-UONOGXRCSA-N 0 3 291.395 2.617 50 0 CFAAHN Cc1n[nH]c(C)c1CNCc1ccccc1Cn1cccn1 ZINC000097159486 375534269 /nfs/dbraw/zinc/53/42/69/375534269.db2.gz UVFJYCGYCRVJIX-UHFFFAOYSA-N 0 3 295.390 2.561 50 0 CFAAHN COc1ccc([C@H](C)N[C@]2(C)CCOC2)c(F)c1 ZINC000097038525 375497892 /nfs/dbraw/zinc/49/78/92/375497892.db2.gz NBZMJZXIQDGPRB-IINYFYTJSA-N 0 3 253.317 2.664 50 0 CFAAHN C[C@@H](NCC(=O)Nc1ccncc1)[C@@H](C)c1ccccc1 ZINC000097234983 375543773 /nfs/dbraw/zinc/54/37/73/375543773.db2.gz USGKEDCJPLCDHO-ZIAGYGMSSA-N 0 3 283.375 2.802 50 0 CFAAHN CCn1c(C)nnc1CN[C@H]1CCCC[C@@H]1C(C)C ZINC000097096420 375517188 /nfs/dbraw/zinc/51/71/88/375517188.db2.gz QVJWLKXCBCVMEN-KGLIPLIRSA-N 0 3 264.417 2.911 50 0 CFAAHN CCn1c(CN[C@H](C)[C@@H]2CCCO2)nc2c1cccc2F ZINC000097111585 375523106 /nfs/dbraw/zinc/52/31/06/375523106.db2.gz XXLDGPYHDKWZDD-RISCZKNCSA-N 0 3 291.370 2.852 50 0 CFAAHN CCn1cc(CNC[C@](C)(O)c2ccccc2Cl)cn1 ZINC000097142201 375528746 /nfs/dbraw/zinc/52/87/46/375528746.db2.gz RLFJVIKVHKVCPO-HNNXBMFYSA-N 0 3 293.798 2.554 50 0 CFAAHN Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCCO2)c(F)c1 ZINC000097374157 375553077 /nfs/dbraw/zinc/55/30/77/375553077.db2.gz SQLKLBYKDLMPQA-HUBLWGQQSA-N 0 3 294.370 2.618 50 0 CFAAHN CN1CCCCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000097393971 375558218 /nfs/dbraw/zinc/55/82/18/375558218.db2.gz LLIVKKDOPCRFOM-OAHLLOKOSA-N 0 3 294.826 2.873 50 0 CFAAHN CSc1ccc(CN2CCC[C@H]2CCO)cc1 ZINC000097474884 375564473 /nfs/dbraw/zinc/56/44/73/375564473.db2.gz QLJPVAJTFDZAEO-ZDUSSCGKSA-N 0 3 251.395 2.755 50 0 CFAAHN C[C@@H](Cc1cnccn1)N(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000097522163 375568547 /nfs/dbraw/zinc/56/85/47/375568547.db2.gz DNYYHRAJWWCATQ-LBPRGKRZSA-N 0 3 297.362 2.523 50 0 CFAAHN C(=C\c1ccccc1)\CN1CCC[C@@H](Cn2cncn2)C1 ZINC000101138712 375634015 /nfs/dbraw/zinc/63/40/15/375634015.db2.gz PIPWJUQTLLYDKF-RLXIPRIJSA-N 0 3 282.391 2.704 50 0 CFAAHN C[C@H](NCC(C)(C)C(N)=O)c1ccc(Cl)s1 ZINC000134818786 378051133 /nfs/dbraw/zinc/05/11/33/378051133.db2.gz QJULAGKLCPISDP-ZETCQYMHSA-N 0 3 260.790 2.564 50 0 CFAAHN C[C@@H](CNCc1nnc2ccccn21)Cc1ccccc1 ZINC000153359672 378487350 /nfs/dbraw/zinc/48/73/50/378487350.db2.gz OCSGAOGRYDWASK-CQSZACIVSA-N 0 3 280.375 2.698 50 0 CFAAHN CCC(CC)(CC)S(=O)(=O)C(C)C(=O)NC(C)(C)C ZINC000170614029 379129661 /nfs/dbraw/zinc/12/96/61/379129661.db2.gz ZWZCNLZDABSHRY-NSHDSACASA-N 0 3 291.457 2.673 50 0 CFAAHN C[C@H](C(=O)NC1CCCC1)N1CCCC(C)(C)CC1 ZINC000170639833 379131942 /nfs/dbraw/zinc/13/19/42/379131942.db2.gz XRBGRPYEYKHOOS-CYBMUJFWSA-N 0 3 266.429 2.946 50 0 CFAAHN Cc1nc([C@H]2CCN(Cc3ccc(Cl)s3)C2)n[nH]1 ZINC000334636926 379677122 /nfs/dbraw/zinc/67/71/22/379677122.db2.gz HPQKBPGMVBBRLK-VIFPVBQESA-N 0 3 282.800 2.818 50 0 CFAAHN Cc1n[nH]c([C@H]2CCN(Cc3ccc(Cl)s3)C2)n1 ZINC000334636926 379677128 /nfs/dbraw/zinc/67/71/28/379677128.db2.gz HPQKBPGMVBBRLK-VIFPVBQESA-N 0 3 282.800 2.818 50 0 CFAAHN Cc1nnc([C@H]2CCN(Cc3ccc(Cl)s3)C2)[nH]1 ZINC000334636926 379677139 /nfs/dbraw/zinc/67/71/39/379677139.db2.gz HPQKBPGMVBBRLK-VIFPVBQESA-N 0 3 282.800 2.818 50 0 CFAAHN CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccoc1 ZINC000174938156 379965141 /nfs/dbraw/zinc/96/51/41/379965141.db2.gz RKTHXIPULPBSQI-MRXNPFEDSA-N 0 3 298.386 2.874 50 0 CFAAHN Cc1cccc(CCN2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000645778891 383743736 /nfs/dbraw/zinc/74/37/36/383743736.db2.gz KRVBWTQAUDLZGN-CQSZACIVSA-N 0 3 270.380 2.535 50 0 CFAAHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)CC(C)C ZINC000408520196 380938351 /nfs/dbraw/zinc/93/83/51/380938351.db2.gz SPUYJLUTPKPRQT-YOEHRIQHSA-N 0 3 290.407 2.732 50 0 CFAAHN NC(=O)[C@@H]1CN(Cc2ccccc2F)C[C@H]1c1ccccc1 ZINC000411992211 381086310 /nfs/dbraw/zinc/08/63/10/381086310.db2.gz ZXLHYKRVOPWZRC-JKSUJKDBSA-N 0 3 298.361 2.527 50 0 CFAAHN C[C@H](N[C@@H](C)[C@@H](c1ccccc1)N(C)C)c1cnccn1 ZINC000186321638 381881284 /nfs/dbraw/zinc/88/12/84/381881284.db2.gz RMXAWDIIWJKAFG-ZQIUZPCESA-N 0 3 284.407 2.819 50 0 CFAAHN CCN(Cc1ccncc1)Cc1ccc2c(c1)CNCCO2 ZINC000299791956 382049031 /nfs/dbraw/zinc/04/90/31/382049031.db2.gz DHXQVEKZFBCZBG-UHFFFAOYSA-N 0 3 297.402 2.586 50 0 CFAAHN FC(F)COCCN1CCS[C@@H]2CCCC[C@H]21 ZINC000189533350 382620780 /nfs/dbraw/zinc/62/07/80/382620780.db2.gz DFNTVXLDZGQFEA-GHMZBOCLSA-N 0 3 265.369 2.628 50 0 CFAAHN COC(=O)C1CCC(N[C@H](C)c2nc(C)cs2)CC1 ZINC000192441552 382708828 /nfs/dbraw/zinc/70/88/28/382708828.db2.gz IJZIDPVXKGSXHB-VOMCLLRMSA-N 0 3 282.409 2.834 50 0 CFAAHN Cc1ccc(CNC[C@@]2(O)CCSC2)cc1Cl ZINC000195445254 382767912 /nfs/dbraw/zinc/76/79/12/382767912.db2.gz YKEDZGNXISMFIY-ZDUSSCGKSA-N 0 3 271.813 2.606 50 0 CFAAHN COCc1nc2n(n1)CCC[C@@H]2NC1C[C@H](C)C[C@@H](C)C1 ZINC000221673010 382798670 /nfs/dbraw/zinc/79/86/70/382798670.db2.gz KOTGXINIQKHREC-BZPMIXESSA-N 0 3 292.427 2.674 50 0 CFAAHN Cc1ccc(/C=C\C(=O)Nc2ccc3c(c2)CNCC3)o1 ZINC000221929998 382800294 /nfs/dbraw/zinc/80/02/94/382800294.db2.gz GWHNJLDFBCFWHP-SREVYHEPSA-N 0 3 282.343 2.886 50 0 CFAAHN C[C@H](c1ccccc1)n1ccc(NC(=O)[C@@H]2CCCCN2)n1 ZINC000225489279 382817072 /nfs/dbraw/zinc/81/70/72/382817072.db2.gz FWOAEYFTRNHJQH-HIFRSBDPSA-N 0 3 298.390 2.573 50 0 CFAAHN C[C@H](c1ccccn1)N1CCN(C[C@H]2CCSC2)CC1 ZINC000225625398 382819497 /nfs/dbraw/zinc/81/94/97/382819497.db2.gz RUZBAPVPOBSOHI-HUUCEWRRSA-N 0 3 291.464 2.513 50 0 CFAAHN CC(=O)N1CCN(CCCCC2CCOCC2)C(C)(C)C1 ZINC000225628247 382819509 /nfs/dbraw/zinc/81/95/09/382819509.db2.gz AOTZZPAQWUZBPI-UHFFFAOYSA-N 0 3 296.455 2.526 50 0 CFAAHN C[C@H](C(=O)Nc1ccccc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000229571414 382852366 /nfs/dbraw/zinc/85/23/66/382852366.db2.gz ZTFTWPABVCSKJG-MGPQQGTHSA-N 0 3 260.381 2.992 50 0 CFAAHN C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H](c2ccccc2)C1 ZINC000229720205 382853245 /nfs/dbraw/zinc/85/32/45/382853245.db2.gz JQVZWPFQFLTYMJ-DZGCQCFKSA-N 0 3 274.408 2.779 50 0 CFAAHN CC(C)[C@H](N)C(=O)N(C)Cc1cccc2ccccc21 ZINC000236713995 382910514 /nfs/dbraw/zinc/91/05/14/382910514.db2.gz KHYHCJQGBOGAQQ-INIZCTEOSA-N 0 3 270.376 2.782 50 0 CFAAHN CCN(CC)CCSc1ncc(SC)cn1 ZINC000240900778 382982334 /nfs/dbraw/zinc/98/23/34/382982334.db2.gz ITUVBFCEWIPPBW-UHFFFAOYSA-N 0 3 257.428 2.632 50 0 CFAAHN O[C@H]1C[C@@H]([C@@H](NC2CCOCC2)c2ccc(F)cc2F)C1 ZINC000244794849 382993267 /nfs/dbraw/zinc/99/32/67/382993267.db2.gz QVBZMLBUTUNNCP-AKWBHNSASA-N 0 3 297.345 2.545 50 0 CFAAHN CCN1CCCC[C@H]1CNCc1ccnn1-c1ccccc1 ZINC000447936633 383031761 /nfs/dbraw/zinc/03/17/61/383031761.db2.gz QQEDWIBTDFKGBZ-KRWDZBQOSA-N 0 3 298.434 2.836 50 0 CFAAHN c1nnc(CNCC2CCSCC2)n1-c1ccccc1 ZINC000585117398 383114997 /nfs/dbraw/zinc/11/49/97/383114997.db2.gz AOHJIKJDBUYTMN-UHFFFAOYSA-N 0 3 288.420 2.500 50 0 CFAAHN CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000248088820 383210549 /nfs/dbraw/zinc/21/05/49/383210549.db2.gz BTNVJXOYUPKCPZ-LSDHHAIUSA-N 0 3 276.355 2.525 50 0 CFAAHN Cc1ncsc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247280106 383159493 /nfs/dbraw/zinc/15/94/93/383159493.db2.gz YNSNXIOEDSJHRC-YPMHNXCESA-N 0 3 276.409 2.731 50 0 CFAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000248159000 383215344 /nfs/dbraw/zinc/21/53/44/383215344.db2.gz WSMPWDFCLKOMTB-GHMZBOCLSA-N 0 3 282.771 2.632 50 0 CFAAHN COc1nnc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)[n-]1 ZINC000426510866 383403289 /nfs/dbraw/zinc/40/32/89/383403289.db2.gz QFXIVVDNXGVVQQ-NSHDSACASA-N 0 3 272.352 2.637 50 0 CFAAHN COc1n[n-]c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)n1 ZINC000426510866 383403293 /nfs/dbraw/zinc/40/32/93/383403293.db2.gz QFXIVVDNXGVVQQ-NSHDSACASA-N 0 3 272.352 2.637 50 0 CFAAHN CC(C)OCCN1CCC(Nc2ccc(F)cn2)CC1 ZINC000253415430 383455885 /nfs/dbraw/zinc/45/58/85/383455885.db2.gz CAKVSGFKUQJOCN-UHFFFAOYSA-N 0 3 281.375 2.522 50 0 CFAAHN O=C1N(C2CCCC2)CCC[C@@]12CCN(c1ccncc1)C2 ZINC000091779590 296352389 /nfs/dbraw/zinc/35/23/89/296352389.db2.gz ONZPMBWXFRDJDW-SFHVURJKSA-N 0 3 299.418 2.843 50 0 CFAAHN Cc1cnccc1CCN[C@@H](C)c1cn2ccccc2n1 ZINC000574531270 384112881 /nfs/dbraw/zinc/11/28/81/384112881.db2.gz OIKHKCASVIIHEL-AWEZNQCLSA-N 0 3 280.375 2.931 50 0 CFAAHN CC1(C)CN(CCn2cccn2)Cc2ccccc2O1 ZINC000289142568 197244854 /nfs/dbraw/zinc/24/48/54/197244854.db2.gz YQQPLKXNZZVNAN-UHFFFAOYSA-N 0 3 271.364 2.556 50 0 CFAAHN CSc1ccc(C)c(NC(=O)N2CCCN(C)CC2)c1 ZINC000272371178 385521092 /nfs/dbraw/zinc/52/10/92/385521092.db2.gz PMKGKLZGMRXNGI-UHFFFAOYSA-N 0 3 293.436 2.886 50 0 CFAAHN CCC[C@@]1(CO)CCN(CCOc2cccc(C)c2)C1 ZINC000288861415 197181133 /nfs/dbraw/zinc/18/11/33/197181133.db2.gz PVOONUMUCSQYGO-QGZVFWFLSA-N 0 3 277.408 2.858 50 0 CFAAHN O[C@@H](CNCc1ccccc1)COc1ccccc1Cl ZINC000032151741 393511509 /nfs/dbraw/zinc/51/15/09/393511509.db2.gz UNZUVLQKBIFXJL-AWEZNQCLSA-N 0 3 291.778 2.870 50 0 CFAAHN Fc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000080959208 393728991 /nfs/dbraw/zinc/72/89/91/393728991.db2.gz YFZXRQCAYFYJIV-CYBMUJFWSA-N 0 3 259.328 2.928 50 0 CFAAHN CCO[C@H](C)CN(C)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091350489 393783082 /nfs/dbraw/zinc/78/30/82/393783082.db2.gz WSFPALHCQNIBDS-CYBMUJFWSA-N 0 3 288.391 2.693 50 0 CFAAHN CC[C@H](C)CN1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000242292592 393798092 /nfs/dbraw/zinc/79/80/92/393798092.db2.gz YNODHIQYWCWQLK-STQMWFEESA-N 0 3 254.418 2.802 50 0 CFAAHN CC(C)n1ncc2ccc(NC(=O)C3(N)CCCC3)cc21 ZINC000095971088 393814734 /nfs/dbraw/zinc/81/47/34/393814734.db2.gz UITXXWXWKBLBAF-UHFFFAOYSA-N 0 3 286.379 2.827 50 0 CFAAHN c1ccc(O[C@@H]2CCN(Cc3ccncc3)C2)cc1 ZINC000096424687 393829407 /nfs/dbraw/zinc/82/94/07/393829407.db2.gz VPROFXVMXMFZRW-MRXNPFEDSA-N 0 3 254.333 2.735 50 0 CFAAHN CC(C)(C)c1n[nH]cc1CNC[C@@H]1COc2ccccc21 ZINC000342437398 393865771 /nfs/dbraw/zinc/86/57/71/393865771.db2.gz JERFSUQAGFIMPV-CYBMUJFWSA-N 0 3 285.391 2.973 50 0 CFAAHN COCCN(Cc1ccsc1)C[C@@H]1CCCCN1C ZINC000252496811 393936073 /nfs/dbraw/zinc/93/60/73/393936073.db2.gz PSEPTTPLRUTHIH-HNNXBMFYSA-N 0 3 282.453 2.681 50 0 CFAAHN CC[C@@H]1c2ccsc2CCN1CCC(=O)N(C)C ZINC000170607729 394371584 /nfs/dbraw/zinc/37/15/84/394371584.db2.gz RJWPONFYQFTBAG-GFCCVEGCSA-N 0 3 266.410 2.536 50 0 CFAAHN C[C@@H]1C[C@H](C)CN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000007811387 397537199 /nfs/dbraw/zinc/53/71/99/397537199.db2.gz SNKAHQFFCQFZRX-BETUJISGSA-N 0 3 294.826 2.934 50 0 CFAAHN CSc1ccccc1NC(=O)NCCCN1CC=CC1 ZINC000101533040 397593400 /nfs/dbraw/zinc/59/34/00/397593400.db2.gz QRQAAFQAJNYOME-UHFFFAOYSA-N 0 3 291.420 2.792 50 0 CFAAHN c1ccc(-c2nc3ccccc3nc2N2CCNCC2)cc1 ZINC000004740931 296611783 /nfs/dbraw/zinc/61/17/83/296611783.db2.gz LGRQNICAVNEQAM-UHFFFAOYSA-N 0 3 290.370 2.706 50 0 CFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1C ZINC000239782585 292354311 /nfs/dbraw/zinc/35/43/11/292354311.db2.gz CPLGFGVZGNQBRG-LGWLGOQQSA-N 0 3 284.403 2.785 50 0 CFAAHN COc1ccc(CC[C@@H]2NCCn3cccc32)cc1 ZINC000003141337 169859988 /nfs/dbraw/zinc/85/99/88/169859988.db2.gz KVOHIVXSRDIIOT-HNNXBMFYSA-N 0 3 256.349 2.774 50 0 CFAAHN COc1ccc(-c2cc(CN3CCCC3)on2)cc1 ZINC000004776606 170015363 /nfs/dbraw/zinc/01/53/63/170015363.db2.gz VTVCMJCBSFONSC-UHFFFAOYSA-N 0 3 258.321 2.946 50 0 CFAAHN CC(=O)c1ccc(OCCN2CCC[C@@H](C)C2)cc1 ZINC000004842826 170028987 /nfs/dbraw/zinc/02/89/87/170028987.db2.gz PJQLVHHZYRUUSX-CYBMUJFWSA-N 0 3 261.365 3.000 50 0 CFAAHN C[C@@H](NC(=O)[C@H](C)N1CCCCC1)c1ccccc1 ZINC000005014217 170055834 /nfs/dbraw/zinc/05/58/34/170055834.db2.gz JDSHDPXJSYUYKA-KGLIPLIRSA-N 0 3 260.381 2.738 50 0 CFAAHN CCN(CC)CCn1cnc2c([nH]c3cccc(C)c32)c1=O ZINC000005478052 170103142 /nfs/dbraw/zinc/10/31/42/170103142.db2.gz YEJDPPLOIDWKIO-UHFFFAOYSA-N 0 3 298.390 2.528 50 0 CFAAHN Clc1ccc(-c2n[nH]cc2CNC[C@H]2CCCO2)cc1 ZINC000006188204 170181557 /nfs/dbraw/zinc/18/15/57/170181557.db2.gz XRJOEVXXQAEBBS-CQSZACIVSA-N 0 3 291.782 2.999 50 0 CFAAHN C[C@@H]1CCCN(CCCOc2cccc(C=O)c2)C1 ZINC000006701182 170229309 /nfs/dbraw/zinc/22/93/09/170229309.db2.gz KUVCDVPQSDZEOX-CQSZACIVSA-N 0 3 261.365 3.000 50 0 CFAAHN O=C(NCCN1CCCCC1)c1cccc(Cl)c1 ZINC000006861988 170250563 /nfs/dbraw/zinc/25/05/63/170250563.db2.gz KADYKPZFCWZMDB-UHFFFAOYSA-N 0 3 266.772 2.556 50 0 CFAAHN OCCCNCc1cccc(OCc2ccc(F)cc2)c1 ZINC000006888881 170253254 /nfs/dbraw/zinc/25/32/54/170253254.db2.gz LVCAHTSTCAHNNS-UHFFFAOYSA-N 0 3 289.350 2.877 50 0 CFAAHN CN(C)Cc1ccccc1CNC(=O)c1ccccc1F ZINC000006992983 170260806 /nfs/dbraw/zinc/26/08/06/170260806.db2.gz YTFHKNRDUFSQKN-UHFFFAOYSA-N 0 3 286.350 2.817 50 0 CFAAHN C[C@H](C(=O)NCc1ccc(F)cc1)N1CCCCCC1 ZINC000008119206 170319690 /nfs/dbraw/zinc/31/96/90/170319690.db2.gz RALWARFFRPIQML-CYBMUJFWSA-N 0 3 278.371 2.706 50 0 CFAAHN CCOc1cc(CNCCOC)cc(Cl)c1OCC ZINC000008253889 170327568 /nfs/dbraw/zinc/32/75/68/170327568.db2.gz MKGMVENDYJRYFW-UHFFFAOYSA-N 0 3 287.787 2.873 50 0 CFAAHN CC[C@@H](C)NCc1ccc(OC)c(OC)c1OC ZINC000008325990 170331345 /nfs/dbraw/zinc/33/13/45/170331345.db2.gz FZNBOSABXAFSRR-SNVBAGLBSA-N 0 3 253.342 2.601 50 0 CFAAHN CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OC ZINC000008327019 170331425 /nfs/dbraw/zinc/33/14/25/170331425.db2.gz XXLYJCGNCWRMOB-LLVKDONJSA-N 0 3 287.787 2.608 50 0 CFAAHN CC[C@H](C)NCc1ccc(OC)c(OC)c1OC ZINC000008326740 170331498 /nfs/dbraw/zinc/33/14/98/170331498.db2.gz FZNBOSABXAFSRR-JTQLQIEISA-N 0 3 253.342 2.601 50 0 CFAAHN Cc1ccc(C)c([C@@H]2NC(=N)Nc3nc4ccccc4n32)c1 ZINC000009477586 170377812 /nfs/dbraw/zinc/37/78/12/170377812.db2.gz DZBWTAFXNALEIZ-OAHLLOKOSA-N 0 3 291.358 2.749 50 0 CFAAHN Cc1ccc(C)c([C@H]2NC(=N)Nc3nc4ccccc4n32)c1 ZINC000009477588 170377920 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YKBUWQVJFFGUKY-OAHLLOKOSA-N 0 3 263.287 2.788 50 0 CFAAHN CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000038526002 372774750 /nfs/dbraw/zinc/77/47/50/372774750.db2.gz YPKLXEHKFHQREX-UHFFFAOYSA-N 0 3 258.287 2.847 50 0 CFAAHN CC[C@@H](CO)NCc1ccc(OC(C)C)c(Cl)c1 ZINC000040731054 372784428 /nfs/dbraw/zinc/78/44/28/372784428.db2.gz UDIKASCKNYYOML-LBPRGKRZSA-N 0 3 271.788 2.988 50 0 CFAAHN NC(=O)c1cccc(CN(Cc2ccccc2)C2CC2)c1 ZINC000047461727 373096199 /nfs/dbraw/zinc/09/61/99/373096199.db2.gz WMEGRPRWQQRFQJ-UHFFFAOYSA-N 0 3 280.371 2.950 50 0 CFAAHN CC1CCN(CCNC(=O)c2c(F)cccc2Cl)CC1 ZINC000046955727 373073072 /nfs/dbraw/zinc/07/30/72/373073072.db2.gz SKAQNYDUIKNSBN-UHFFFAOYSA-N 0 3 298.789 2.941 50 0 CFAAHN C[C@H](C(=O)N1CCC(C)CC1)N1C[C@H](C)C[C@H](C)C1 ZINC000048614553 373208314 /nfs/dbraw/zinc/20/83/14/373208314.db2.gz VFLYNYHINWGPMG-QLFBSQMISA-N 0 3 266.429 2.611 50 0 CFAAHN CN(Cc1nc(-c2cccnc2)no1)C(C1CC1)C1CC1 ZINC000051558042 373401372 /nfs/dbraw/zinc/40/13/72/373401372.db2.gz 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CFAAHN COc1ccccc1-n1ccnc1C1CCN(C)CC1 ZINC000067725594 373996187 /nfs/dbraw/zinc/99/61/87/373996187.db2.gz HUQKAEYBZNAXAD-UHFFFAOYSA-N 0 3 271.364 2.690 50 0 CFAAHN CCCOc1ccccc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000067783658 374002695 /nfs/dbraw/zinc/00/26/95/374002695.db2.gz OPPYCYCTGWSONI-AWEZNQCLSA-N 0 3 290.407 2.547 50 0 CFAAHN Cc1ccc(-c2ccc(C(=O)NC[C@H]3CCN(C)C3)o2)cc1 ZINC000067885187 374012182 /nfs/dbraw/zinc/01/21/82/374012182.db2.gz MUMZJRDBUNKYCR-CQSZACIVSA-N 0 3 298.386 2.937 50 0 CFAAHN c1cc(-c2noc3c2CN(CC2CC2)CC3)cc2c1OCO2 ZINC000067920637 374016228 /nfs/dbraw/zinc/01/62/28/374016228.db2.gz SPBPCHQJTFPHCP-UHFFFAOYSA-N 0 3 298.342 2.838 50 0 CFAAHN CN(CCC1(O)CCCC1)Cc1ccc(-n2ccnc2)cc1 ZINC000067983037 374020424 /nfs/dbraw/zinc/02/04/24/374020424.db2.gz QZBSETDSLOSAMX-UHFFFAOYSA-N 0 3 299.418 2.999 50 0 CFAAHN CCOCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000067231169 373973643 /nfs/dbraw/zinc/97/36/43/373973643.db2.gz LSJYDGDEDWGJMD-AWEZNQCLSA-N 0 3 277.364 2.631 50 0 CFAAHN C[C@@H](Cn1cnc2ccccc2c1=O)NCC1=CCCCC1 ZINC000067676146 373992539 /nfs/dbraw/zinc/99/25/39/373992539.db2.gz JBUCUSMLCXTWEG-AWEZNQCLSA-N 0 3 297.402 2.875 50 0 CFAAHN CCCCO[C@@H](C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000068541301 374031952 /nfs/dbraw/zinc/03/19/52/374031952.db2.gz DYSFQLXGFNIKSX-AWEZNQCLSA-N 0 3 292.423 2.570 50 0 CFAAHN COc1cccc(CN2CCC[C@H]2Cn2cccn2)c1 ZINC000069629900 374080764 /nfs/dbraw/zinc/08/07/64/374080764.db2.gz BTVPTPOERREMAG-HNNXBMFYSA-N 0 3 271.364 2.556 50 0 CFAAHN Clc1ccccc1CN1CCC[C@@H](C2OCCO2)C1 ZINC000069420188 374062504 /nfs/dbraw/zinc/06/25/04/374062504.db2.gz NCOGKCXHTUOPRN-CYBMUJFWSA-N 0 3 281.783 2.925 50 0 CFAAHN CCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)o1 ZINC000069455518 374065457 /nfs/dbraw/zinc/06/54/57/374065457.db2.gz RCZGJLQXXAMNCH-KBPBESRZSA-N 0 3 276.380 2.541 50 0 CFAAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2cccnc2C)c1 ZINC000069454110 374065583 /nfs/dbraw/zinc/06/55/83/374065583.db2.gz ATKQSPUFMOGDKV-OCCSQVGLSA-N 0 3 258.369 2.634 50 0 CFAAHN Cc1cnn([C@H](C)[C@H](C)NCc2cccnc2C)c1 ZINC000069454115 374066377 /nfs/dbraw/zinc/06/63/77/374066377.db2.gz ATKQSPUFMOGDKV-GXTWGEPZSA-N 0 3 258.369 2.634 50 0 CFAAHN CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnc(C)s1 ZINC000069491723 374068612 /nfs/dbraw/zinc/06/86/12/374068612.db2.gz MDALECPGBHVTDH-OLZOCXBDSA-N 0 3 293.436 2.540 50 0 CFAAHN CCn1nc(C)c(CN[C@H](C)[C@@H](C)n2cc(C)cn2)c1C ZINC000069511621 374070100 /nfs/dbraw/zinc/07/01/00/374070100.db2.gz JRGJRRPPLOPTEZ-TZMCWYRMSA-N 0 3 289.427 2.764 50 0 CFAAHN CCOC1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000069517101 374070232 /nfs/dbraw/zinc/07/02/32/374070232.db2.gz GBBUUSXNHWXLBS-UHFFFAOYSA-N 0 3 285.391 2.873 50 0 CFAAHN CCN1CCCN(C(=O)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000069530537 374072977 /nfs/dbraw/zinc/07/29/77/374072977.db2.gz XTABLQRJHUKUMH-CQSZACIVSA-N 0 3 292.398 2.874 50 0 CFAAHN Cc1cc(C)n(C[C@H]2CCCN2CCc2ccncc2)n1 ZINC000069920706 374109697 /nfs/dbraw/zinc/10/96/97/374109697.db2.gz WJZMXNMLQARXMN-QGZVFWFLSA-N 0 3 284.407 2.602 50 0 CFAAHN CCOCCN1CCN(CCc2cccs2)C[C@H]1CC ZINC000070008498 374114877 /nfs/dbraw/zinc/11/48/77/374114877.db2.gz FSOOLDVSJWOUIP-OAHLLOKOSA-N 0 3 296.480 2.723 50 0 CFAAHN Cc1ccsc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C ZINC000069667698 374085000 /nfs/dbraw/zinc/08/50/00/374085000.db2.gz IOVKTXOJMHETEC-QWHCGFSZSA-N 0 3 278.421 2.755 50 0 CFAAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2cnn(C(C)(C)C)c2)c1 ZINC000069818297 374102037 /nfs/dbraw/zinc/10/20/37/374102037.db2.gz SUTGPXWJDWWWHH-KGLIPLIRSA-N 0 3 289.427 2.882 50 0 CFAAHN CCN1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC000069817254 374103282 /nfs/dbraw/zinc/10/32/82/374103282.db2.gz LXGNMUJGSBKDCS-UHFFFAOYSA-N 0 3 285.391 2.644 50 0 CFAAHN COc1ccc(CN[C@H]2CCC[C@H](OC)C2)c(OC)c1 ZINC000070327998 374166067 /nfs/dbraw/zinc/16/60/67/374166067.db2.gz SZSWWPXNLYBMPL-KBPBESRZSA-N 0 3 279.380 2.751 50 0 CFAAHN CC[C@@H](COC)NCc1ccc(Br)cc1 ZINC000070656234 374200938 /nfs/dbraw/zinc/20/09/38/374200938.db2.gz QXXVVIIORXSBES-LBPRGKRZSA-N 0 3 272.186 2.964 50 0 CFAAHN CN1CC[C@H]2CC[C@@H](C1)N2c1nccc(C2CCCC2)n1 ZINC000071775499 374224178 /nfs/dbraw/zinc/22/41/78/374224178.db2.gz KGUJUBJPYYASRA-CABCVRRESA-N 0 3 286.423 2.807 50 0 CFAAHN Cc1cc2nc(C(C)C)cc(NCCN3CCCC3)n2n1 ZINC000072419618 374249878 /nfs/dbraw/zinc/24/98/78/374249878.db2.gz WKLWNQVZRDYBAH-UHFFFAOYSA-N 0 3 287.411 2.669 50 0 CFAAHN C[C@H](CN1CC2(CCN(C)CC2)OC1=O)c1ccccc1 ZINC000072479447 374256047 /nfs/dbraw/zinc/25/60/47/374256047.db2.gz HQUUFBWPUDNFQA-CQSZACIVSA-N 0 3 288.391 2.707 50 0 CFAAHN Clc1cc(N2CCN3CCCC[C@@H]3C2)nc2[nH]ccc21 ZINC000072122410 374233509 /nfs/dbraw/zinc/23/35/09/374233509.db2.gz BHQGOEHACDRTQK-LLVKDONJSA-N 0 3 290.798 2.891 50 0 CFAAHN Cc1nc(C)n(C[C@@H]2CCCN2[C@@H](C)c2cccnc2)n1 ZINC000072253264 374237871 /nfs/dbraw/zinc/23/78/71/374237871.db2.gz ADJDLQBEQVLNMY-LRDDRELGSA-N 0 3 285.395 2.516 50 0 CFAAHN NC(=O)c1cccc(CNC/C=C/c2ccccc2)c1 ZINC000075126853 374459841 /nfs/dbraw/zinc/45/98/41/374459841.db2.gz WPVVQMYLNHBDRH-WEVVVXLNSA-N 0 3 266.344 2.589 50 0 CFAAHN CC(C)NC(=O)CN1CC[C@H](CSc2ccccc2)C1 ZINC000078947809 374577330 /nfs/dbraw/zinc/57/73/30/374577330.db2.gz DBIHKCFONIKANW-AWEZNQCLSA-N 0 3 292.448 2.625 50 0 CFAAHN C(=C/c1ccccc1)\CN1CCC(c2nnc[nH]2)CC1 ZINC000083442853 374745962 /nfs/dbraw/zinc/74/59/62/374745962.db2.gz JTMCJYCXDNVRKE-QPJJXVBHSA-N 0 3 268.364 2.698 50 0 CFAAHN Cc1nn(C)c2ncc(CN3CCCCCC3)cc12 ZINC000084067801 374763031 /nfs/dbraw/zinc/76/30/31/374763031.db2.gz CJOFNTQRCBKRKW-UHFFFAOYSA-N 0 3 258.369 2.653 50 0 CFAAHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cccc(F)c1 ZINC000083704387 374753914 /nfs/dbraw/zinc/75/39/14/374753914.db2.gz KGQDKQBTTVUIMI-CZUORRHYSA-N 0 3 262.372 2.884 50 0 CFAAHN C[C@@](O)(COc1ccccc1)NCc1ccccc1 ZINC000087489362 374824065 /nfs/dbraw/zinc/82/40/65/374824065.db2.gz TZROMNDVUPWEQN-MRXNPFEDSA-N 0 3 257.333 2.564 50 0 CFAAHN CC(C)=CC(=O)N(CCN(C)C)Cc1cccs1 ZINC000084251605 374772707 /nfs/dbraw/zinc/77/27/07/374772707.db2.gz APRWFVJHDPMHNY-UHFFFAOYSA-N 0 3 266.410 2.605 50 0 CFAAHN c1ccc(OCCN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000084556831 374782022 /nfs/dbraw/zinc/78/20/22/374782022.db2.gz NQCQSUFEBHVVPU-QGZVFWFLSA-N 0 3 284.359 2.614 50 0 CFAAHN CC[C@H](C)CN1CCCC[C@@H]1C(=O)NC(C)(C)C ZINC000088519720 374848973 /nfs/dbraw/zinc/84/89/73/374848973.db2.gz YNODHIQYWCWQLK-QWHCGFSZSA-N 0 3 254.418 2.802 50 0 CFAAHN OCc1ccc(CNC[C@@H]2C[C@@]23CCc2ccccc23)o1 ZINC000088745154 374862387 /nfs/dbraw/zinc/86/23/87/374862387.db2.gz GJIMEHIKKVAMKT-KSSFIOAISA-N 0 3 283.371 2.766 50 0 CFAAHN CC(C)(C)OC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000089893070 374964913 /nfs/dbraw/zinc/96/49/13/374964913.db2.gz QNTPKGBPNCLZIX-CQSZACIVSA-N 0 3 292.379 2.600 50 0 CFAAHN Cc1ccc(O)c(CN(C)[C@H](CCO)c2ccccc2)n1 ZINC000093442405 375238626 /nfs/dbraw/zinc/23/86/26/375238626.db2.gz XAQKQRQJZFAHJK-MRXNPFEDSA-N 0 3 286.375 2.651 50 0 CFAAHN CN(CCc1cccs1)C(=O)C[C@@H](N)c1ccccc1 ZINC000093289434 375204145 /nfs/dbraw/zinc/20/41/45/375204145.db2.gz WTSSQRQHCIHIQV-OAHLLOKOSA-N 0 3 288.416 2.839 50 0 CFAAHN CCO[C@@H]1C[C@H](N(C)Cc2cnc[nH]2)C12CCCC2 ZINC000093611038 375275195 /nfs/dbraw/zinc/27/51/95/375275195.db2.gz PMYFAPUPXBFQFA-UONOGXRCSA-N 0 3 263.385 2.579 50 0 CFAAHN CCc1nn(C)c(CC)c1CN[C@H]1CCCC[C@@H]1OC ZINC000095988285 375464478 /nfs/dbraw/zinc/46/44/78/375464478.db2.gz UMXCCXSXAGKWHK-HOCLYGCPSA-N 0 3 279.428 2.592 50 0 CFAAHN CN1CCCC[C@H]1CCn1sc2ccccc2c1=O ZINC000095367734 375421093 /nfs/dbraw/zinc/42/10/93/375421093.db2.gz NCZJNUUEPTZSLN-LBPRGKRZSA-N 0 3 276.405 2.937 50 0 CFAAHN c1ccc(CN2C[C@H]3CC[C@H](CN3CC3CCC3)C2)nc1 ZINC000095375405 375425692 /nfs/dbraw/zinc/42/56/92/375425692.db2.gz XYLQTHBEWCDFOD-FUHWJXTLSA-N 0 3 285.435 2.778 50 0 CFAAHN C[C@H](CCn1cncn1)NCc1cnc(C2CCC2)s1 ZINC000095415540 375437659 /nfs/dbraw/zinc/43/76/59/375437659.db2.gz XRAKOPMSRZVSQW-LLVKDONJSA-N 0 3 291.424 2.571 50 0 CFAAHN COc1ccc(Cl)cc1[C@@H](C)N[C@@H](C)Cn1cncn1 ZINC000095421207 375440153 /nfs/dbraw/zinc/44/01/53/375440153.db2.gz KKKMTANBOGKWRZ-WDEREUQCSA-N 0 3 294.786 2.679 50 0 CFAAHN COc1ccc(C)cc1[C@@H](C)NCCCn1cccn1 ZINC000095419814 375440577 /nfs/dbraw/zinc/44/05/77/375440577.db2.gz BMJDKTJTGKRCAI-CQSZACIVSA-N 0 3 273.380 2.941 50 0 CFAAHN CCC(=O)N1CC[C@H](N[C@H]2CCSc3ccccc32)C1 ZINC000095423884 375441885 /nfs/dbraw/zinc/44/18/85/375441885.db2.gz LKNXMXOIHJXBOS-JSGCOSHPSA-N 0 3 290.432 2.824 50 0 CFAAHN Cc1noc(C)c1CN[C@H](C)C[C@H](O)c1cccs1 ZINC000095448928 375454058 /nfs/dbraw/zinc/45/40/58/375454058.db2.gz UNSCPEMUDCKODQ-RNCFNFMXSA-N 0 3 280.393 2.955 50 0 CFAAHN O[C@H](CN1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000097200607 375537044 /nfs/dbraw/zinc/53/70/44/375537044.db2.gz JNOIPYNYOJXYSP-NVXWUHKLSA-N 0 3 297.402 2.549 50 0 CFAAHN Cc1cc2cc(NC(=O)N3CCCN(C)CC3)ccc2[nH]1 ZINC000097052073 375504579 /nfs/dbraw/zinc/50/45/79/375504579.db2.gz DGNLQTIHEFQJAE-UHFFFAOYSA-N 0 3 286.379 2.646 50 0 CFAAHN Cc1nc2ccccc2c(N2CCC(CC(N)=O)CC2)c1C ZINC000097085919 375513541 /nfs/dbraw/zinc/51/35/41/375513541.db2.gz YVVFONNIIMPRBY-UHFFFAOYSA-N 0 3 297.402 2.943 50 0 CFAAHN CNC(=O)[C@H]1CCCN(c2c(C)c(C)nc3ccccc32)C1 ZINC000097085952 375513879 /nfs/dbraw/zinc/51/38/79/375513879.db2.gz WTJJLWFOCOXCOK-AWEZNQCLSA-N 0 3 297.402 2.814 50 0 CFAAHN CC(=O)Nc1ccccc1CN1CCCSCC1 ZINC000097113625 375524261 /nfs/dbraw/zinc/52/42/61/375524261.db2.gz APJRXRACOKYHCJ-UHFFFAOYSA-N 0 3 264.394 2.584 50 0 CFAAHN C[C@H](c1ccc(-c2cc(N(C)C)ncn2)cc1)N(C)C ZINC000097307806 375548974 /nfs/dbraw/zinc/54/89/74/375548974.db2.gz VPRYATVEKIJAHU-GFCCVEGCSA-N 0 3 270.380 2.832 50 0 CFAAHN O=C1OCC2(CCN(C/C=C/c3ccc(F)cc3)CC2)O1 ZINC000097370384 375552431 /nfs/dbraw/zinc/55/24/31/375552431.db2.gz SGFRURYNIFJKNM-OWOJBTEDSA-N 0 3 291.322 2.840 50 0 CFAAHN CC(C)=CCN[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000097373689 375553313 /nfs/dbraw/zinc/55/33/13/375553313.db2.gz FGNLALSNYRWRID-YOEHRIQHSA-N 0 3 251.395 2.662 50 0 CFAAHN CC(C)OC[C@H](O)CN(Cc1ccco1)C1CCCC1 ZINC000097475734 375565269 /nfs/dbraw/zinc/56/52/69/375565269.db2.gz RRYQYYVUFIGNSW-OAHLLOKOSA-N 0 3 281.396 2.810 50 0 CFAAHN C(=C\c1ccco1)\CNC[C@H]1Cc2ccccc2O1 ZINC000098059538 375597267 /nfs/dbraw/zinc/59/72/67/375597267.db2.gz BSUMRVOZSDYEGS-OMVNSRBRSA-N 0 3 255.317 2.886 50 0 CFAAHN Cc1ccc(N2C(=O)C[C@H](NC3CCCCC3)C2=O)cc1 ZINC000100583577 375625178 /nfs/dbraw/zinc/62/51/78/375625178.db2.gz AOJWIARIDZFUIS-HNNXBMFYSA-N 0 3 286.375 2.549 50 0 CFAAHN CN1[C@@H]2CCC[C@H]1C[C@H](N1C(=O)Cc3ccccc31)C2 ZINC000100017768 375611998 /nfs/dbraw/zinc/61/19/98/375611998.db2.gz GIDZCNCCCWFCIN-QDMKHBRRSA-N 0 3 270.376 2.591 50 0 in-vitro CFAAHN CC(C)N(C(=O)C[C@@H](N)c1ccccc1)C1CCC1 ZINC000119247743 376378817 /nfs/dbraw/zinc/37/88/17/376378817.db2.gz RZYSVQNQOHMGOQ-OAHLLOKOSA-N 0 3 260.381 2.866 50 0 CFAAHN Cc1ccc(CN2CCC(Nc3cccnn3)CC2)s1 ZINC000120288447 376585020 /nfs/dbraw/zinc/58/50/20/376585020.db2.gz GGFWMOQKQDZUGB-UHFFFAOYSA-N 0 3 288.420 2.923 50 0 CFAAHN COC(=O)CCN1CCCC[C@@H]1c1ccc(C)o1 ZINC000130954378 377638005 /nfs/dbraw/zinc/63/80/05/377638005.db2.gz KRRPPPAONMUOLR-GFCCVEGCSA-N 0 3 251.326 2.678 50 0 CFAAHN Cc1cc(Cl)ccc1CN1CC[C@H]([C@@H](C)O)C1 ZINC000136898014 378212325 /nfs/dbraw/zinc/21/23/25/378212325.db2.gz VMAMOKVKDSNLMQ-YPMHNXCESA-N 0 3 253.773 2.851 50 0 CFAAHN Cc1cc(Cl)ccc1CN1CC[C@@H]([C@@H](C)O)C1 ZINC000136898059 378212817 /nfs/dbraw/zinc/21/28/17/378212817.db2.gz VMAMOKVKDSNLMQ-DGCLKSJQSA-N 0 3 253.773 2.851 50 0 CFAAHN O[C@H](CN1CCCN(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000145715404 378250481 /nfs/dbraw/zinc/25/04/81/378250481.db2.gz OUQCGNWQPNRZLX-MRXNPFEDSA-N 0 3 294.826 2.544 50 0 CFAAHN CC1(C)CCCN(CCNCc2cc(C(N)=O)cs2)C1 ZINC000331311813 378666899 /nfs/dbraw/zinc/66/68/99/378666899.db2.gz ZOGMSLYRGVYLMU-UHFFFAOYSA-N 0 3 295.452 2.843 50 0 CFAAHN C[C@H](CNCc1nc(-c2ccccc2)c[nH]1)Cn1ccnc1 ZINC000170085176 379116437 /nfs/dbraw/zinc/11/64/37/379116437.db2.gz IKDNMCUJKJNFTQ-CQSZACIVSA-N 0 3 295.390 2.699 50 0 CFAAHN O[C@H](CN1CCc2ccccc2C1)c1cccc(F)c1 ZINC000048543938 412908166 /nfs/dbraw/zinc/90/81/66/412908166.db2.gz TXSBXAHMPGSIFX-QGZVFWFLSA-N 0 3 271.335 2.917 50 0 CFAAHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccoc1 ZINC000174938138 379964909 /nfs/dbraw/zinc/96/49/09/379964909.db2.gz RKTHXIPULPBSQI-INIZCTEOSA-N 0 3 298.386 2.874 50 0 CFAAHN CC[C@H](N[C@@H](C)C[S@](C)=O)c1cccc(F)c1 ZINC000186843929 382029001 /nfs/dbraw/zinc/02/90/01/382029001.db2.gz DUDUSDFHHWCIOA-SVKFGRERSA-N 0 3 257.374 2.633 50 0 CFAAHN Cc1cnn(CCN2Cc3ccccc3OC(C)(C)C2)c1 ZINC000344104094 382131755 /nfs/dbraw/zinc/13/17/55/382131755.db2.gz GOFVIFLYYQNXGU-UHFFFAOYSA-N 0 3 285.391 2.865 50 0 CFAAHN Cc1cc(CNC2CCCCC2)nc(N2CCCC2)n1 ZINC000293624266 382201400 /nfs/dbraw/zinc/20/14/00/382201400.db2.gz JVZKGTNSFQHOFO-UHFFFAOYSA-N 0 3 274.412 2.808 50 0 CFAAHN NC(=O)[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1F ZINC000189474548 382613596 /nfs/dbraw/zinc/61/35/96/382613596.db2.gz HZYUJJFVKAFJDC-AAEUAGOBSA-N 0 3 284.762 2.613 50 0 CFAAHN CCN1CCN(c2cccc(NCc3cccnc3)c2)CC1 ZINC000191885970 382703077 /nfs/dbraw/zinc/70/30/77/382703077.db2.gz HYMQJPLKAKADEY-UHFFFAOYSA-N 0 3 296.418 2.836 50 0 CFAAHN Cc1cc(-n2ccnc2)ccc1CN(C)CCn1cccn1 ZINC000192019454 382704254 /nfs/dbraw/zinc/70/42/54/382704254.db2.gz IKWIPUGXPDEQMX-UHFFFAOYSA-N 0 3 295.390 2.509 50 0 CFAAHN CN1C(=O)C[C@H](NCCCF)[C@@H]1c1ccc(Cl)cc1 ZINC000192159728 382705178 /nfs/dbraw/zinc/70/51/78/382705178.db2.gz QBRWSCLSIYPEJN-JSGCOSHPSA-N 0 3 284.762 2.561 50 0 CFAAHN C[C@@H](NCCOC[C@H]1CCCO1)c1ccsc1 ZINC000195540830 382769239 /nfs/dbraw/zinc/76/92/39/382769239.db2.gz MKGFPFLHOCBDIP-DGCLKSJQSA-N 0 3 255.383 2.594 50 0 CFAAHN Fc1ccc(/C=C/CN2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000215172818 382778100 /nfs/dbraw/zinc/77/81/00/382778100.db2.gz UPZOSYYMJVRYIQ-YOUVMVQBSA-N 0 3 286.354 2.837 50 0 CFAAHN Cc1ncc(CN(C)Cc2cccc3cccnc32)[nH]1 ZINC000215403162 382778320 /nfs/dbraw/zinc/77/83/20/382778320.db2.gz MVMVUJZRRGXUME-UHFFFAOYSA-N 0 3 266.348 2.898 50 0 CFAAHN Cn1cncc1CN1CCC[C@@H](c2ccccc2)C1 ZINC000215465978 382779281 /nfs/dbraw/zinc/77/92/81/382779281.db2.gz JXEUCXMMUYIJED-OAHLLOKOSA-N 0 3 255.365 2.800 50 0 CFAAHN CN(CCc1cnn(C)c1)Cc1ccc2ccccc2n1 ZINC000215528645 382779302 /nfs/dbraw/zinc/77/93/02/382779302.db2.gz IVPIHNYTPNTULS-UHFFFAOYSA-N 0 3 280.375 2.643 50 0 CFAAHN CO[C@@H]1CCCN(Cc2ccc3ccn(C)c3c2)C1 ZINC000215976584 382781234 /nfs/dbraw/zinc/78/12/34/382781234.db2.gz QWFGKRYLMOBPMM-OAHLLOKOSA-N 0 3 258.365 2.789 50 0 CFAAHN Cc1ccc(-c2ccccc2CN2CC[C@@H](O)C2)o1 ZINC000216273503 382782536 /nfs/dbraw/zinc/78/25/36/382782536.db2.gz FKBXDIWEPQEGDY-CQSZACIVSA-N 0 3 257.333 2.822 50 0 CFAAHN CC(C)Cc1ccc(CN(C)C[C@H]2COCCO2)s1 ZINC000216257146 382782605 /nfs/dbraw/zinc/78/26/05/382782605.db2.gz VCQODIKTFMSTJR-ZDUSSCGKSA-N 0 3 283.437 2.794 50 0 CFAAHN COc1ccc(CN2CCCC[C@H]2CCCO)c(F)c1 ZINC000216347923 382783098 /nfs/dbraw/zinc/78/30/98/382783098.db2.gz KDSVAEGMLLHKOO-AWEZNQCLSA-N 0 3 281.371 2.961 50 0 CFAAHN CCc1nccc(CN(C)C2Cc3ccccc3C2)n1 ZINC000216327717 382783150 /nfs/dbraw/zinc/78/31/50/382783150.db2.gz UTSBSOWTAGVBPW-UHFFFAOYSA-N 0 3 267.376 2.638 50 0 CFAAHN CC(=O)N[C@@H]1CCN(Cc2ccc(CC(C)C)s2)C1 ZINC000216517950 382784079 /nfs/dbraw/zinc/78/40/79/382784079.db2.gz QELOYLIAWOUHGH-CYBMUJFWSA-N 0 3 280.437 2.657 50 0 CFAAHN C[C@@H]1CN(CCCc2nc3ccccc3[nH]2)C[C@H](C)O1 ZINC000225678955 382820267 /nfs/dbraw/zinc/82/02/67/382820267.db2.gz ONTPFNFAVHGWRX-BETUJISGSA-N 0 3 273.380 2.605 50 0 CFAAHN COc1ccc(N(Cc2cccs2)C(=O)[C@@H](C)N)cc1 ZINC000237247961 382955136 /nfs/dbraw/zinc/95/51/36/382955136.db2.gz UIAONPYLKFWAMD-LLVKDONJSA-N 0 3 290.388 2.637 50 0 CFAAHN CC(C)Oc1ccc(CNC(=O)c2cccc(CN)c2)cc1 ZINC000241124108 382982762 /nfs/dbraw/zinc/98/27/62/382982762.db2.gz JFRKEVUWTSWFHZ-UHFFFAOYSA-N 0 3 298.386 2.863 50 0 CFAAHN O[C@@H](CN1CC(c2nc3ccccc3[nH]2)C1)c1ccccc1 ZINC000244811695 382992632 /nfs/dbraw/zinc/99/26/32/382992632.db2.gz SJNDACPAOINFBQ-KRWDZBQOSA-N 0 3 293.370 2.696 50 0 CFAAHN CN(CCOc1ccccc1)CC1(CO)CCCC1 ZINC000244884381 382994508 /nfs/dbraw/zinc/99/45/08/382994508.db2.gz YLJTUYSRCLZJSX-UHFFFAOYSA-N 0 3 263.381 2.550 50 0 CFAAHN CNC(=O)CCN(C)Cc1ccc(C2CCCC2)s1 ZINC000244875096 382994657 /nfs/dbraw/zinc/99/46/57/382994657.db2.gz XMLSNHAAKLMZGE-UHFFFAOYSA-N 0 3 280.437 2.974 50 0 CFAAHN CCc1nccn1CCN(C)Cc1nc2cccc(C)c2[nH]1 ZINC000244874717 382994856 /nfs/dbraw/zinc/99/48/56/382994856.db2.gz XGBZOPOUPGUHET-UHFFFAOYSA-N 0 3 297.406 2.762 50 0 CFAAHN NC(=O)[C@H](c1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000245284712 382997007 /nfs/dbraw/zinc/99/70/07/382997007.db2.gz UFVHRDPNNDCPFW-BPUTZDHNSA-N 0 3 272.392 2.725 50 0 CFAAHN c1nnc(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1-c1ccccc1 ZINC000585117823 383115238 /nfs/dbraw/zinc/11/52/38/383115238.db2.gz YFYMOCCZERNGIX-KFWWJZLASA-N 0 3 282.391 2.793 50 0 CFAAHN C[C@H](NCc1ccns1)[C@H](c1ccccc1)N(C)C ZINC000585117776 383115309 /nfs/dbraw/zinc/11/53/09/383115309.db2.gz WJNMCDGBJXWADE-SWLSCSKDSA-N 0 3 275.421 2.924 50 0 CFAAHN Cc1ncsc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000247280092 383158908 /nfs/dbraw/zinc/15/89/08/383158908.db2.gz YNSNXIOEDSJHRC-AAEUAGOBSA-N 0 3 276.409 2.731 50 0 CFAAHN CC(C)(C)SCCN1CCC[C@H](c2nnc[nH]2)C1 ZINC000252499844 383413949 /nfs/dbraw/zinc/41/39/49/383413949.db2.gz SGFOQLNPDFCENT-NSHDSACASA-N 0 3 268.430 2.516 50 0 CFAAHN CCCN1CCN(C[C@H]2CCOc3ccccc32)CC1 ZINC000253417256 383457164 /nfs/dbraw/zinc/45/71/64/383457164.db2.gz TVBJTTRHSTULDU-OAHLLOKOSA-N 0 3 274.408 2.580 50 0 CFAAHN CCCn1nnnc1CN[C@H]1CCCC[C@H]1C(C)(C)C ZINC000119472993 412995283 /nfs/dbraw/zinc/99/52/83/412995283.db2.gz PHNMJOXJYDAQFK-OLZOCXBDSA-N 0 3 279.432 2.778 50 0 CFAAHN CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1nc[nH]c1C ZINC000072302532 285176138 /nfs/dbraw/zinc/17/61/38/285176138.db2.gz KERJRNDAECYKQY-CYBMUJFWSA-N 0 3 290.754 2.958 50 0 CFAAHN C[C@@H]1OCC[C@@H]1N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000245316705 131085491 /nfs/dbraw/zinc/08/54/91/131085491.db2.gz KFESMGRJJXQKMO-WHLNNUNGSA-N 0 3 283.318 2.562 50 0 CFAAHN Cc1csc2nc(CN3[C@H](C)CCC[C@H]3C)cc(=O)n12 ZINC000065479390 393631710 /nfs/dbraw/zinc/63/17/10/393631710.db2.gz SUPKGANDADDWPD-GHMZBOCLSA-N 0 3 291.420 2.827 50 0 CFAAHN CCOCCN1CCN([C@@H](C)c2cccnc2)C[C@H]1CC ZINC000069819898 393636723 /nfs/dbraw/zinc/63/67/23/393636723.db2.gz MSLCFPUXBGDRFS-DOTOQJQBSA-N 0 3 291.439 2.575 50 0 CFAAHN OCCCN(Cc1ccccn1)[C@@H]1CCc2ccccc21 ZINC000096424231 393829553 /nfs/dbraw/zinc/82/95/53/393829553.db2.gz MWZXOBKUWCRAHT-GOSISDBHSA-N 0 3 282.387 2.954 50 0 CFAAHN CC(C)N(C)CC(=O)NC[C@H](C)c1ccc(F)c(F)c1 ZINC000096432613 393832479 /nfs/dbraw/zinc/83/24/79/393832479.db2.gz OBVOCTRKUWUWAK-NSHDSACASA-N 0 3 284.350 2.525 50 0 CFAAHN Cc1nc(CN2C[C@@H](c3ccccc3)C(C)(C)C2)n[nH]1 ZINC000426518313 393888874 /nfs/dbraw/zinc/88/88/74/393888874.db2.gz LKWQDQZWHSGGKG-AWEZNQCLSA-N 0 3 270.380 2.739 50 0 CFAAHN CCOC[C@H](O)CN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000247690864 393902063 /nfs/dbraw/zinc/90/20/63/393902063.db2.gz VWUDWBMFYYVTBC-YUELXQCFSA-N 0 3 281.396 2.758 50 0 CFAAHN Cc1cc([C@@H](C)NC[C@@H](C)CS(C)(=O)=O)c(C)s1 ZINC000097109668 393841055 /nfs/dbraw/zinc/84/10/55/393841055.db2.gz QBKMUHRFOFFAOP-MWLCHTKSSA-N 0 3 289.466 2.696 50 0 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Cc1cc2cccc(NC(=O)N3CC[C@H](N(C)C)C3)c2o1 ZINC000095518453 185002297 /nfs/dbraw/zinc/00/22/97/185002297.db2.gz QTFMAAZXJLLZLH-ZDUSSCGKSA-N 0 3 287.363 2.909 50 0 CFAAHN CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000095725483 185021744 /nfs/dbraw/zinc/02/17/44/185021744.db2.gz JYKKEFNKRYSTNF-AWEZNQCLSA-N 0 3 261.365 2.850 50 0 CFAAHN CSC[C@](C)(O)CN[C@@H]1CCc2ccc(F)cc21 ZINC000095968281 185046219 /nfs/dbraw/zinc/04/62/19/185046219.db2.gz UJERFHWRWFALCN-ZIAGYGMSSA-N 0 3 269.385 2.517 50 0 CFAAHN COCCn1nc(C)c([C@H](C)N[C@H]2CCCSC2)c1C ZINC000095982185 185054055 /nfs/dbraw/zinc/05/40/55/185054055.db2.gz CBGDRGFMBAVKJL-FZMZJTMJSA-N 0 3 297.468 2.693 50 0 CFAAHN c1csc(C2(NC[C@@H]3CCOC3)CCCC2)n1 ZINC000083214735 178357184 /nfs/dbraw/zinc/35/71/84/178357184.db2.gz WVTNTOLPAJFZBP-NSHDSACASA-N 0 3 252.383 2.539 50 0 CFAAHN CCN1CC[C@@H](c2nc(-c3ccncc3)nn2C(C)C)C1 ZINC000096148108 185106940 /nfs/dbraw/zinc/10/69/40/185106940.db2.gz NARJJSDQFKDVJU-CQSZACIVSA-N 0 3 285.395 2.730 50 0 CFAAHN 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CC[C@@H](C)[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000251334 371569789 /nfs/dbraw/zinc/56/97/89/371569789.db2.gz QXJZZICYZZKPMO-PBHICJAKSA-N 0 3 288.435 2.841 50 0 CFAAHN COc1cc(CN[C@H]2CCCC[C@@H]2OC)cc(OC)c1 ZINC000000293447 371580310 /nfs/dbraw/zinc/58/03/10/371580310.db2.gz LXSLVRZUGUBCSX-HOTGVXAUSA-N 0 3 279.380 2.751 50 0 CFAAHN Cc1cc(Cl)ccc1NC(=O)OCCN(C)C ZINC000000395325 371603162 /nfs/dbraw/zinc/60/31/62/371603162.db2.gz CCWXYGDPOCBMFB-UHFFFAOYSA-N 0 3 256.733 2.759 50 0 CFAAHN CN1CCC(SCC(=O)c2ccc(F)cc2)CC1 ZINC000000392274 371603581 /nfs/dbraw/zinc/60/35/81/371603581.db2.gz STCNGVIIGTXITE-UHFFFAOYSA-N 0 3 267.369 2.836 50 0 CFAAHN CN(C)CCOC(=O)Nc1ccc(Br)cc1 ZINC000000398078 371605156 /nfs/dbraw/zinc/60/51/56/371605156.db2.gz IORIMICWYGREEK-UHFFFAOYSA-N 0 3 287.157 2.559 50 0 CFAAHN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000002169557 371718593 /nfs/dbraw/zinc/71/85/93/371718593.db2.gz PHOIDJGLYWEUEK-AWEZNQCLSA-N 0 3 276.380 2.786 50 0 CFAAHN NNc1ccc(Cc2ccc(Cl)cc2Cl)nn1 ZINC000002558764 371736783 /nfs/dbraw/zinc/73/67/83/371736783.db2.gz ONWHQODUHXQAOS-UHFFFAOYSA-N 0 3 269.135 2.660 50 0 CFAAHN CNCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003335990 371792717 /nfs/dbraw/zinc/79/27/17/371792717.db2.gz SNNBVGRDRGGJFH-UHFFFAOYSA-N 0 3 266.650 2.517 50 0 CFAAHN CCOc1ccc(OCCOCCN2CCCCC2)cc1 ZINC000003001986 371768945 /nfs/dbraw/zinc/76/89/45/371768945.db2.gz WRFNBKLKAXGNBA-UHFFFAOYSA-N 0 3 293.407 2.967 50 0 CFAAHN CC(=O)c1ccc(NC(=O)CCN2CCCCC2)cc1 ZINC000003130197 371773704 /nfs/dbraw/zinc/77/37/04/371773704.db2.gz FCXCFPPWHHRQCD-UHFFFAOYSA-N 0 3 274.364 2.704 50 0 CFAAHN Nc1c2c(nc3ccn(-c4ccccc4)c(=O)c13)CCCC2 ZINC000004020016 371829485 /nfs/dbraw/zinc/82/94/85/371829485.db2.gz OWKWAGQQXDDMJT-UHFFFAOYSA-N 0 3 291.354 2.847 50 0 CFAAHN CC(=O)c1cccc(NC(=O)CNCCc2ccccc2)c1 ZINC000003440631 371801059 /nfs/dbraw/zinc/80/10/59/371801059.db2.gz MWQQAJSMVKUIJY-UHFFFAOYSA-N 0 3 296.370 2.660 50 0 CFAAHN CNCC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000003683827 371815978 /nfs/dbraw/zinc/81/59/78/371815978.db2.gz KRECHJOFIBMZAW-UHFFFAOYSA-N 0 3 281.359 2.687 50 0 CFAAHN COc1ccc(CSC2=NCCN2)cc1Cl ZINC000004339289 371851769 /nfs/dbraw/zinc/85/17/69/371851769.db2.gz VXXFUXPTNRIHFJ-UHFFFAOYSA-N 0 3 256.758 2.541 50 0 CFAAHN COc1ccc2[nH]c(=O)c(CNCc3ccccc3)cc2c1 ZINC000004993282 371878796 /nfs/dbraw/zinc/87/87/96/371878796.db2.gz FHFSIMKLBLEBGE-UHFFFAOYSA-N 0 3 294.354 2.827 50 0 biogenic,in-vitro CFAAHN C[C@@H]1CCC[C@H]1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000010434844 371907912 /nfs/dbraw/zinc/90/79/12/371907912.db2.gz KSIMRCJXVNOUTP-ZTFGCOKTSA-N 0 3 289.419 2.611 50 0 CFAAHN CCCN1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000011774880 371929675 /nfs/dbraw/zinc/92/96/75/371929675.db2.gz VTDCJYIVWDJSRB-INIZCTEOSA-N 0 3 298.390 2.685 50 0 CFAAHN O=C(C1CCCC1)N1CCN(C2CCCCC2)CC1 ZINC000012343504 371952572 /nfs/dbraw/zinc/95/25/72/371952572.db2.gz DNPQFUMTIHHYGS-UHFFFAOYSA-N 0 3 264.413 2.654 50 0 CFAAHN CCOc1c(CNCCCOC(C)C)cccc1OC ZINC000013721833 372044355 /nfs/dbraw/zinc/04/43/55/372044355.db2.gz LLKIRDHSDKFXLU-UHFFFAOYSA-N 0 3 281.396 2.999 50 0 CFAAHN O=C(NC1CCCCC1)N1CCN(C2CCCCC2)CC1 ZINC000013757995 372048223 /nfs/dbraw/zinc/04/82/23/372048223.db2.gz LRAUBOSEUOPEDA-UHFFFAOYSA-N 0 3 293.455 2.979 50 0 CFAAHN CCN1CCC[C@H]1Cn1sc2ccccc2c1=O ZINC000013833684 372051777 /nfs/dbraw/zinc/05/17/77/372051777.db2.gz IOHBIRVTJUGAEU-NSHDSACASA-N 0 3 262.378 2.547 50 0 CFAAHN O[C@H](COC1CCCCC1)CN1CCc2ccccc2C1 ZINC000016576907 372110356 /nfs/dbraw/zinc/11/03/56/372110356.db2.gz VIKHUBRGROKZIG-KRWDZBQOSA-N 0 3 289.419 2.755 50 0 CFAAHN CCN1CCC(NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000016604107 372113243 /nfs/dbraw/zinc/11/32/43/372113243.db2.gz OQJOQROWWAOCMP-UHFFFAOYSA-N 0 3 260.381 2.518 50 0 CFAAHN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCCCC1 ZINC000014914377 372075456 /nfs/dbraw/zinc/07/54/56/372075456.db2.gz TZDBXBPDDTZBHM-LBPRGKRZSA-N 0 3 280.799 2.831 50 0 CFAAHN COC(=O)c1ccc(CN[C@H]2COc3ccccc3C2)cc1 ZINC000014968996 372077213 /nfs/dbraw/zinc/07/72/13/372077213.db2.gz GYQMTMSBNJZUSY-MRXNPFEDSA-N 0 3 297.354 2.567 50 0 CFAAHN COc1ccc(OC)c([C@@H]2NCC[C@]3(O)CCCC[C@@H]23)c1 ZINC000016042952 372098590 /nfs/dbraw/zinc/09/85/90/372098590.db2.gz YDBPAMFTYNDWQO-BHYGNILZSA-N 0 3 291.391 2.660 50 0 CFAAHN C[C@@H](C(=O)NCc1cccs1)N1C[C@H](C)C[C@H](C)C1 ZINC000016335515 372103672 /nfs/dbraw/zinc/10/36/72/372103672.db2.gz IGQOGXZLYQEXHB-XQQFMLRXSA-N 0 3 280.437 2.731 50 0 CFAAHN NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000019273555 372152850 /nfs/dbraw/zinc/15/28/50/372152850.db2.gz PVHXZRZDOGXTPE-CQSZACIVSA-N 0 3 258.390 2.806 50 0 CFAAHN c1cncc(CN2CCN(C[C@H]3CC=CCC3)CC2)c1 ZINC000019339208 372156619 /nfs/dbraw/zinc/15/66/19/372156619.db2.gz XBKREKZBXQZROW-INIZCTEOSA-N 0 3 271.408 2.556 50 0 CFAAHN COc1ccc2ccccc2c1CN1CCN(C)CC1 ZINC000019359106 372157005 /nfs/dbraw/zinc/15/70/05/372157005.db2.gz VTTVSXRLXLDZGK-UHFFFAOYSA-N 0 3 270.376 2.596 50 0 CFAAHN COc1ccc([C@H](N)c2ccc(OC)cc2OC)cc1 ZINC000019415170 372161682 /nfs/dbraw/zinc/16/16/82/372161682.db2.gz BLECVMLKEBWWJQ-INIZCTEOSA-N 0 3 273.332 2.761 50 0 CFAAHN CCN(CCN(C)C)Cc1c(F)cccc1Cl ZINC000019634831 372178296 /nfs/dbraw/zinc/17/82/96/372178296.db2.gz KFOKWSVHXZISKF-UHFFFAOYSA-N 0 3 258.768 2.863 50 0 CFAAHN CN(Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCCCN1C ZINC000019782192 372185961 /nfs/dbraw/zinc/18/59/61/372185961.db2.gz QNLZXRSAUUDBRH-CYBMUJFWSA-N 0 3 290.386 2.618 50 0 CFAAHN CN(C)CCN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000023280582 372257107 /nfs/dbraw/zinc/25/71/07/372257107.db2.gz JKSIQJWYDAVXET-UHFFFAOYSA-N 0 3 276.302 2.579 50 0 CFAAHN COc1ccc(C[C@@H](C)N2CCSCC2)cc1OC ZINC000023282581 372258136 /nfs/dbraw/zinc/25/81/36/372258136.db2.gz LXMGNIOMQUZFBD-GFCCVEGCSA-N 0 3 281.421 2.684 50 0 CFAAHN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)NCCN(C)C ZINC000025763851 372306495 /nfs/dbraw/zinc/30/64/95/372306495.db2.gz YRYHZTDMVWWJPM-KGLIPLIRSA-N 0 3 291.439 2.678 50 0 CFAAHN CN(C)CCNc1nc2c(cc(F)cc2F)s1 ZINC000026424029 372319181 /nfs/dbraw/zinc/31/91/81/372319181.db2.gz QHYOLWSCNKIDBH-UHFFFAOYSA-N 0 3 257.309 2.548 50 0 CFAAHN CCC(=O)NC[C@@H](c1cccs1)N1CCCCC1 ZINC000027584781 372343838 /nfs/dbraw/zinc/34/38/38/372343838.db2.gz KFGWFVSRWWEFHJ-LBPRGKRZSA-N 0 3 266.410 2.801 50 0 CFAAHN C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1 ZINC000032143142 372432704 /nfs/dbraw/zinc/43/27/04/372432704.db2.gz YJZJJYCAVJUAPY-CZUORRHYSA-N 0 3 289.350 2.916 50 0 CFAAHN CCN1CCC[C@H](c2nnc3c(C(F)(F)F)cccn32)C1 ZINC000032561071 372444956 /nfs/dbraw/zinc/44/49/56/372444956.db2.gz KMHSCZZWZDNBJR-JTQLQIEISA-N 0 3 298.312 2.947 50 0 CFAAHN O=C(NC1CCN(C2CC2)CC1)c1cc2ccccc2[nH]1 ZINC000032752792 372458845 /nfs/dbraw/zinc/45/88/45/372458845.db2.gz JAJOKLLXBJWDDI-UHFFFAOYSA-N 0 3 283.375 2.525 50 0 CFAAHN CNCc1ccccc1OCC(=O)Nc1ccc(C)cc1 ZINC000034658444 372513045 /nfs/dbraw/zinc/51/30/45/372513045.db2.gz ZHLJJQZDHLVDRB-UHFFFAOYSA-N 0 3 284.359 2.732 50 0 CFAAHN CC[C@@H](C)N(Cc1cccn1C)C[C@H](O)COC(C)(C)C ZINC000036098144 372557471 /nfs/dbraw/zinc/55/74/71/372557471.db2.gz VUTLPXRKTSBDFA-ZBFHGGJFSA-N 0 3 296.455 2.802 50 0 CFAAHN Cc1ccc(CN2CCN(CC(C)C)[C@H](CCO)C2)s1 ZINC000036385751 372576566 /nfs/dbraw/zinc/57/65/66/372576566.db2.gz ZEMAHOYXOAHHGN-OAHLLOKOSA-N 0 3 296.480 2.581 50 0 CFAAHN CCOC(=O)CCN1CCC(Cc2ccccc2)CC1 ZINC000036667737 372584990 /nfs/dbraw/zinc/58/49/90/372584990.db2.gz CZRMUPICEACVPG-UHFFFAOYSA-N 0 3 275.392 2.894 50 0 CFAAHN CCC[C@](C)(N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766384 372701882 /nfs/dbraw/zinc/70/18/82/372701882.db2.gz ZPDUEDLWFJRVAU-INIZCTEOSA-N 0 3 275.396 2.743 50 0 CFAAHN C[C@@H](CN1CCCC1=O)NCc1cc2ccccc2o1 ZINC000037783017 372708036 /nfs/dbraw/zinc/70/80/36/372708036.db2.gz IPYZKOKCNWEBAJ-LBPRGKRZSA-N 0 3 272.348 2.533 50 0 CFAAHN C[C@H](CNC(=O)c1ccc(Cl)cc1F)N1CCCC1 ZINC000042505477 372928048 /nfs/dbraw/zinc/92/80/48/372928048.db2.gz WZNIWVLDNIRTSY-SNVBAGLBSA-N 0 3 284.762 2.693 50 0 CFAAHN C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N1CCCC1 ZINC000042505474 372928483 /nfs/dbraw/zinc/92/84/83/372928483.db2.gz WZNIWVLDNIRTSY-JTQLQIEISA-N 0 3 284.762 2.693 50 0 CFAAHN C[C@@H]1CCCN(CCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000046878901 373065705 /nfs/dbraw/zinc/06/57/05/373065705.db2.gz WUIRKBBSNUUAPK-LLVKDONJSA-N 0 3 298.789 2.941 50 0 CFAAHN c1nc2ccccc2n1CCN1CCOC2(CCCC2)C1 ZINC000244690955 189908945 /nfs/dbraw/zinc/90/89/45/189908945.db2.gz JABWCKSPSVUPNE-UHFFFAOYSA-N 0 3 285.391 2.681 50 0 CFAAHN CN1CCC(NC(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000047615828 373108218 /nfs/dbraw/zinc/10/82/18/373108218.db2.gz KOYYUMAZEAYSKJ-UHFFFAOYSA-N 0 3 292.810 2.582 50 0 CFAAHN OCC1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000048335220 373165081 /nfs/dbraw/zinc/16/50/81/373165081.db2.gz FDPSPPQHAYUZTE-UHFFFAOYSA-N 0 3 274.339 2.578 50 0 CFAAHN NCc1ccc(Br)cc1C(F)(F)F ZINC000047843661 373119514 /nfs/dbraw/zinc/11/95/14/373119514.db2.gz GOXRWAZJVIOPFT-UHFFFAOYSA-N 0 3 254.049 2.927 50 0 CFAAHN CCN(CC)CC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000049094416 373268774 /nfs/dbraw/zinc/26/87/74/373268774.db2.gz WLVBDUCVDDYGQN-ZDUSSCGKSA-N 0 3 296.798 2.622 50 0 CFAAHN CNc1ncccc1CN(C)[C@@H](C)Cc1cc(C)ccn1 ZINC000055053831 373535472 /nfs/dbraw/zinc/53/54/72/373535472.db2.gz SZSCCBJYDOVOBT-AWEZNQCLSA-N 0 3 284.407 2.890 50 0 CFAAHN Cc1ccc2c(c1)nc(C)cc2C(=O)NCCN1CCCC1 ZINC000055414740 373551745 /nfs/dbraw/zinc/55/17/45/373551745.db2.gz GBNOTJSRYNILCI-UHFFFAOYSA-N 0 3 297.402 2.677 50 0 CFAAHN Cc1cc(CN(CCN(C)C)Cc2ccc(C)s2)[nH]n1 ZINC000055575602 373558249 /nfs/dbraw/zinc/55/82/49/373558249.db2.gz ISAWLKXYHUCWCB-UHFFFAOYSA-N 0 3 292.452 2.652 50 0 CFAAHN C[C@@H]1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000057503257 373595859 /nfs/dbraw/zinc/59/58/59/373595859.db2.gz MHMVGYMCWQSOIW-LLVKDONJSA-N 0 3 291.782 2.722 50 0 CFAAHN Cc1cc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)no1 ZINC000058074055 373624459 /nfs/dbraw/zinc/62/44/59/373624459.db2.gz INFATSXBKVCYBM-MRXNPFEDSA-N 0 3 287.363 2.908 50 0 CFAAHN CCCCc1noc([C@H](C)N2CC[C@H](N3CCCC3)C2)n1 ZINC000058431322 373659055 /nfs/dbraw/zinc/65/90/55/373659055.db2.gz LBUMCGWRANODOH-KBPBESRZSA-N 0 3 292.427 2.643 50 0 CFAAHN CC[C@H](C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058265259 373638584 /nfs/dbraw/zinc/63/85/84/373638584.db2.gz YRRYCOUBMRQLGX-DZKIICNBSA-N 0 3 274.408 2.984 50 0 CFAAHN Cc1cc(NC(=O)c2cccc(CN3CCCC3)c2)n[nH]1 ZINC000058265870 373639076 /nfs/dbraw/zinc/63/90/76/373639076.db2.gz HJYIHXWVSBQDDH-UHFFFAOYSA-N 0 3 284.363 2.566 50 0 CFAAHN NC(=O)[C@H](c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000058283041 373640562 /nfs/dbraw/zinc/64/05/62/373640562.db2.gz JWRYWZCCLVWTRM-SJORKVTESA-N 0 3 280.371 2.703 50 0 CFAAHN CCCN1CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000058563775 373662832 /nfs/dbraw/zinc/66/28/32/373662832.db2.gz QNDQEEMTZVADMC-JKSUJKDBSA-N 0 3 268.445 2.609 50 0 CFAAHN CC1CCC(NC(=O)CN(C)C2CCCCC2)CC1 ZINC000058874485 373672621 /nfs/dbraw/zinc/67/26/21/373672621.db2.gz ARJDWNHCSRKYEW-UHFFFAOYSA-N 0 3 266.429 2.946 50 0 CFAAHN Cc1noc(C)c1CN1CCN(CCC(C)(C)C)CC1 ZINC000059744742 373684077 /nfs/dbraw/zinc/68/40/77/373684077.db2.gz KYSOJFOSTCAYFB-UHFFFAOYSA-N 0 3 279.428 2.845 50 0 CFAAHN Clc1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1 ZINC000060363298 373693564 /nfs/dbraw/zinc/69/35/64/373693564.db2.gz AUSHIWRROXAKFK-ZDUSSCGKSA-N 0 3 281.783 2.925 50 0 CFAAHN COC[C@H]1CCCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000062161092 373754910 /nfs/dbraw/zinc/75/49/10/373754910.db2.gz MGVGPCHWWIMYNN-ZDUSSCGKSA-N 0 3 279.380 2.562 50 0 CFAAHN CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccccc1[O-] ZINC000063778375 373815118 /nfs/dbraw/zinc/81/51/18/373815118.db2.gz QPGHHTSFRFGRGY-UHFFFAOYSA-N 0 3 290.407 2.729 50 0 CFAAHN CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccccc1[O-] ZINC000063778375 373815122 /nfs/dbraw/zinc/81/51/22/373815122.db2.gz QPGHHTSFRFGRGY-UHFFFAOYSA-N 0 3 290.407 2.729 50 0 CFAAHN O=C(NCc1ccco1)C1=CCN(Cc2ccccc2)CC1 ZINC000064817950 373835728 /nfs/dbraw/zinc/83/57/28/373835728.db2.gz JMSIHIBBURXAEG-UHFFFAOYSA-N 0 3 296.370 2.728 50 0 CFAAHN CN(C)CCSc1ccc2c(c1)OCCCO2 ZINC000065562225 373887714 /nfs/dbraw/zinc/88/77/14/373887714.db2.gz OGMASUJOLVHULY-UHFFFAOYSA-N 0 3 253.367 2.502 50 0 CFAAHN CN1CCC[C@@H]1CNC(=O)CCSc1ccc(F)cc1 ZINC000065590738 373892113 /nfs/dbraw/zinc/89/21/13/373892113.db2.gz ABEFZXUSYRWKLV-CYBMUJFWSA-N 0 3 296.411 2.518 50 0 CFAAHN Cc1cc2cccc(C(=O)N3[C@@H]4CC[C@H]3CNCC4)c2o1 ZINC000065370984 373859218 /nfs/dbraw/zinc/85/92/18/373859218.db2.gz CUFHUJUYDDQUGI-KGLIPLIRSA-N 0 3 284.359 2.708 50 0 CFAAHN CCCc1ccc(CN2CCN(c3ccncc3)CC2)o1 ZINC000065425419 373870712 /nfs/dbraw/zinc/87/07/12/373870712.db2.gz YKNAQGLNTWSJRT-UHFFFAOYSA-N 0 3 285.391 2.949 50 0 CFAAHN CC(C)N(Cc1cc2ccccc2o1)C[C@@H]1CCC(=O)N1 ZINC000065425901 373871263 /nfs/dbraw/zinc/87/12/63/373871263.db2.gz RWIIFUSYWAUMPZ-AWEZNQCLSA-N 0 3 286.375 2.922 50 0 CFAAHN CC(C)c1ccc(CC(=O)NC[C@@]2(C)CCN(C)C2)cc1 ZINC000067770818 374001402 /nfs/dbraw/zinc/00/14/02/374001402.db2.gz KITTXDODWHXNSW-GOSISDBHSA-N 0 3 288.435 2.811 50 0 CFAAHN CC(C)=CC(=O)NCC[C@H]1CCCN(Cc2ccco2)C1 ZINC000067562977 373982880 /nfs/dbraw/zinc/98/28/80/373982880.db2.gz HOONCNTYGHBPHH-OAHLLOKOSA-N 0 3 290.407 2.964 50 0 CFAAHN CCN(CC)Cc1cccc(C(=O)Nc2cnns2)c1 ZINC000067688669 373991383 /nfs/dbraw/zinc/99/13/83/373991383.db2.gz JZFVWBQTYWJGAG-UHFFFAOYSA-N 0 3 290.392 2.632 50 0 CFAAHN CCCCO[C@H](C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000068541303 374032008 /nfs/dbraw/zinc/03/20/08/374032008.db2.gz DYSFQLXGFNIKSX-CQSZACIVSA-N 0 3 292.423 2.570 50 0 CFAAHN COc1ccc(CN[C@H](C)[C@H](C)n2cccn2)c(OC)c1 ZINC000069415637 374060126 /nfs/dbraw/zinc/06/01/26/374060126.db2.gz UEPVTHHAMLXYAE-OLZOCXBDSA-N 0 3 289.379 2.640 50 0 CFAAHN Cc1cnn(C[C@H](C)NCc2ccc(-n3cccn3)cc2)c1 ZINC000069490049 374067971 /nfs/dbraw/zinc/06/79/71/374067971.db2.gz BPXLILJPJKGVNN-HNNXBMFYSA-N 0 3 295.390 2.556 50 0 CFAAHN COCCCN1CCC(NC(=O)C[C@H](C)CC(C)C)CC1 ZINC000069485454 374068159 /nfs/dbraw/zinc/06/81/59/374068159.db2.gz DRQHCLQDVYLVLF-OAHLLOKOSA-N 0 3 298.471 2.676 50 0 CFAAHN CCN1CC[C@@H](N(C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000069586771 374077139 /nfs/dbraw/zinc/07/71/39/374077139.db2.gz COADBZBYDBRHRN-CQSZACIVSA-N 0 3 295.814 2.576 50 0 CFAAHN CN(C)CCOc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000069812288 374099752 /nfs/dbraw/zinc/09/97/52/374099752.db2.gz NCMVKRNRIODATO-UHFFFAOYSA-N 0 3 294.395 2.652 50 0 CFAAHN CC(C)=CCN1CCCC[C@@H]1Cn1nc(C)nc1C ZINC000069815266 374100618 /nfs/dbraw/zinc/10/06/18/374100618.db2.gz LRKMVSLEFAPMMG-OAHLLOKOSA-N 0 3 262.401 2.716 50 0 CFAAHN CCc1nc2n(n1)C[C@@H](NCc1cc3ccccc3o1)CC2 ZINC000069876093 374104223 /nfs/dbraw/zinc/10/42/23/374104223.db2.gz CYCIKKDHUXBJHH-ZDUSSCGKSA-N 0 3 296.374 2.691 50 0 CFAAHN CC[C@H](COC)NCc1ccccc1Br ZINC000070656697 374201308 /nfs/dbraw/zinc/20/13/08/374201308.db2.gz QADLOMJBZMETPW-LLVKDONJSA-N 0 3 272.186 2.964 50 0 CFAAHN CC(C)c1nccc(CN2CCN(C(C)C)[C@@H](C)C2)n1 ZINC000071753409 374221663 /nfs/dbraw/zinc/22/16/63/374221663.db2.gz FBRNKLMOMFJXFB-AWEZNQCLSA-N 0 3 276.428 2.515 50 0 CFAAHN CCOc1ccc(C(=O)NC2CCN(C)CC2)cc1Cl ZINC000072442005 374253153 /nfs/dbraw/zinc/25/31/53/374253153.db2.gz ZRHKURBMQNVQRW-UHFFFAOYSA-N 0 3 296.798 2.563 50 0 CFAAHN c1ncc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)[nH]1 ZINC000072447197 374254272 /nfs/dbraw/zinc/25/42/72/374254272.db2.gz DDVVJUBAWBWBNL-GFCCVEGCSA-N 0 3 281.363 2.666 50 0 CFAAHN C[C@@H](CN1CC2(CCN(C)CC2)OC1=O)c1ccccc1 ZINC000072479446 374256637 /nfs/dbraw/zinc/25/66/37/374256637.db2.gz HQUUFBWPUDNFQA-AWEZNQCLSA-N 0 3 288.391 2.707 50 0 CFAAHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc3c(c1)CCC3)C2 ZINC000072500780 374257831 /nfs/dbraw/zinc/25/78/31/374257831.db2.gz UTMDZPBDEOXSAY-DLBZAZTESA-N 0 3 299.418 2.876 50 0 CFAAHN c1ccc2sc(N3CC[C@@H](N4CCCC4)C3)nc2c1 ZINC000072089568 374234694 /nfs/dbraw/zinc/23/46/94/374234694.db2.gz JRYJUQTYQFRJFD-GFCCVEGCSA-N 0 3 273.405 2.971 50 0 CFAAHN COc1ccccc1C[C@H](C)N(C)Cc1ccno1 ZINC000072772101 374283900 /nfs/dbraw/zinc/28/39/00/374283900.db2.gz XOHDPXPUQFBOFG-LBPRGKRZSA-N 0 3 260.337 2.746 50 0 CFAAHN CCN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000074198739 374410052 /nfs/dbraw/zinc/41/00/52/374410052.db2.gz PNQMSJPFSAUDAW-UHFFFAOYSA-N 0 3 260.337 2.586 50 0 CFAAHN C[C@@H](CC[S@@](C)=O)NCc1ccccc1C(F)(F)F ZINC000075110432 374458440 /nfs/dbraw/zinc/45/84/40/374458440.db2.gz AYMORIRDTGNWQU-OVWNDWIMSA-N 0 3 293.354 2.952 50 0 CFAAHN NCc1cccc(C(F)(F)F)c1Br ZINC000081991193 374724251 /nfs/dbraw/zinc/72/42/51/374724251.db2.gz CMZWZSSUCWMZNR-UHFFFAOYSA-N 0 3 254.049 2.927 50 0 CFAAHN C[C@@H](CC1CCOCC1)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000089615149 374929565 /nfs/dbraw/zinc/92/95/65/374929565.db2.gz LQQICLSMIWSVQU-KBPBESRZSA-N 0 3 290.407 2.808 50 0 CFAAHN C[C@H]1CCCN(Cc2cc(F)cc3cccnc32)[C@@H]1CO ZINC000089929843 374969987 /nfs/dbraw/zinc/96/99/87/374969987.db2.gz SMJLIBIQRQRUES-BLLLJJGKSA-N 0 3 288.366 2.967 50 0 CFAAHN Cc1ccccc1C[C@H](C)N[C@H]1CCN(C(C)C)C1=O ZINC000089729436 374943249 /nfs/dbraw/zinc/94/32/49/374943249.db2.gz URYGJABSRQZHQT-HOCLYGCPSA-N 0 3 274.408 2.525 50 0 CFAAHN OC[C@@H]1CCCN(CCc2ccccc2Cl)C1 ZINC000089813895 374956493 /nfs/dbraw/zinc/95/64/93/374956493.db2.gz BUBOZABOCCAUHR-GFCCVEGCSA-N 0 3 253.773 2.587 50 0 CFAAHN c1cn([C@H]2CCC[C@@H]2NCc2ccc3c(c2)OCCO3)cn1 ZINC000089807032 374956643 /nfs/dbraw/zinc/95/66/43/374956643.db2.gz QNIUSDPZSBCFIH-GJZGRUSLSA-N 0 3 299.374 2.538 50 0 CFAAHN C1CC1c1nsc(N2CCCC[C@@H](N3CCCC3)C2)n1 ZINC000089819110 374957696 /nfs/dbraw/zinc/95/76/96/374957696.db2.gz DENPGLDANXBDSP-CYBMUJFWSA-N 0 3 292.452 2.870 50 0 CFAAHN OCCN(Cc1ccncc1)[C@@H]1CCc2ccccc21 ZINC000089858129 374961530 /nfs/dbraw/zinc/96/15/30/374961530.db2.gz LHUITZQCIBUTAB-QGZVFWFLSA-N 0 3 268.360 2.563 50 0 CFAAHN CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NCc1ccc(C)o1 ZINC000089948946 374974638 /nfs/dbraw/zinc/97/46/38/374974638.db2.gz PKFNFGBCXMGKIT-HOCLYGCPSA-N 0 3 292.423 2.961 50 0 CFAAHN CCOc1cc(Cl)ccc1NC(=O)N(C)CCN(C)C ZINC000089990944 374983971 /nfs/dbraw/zinc/98/39/71/374983971.db2.gz NQNCQLUKDOVQAY-UHFFFAOYSA-N 0 3 299.802 2.764 50 0 CFAAHN c1c[nH]c(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)n1 ZINC000091562950 375053444 /nfs/dbraw/zinc/05/34/44/375053444.db2.gz CYOBOTMRAGDKCL-DLBZAZTESA-N 0 3 296.418 2.506 50 0 CFAAHN Cc1ccc([C@H](O)CN[C@@H](C)c2cccnc2)cc1 ZINC000092740217 375147107 /nfs/dbraw/zinc/14/71/07/375147107.db2.gz PZZNJZGAADRDCA-XJKSGUPXSA-N 0 3 256.349 2.774 50 0 CFAAHN Cc1nc(CN[C@H](C)[C@@H](c2ccccc2)N(C)C)[nH]c1C ZINC000571582471 383707651 /nfs/dbraw/zinc/70/76/51/383707651.db2.gz RXBOEUSTQFMURB-PBHICJAKSA-N 0 3 286.423 2.808 50 0 CFAAHN CCn1cc(CN2CC[C@@H](c3ccccc3OC)C2)cn1 ZINC000093593097 375271428 /nfs/dbraw/zinc/27/14/28/375271428.db2.gz ACEDYKOKFQBWDK-OAHLLOKOSA-N 0 3 285.391 2.901 50 0 CFAAHN CCO[C@H]1C[C@H](N(C)Cc2cnc[nH]2)C12CCCC2 ZINC000093611039 375274032 /nfs/dbraw/zinc/27/40/32/375274032.db2.gz PMYFAPUPXBFQFA-KBPBESRZSA-N 0 3 263.385 2.579 50 0 CFAAHN C[C@H](NC[C@H](O)c1ccco1)c1ccccc1N(C)C ZINC000093941914 375332687 /nfs/dbraw/zinc/33/26/87/375332687.db2.gz OBSWWRDZDPWWRZ-WFASDCNBSA-N 0 3 274.364 2.730 50 0 CFAAHN CCOCOc1ccc(CN[C@H](C)[C@H]2CCCO2)cc1 ZINC000095462196 375457240 /nfs/dbraw/zinc/45/72/40/375457240.db2.gz FVKXQNPVCGVIPF-CZUORRHYSA-N 0 3 279.380 2.717 50 0 CFAAHN CN1CC[C@@H]2CCN(c3ccc4ccc(F)cc4n3)[C@@H]2C1 ZINC000095994856 375466606 /nfs/dbraw/zinc/46/66/06/375466606.db2.gz BBTOBVZBLRCIPD-CZUORRHYSA-N 0 3 285.366 2.904 50 0 CFAAHN COc1ccc(CNCc2cccnc2-n2cccn2)cc1 ZINC000095350109 375417626 /nfs/dbraw/zinc/41/76/26/375417626.db2.gz KGIOIRIDXWRDFZ-UHFFFAOYSA-N 0 3 294.358 2.566 50 0 CFAAHN O=C([C@@H]1CCCN(CCC(F)(F)F)C1)N1CCCCC1 ZINC000095400263 375432152 /nfs/dbraw/zinc/43/21/52/375432152.db2.gz FZPURDKQEQXGRY-GFCCVEGCSA-N 0 3 292.345 2.663 50 0 CFAAHN OCCN[C@H]1CCCSc2ccc(Cl)cc21 ZINC000095419457 375439534 /nfs/dbraw/zinc/43/95/34/375439534.db2.gz ADHAYONYLBKWOJ-NSHDSACASA-N 0 3 257.786 2.849 50 0 CFAAHN Cc1ccc([C@H](C)N[C@H](C)CCS(C)(=O)=O)cc1C ZINC000095423923 375441830 /nfs/dbraw/zinc/44/18/30/375441830.db2.gz YXKCHUAEHVSMNC-KGLIPLIRSA-N 0 3 283.437 2.777 50 0 CFAAHN CN(Cc1cccs1)C(=O)C[C@H](N)Cc1ccccc1 ZINC000095427967 375443389 /nfs/dbraw/zinc/44/33/89/375443389.db2.gz XPOCVIVCRFVRGT-CQSZACIVSA-N 0 3 288.416 2.667 50 0 CFAAHN CC(C)[C@@H](C)N(Cc1cnc2ncccn12)C1CC1 ZINC000095453803 375455292 /nfs/dbraw/zinc/45/52/92/375455292.db2.gz YFVXAQLOZWCZST-GFCCVEGCSA-N 0 3 258.369 2.738 50 0 CFAAHN Cc1n[nH]cc1CN[C@@H](CN1CCCC1)c1ccccc1 ZINC000097159474 375533714 /nfs/dbraw/zinc/53/37/14/375533714.db2.gz STRDYPBHGKBHAU-KRWDZBQOSA-N 0 3 284.407 2.645 50 0 CFAAHN Cc1n[nH]c(C)c1CNCc1ccc(Cn2ccnc2)cc1 ZINC000097159563 375534113 /nfs/dbraw/zinc/53/41/13/375534113.db2.gz CMDBAXUIGKSUOK-UHFFFAOYSA-N 0 3 295.390 2.561 50 0 CFAAHN Cc1n[nH]c(C)c1CNCCO[C@@H]1CCCC[C@@H]1C ZINC000097159641 375534175 /nfs/dbraw/zinc/53/41/75/375534175.db2.gz QBBCNHORQHINTH-XHDPSFHLSA-N 0 3 265.401 2.711 50 0 CFAAHN Cc1cc(C)nc(NCCCN2CCc3ccccc3C2)n1 ZINC000097220628 375542178 /nfs/dbraw/zinc/54/21/78/375542178.db2.gz ZYHHENOGGDOATF-UHFFFAOYSA-N 0 3 296.418 2.954 50 0 CFAAHN CC(C)n1nnnc1CN[C@@H](C)[C@H](C)c1ccccc1 ZINC000097048986 375502913 /nfs/dbraw/zinc/50/29/13/375502913.db2.gz DRXSFCXBBDWFOS-STQMWFEESA-N 0 3 273.384 2.536 50 0 CFAAHN Cc1ccc(-c2cc(CN[C@H](CO)C(C)C)on2)cc1 ZINC000097094662 375514949 /nfs/dbraw/zinc/51/49/49/375514949.db2.gz GHJJQMDYGBPAPV-MRXNPFEDSA-N 0 3 274.364 2.757 50 0 CFAAHN Cc1cc([C@@H](C)NC[C@H](C)CS(C)(=O)=O)c(C)s1 ZINC000097109673 375521342 /nfs/dbraw/zinc/52/13/42/375521342.db2.gz QBKMUHRFOFFAOP-GXSJLCMTSA-N 0 3 289.466 2.696 50 0 CFAAHN CCO[C@H]1C[C@H](NCc2ccc(CO)o2)C12CCCCC2 ZINC000098018787 375589647 /nfs/dbraw/zinc/58/96/47/375589647.db2.gz MALMSKCPICUOCR-HOTGVXAUSA-N 0 3 293.407 2.989 50 0 CFAAHN CC(C)=CCN[C@H](C[S@](C)=O)c1ccccc1 ZINC000097373687 375553252 /nfs/dbraw/zinc/55/32/52/375553252.db2.gz FGNLALSNYRWRID-RHSMWYFYSA-N 0 3 251.395 2.662 50 0 CFAAHN COc1cc(CN2CCCCC[C@H]2CO)ccc1F ZINC000097394132 375558934 /nfs/dbraw/zinc/55/89/34/375558934.db2.gz HXLSPVOYYMCMAG-ZDUSSCGKSA-N 0 3 267.344 2.571 50 0 CFAAHN Cc1nc([C@@H]2CCCN2CCCc2ccccc2)n[nH]1 ZINC000097480000 375566095 /nfs/dbraw/zinc/56/60/95/375566095.db2.gz DVTJUKRSBNTZNW-HNNXBMFYSA-N 0 3 270.380 2.883 50 0 CFAAHN COCc1cccc(CNCc2nc(C)ccc2O)c1 ZINC000103342545 375731981 /nfs/dbraw/zinc/73/19/81/375731981.db2.gz AECJAFVFZDQEKH-UHFFFAOYSA-N 0 3 272.348 2.532 50 0 CFAAHN C[C@H](NCc1cc(Cl)ccc1F)[C@H]1CCOC1 ZINC000119360523 376401274 /nfs/dbraw/zinc/40/12/74/376401274.db2.gz DLYBYTQGHDPIOD-UWVGGRQHSA-N 0 3 257.736 2.994 50 0 CFAAHN Cc1ccccc1C1CC(N[C@@H](C)C(=O)N2CCCC2)C1 ZINC000134803711 378050323 /nfs/dbraw/zinc/05/03/23/378050323.db2.gz CQGOHNFBKILCKW-FHERZECASA-N 0 3 286.419 2.842 50 0 CFAAHN Cc1cc(Cl)ccc1CN1CCC[C@@H](CO)C1 ZINC000136132818 378182447 /nfs/dbraw/zinc/18/24/47/378182447.db2.gz HJZHMKBHCYHNOF-GFCCVEGCSA-N 0 3 253.773 2.853 50 0 CFAAHN CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H](C)N)cc1 ZINC000158054215 378662787 /nfs/dbraw/zinc/66/27/87/378662787.db2.gz LABHOCUJCIAKKI-SWLSCSKDSA-N 0 3 260.381 2.821 50 0 CFAAHN C[C@H](CCNCc1ccc(Cl)cc1F)[S@](C)=O ZINC000160892714 378807533 /nfs/dbraw/zinc/80/75/33/378807533.db2.gz PFLMGLJQYWZNKH-VVVCHXIZSA-N 0 3 277.792 2.726 50 0 CFAAHN C[C@@H](N)C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000161581295 378858240 /nfs/dbraw/zinc/85/82/40/378858240.db2.gz PDXYWKACQPXLBC-OLZOCXBDSA-N 0 3 260.381 2.724 50 0 CFAAHN OC[C@@H](CNCc1cc(F)cc(F)c1)c1ccccc1 ZINC000163096101 378953778 /nfs/dbraw/zinc/95/37/78/378953778.db2.gz XAYAAPGAPBTTDZ-CQSZACIVSA-N 0 3 277.314 2.831 50 0 CFAAHN CC[C@@H](CCO)NCc1sccc1Br ZINC000164999031 379029775 /nfs/dbraw/zinc/02/97/75/379029775.db2.gz LVMSSQQZRBKBTH-QMMMGPOBSA-N 0 3 278.215 2.761 50 0 CFAAHN Fc1ccc(N2CCN(CC[C@H]3CCCCO3)CC2)cc1 ZINC000170594602 379121071 /nfs/dbraw/zinc/12/10/71/379121071.db2.gz SSOPSCHQKFNTPU-QGZVFWFLSA-N 0 3 292.398 2.907 50 0 CFAAHN CCN(CC)CCSc1nnc(N2CCCC2)s1 ZINC000181319220 380774770 /nfs/dbraw/zinc/77/47/70/380774770.db2.gz DBSCFKGKKUMHBQ-UHFFFAOYSA-N 0 3 286.470 2.572 50 0 CFAAHN Cc1cccnc1CN1CCC(O)(c2ccccc2)CC1 ZINC000185527312 381658791 /nfs/dbraw/zinc/65/87/91/381658791.db2.gz GZBQTUGKGODOBH-UHFFFAOYSA-N 0 3 282.387 2.874 50 0 CFAAHN COc1cc(OC)cc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)c1 ZINC000299872816 382051045 /nfs/dbraw/zinc/05/10/45/382051045.db2.gz NMEBYIBYZUPXFM-IXDOHACOSA-N 0 3 291.391 2.660 50 0 CFAAHN C[C@@H](CN1CC[C@H](CO)C1)c1cccc(Cl)c1 ZINC000187103744 382100863 /nfs/dbraw/zinc/10/08/63/382100863.db2.gz MMFRHRRTGDGTNL-RYUDHWBXSA-N 0 3 253.773 2.758 50 0 CFAAHN Cc1ccc(C)c(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000328588786 382550156 /nfs/dbraw/zinc/55/01/56/382550156.db2.gz PZMDYKCGLGEHRH-KRWDZBQOSA-N 0 3 299.418 2.972 50 0 CFAAHN CN1CCN(CC[C@@H]2CCCO2)C2(CCCCC2)C1 ZINC000189512382 382618479 /nfs/dbraw/zinc/61/84/79/382618479.db2.gz MKSPUNXSCKHQRM-HNNXBMFYSA-N 0 3 266.429 2.506 50 0 CFAAHN CCN1CCN(c2cccc(NCc3ccccn3)c2)CC1 ZINC000191886238 382703115 /nfs/dbraw/zinc/70/31/15/382703115.db2.gz SRLXAALNGDPIPS-UHFFFAOYSA-N 0 3 296.418 2.836 50 0 CFAAHN CS[C@@H](C)CCN(C)Cc1cnc2ccccn12 ZINC000215470572 382778986 /nfs/dbraw/zinc/77/89/86/382778986.db2.gz MSMPOMMPPZSEGH-LBPRGKRZSA-N 0 3 263.410 2.908 50 0 CFAAHN c1cn(CCCOc2ccc(CN3CCC3)cc2)cn1 ZINC000215537454 382779076 /nfs/dbraw/zinc/77/90/76/382779076.db2.gz OLEIOCKFTYWEQZ-UHFFFAOYSA-N 0 3 271.364 2.558 50 0 CFAAHN CS[C@H](C)CCN(C)Cc1cnc2ccccn12 ZINC000215470620 382779223 /nfs/dbraw/zinc/77/92/23/382779223.db2.gz MSMPOMMPPZSEGH-GFCCVEGCSA-N 0 3 263.410 2.908 50 0 CFAAHN COC[C@@H]1CCCN1Cc1cnn(-c2cccc(F)c2)c1 ZINC000215881766 382780697 /nfs/dbraw/zinc/78/06/97/382780697.db2.gz UOVSOPNSMUWQLF-INIZCTEOSA-N 0 3 289.354 2.622 50 0 CFAAHN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc2nonc2c1 ZINC000215893538 382780958 /nfs/dbraw/zinc/78/09/58/382780958.db2.gz IOFUPBJBANLGIW-UHFFFAOYSA-N 0 3 299.378 2.875 50 0 CFAAHN CCOC[C@H]1CCCN1Cc1ccc(OC)c(COC)c1 ZINC000216347748 382783252 /nfs/dbraw/zinc/78/32/52/382783252.db2.gz SAEGMGKKSLABER-MRXNPFEDSA-N 0 3 293.407 2.843 50 0 CFAAHN Cc1nccn1CCN(C)Cc1ccc(-n2ccnc2)cc1 ZINC000216499041 382783430 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2.726 50 0 CFAAHN Cc1cccc(OCCN(C)Cc2ccc(C(N)=O)cc2)c1 ZINC000027374233 372341487 /nfs/dbraw/zinc/34/14/87/372341487.db2.gz OGYPVGGQGOBUCX-UHFFFAOYSA-N 0 3 298.386 2.605 50 0 CFAAHN COc1cccc([C@@H](O)CNCc2ccccc2)c1 ZINC000032110168 372428898 /nfs/dbraw/zinc/42/88/98/372428898.db2.gz MJTYNPILNLIVAJ-INIZCTEOSA-N 0 3 257.333 2.518 50 0 CFAAHN O=C(NC1CCN(C2CC2)CC1)c1ccc2ccccc2n1 ZINC000032752795 372460045 /nfs/dbraw/zinc/46/00/45/372460045.db2.gz WXJAZKMWEGLKTP-UHFFFAOYSA-N 0 3 295.386 2.591 50 0 CFAAHN CCC(=O)O[C@@]1(c2ccccc2C)CCN(C)[C@@H]1C ZINC000033865026 372502862 /nfs/dbraw/zinc/50/28/62/372502862.db2.gz AVJHHMSHPYWQSR-CJNGLKHVSA-N 0 3 261.365 2.868 50 0 CFAAHN Cc1ccc(-n2nnnc2C2(NC(C)C)CCCC2)cc1 ZINC000035622469 372550535 /nfs/dbraw/zinc/55/05/35/372550535.db2.gz MRAOEDJNOJVHND-UHFFFAOYSA-N 0 3 285.395 2.738 50 0 CFAAHN Cc1ccc(CN(C[C@@H](O)COC(C)(C)C)C(C)C)o1 ZINC000036097724 372558601 /nfs/dbraw/zinc/55/86/01/372558601.db2.gz MRJYILJYQBNSMW-CQSZACIVSA-N 0 3 283.412 2.974 50 0 CFAAHN CN(Cc1cccnc1)c1cccc(Cl)c1CN ZINC000036771543 372591358 /nfs/dbraw/zinc/59/13/58/372591358.db2.gz YNPNHZJWBXDKDB-UHFFFAOYSA-N 0 3 261.756 2.830 50 0 CFAAHN C[C@H](Cc1cccs1)NC(=O)C[C@@H](N)c1ccccc1 ZINC000037021036 372635248 /nfs/dbraw/zinc/63/52/48/372635248.db2.gz WBUJCBOUJCGIRH-IUODEOHRSA-N 0 3 288.416 2.885 50 0 CFAAHN Cc1cccc(CN[C@H]2CCCc3c2cnn3C)c1 ZINC000037024059 372637913 /nfs/dbraw/zinc/63/79/13/372637913.db2.gz YAEZAILHLOWTJI-HNNXBMFYSA-N 0 3 255.365 2.896 50 0 CFAAHN O[C@H](CNCc1ccccc1)c1ccc(F)c(F)c1 ZINC000037863654 372730126 /nfs/dbraw/zinc/73/01/26/372730126.db2.gz VSJFIUYQHPYCJP-OAHLLOKOSA-N 0 3 263.287 2.788 50 0 CFAAHN CC(C)CC(=O)Nc1ccc(NC(=O)[C@H](N)C(C)C)cc1 ZINC000040834789 372793707 /nfs/dbraw/zinc/79/37/07/372793707.db2.gz QRYXSLDXVNFJTK-OAHLLOKOSA-N 0 3 291.395 2.593 50 0 CFAAHN C[C@@H](CNC(=O)c1cc2ccccc2o1)N1CCCC1 ZINC000042503919 372928322 /nfs/dbraw/zinc/92/83/22/372928322.db2.gz XOCBSKGWLSSGAA-LBPRGKRZSA-N 0 3 272.348 2.647 50 0 CFAAHN Cc1ccc2nc(C)c(C(=O)NC[C@H]3CCCN3C)cc2c1 ZINC000048324867 373163046 /nfs/dbraw/zinc/16/30/46/373163046.db2.gz ZAMIVMHCSKYDOH-OAHLLOKOSA-N 0 3 297.402 2.676 50 0 CFAAHN CSc1ccc(CNc2cc(C)nc(N)n2)cc1 ZINC000048962865 373241277 /nfs/dbraw/zinc/24/12/77/373241277.db2.gz BTHOFUAJTCHPHI-UHFFFAOYSA-N 0 3 260.366 2.701 50 0 CFAAHN COCCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000051560134 373401503 /nfs/dbraw/zinc/40/15/03/373401503.db2.gz PUNOODDLDKSOHP-AWEZNQCLSA-N 0 3 277.364 2.631 50 0 CFAAHN Cc1noc(C)c1CN1CCCN(Cc2ccccc2)CC1 ZINC000054992866 373532308 /nfs/dbraw/zinc/53/23/08/373532308.db2.gz IFASPWXUVNVHQD-UHFFFAOYSA-N 0 3 299.418 2.999 50 0 CFAAHN CCN1CCC[C@@H]1CNC(=O)CCc1c[nH]c2ccccc12 ZINC000057159575 373581298 /nfs/dbraw/zinc/58/12/98/373581298.db2.gz ZSZQWRLYJPBRTM-OAHLLOKOSA-N 0 3 299.418 2.701 50 0 CFAAHN Cn1cc(CNCc2ccncc2)c2ccccc21 ZINC000057353195 373589243 /nfs/dbraw/zinc/58/92/43/373589243.db2.gz DLDJMLUEUAUWHB-UHFFFAOYSA-N 0 3 251.333 2.863 50 0 CFAAHN C/C=C/CC(=O)N(CCN(C)C)Cc1sccc1C ZINC000055119284 373542487 /nfs/dbraw/zinc/54/24/87/373542487.db2.gz KSBMDOZVLOJGQX-AATRIKPKSA-N 0 3 280.437 2.913 50 0 CFAAHN C[C@H]1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000057503260 373596144 /nfs/dbraw/zinc/59/61/44/373596144.db2.gz MHMVGYMCWQSOIW-NSHDSACASA-N 0 3 291.782 2.722 50 0 CFAAHN COc1cccc(C(=O)N(CCN(C)C)c2ccccc2)c1 ZINC000058155873 373626997 /nfs/dbraw/zinc/62/69/97/373626997.db2.gz LURQSPMBFJXRQJ-UHFFFAOYSA-N 0 3 298.386 2.904 50 0 CFAAHN CCN(C(C)=O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058311724 373644629 /nfs/dbraw/zinc/64/46/29/373644629.db2.gz AQJCTIIATUSJFQ-XJKSGUPXSA-N 0 3 260.381 2.690 50 0 CFAAHN CN(C)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000057881274 373616775 /nfs/dbraw/zinc/61/67/75/373616775.db2.gz GZEXWUJOIOJQMN-LLVKDONJSA-N 0 3 283.322 2.523 50 0 CFAAHN Cc1nc(C(C)(C)C)sc1C(=O)NCCN(C)C1CC1 ZINC000061430340 373718537 /nfs/dbraw/zinc/71/85/37/373718537.db2.gz JKYSENTVLRIELJ-UHFFFAOYSA-N 0 3 295.452 2.573 50 0 CFAAHN CC1CCC(N(C)CC(=O)NC2CCCC2)CC1 ZINC000060942424 373708614 /nfs/dbraw/zinc/70/86/14/373708614.db2.gz AFCNUBBZQGAMCO-UHFFFAOYSA-N 0 3 252.402 2.556 50 0 CFAAHN COC[C@@H](C)NCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000065525546 373882982 /nfs/dbraw/zinc/88/29/82/373882982.db2.gz MCKPFAGODNDEGW-LLVKDONJSA-N 0 3 291.370 2.753 50 0 CFAAHN CC(C)=CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000065938790 373904153 /nfs/dbraw/zinc/90/41/53/373904153.db2.gz KESJGNKDMGXUFL-UHFFFAOYSA-N 0 3 296.361 2.821 50 0 CFAAHN FCCCN1CC=C(c2cnn(-c3ccccn3)c2)CC1 ZINC000065375784 373862268 /nfs/dbraw/zinc/86/22/68/373862268.db2.gz BIAJNXUAWYQVJF-UHFFFAOYSA-N 0 3 286.354 2.716 50 0 CFAAHN C[C@@H](Cc1ccccn1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000065395416 373863865 /nfs/dbraw/zinc/86/38/65/373863865.db2.gz SIZUKBPZUGRNPC-AWEZNQCLSA-N 0 3 298.386 2.916 50 0 CFAAHN CC(C)=Cc1c(-c2ccccc2)ncn1C[C@H]1CNCCO1 ZINC000065387147 373864143 /nfs/dbraw/zinc/86/41/43/373864143.db2.gz PZIFHBDGWGMLDM-MRXNPFEDSA-N 0 3 297.402 2.962 50 0 CFAAHN CC(=O)Nc1ccc(CN2CCN(C(C)C)[C@H](C)C2)cc1 ZINC000065419477 373868858 /nfs/dbraw/zinc/86/88/58/373868858.db2.gz BBWGUIMMFKDRME-CQSZACIVSA-N 0 3 289.423 2.560 50 0 CFAAHN C[C@H](Cn1cncn1)NCc1ccc2sccc2c1 ZINC000065433853 373870276 /nfs/dbraw/zinc/87/02/76/373870276.db2.gz BIQWIOXDMGXPHX-LLVKDONJSA-N 0 3 272.377 2.671 50 0 CFAAHN CCc1cnc(C)nc1NCCN1CCCCCC1 ZINC000065435510 373873668 /nfs/dbraw/zinc/87/36/68/373873668.db2.gz BYSWFQNZODCTOD-UHFFFAOYSA-N 0 3 262.401 2.635 50 0 CFAAHN C(=C/c1cccc(N2CCNCC2)n1)\c1ccccc1 ZINC000067712983 373994911 /nfs/dbraw/zinc/99/49/11/373994911.db2.gz ANOGCGNGOIQIKU-MDZDMXLPSA-N 0 3 265.360 2.662 50 0 CFAAHN CN1CCC[C@H](CNC(=O)CCCc2cccs2)C1 ZINC000067773633 374001912 /nfs/dbraw/zinc/00/19/12/374001912.db2.gz GIODROPYOVDZAT-CYBMUJFWSA-N 0 3 280.437 2.529 50 0 CFAAHN CCCc1cc(CN[C@H]2CCN(Cc3ccccc3)C2)on1 ZINC000067790056 374001948 /nfs/dbraw/zinc/00/19/48/374001948.db2.gz UCMPFPDNTBGITH-KRWDZBQOSA-N 0 3 299.418 2.991 50 0 CFAAHN Cc1nc[nH]c1CN1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 ZINC000067819865 374006390 /nfs/dbraw/zinc/00/63/90/374006390.db2.gz QYYUFFYCXSWNIX-FUHWJXTLSA-N 0 3 299.418 2.534 50 0 CFAAHN CCc1ccccc1-c1cccc(N2CCNCC2)n1 ZINC000067833807 374007057 /nfs/dbraw/zinc/00/70/57/374007057.db2.gz YINRIENHPCLCSI-UHFFFAOYSA-N 0 3 267.376 2.721 50 0 CFAAHN COc1cc(-c2cccs2)cc2c1OCCNC2 ZINC000067973570 374017971 /nfs/dbraw/zinc/01/79/71/374017971.db2.gz QKPOAUPXFNLXKR-UHFFFAOYSA-N 0 3 261.346 2.906 50 0 CFAAHN CC(C)c1csc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)n1 ZINC000067965624 374018569 /nfs/dbraw/zinc/01/85/69/374018569.db2.gz WEOZCSBOEJWETB-NWDGAFQWSA-N 0 3 293.436 2.575 50 0 CFAAHN FC(F)(F)CCN1CCC[C@@H](Cn2ccnc2)C1 ZINC000067649859 373987323 /nfs/dbraw/zinc/98/73/23/373987323.db2.gz KYFZXHCXGSZBBK-LLVKDONJSA-N 0 3 261.291 2.548 50 0 CFAAHN Cc1ccsc1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000069052732 374045370 /nfs/dbraw/zinc/04/53/70/374045370.db2.gz DQPQJOYBGYWKAU-UHFFFAOYSA-N 0 3 272.373 2.955 50 0 CFAAHN Cc1cnn([C@@H](C)[C@H](C)NCc2c(C)noc2C)c1 ZINC000069493102 374067619 /nfs/dbraw/zinc/06/76/19/374067619.db2.gz YFXMUPUDFJRLFP-JQWIXIFHSA-N 0 3 262.357 2.536 50 0 CFAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000069571155 374074911 /nfs/dbraw/zinc/07/49/11/374074911.db2.gz SBPSTKIOKIZLLH-IRXDYDNUSA-N 0 3 297.402 2.867 50 0 CFAAHN Cc1cnn(C[C@@H]2CCCCN2C[C@H](O)c2ccccc2)c1 ZINC000069663380 374083551 /nfs/dbraw/zinc/08/35/51/374083551.db2.gz GSGHZOICZLKUNR-ROUUACIJSA-N 0 3 299.418 2.780 50 0 CFAAHN Cc1nn(C)c(Cl)c1CNCCc1ccccc1 ZINC000070006062 374115320 /nfs/dbraw/zinc/11/53/20/374115320.db2.gz IEQAXFAVKKCQSG-UHFFFAOYSA-N 0 3 263.772 2.714 50 0 CFAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000069709487 374089057 /nfs/dbraw/zinc/08/90/57/374089057.db2.gz WSMPWDFCLKOMTB-QWRGUYRKSA-N 0 3 282.771 2.632 50 0 CFAAHN Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)ccc1F ZINC000069810856 374100752 /nfs/dbraw/zinc/10/07/52/374100752.db2.gz XHIOEHOJOFSENV-HZPDHXFCSA-N 0 3 290.382 2.833 50 0 CFAAHN CC[C@@H]1CN(CCCc2ccccc2)CCN1CCOC ZINC000069844779 374104263 /nfs/dbraw/zinc/10/42/63/374104263.db2.gz NGAMXVKBFHKAJE-GOSISDBHSA-N 0 3 290.451 2.662 50 0 CFAAHN CCO[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000071915709 374232095 /nfs/dbraw/zinc/23/20/95/374232095.db2.gz OANBSOKSFGKUKX-OAHLLOKOSA-N 0 3 286.375 2.529 50 0 CFAAHN CCN1CCC[C@@H](c2nccn2-c2ccc3c[nH]nc3c2)C1 ZINC000071762340 374221183 /nfs/dbraw/zinc/22/11/83/374221183.db2.gz ZJFOTERVNAXQGN-CQSZACIVSA-N 0 3 295.390 2.948 50 0 CFAAHN c1cc(CN(C[C@@H]2CCCO2)C2CCCC2)on1 ZINC000072716240 374280606 /nfs/dbraw/zinc/28/06/06/374280606.db2.gz FBYQYALWTWCLSN-ZDUSSCGKSA-N 0 3 250.342 2.598 50 0 CFAAHN Cc1cccnc1N1CCN(CC2CCCC2)CC1 ZINC000072146240 374234580 /nfs/dbraw/zinc/23/45/80/374234580.db2.gz CVIKTIHZZYESAE-UHFFFAOYSA-N 0 3 259.397 2.702 50 0 CFAAHN COc1ccc(F)cc1CN[C@@H](C)[C@H](C)n1cccn1 ZINC000072269775 374237803 /nfs/dbraw/zinc/23/78/03/374237803.db2.gz XETBRLHWSBCNLN-RYUDHWBXSA-N 0 3 277.343 2.770 50 0 CFAAHN CCN(Cc1cccnc1)C[C@@H](O)c1ccc(C)cc1 ZINC000076015782 374520371 /nfs/dbraw/zinc/52/03/71/374520371.db2.gz KJKONMDQDZUKQY-QGZVFWFLSA-N 0 3 270.376 2.946 50 0 CFAAHN CCS[C@@H]1CC[C@H](N(C)CC(=O)NCc2ccco2)C1 ZINC000076068834 374528929 /nfs/dbraw/zinc/52/89/29/374528929.db2.gz DSYZUKPBTYFZLS-GXTWGEPZSA-N 0 3 296.436 2.502 50 0 CFAAHN CCc1ccc([C@@H]2C[C@H](C)CCN2CCn2cncn2)o1 ZINC000076145200 374535328 /nfs/dbraw/zinc/53/53/28/374535328.db2.gz ZZMOXGTWEAPLSJ-HIFRSBDPSA-N 0 3 288.395 2.907 50 0 CFAAHN CC[C@H]1COCCN1Cc1ccc(CN2CCCC2)s1 ZINC000077439786 374561640 /nfs/dbraw/zinc/56/16/40/374561640.db2.gz MZKGAWNZSQMGSI-AWEZNQCLSA-N 0 3 294.464 2.955 50 0 CFAAHN Cc1n[nH]cc1CN[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000078552986 374568730 /nfs/dbraw/zinc/56/87/30/374568730.db2.gz UMFCHFGVXDEKTJ-YOEHRIQHSA-N 0 3 284.407 2.643 50 0 CFAAHN CN(C)CCn1ccc(NCc2cc3ccccc3o2)n1 ZINC000079093396 374594811 /nfs/dbraw/zinc/59/48/11/374594811.db2.gz LEIQPPIQYSGZSN-UHFFFAOYSA-N 0 3 284.363 2.803 50 0 CFAAHN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)N ZINC000079420286 374609969 /nfs/dbraw/zinc/60/99/69/374609969.db2.gz SWXXMSKKFNCQJY-QMMMGPOBSA-N 0 3 275.179 2.689 50 0 CFAAHN Cc1ncc(CN[C@H]2CCC[C@@]2(C)CO)n1-c1ccccc1 ZINC000084048213 374761335 /nfs/dbraw/zinc/76/13/35/374761335.db2.gz MHDUTSXATREFOA-ROUUACIJSA-N 0 3 299.418 2.821 50 0 CFAAHN O=C(C1CCC1)N1CCCSC[C@@H]1CN1CCCCC1 ZINC000085473280 374802517 /nfs/dbraw/zinc/80/25/17/374802517.db2.gz YVHUBHSLBOBEFB-HNNXBMFYSA-N 0 3 296.480 2.607 50 0 CFAAHN Cc1cc(N)nc(NCCc2c[nH]c3ccccc23)n1 ZINC000084644190 374785271 /nfs/dbraw/zinc/78/52/71/374785271.db2.gz SOWVVQCHPBVCQO-UHFFFAOYSA-N 0 3 267.336 2.503 50 0 CFAAHN COc1ccc(OC)c(CNCCc2nc(C)oc2C)c1 ZINC000089548028 374921487 /nfs/dbraw/zinc/92/14/87/374921487.db2.gz SBMLROKPOSSELF-UHFFFAOYSA-N 0 3 290.363 2.641 50 0 CFAAHN C[C@@H](CC(N)=O)NCc1ccc(-c2ccccc2F)s1 ZINC000089894492 374965404 /nfs/dbraw/zinc/96/54/04/374965404.db2.gz CTKWVVYDDQWUAG-JTQLQIEISA-N 0 3 292.379 2.908 50 0 CFAAHN CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(Cl)o1 ZINC000089948960 374974739 /nfs/dbraw/zinc/97/47/39/374974739.db2.gz PQCOJTULFLTGJK-WCQYABFASA-N 0 3 284.787 2.670 50 0 CFAAHN CCNC(=O)N1CC[C@H](N[C@H](C)c2sccc2C)C1 ZINC000090411746 375013721 /nfs/dbraw/zinc/01/37/21/375013721.db2.gz HUUZELUZOSVQSX-NEPJUHHUSA-N 0 3 281.425 2.511 50 0 CFAAHN Cc1ccc([C@@H](O)CN[C@H](C)c2cccnc2)cc1 ZINC000092740220 375147475 /nfs/dbraw/zinc/14/74/75/375147475.db2.gz PZZNJZGAADRDCA-CJNGLKHVSA-N 0 3 256.349 2.774 50 0 CFAAHN CC1CCC(CN2CCN(CC(F)F)CC2)CC1 ZINC000092586831 375126863 /nfs/dbraw/zinc/12/68/63/375126863.db2.gz GLKIGVWDOLDCEA-UHFFFAOYSA-N 0 3 260.372 2.695 50 0 CFAAHN CN(CCc1cccs1)C(=O)C[C@H](N)c1ccccc1 ZINC000093289432 375204246 /nfs/dbraw/zinc/20/42/46/375204246.db2.gz WTSSQRQHCIHIQV-HNNXBMFYSA-N 0 3 288.416 2.839 50 0 CFAAHN CC[C@H](O)[C@H]1CCCCN1Cc1cnn(C(C)(C)C)c1 ZINC000093322565 375209671 /nfs/dbraw/zinc/20/96/71/375209671.db2.gz XZSCDPMBMFSXDX-CABCVRRESA-N 0 3 279.428 2.764 50 0 CFAAHN CC(C)N(Cc1cc(C(N)=O)cs1)C[C@@H]1C[C@@H]1C ZINC000093661803 375291184 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/nfs/dbraw/zinc/73/38/90/377733890.db2.gz XTZZDGAGSLXOLZ-VHSXEESVSA-N 0 3 253.367 2.817 50 0 CFAAHN Cc1ccc(F)c(CN2CCC[C@H]([C@@H](C)O)C2)c1 ZINC000136832002 378210818 /nfs/dbraw/zinc/21/08/18/378210818.db2.gz RXNWDGOQBSECFP-OLZOCXBDSA-N 0 3 251.345 2.727 50 0 CFAAHN O[C@@H](CN1CCCN(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000145715595 378250521 /nfs/dbraw/zinc/25/05/21/378250521.db2.gz OUQCGNWQPNRZLX-INIZCTEOSA-N 0 3 294.826 2.544 50 0 CFAAHN CN(CCc1ccncc1)Cc1cnn(C(C)(C)C)c1 ZINC000170594888 379121654 /nfs/dbraw/zinc/12/16/54/379121654.db2.gz ZNPQBFDLLNMJDI-UHFFFAOYSA-N 0 3 272.396 2.708 50 0 CFAAHN CCN(CC)C(=O)[C@@H](C)N1CCC(c2ccncc2)CC1 ZINC000170613606 379129401 /nfs/dbraw/zinc/12/94/01/379129401.db2.gz BGGPPKQGBALTQO-CQSZACIVSA-N 0 3 289.423 2.518 50 0 CFAAHN CN1CCC(C(=O)N2CCC[C@H](CC(F)(F)F)C2)CC1 ZINC000335487494 379387301 /nfs/dbraw/zinc/38/73/01/379387301.db2.gz MCUUZHBFHYPNET-LLVKDONJSA-N 0 3 292.345 2.519 50 0 CFAAHN COC(=O)CCCN1CCCC[C@H]1c1cccn1C ZINC000175142224 380005136 /nfs/dbraw/zinc/00/51/36/380005136.db2.gz IYCPLUHDUOSDNQ-AWEZNQCLSA-N 0 3 264.369 2.505 50 0 CFAAHN Cc1nc2ccccc2c(N2CC[C@H](CC(N)=O)C2)c1C ZINC000367927236 380857759 /nfs/dbraw/zinc/85/77/59/380857759.db2.gz NSYOYBVJFSTQKB-CYBMUJFWSA-N 0 3 283.375 2.553 50 0 CFAAHN COc1ccc([C@@H]2OC[C@H](CN3CCCCC3)O2)cc1 ZINC000000187163 169568215 /nfs/dbraw/zinc/56/82/15/169568215.db2.gz ADGBENJAAOINKA-JKSUJKDBSA-N 0 3 277.364 2.595 50 0 CFAAHN Cc1nccnc1CCNCc1ccc(Cl)s1 ZINC000293133974 382001590 /nfs/dbraw/zinc/00/15/90/382001590.db2.gz SZXCPARXDICUCH-UHFFFAOYSA-N 0 3 267.785 2.832 50 0 CFAAHN CN(CC(=O)NCc1ccc2ccccc2n1)C1CCCC1 ZINC000299793304 382048579 /nfs/dbraw/zinc/04/85/79/382048579.db2.gz IMFZIGNDFREAEX-UHFFFAOYSA-N 0 3 297.402 2.725 50 0 CFAAHN CCc1ccc(CN2CCC[C@H]2Cn2ccnc2)o1 ZINC000188411301 382409711 /nfs/dbraw/zinc/40/97/11/382409711.db2.gz LXWRFQGWSZLAHJ-ZDUSSCGKSA-N 0 3 259.353 2.703 50 0 CFAAHN COc1ccccc1/C=C/CN1CCC[C@H](O)CC1 ZINC000294086948 382409842 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/nfs/dbraw/zinc/78/34/69/382783469.db2.gz QTTJLNXDWPGXPO-QGZVFWFLSA-N 0 3 299.418 2.703 50 0 CFAAHN CC(C)[C@@H](C(=O)OCC1(N(C)C)CCC1)N1CCCCC1 ZINC000225857093 382822902 /nfs/dbraw/zinc/82/29/02/382822902.db2.gz LOLZQKMCQYBGNA-HNNXBMFYSA-N 0 3 296.455 2.524 50 0 CFAAHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C)o2)C1 ZINC000229857503 382853452 /nfs/dbraw/zinc/85/34/52/382853452.db2.gz RVVBSQPSERVZQA-IAISJRAMSA-N 0 3 269.410 2.757 50 0 CFAAHN CCO[C@H]1C[C@H](NCc2ccno2)C12CCCCC2 ZINC000231880572 382867695 /nfs/dbraw/zinc/86/76/95/382867695.db2.gz CQBGIHRBXMSRDT-KBPBESRZSA-N 0 3 264.369 2.892 50 0 CFAAHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1cncs1 ZINC000241144935 382984025 /nfs/dbraw/zinc/98/40/25/382984025.db2.gz JUFNGTKQIAXQNF-CZUORRHYSA-N 0 3 287.432 2.753 50 0 CFAAHN CCN(CC)C[C@H](N[C@@H]1CCO[C@H]1C)c1ccccc1 ZINC000242178832 382985686 /nfs/dbraw/zinc/98/56/86/382985686.db2.gz XBGBABYWGPVGGP-UAGQMJEPSA-N 0 3 276.424 2.837 50 0 CFAAHN CC(C)Oc1ccccc1OCCN(C)CC1(C)COC1 ZINC000244795984 382992386 /nfs/dbraw/zinc/99/23/86/382992386.db2.gz RQTAGZZXCAINMG-UHFFFAOYSA-N 0 3 293.407 2.821 50 0 CFAAHN Cc1cc([C@H]2CCCN2CCCn2ccnc2C)on1 ZINC000244884343 382994577 /nfs/dbraw/zinc/99/45/77/382994577.db2.gz YKNBEWZRBFAGNG-CQSZACIVSA-N 0 3 274.368 2.715 50 0 CFAAHN C[C@H](c1ccccn1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245735405 383029673 /nfs/dbraw/zinc/02/96/73/383029673.db2.gz WPCIPBUKEPRQOK-IIAWOOMASA-N 0 3 270.380 2.922 50 0 CFAAHN COCCN1CCN([C@H](C)CCc2ccccc2)C[C@@H]1C ZINC000106776803 532971602 /nfs/dbraw/zinc/97/16/02/532971602.db2.gz WVOWAMIWMAHPIN-SJORKVTESA-N 0 3 290.451 2.660 50 0 CFAAHN C[C@H](N[C@@H]1CCCn2ncnc21)[C@H]1CC2CCC1CC2 ZINC000585117083 383114684 /nfs/dbraw/zinc/11/46/84/383114684.db2.gz QMBNCJIFOVBFIS-HTXSYXIBSA-N 0 3 274.412 2.917 50 0 CFAAHN C[C@H](NC[C@@H](O)c1ccccc1Cl)[C@H](C)n1cccn1 ZINC000248238434 383220689 /nfs/dbraw/zinc/22/06/89/383220689.db2.gz FVRMCZYCHFNMFI-SLEUVZQESA-N 0 3 293.798 2.809 50 0 CFAAHN Cc1cc(Cl)ccc1CN1CC[C@H]([C@H](C)O)C1 ZINC000248757430 383288384 /nfs/dbraw/zinc/28/83/84/383288384.db2.gz VMAMOKVKDSNLMQ-AAEUAGOBSA-N 0 3 253.773 2.851 50 0 CFAAHN CCn1nccc1CCN1CCS[C@@H]2CCCC[C@H]21 ZINC000253419817 383456898 /nfs/dbraw/zinc/45/68/98/383456898.db2.gz CXAOHTOHMZDYMS-HUUCEWRRSA-N 0 3 279.453 2.806 50 0 CFAAHN CC[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1ccccc1F ZINC000252571967 383420349 /nfs/dbraw/zinc/42/03/49/383420349.db2.gz YOQVJUKLNKCWKT-RCBQFDQVSA-N 0 3 280.387 2.586 50 0 CFAAHN Fc1ccc(/C=C\CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000255728827 383486467 /nfs/dbraw/zinc/48/64/67/383486467.db2.gz DJMLQVGAYZIVRL-SSCKWRJFSA-N 0 3 286.354 2.768 50 0 CFAAHN CCN(Cc1ccncc1)C(=O)[C@H](N)CC1CCCCC1 ZINC000261698585 383544237 /nfs/dbraw/zinc/54/42/37/383544237.db2.gz OAWXXHVUHRIEQX-MRXNPFEDSA-N 0 3 289.423 2.728 50 0 CFAAHN CCc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)nc1 ZINC000645077814 385177595 /nfs/dbraw/zinc/17/75/95/385177595.db2.gz HEGWZEBJZVHQMJ-AWEZNQCLSA-N 0 3 270.380 2.747 50 0 CFAAHN C[C@@H](C(=O)N1CCC[C@@H]1c1ccc[nH]1)N1CCCCCC1 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ZINC000047339477 393587048 /nfs/dbraw/zinc/58/70/48/393587048.db2.gz POXGIUMFSBSCPG-UHFFFAOYSA-N 0 3 288.435 2.734 50 0 CFAAHN Cc1ccnc(C[C@H](C)[N@H+](C)Cc2nc(C)ccc2[O-])c1 ZINC000055042184 393619095 /nfs/dbraw/zinc/61/90/95/393619095.db2.gz IASDVYRIMHTAFQ-AWEZNQCLSA-N 0 3 285.391 2.862 50 0 CFAAHN Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2nc(C)ccc2[O-])c1 ZINC000055042184 393619097 /nfs/dbraw/zinc/61/90/97/393619097.db2.gz IASDVYRIMHTAFQ-AWEZNQCLSA-N 0 3 285.391 2.862 50 0 CFAAHN Cc1csc2c1ncnc2N1CCCN(C2CC2)CC1 ZINC000192544582 393625598 /nfs/dbraw/zinc/62/55/98/393625598.db2.gz ANNWFCNEJYVHAL-UHFFFAOYSA-N 0 3 288.420 2.674 50 0 CFAAHN FC(F)(F)c1cc([C@H]2CCCCN2)nc2nccn21 ZINC000072343513 393650563 /nfs/dbraw/zinc/65/05/63/393650563.db2.gz JLSIRVFVGNTXTD-MRVPVSSYSA-N 0 3 270.258 2.563 50 0 CFAAHN CCOC(=O)[C@H]1CCC[C@@H]1NCc1ccc(F)cc1 ZINC000090461731 393778132 /nfs/dbraw/zinc/77/81/32/393778132.db2.gz JJZRERDJXSZNIT-KBPBESRZSA-N 0 3 265.328 2.647 50 0 CFAAHN CCOC(=O)[C@@H]1CCC[C@H]1NCc1ccc(F)cc1 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ZINC000016941690 372121457 /nfs/dbraw/zinc/12/14/57/372121457.db2.gz LOIVBKCFMIUART-UHFFFAOYSA-N 0 3 251.333 2.863 50 0 CFAAHN CC[C@H](C)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000019361684 372157113 /nfs/dbraw/zinc/15/71/13/372157113.db2.gz FPTVJLWNSJEHSF-AWEZNQCLSA-N 0 3 262.397 2.611 50 0 CFAAHN c1ccc(CCCN2CCN(Cc3ccncc3)CC2)cc1 ZINC000019371125 372158600 /nfs/dbraw/zinc/15/86/00/372158600.db2.gz CBIJCOBXRXLBPX-UHFFFAOYSA-N 0 3 295.430 2.832 50 0 CFAAHN CC[C@H](C)N1CCN(Cc2cccc(OC)c2)CC1 ZINC000019499942 372170599 /nfs/dbraw/zinc/17/05/99/372170599.db2.gz YQZVAOGNUPXXQN-AWEZNQCLSA-N 0 3 262.397 2.611 50 0 CFAAHN CN1CCCN(Cc2ccc(Br)cc2)CC1 ZINC000019536278 372173089 /nfs/dbraw/zinc/17/30/89/372173089.db2.gz WQUWRVLHCKJAMG-UHFFFAOYSA-N 0 3 283.213 2.587 50 0 CFAAHN CCc1ccc([C@@H](N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000019968539 372218250 /nfs/dbraw/zinc/21/82/50/372218250.db2.gz NKOHNTVXLLKRLW-MRXNPFEDSA-N 0 3 289.400 2.701 50 0 CFAAHN COc1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000019972664 372218516 /nfs/dbraw/zinc/21/85/16/372218516.db2.gz RFWKBJYHLUKBGF-UHFFFAOYSA-N 0 3 274.408 2.755 50 0 CFAAHN COc1ccccc1OCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000020118701 372232939 /nfs/dbraw/zinc/23/29/39/372232939.db2.gz SGZOVOBZCNFWSZ-GJZGRUSLSA-N 0 3 293.407 2.963 50 0 CFAAHN CC(C)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019789147 372187968 /nfs/dbraw/zinc/18/79/68/372187968.db2.gz GUDBVFSMLGFDGT-UHFFFAOYSA-N 0 3 252.789 2.866 50 0 CFAAHN CC(C)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019788570 372188505 /nfs/dbraw/zinc/18/85/05/372188505.db2.gz UGXWZQVYKQSEEC-UHFFFAOYSA-N 0 3 297.240 2.975 50 0 CFAAHN C[C@@H]1CCCC[C@@H]1N1CCN(Cc2ccco2)CC1 ZINC000019842530 372197942 /nfs/dbraw/zinc/19/79/42/372197942.db2.gz OBEKVAIXWZADAK-ZBFHGGJFSA-N 0 3 262.397 2.976 50 0 CFAAHN CC1CCC(N2CCN(Cc3ccco3)CC2)CC1 ZINC000019842542 372197956 /nfs/dbraw/zinc/19/79/56/372197956.db2.gz HSLMEWBWHFEHLS-UHFFFAOYSA-N 0 3 262.397 2.976 50 0 CFAAHN c1cc(CN2CCN(C[C@H]3CC=CCC3)CC2)ccn1 ZINC000019900018 372203287 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372334313 /nfs/dbraw/zinc/33/43/13/372334313.db2.gz OUROPEJPFKZDNN-ZDUSSCGKSA-N 0 3 287.407 2.869 50 0 CFAAHN C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc2c(c1)CCCC2 ZINC000035055253 372535907 /nfs/dbraw/zinc/53/59/07/372535907.db2.gz RBKXDYYZRCZAQQ-CXAGYDPISA-N 0 3 286.419 2.885 50 0 CFAAHN O=C(Nc1ccc2c(c1)CNCC2)c1ccc(Cl)nc1 ZINC000097019673 284327649 /nfs/dbraw/zinc/32/76/49/284327649.db2.gz YJFBVLDVFDXNLR-UHFFFAOYSA-N 0 3 287.750 2.633 50 0 CFAAHN Cc1nc([C@H](C)NC2CCN(C(=O)C3CC3)CC2)cs1 ZINC000037142847 372655073 /nfs/dbraw/zinc/65/50/73/372655073.db2.gz ADOFRSWUSZPVCM-JTQLQIEISA-N 0 3 293.436 2.503 50 0 CFAAHN C[C@@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000037648377 372685421 /nfs/dbraw/zinc/68/54/21/372685421.db2.gz IDSHXFJUBGWZMS-VXGBXAGGSA-N 0 3 287.329 2.616 50 0 CFAAHN COc1cccc(CNC[C@@H](O)c2ccc(F)cc2)c1 ZINC000037856567 372725904 /nfs/dbraw/zinc/72/59/04/372725904.db2.gz DVCBYUGSCXPBMH-MRXNPFEDSA-N 0 3 275.323 2.658 50 0 CFAAHN NC(=O)[C@@H](NC1CCCC1)c1ccc(Br)cc1 ZINC000037968885 372742146 /nfs/dbraw/zinc/74/21/46/372742146.db2.gz MKXQHDARFZDXFR-LBPRGKRZSA-N 0 3 297.196 2.508 50 0 CFAAHN CC[C@@H](CO)N[C@@H](C)c1ccc(Br)s1 ZINC000038002112 372759013 /nfs/dbraw/zinc/75/90/13/372759013.db2.gz NVAGHGPADPQEDU-YUMQZZPRSA-N 0 3 278.215 2.932 50 0 CFAAHN Cc1cc(N2CCN(C(=O)C(C)C)CC2)c2ccccc2n1 ZINC000040489118 372784745 /nfs/dbraw/zinc/78/47/45/372784745.db2.gz LKATWLVXWQUYFT-UHFFFAOYSA-N 0 3 297.402 2.848 50 0 CFAAHN Cc1ccc(OC2CCN(CCCO)CC2)cc1C ZINC000051992238 373424945 /nfs/dbraw/zinc/42/49/45/373424945.db2.gz GTBZNPVHXJKVHC-UHFFFAOYSA-N 0 3 263.381 2.529 50 0 CFAAHN Cc1cc(N2CCC(Nc3ccccc3C)CC2)nc(N)n1 ZINC000050955476 373386792 /nfs/dbraw/zinc/38/67/92/373386792.db2.gz OVEIEQYNQSNAON-UHFFFAOYSA-N 0 3 297.406 2.757 50 0 CFAAHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccnc2)C1 ZINC000054226649 373505949 /nfs/dbraw/zinc/50/59/49/373505949.db2.gz MICYARTYKFLPHK-YOEHRIQHSA-N 0 3 295.386 2.647 50 0 CFAAHN Cc1cc(NC(=O)CN[C@H](c2ccccc2)C(C)C)no1 ZINC000058074061 373625518 /nfs/dbraw/zinc/62/55/18/373625518.db2.gz INFATSXBKVCYBM-INIZCTEOSA-N 0 3 287.363 2.908 50 0 CFAAHN O=C(Nc1ccccc1F)N1CC[C@H](N2CCCC2)C1 ZINC000058310679 373644725 /nfs/dbraw/zinc/64/47/25/373644725.db2.gz AUTAHHDYAYDJGM-LBPRGKRZSA-N 0 3 277.343 2.528 50 0 CFAAHN CC[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NC1CC1 ZINC000058524022 373660755 /nfs/dbraw/zinc/66/07/55/373660755.db2.gz HBNDWULGNINPDI-SJORKVTESA-N 0 3 286.419 2.923 50 0 CFAAHN COCCCN(C)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000059487491 373680405 /nfs/dbraw/zinc/68/04/05/373680405.db2.gz CXBIKNOJKYZTCZ-ZDUSSCGKSA-N 0 3 291.313 2.707 50 0 CFAAHN CNC(=O)CC1CCN(Cc2ccnc3ccccc23)CC1 ZINC000065371735 373859070 /nfs/dbraw/zinc/85/90/70/373859070.db2.gz OIMKDYNPUONNOU-UHFFFAOYSA-N 0 3 297.402 2.583 50 0 CFAAHN Cc1cc(C)nc(N[C@@H](CN(C)C)c2ccccc2)n1 ZINC000065382760 373862108 /nfs/dbraw/zinc/86/21/08/373862108.db2.gz UJNIQWWQWGVBRT-HNNXBMFYSA-N 0 3 270.380 2.808 50 0 CFAAHN Cc1noc(C)c1CN(C)C[C@@H]1CCOC(C)(C)C1 ZINC000065394656 373864474 /nfs/dbraw/zinc/86/44/74/373864474.db2.gz OIJVOKCOYPVZHI-CYBMUJFWSA-N 0 3 266.385 2.928 50 0 CFAAHN C[C@H](c1ccncc1)N(C)Cc1cccc2nonc21 ZINC000065405251 373866556 /nfs/dbraw/zinc/86/65/56/373866556.db2.gz IJIWEBKXHXHXLQ-LLVKDONJSA-N 0 3 268.320 2.811 50 0 CFAAHN Cc1n[nH]cc1CNC1CCN(c2ccc(F)cc2)CC1 ZINC000065459187 373875983 /nfs/dbraw/zinc/87/59/83/373875983.db2.gz HPNGTHPBRARDOO-UHFFFAOYSA-N 0 3 288.370 2.616 50 0 CFAAHN CC(C)(C)OC(=O)N1CCNCC[C@@H]1c1ccccc1 ZINC000066054979 373910274 /nfs/dbraw/zinc/91/02/74/373910274.db2.gz QRWXTRAEXJUHPC-CQSZACIVSA-N 0 3 276.380 2.958 50 0 CFAAHN Cc1nc(CN[C@H](C)CCn2ccnc2C)cs1 ZINC000067740141 373996706 /nfs/dbraw/zinc/99/67/06/373996706.db2.gz KMVXMMZNQFQQIT-SNVBAGLBSA-N 0 3 264.398 2.525 50 0 CFAAHN CCCCN(CCCC)C(=O)C1=CCCN(C)C1 ZINC000067340261 373976886 /nfs/dbraw/zinc/97/68/86/373976886.db2.gz ZDVCTWMAIPFLFG-UHFFFAOYSA-N 0 3 252.402 2.677 50 0 CFAAHN Cc1ccc(-c2n[nH]cc2CN[C@@H](C)[C@@H](C)n2cccn2)o1 ZINC000069372223 374058231 /nfs/dbraw/zinc/05/82/31/374058231.db2.gz KZRZXZAYBXCIGL-QWHCGFSZSA-N 0 3 299.378 2.914 50 0 CFAAHN Cc1oc(C)c(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c1C ZINC000069659060 374082878 /nfs/dbraw/zinc/08/28/78/374082878.db2.gz VUPLHOKAFFESSJ-GJZGRUSLSA-N 0 3 290.407 2.904 50 0 CFAAHN COCCN1CCN([C@@H](C)CCc2ccccc2)C[C@H]1C ZINC000069976741 374114721 /nfs/dbraw/zinc/11/47/21/374114721.db2.gz WVOWAMIWMAHPIN-DLBZAZTESA-N 0 3 290.451 2.660 50 0 CFAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000069709482 374089547 /nfs/dbraw/zinc/08/95/47/374089547.db2.gz WSMPWDFCLKOMTB-MNOVXSKESA-N 0 3 282.771 2.632 50 0 CFAAHN Cc1nc2n(n1)C[C@@H](NCc1csc3ccccc13)CC2 ZINC000069772829 374095720 /nfs/dbraw/zinc/09/57/20/374095720.db2.gz BBMHDZOZLOFFKC-ZDUSSCGKSA-N 0 3 298.415 2.906 50 0 CFAAHN Cc1ccc(N2CCC[C@H](NCc3ccsc3)C2)nn1 ZINC000069817593 374101893 /nfs/dbraw/zinc/10/18/93/374101893.db2.gz BWNVMMJVOGQWNB-AWEZNQCLSA-N 0 3 288.420 2.605 50 0 CFAAHN Cc1nc(CNC(=O)[C@H](C(C)C)N2CCCCC2)cs1 ZINC000069877232 374107702 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/nfs/dbraw/zinc/52/03/06/374520306.db2.gz CSJQPNRKFMRGSW-AWEZNQCLSA-N 0 3 274.364 2.744 50 0 CFAAHN CCS[C@H]1CC[C@H](N(C)Cc2cnc(C)cn2)C1 ZINC000078947870 374576397 /nfs/dbraw/zinc/57/63/97/374576397.db2.gz HKULEZPUFWSDOV-KBPBESRZSA-N 0 3 265.426 2.891 50 0 CFAAHN CC(C)NC(=O)CN1CC[C@@H](CSc2ccccc2)C1 ZINC000078947812 374576968 /nfs/dbraw/zinc/57/69/68/374576968.db2.gz DBIHKCFONIKANW-CQSZACIVSA-N 0 3 292.448 2.625 50 0 CFAAHN CCS[C@@H]1CC[C@@H](N(C)Cc2cnc(C)cn2)C1 ZINC000078947874 374577439 /nfs/dbraw/zinc/57/74/39/374577439.db2.gz HKULEZPUFWSDOV-ZIAGYGMSSA-N 0 3 265.426 2.891 50 0 CFAAHN C/C(=C/c1ccccc1)CNC[C@@H]1CN(C2CC2)CCO1 ZINC000083812908 374756869 /nfs/dbraw/zinc/75/68/69/374756869.db2.gz UVJOGWQLSPZSKI-VHUCWBOISA-N 0 3 286.419 2.543 50 0 CFAAHN Cn1ccnc1[C@@H]1CCCN(CCC(F)(F)C(F)F)C1 ZINC000082126035 374728283 /nfs/dbraw/zinc/72/82/83/374728283.db2.gz HOKGVTQSOWWBDJ-SNVBAGLBSA-N 0 3 293.308 2.890 50 0 CFAAHN Clc1cc(Br)cc(N2CCNCC2)c1 ZINC000084666654 374787913 /nfs/dbraw/zinc/78/79/13/374787913.db2.gz DOAFMLFWTZHSBW-UHFFFAOYSA-N 0 3 275.577 2.512 50 0 CFAAHN C[C@@H](Cc1ccccc1Br)NCc1cc[nH]n1 ZINC000089904212 374966867 /nfs/dbraw/zinc/96/68/67/374966867.db2.gz WHSVCBHPKADUCG-JTQLQIEISA-N 0 3 294.196 2.893 50 0 CFAAHN CN(C[C@@H](O)c1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000089938676 374971885 /nfs/dbraw/zinc/97/18/85/374971885.db2.gz HULHJXZUEGRJGY-CHWSQXEVSA-N 0 3 271.813 2.811 50 0 CFAAHN Fc1cc(CN2CCC(c3nc[nH]n3)CC2)ccc1Cl ZINC000093646450 375284020 /nfs/dbraw/zinc/28/40/20/375284020.db2.gz GMWARVCDRFZNAB-UHFFFAOYSA-N 0 3 294.761 2.977 50 0 CFAAHN COc1c(CN(C)[C@@H](C)Cc2cccs2)c(C)nn1C ZINC000093706062 375303099 /nfs/dbraw/zinc/30/30/99/375303099.db2.gz FLGRXKOKDMFDSH-NSHDSACASA-N 0 3 293.436 2.862 50 0 CFAAHN c1ccc2c(c1)C[C@H](CN1CCSCC1)CCO2 ZINC000095504103 375460663 /nfs/dbraw/zinc/46/06/63/375460663.db2.gz PRYJHNFKRSUKFO-CYBMUJFWSA-N 0 3 263.406 2.677 50 0 CFAAHN C[C@H](NCC(=O)N1CCSc2ccccc21)C1CCC1 ZINC000095941337 375463035 /nfs/dbraw/zinc/46/30/35/375463035.db2.gz QGJDQPQZBHPWQF-LBPRGKRZSA-N 0 3 290.432 2.904 50 0 CFAAHN CC(C)CO[C@H]1C[C@@H](N(CC(N)=O)C2CCCC2)C1(C)C ZINC000096009225 375466669 /nfs/dbraw/zinc/46/66/69/375466669.db2.gz QEYALEIOZVTYGS-CABCVRRESA-N 0 3 296.455 2.556 50 0 CFAAHN CN1CCCC[C@@H]1CCn1sc2ccccc2c1=O ZINC000095367732 375421298 /nfs/dbraw/zinc/42/12/98/375421298.db2.gz NCZJNUUEPTZSLN-GFCCVEGCSA-N 0 3 276.405 2.937 50 0 CFAAHN C[C@H](CCCC(C)(C)O)CCN1CCc2nc[nH]c2C1 ZINC000095388074 375429296 /nfs/dbraw/zinc/42/92/96/375429296.db2.gz CWTCDHPXXZBULR-CYBMUJFWSA-N 0 3 279.428 2.735 50 0 CFAAHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1occc1C ZINC000095402523 375431701 /nfs/dbraw/zinc/43/17/01/375431701.db2.gz KARGBLSOTYVYDV-UKRRQHHQSA-N 0 3 290.407 2.715 50 0 CFAAHN OCCCCCN1CCS[C@@H](c2ccccc2)C1 ZINC000095398404 375432175 /nfs/dbraw/zinc/43/21/75/375432175.db2.gz NYVXIFSNACKSHH-OAHLLOKOSA-N 0 3 265.422 2.939 50 0 CFAAHN CC[C@@H](COc1ccccc1)N[C@@H](C)c1cnn(C)c1 ZINC000095422428 375440664 /nfs/dbraw/zinc/44/06/64/375440664.db2.gz WRMHKQSBGPNDJG-ZFWWWQNUSA-N 0 3 273.380 2.928 50 0 CFAAHN Cc1ccc([C@@H](C)N[C@H](C)CCS(C)(=O)=O)cc1C ZINC000095423922 375442506 /nfs/dbraw/zinc/44/25/06/375442506.db2.gz YXKCHUAEHVSMNC-ZIAGYGMSSA-N 0 3 283.437 2.777 50 0 CFAAHN CN1CCN(CCc2ccc(NCC(C)(C)C)cc2)CC1 ZINC000095428794 375445475 /nfs/dbraw/zinc/44/54/75/375445475.db2.gz KNSXPZALNIHHSN-UHFFFAOYSA-N 0 3 289.467 2.935 50 0 CFAAHN O=C(CCCNCc1cc(Cl)ccc1F)NC1CC1 ZINC000095435680 375448411 /nfs/dbraw/zinc/44/84/11/375448411.db2.gz CTVWLJKHUWPROF-UHFFFAOYSA-N 0 3 284.762 2.628 50 0 CFAAHN CNc1ccc(-c2ccc([C@@H](C)N(C)C)cc2)nn1 ZINC000096163783 375472359 /nfs/dbraw/zinc/47/23/59/375472359.db2.gz RWLDNEOYEGUURG-LLVKDONJSA-N 0 3 256.353 2.808 50 0 CFAAHN c1[nH]nc(-c2cccnc2)c1CNCCOc1ccccc1 ZINC000097159376 375533222 /nfs/dbraw/zinc/53/32/22/375533222.db2.gz YMQPVDLIZDNHEH-UHFFFAOYSA-N 0 3 294.358 2.640 50 0 CFAAHN C[C@H]1CCCCN1CCNC(=O)/C=C\c1ccccc1 ZINC000096401601 375485605 /nfs/dbraw/zinc/48/56/05/375485605.db2.gz HXCVEZBIHDIILG-WOLCWHLNSA-N 0 3 272.392 2.690 50 0 CFAAHN CCCOc1ccccc1C(=O)NC[C@H]1CCCN1CC ZINC000096319253 375485701 /nfs/dbraw/zinc/48/57/01/375485701.db2.gz OTARPNHZLXRNCP-CQSZACIVSA-N 0 3 290.407 2.690 50 0 CFAAHN COC[C@@H](C)Nc1cccc(CN2CCSCC2)c1C ZINC000097045907 375501434 /nfs/dbraw/zinc/50/14/34/375501434.db2.gz VMJZXZHPZNENJZ-CYBMUJFWSA-N 0 3 294.464 2.991 50 0 CFAAHN FC(F)(F)[C@@H]1CCCC[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC000097101727 375518130 /nfs/dbraw/zinc/51/81/30/375518130.db2.gz VPYATQONFUMORV-NXEZZACHSA-N 0 3 288.317 2.893 50 0 CFAAHN c1coc(CNc2cnn(CCN3CCCCC3)c2)c1 ZINC000097113919 375524684 /nfs/dbraw/zinc/52/46/84/375524684.db2.gz DIYKPJWTKFHDQG-UHFFFAOYSA-N 0 3 274.368 2.574 50 0 CFAAHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cncs1 ZINC000097113412 375524806 /nfs/dbraw/zinc/52/48/06/375524806.db2.gz JUFNGTKQIAXQNF-CJNGLKHVSA-N 0 3 287.432 2.753 50 0 CFAAHN C[C@@H](Cc1cnccn1)N(C)Cc1cc(F)cc(F)c1 ZINC000097137216 375527521 /nfs/dbraw/zinc/52/75/21/375527521.db2.gz UAASVHRPSDPTAR-NSHDSACASA-N 0 3 277.318 2.818 50 0 CFAAHN C[C@@H](c1ccc(-c2cc(N(C)C)ncn2)cc1)N(C)C ZINC000097307803 375548600 /nfs/dbraw/zinc/54/86/00/375548600.db2.gz VPRYATVEKIJAHU-LBPRGKRZSA-N 0 3 270.380 2.832 50 0 CFAAHN C[C@@H]1CCCC[C@@H]1CN1CCC[C@@H]1c1nncn1C ZINC000097372973 375553137 /nfs/dbraw/zinc/55/31/37/375553137.db2.gz FOYAKIPCQDYRNE-MGPQQGTHSA-N 0 3 262.401 2.778 50 0 CFAAHN C1=CCN([C@H]2CCN(c3nc4ccccc4s3)C2)C1 ZINC000104205839 375772843 /nfs/dbraw/zinc/77/28/43/375772843.db2.gz FEDFCJUVLWXWFQ-LBPRGKRZSA-N 0 3 271.389 2.747 50 0 CFAAHN COC(=O)CCN1CCCC[C@H]1c1ccc(C)o1 ZINC000130954127 377637445 /nfs/dbraw/zinc/63/74/45/377637445.db2.gz KRRPPPAONMUOLR-LBPRGKRZSA-N 0 3 251.326 2.678 50 0 CFAAHN Cc1cc(Cl)ccc1CN1CCC(CO)CC1 ZINC000136151790 378183298 /nfs/dbraw/zinc/18/32/98/378183298.db2.gz RPCURMYXXMHSRA-UHFFFAOYSA-N 0 3 253.773 2.853 50 0 CFAAHN C[C@H](CCNCc1ccc(Cl)cc1F)[S@@](C)=O ZINC000160892954 378808393 /nfs/dbraw/zinc/80/83/93/378808393.db2.gz PFLMGLJQYWZNKH-XLFHBGCDSA-N 0 3 277.792 2.726 50 0 CFAAHN NCc1ccc(Br)cc1OCC(F)F ZINC000165960905 379046229 /nfs/dbraw/zinc/04/62/29/379046229.db2.gz IGVRZBSCDNLREI-UHFFFAOYSA-N 0 3 266.085 2.552 50 0 CFAAHN CC[C@H](NC[C@H](C)[S@](C)=O)c1ccccc1F ZINC000170593062 379122064 /nfs/dbraw/zinc/12/20/64/379122064.db2.gz RUVLDPYXCXHSNK-SVKFGRERSA-N 0 3 257.374 2.633 50 0 CFAAHN OC[C@H]1C=C[C@@H](N[C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000170074652 379115489 /nfs/dbraw/zinc/11/54/89/379115489.db2.gz QVWHUMBZANJWGG-LZWOXQAQSA-N 0 3 285.387 2.960 50 0 CFAAHN Cc1cccc(CCN2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000645778890 383744322 /nfs/dbraw/zinc/74/43/22/383744322.db2.gz KRVBWTQAUDLZGN-AWEZNQCLSA-N 0 3 270.380 2.535 50 0 CFAAHN Cc1cccc2cc(CNC[C@H]3CCCO3)c(N(C)C)nc12 ZINC000299778786 382046866 /nfs/dbraw/zinc/04/68/66/382046866.db2.gz QTVHLWCIOHUHRO-MRXNPFEDSA-N 0 3 299.418 2.878 50 0 CFAAHN CN(C)CCSCc1noc(-c2ccc(F)cc2F)n1 ZINC000187902026 382291641 /nfs/dbraw/zinc/29/16/41/382291641.db2.gz LMZYUWCTCJJYBZ-UHFFFAOYSA-N 0 3 299.346 2.810 50 0 CFAAHN CC(C)(C)SCCN[C@H](CO)c1ccsc1 ZINC000309525705 382489284 /nfs/dbraw/zinc/48/92/84/382489284.db2.gz BCQYCXROXVMQMK-LLVKDONJSA-N 0 3 259.440 2.903 50 0 CFAAHN c1ccc(C[C@@H]2CC[C@@H](NCc3cncnc3)C2)cc1 ZINC000189513990 382618502 /nfs/dbraw/zinc/61/85/02/382618502.db2.gz NBKRKJWEXWJOPV-DOTOQJQBSA-N 0 3 267.376 2.978 50 0 CFAAHN C[C@H](CNCCS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC000191918694 382703270 /nfs/dbraw/zinc/70/32/70/382703270.db2.gz SQPRYQOSYSTKNV-CYBMUJFWSA-N 0 3 283.437 2.593 50 0 CFAAHN CN(CCSCN1CCCCC1=O)Cc1ccccc1 ZINC000193624139 382721689 /nfs/dbraw/zinc/72/16/89/382721689.db2.gz REKLYJFVGZLRHZ-UHFFFAOYSA-N 0 3 292.448 2.822 50 0 CFAAHN Cc1n[nH]c(C)c1CCN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000215155943 382777805 /nfs/dbraw/zinc/77/78/05/382777805.db2.gz LTHMEKCVERYSAH-UHFFFAOYSA-N 0 3 289.427 2.722 50 0 CFAAHN CCc1ccc(CN2CCCC[C@@H]2CCCO)o1 ZINC000215211521 382777872 /nfs/dbraw/zinc/77/78/72/382777872.db2.gz JXYXLWRBKDHFSV-CYBMUJFWSA-N 0 3 251.370 2.969 50 0 CFAAHN COc1ccc2c(c1)CCN(CCCSC)C2 ZINC000215440653 382779212 /nfs/dbraw/zinc/77/92/12/382779212.db2.gz VIPJWSAYNFRUIT-UHFFFAOYSA-N 0 3 251.395 2.806 50 0 CFAAHN Cc1cc([C@H]2CCCN2C[C@@H](O)c2ccccc2)on1 ZINC000222039553 382800404 /nfs/dbraw/zinc/80/04/04/382800404.db2.gz UJPYNEKCQBOWSF-HUUCEWRRSA-N 0 3 272.348 2.854 50 0 CFAAHN CSCCCN1CCN(C)[C@H](c2ccccc2)C1 ZINC000225323774 382814105 /nfs/dbraw/zinc/81/41/05/382814105.db2.gz KZACVDGWOSAPOE-HNNXBMFYSA-N 0 3 264.438 2.728 50 0 CFAAHN CCCCc1noc([C@@H](C)N2CC[C@@H](N3CCCC3)C2)n1 ZINC000229473180 382851458 /nfs/dbraw/zinc/85/14/58/382851458.db2.gz LBUMCGWRANODOH-ZIAGYGMSSA-N 0 3 292.427 2.643 50 0 CFAAHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC000229405766 382851581 /nfs/dbraw/zinc/85/15/81/382851581.db2.gz MTLOBGZEUWKBSA-RHSMWYFYSA-N 0 3 295.386 2.647 50 0 CFAAHN C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H](c2ccccc2)C1 ZINC000229720395 382853211 /nfs/dbraw/zinc/85/32/11/382853211.db2.gz RJOTVPACHXASPL-DOTOQJQBSA-N 0 3 286.419 2.877 50 0 CFAAHN C[Si](C)(C)c1ccc(CNCc2cccnc2)cc1 ZINC000235735128 382886698 /nfs/dbraw/zinc/88/66/98/382886698.db2.gz IKYICAPETCICPI-UHFFFAOYSA-N 0 3 270.452 2.917 50 0 CFAAHN Clc1nc2ccccn2c1CNC[C@@H]1CCCOC1 ZINC000237805011 382971094 /nfs/dbraw/zinc/97/10/94/382971094.db2.gz BTWOAQFMUPZCHR-NSHDSACASA-N 0 3 279.771 2.504 50 0 CFAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000248088815 383210867 /nfs/dbraw/zinc/21/08/67/383210867.db2.gz BTNVJXOYUPKCPZ-HUUCEWRRSA-N 0 3 276.355 2.525 50 0 CFAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000248122928 383211655 /nfs/dbraw/zinc/21/16/55/383211655.db2.gz KPZKKQMSCCAWDR-IAGOWNOFSA-N 0 3 297.402 2.867 50 0 CFAAHN C[C@H](C(=O)NCc1ccccc1)N1CCS[C@H](C)CC1 ZINC000249050959 383321669 /nfs/dbraw/zinc/32/16/69/383321669.db2.gz OHMOVNCMRHZCMP-ZIAGYGMSSA-N 0 3 292.448 2.519 50 0 CFAAHN CCc1nc(-c2ccc([C@H](C)N(C)C)cc2)n(C)n1 ZINC000426438537 383400495 /nfs/dbraw/zinc/40/04/95/383400495.db2.gz FSVOZLBNQQEBSJ-NSHDSACASA-N 0 3 258.369 2.667 50 0 CFAAHN CCCC[C@H](CC)C(=O)N1CCN2CCC[C@H]2C1 ZINC000252445437 383407828 /nfs/dbraw/zinc/40/78/28/383407828.db2.gz CFBUHKAMPDNOQD-KBPBESRZSA-N 0 3 252.402 2.509 50 0 CFAAHN O=C1Nc2ccccc2CC[C@@H]1N1CCCCCC1 ZINC000252483148 383411612 /nfs/dbraw/zinc/41/16/12/383411612.db2.gz DWBHRWYUFQMUGH-HNNXBMFYSA-N 0 3 258.365 2.816 50 0 CFAAHN C[C@@H](N)C(=O)N(CCc1ccccc1)Cc1cccs1 ZINC000253392689 383454331 /nfs/dbraw/zinc/45/43/31/383454331.db2.gz SYYOFAZVXZXTBM-CYBMUJFWSA-N 0 3 288.416 2.667 50 0 CFAAHN Cc1ccc([C@H](NC[C@]2(O)CCOC2)c2ccccc2)cc1 ZINC000252527746 383416966 /nfs/dbraw/zinc/41/69/66/383416966.db2.gz DGDNJHLXHJNCQS-RTBURBONSA-N 0 3 297.398 2.825 50 0 CFAAHN O[C@H](CN[C@@H]1CCCC[C@H]1C(F)(F)F)C(F)(F)F ZINC000252585535 383420911 /nfs/dbraw/zinc/42/09/11/383420911.db2.gz JEJCURJKGQZYBR-BWZBUEFSSA-N 0 3 279.224 2.620 50 0 CFAAHN C[C@H](NCCc1nccs1)c1cn2ccccc2n1 ZINC000570826385 383639442 /nfs/dbraw/zinc/63/94/42/383639442.db2.gz DBIYMNKXCHFGPL-NSHDSACASA-N 0 3 272.377 2.684 50 0 CFAAHN Fc1ccccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000269945414 384914355 /nfs/dbraw/zinc/91/43/55/384914355.db2.gz PZBLNCGPCYBKMV-NWANDNLSSA-N 0 3 261.340 2.873 50 0 CFAAHN COC(=O)c1ccccc1CN1CCC[C@@](C)(OC)CC1 ZINC000280325367 384974284 /nfs/dbraw/zinc/97/42/84/384974284.db2.gz QQKLJGHSTTVVNL-QGZVFWFLSA-N 0 3 291.391 2.864 50 0 CFAAHN CCCOc1ccccc1C(=O)NC[C@@H]1CCCN1CC ZINC000096319252 256889316 /nfs/dbraw/zinc/88/93/16/256889316.db2.gz OTARPNHZLXRNCP-AWEZNQCLSA-N 0 3 290.407 2.690 50 0 CFAAHN COc1ccccc1OCCN1CC[C@@]2(C1)CCCOC2 ZINC000341975724 130162673 /nfs/dbraw/zinc/16/26/73/130162673.db2.gz JZBWUZIMXNSACN-QGZVFWFLSA-N 0 3 291.391 2.577 50 0 CFAAHN C[C@@H](NC(=O)C(C)(C)N)c1cccc(Cl)c1Cl ZINC000237481539 131035285 /nfs/dbraw/zinc/03/52/85/131035285.db2.gz BRZSGBAGWQULMT-SSDOTTSWSA-N 0 3 275.179 2.908 50 0 CFAAHN O=C(NCCc1cccc2ccccc21)[C@@H]1CCCCN1 ZINC000237890487 131063256 /nfs/dbraw/zinc/06/32/56/131063256.db2.gz VTXNNOSVBUKARN-KRWDZBQOSA-N 0 3 282.387 2.641 50 0 CFAAHN Cc1ccc([C@H](CNc2nccnc2N(C)C)N(C)C)cc1 ZINC000302195625 393490424 /nfs/dbraw/zinc/49/04/24/393490424.db2.gz OLDHVLSOJMQNFP-HNNXBMFYSA-N 0 3 299.422 2.566 50 0 CFAAHN CCc1sc2ncn(CCN)c(=O)c2c1-c1ccccc1 ZINC000032511772 393514216 /nfs/dbraw/zinc/51/42/16/393514216.db2.gz ABESARWFPJAYDF-UHFFFAOYSA-N 0 3 299.399 2.646 50 0 CFAAHN Cc1ccc2c(c1)c(CN[C@H](C)CCn1cccn1)nn2C ZINC000065384469 393631563 /nfs/dbraw/zinc/63/15/63/393631563.db2.gz SAGAKGVFUUFHGZ-CQSZACIVSA-N 0 3 297.406 2.647 50 0 CFAAHN Fc1ccc(OCCN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193997169 393671125 /nfs/dbraw/zinc/67/11/25/393671125.db2.gz ZDCLKVAMYGYFAS-CYBMUJFWSA-N 0 3 289.354 2.807 50 0 CFAAHN CCn1cc([C@@H]2OCC[C@H]2CNCc2ccc(C)o2)cn1 ZINC000083843505 393745430 /nfs/dbraw/zinc/74/54/30/393745430.db2.gz GSMVLGIVWVHHSG-XJKSGUPXSA-N 0 3 289.379 2.672 50 0 CFAAHN Cc1ncc(CN2CCN(c3ccc(C)cc3)C[C@@H]2C)[nH]1 ZINC000217175904 393757207 /nfs/dbraw/zinc/75/72/07/393757207.db2.gz TVRNRFLPLUPHGF-AWEZNQCLSA-N 0 3 284.407 2.737 50 0 CFAAHN CC[C@H](N[C@@H](C)c1cccc2ccccc21)C(N)=O ZINC000079029487 393714263 /nfs/dbraw/zinc/71/42/63/393714263.db2.gz KCQMXCUWJLPFIV-NHYWBVRUSA-N 0 3 256.349 2.754 50 0 CFAAHN CCN(CC)CC(=O)N1C[C@H](c2ccsc2)C[C@H]1C ZINC000096421769 393828589 /nfs/dbraw/zinc/82/85/89/393828589.db2.gz GSQLZUGUPORPMH-TZMCWYRMSA-N 0 3 280.437 2.794 50 0 CFAAHN CCOC(CN1CCS[C@H]2CCCC[C@@H]21)OCC ZINC000097161660 393840167 /nfs/dbraw/zinc/84/01/67/393840167.db2.gz WHCKEAHJDRQRDM-STQMWFEESA-N 0 3 273.442 2.746 50 0 CFAAHN CN1CCN(c2ccccc2CNCc2ccccc2)CC1 ZINC000078553890 135001771 /nfs/dbraw/zinc/00/17/71/135001771.db2.gz NZFZCVMURVRQBS-UHFFFAOYSA-N 0 3 295.430 2.728 50 0 CFAAHN Fc1cccnc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000530366033 394508734 /nfs/dbraw/zinc/50/87/34/394508734.db2.gz VJWYNZFPNXIYQE-NILFDRSVSA-N 0 3 276.355 2.658 50 0 CFAAHN C[C@H](CC(F)(F)F)NCc1ccc2[nH]cnc2c1 ZINC000546627170 394833876 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CFAAHN C[C@@H](Cn1cccn1)NCc1ccc(Cl)s1 ZINC000035259041 172091901 /nfs/dbraw/zinc/09/19/01/172091901.db2.gz VWUOQBPZIRJYCF-VIFPVBQESA-N 0 3 255.774 2.776 50 0 CFAAHN C[C@H]1CCC[C@@H](NCC(=O)Nc2ccc(F)cc2)C1 ZINC000037255552 173066704 /nfs/dbraw/zinc/06/67/04/173066704.db2.gz RBZJECFBVRYYAZ-SMDDNHRTSA-N 0 3 264.344 2.933 50 0 CFAAHN COc1ccc2c(c1)CCN(C[C@H]1CCCCO1)C2 ZINC000661737954 414184769 /nfs/dbraw/zinc/18/47/69/414184769.db2.gz MVLHNOYBJUPEHB-MRXNPFEDSA-N 0 3 261.365 2.622 50 0 CFAAHN CC(C)(NCc1ccccc1N)[C@H](O)c1ccccc1 ZINC000039257923 174167606 /nfs/dbraw/zinc/16/76/06/174167606.db2.gz GCKLXOZWXQZAKZ-MRXNPFEDSA-N 0 3 270.376 2.871 50 0 CFAAHN CCN(CC)[C@H](CNC(=O)C(C)C)c1ccccc1 ZINC000039975657 174180644 /nfs/dbraw/zinc/18/06/44/174180644.db2.gz BLSORVNEJJXBGW-OAHLLOKOSA-N 0 3 262.397 2.842 50 0 CFAAHN COc1cc(Cl)cc(CNC[C@@H]2CCCO2)c1OC ZINC000040722112 174385616 /nfs/dbraw/zinc/38/56/16/174385616.db2.gz UWDAYQJUTQJFAR-LBPRGKRZSA-N 0 3 285.771 2.626 50 0 CFAAHN CC/C=C(/C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000065499563 175744282 /nfs/dbraw/zinc/74/42/82/175744282.db2.gz HBPGZMIGFSPPPU-CHHVJCJISA-N 0 3 286.419 2.907 50 0 CFAAHN CC(C)(N)C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071497988 176191935 /nfs/dbraw/zinc/19/19/35/176191935.db2.gz ZKWJMUIPIPCMFQ-AWEZNQCLSA-N 0 3 292.398 2.734 50 0 CFAAHN C[C@@H](c1ccc(-c2nccn2CCCO)cc1)N(C)C ZINC000071746934 176259040 /nfs/dbraw/zinc/25/90/40/176259040.db2.gz UNDGTXBJZWWESJ-ZDUSSCGKSA-N 0 3 273.380 2.555 50 0 CFAAHN Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CCCN(C)C1 ZINC000071820844 176270722 /nfs/dbraw/zinc/27/07/22/176270722.db2.gz JFUODDKHNQMSME-INIZCTEOSA-N 0 3 298.434 2.673 50 0 CFAAHN CN(C)C[C@H]1CCCCN1C(=O)c1cc2ccccc2o1 ZINC000071834742 176273253 /nfs/dbraw/zinc/27/32/53/176273253.db2.gz VACOMLXZXRQBSF-CQSZACIVSA-N 0 3 286.375 2.989 50 0 CFAAHN CN(C)C[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12 ZINC000071834734 176273576 /nfs/dbraw/zinc/27/35/76/176273576.db2.gz QXLYYRNSFYADHT-OAHLLOKOSA-N 0 3 299.418 2.653 50 0 CFAAHN C[C@H](NC[C@H](O)c1ccccc1Cl)[C@H](C)n1cccn1 ZINC000071882037 176288872 /nfs/dbraw/zinc/28/88/72/176288872.db2.gz FVRMCZYCHFNMFI-HUBLWGQQSA-N 0 3 293.798 2.809 50 0 CFAAHN CC[C@@H]1CN(Cc2ncccc2F)CCN1C(C)C ZINC000072146080 176325239 /nfs/dbraw/zinc/32/52/39/176325239.db2.gz CZBOIZFTJDMIAQ-CYBMUJFWSA-N 0 3 265.376 2.525 50 0 CFAAHN C[C@H]1CCCCN1C1CN(CCc2ccccc2)C1 ZINC000072156513 176328584 /nfs/dbraw/zinc/32/85/84/176328584.db2.gz MUADVOQSKDXVBF-HNNXBMFYSA-N 0 3 258.409 2.788 50 0 CFAAHN C[C@H]1CCCCN1C1CN(Cc2nc3ccccc3n2C)C1 ZINC000072170196 176332101 /nfs/dbraw/zinc/33/21/01/176332101.db2.gz XFNKKNLKGIDAOE-AWEZNQCLSA-N 0 3 298.434 2.632 50 0 CFAAHN Cc1ncc(CN2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000072273107 176354897 /nfs/dbraw/zinc/35/48/97/176354897.db2.gz XPIIWCUOKANCGI-NSHDSACASA-N 0 3 262.382 2.554 50 0 CFAAHN c1cn(CC[C@@H]2CCCCN2Cc2ccccn2)cn1 ZINC000077556432 177280576 /nfs/dbraw/zinc/28/05/76/177280576.db2.gz HRNYGGQDQXJFSP-INIZCTEOSA-N 0 3 270.380 2.723 50 0 CFAAHN CN(C)CCN(C)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000078548172 177352779 /nfs/dbraw/zinc/35/27/79/177352779.db2.gz ZYCBOVHXKLHTSF-UHFFFAOYSA-N 0 3 286.379 2.503 50 0 CFAAHN NC(=O)C1(NCc2ccc(Cl)cc2)CCCCC1 ZINC000078659452 177367644 /nfs/dbraw/zinc/36/76/44/177367644.db2.gz AICSEDMTYMZGGX-UHFFFAOYSA-N 0 3 266.772 2.618 50 0 CFAAHN CC(C)c1nc([C@@H]2CCCN2CCN2CCCCC2)no1 ZINC000078824438 177394474 /nfs/dbraw/zinc/39/44/74/177394474.db2.gz DDTAGLMXVKWZRE-AWEZNQCLSA-N 0 3 292.427 2.816 50 0 CFAAHN CN(C(=O)[C@@H]1CCCc2ccccc21)C1CCN(C)CC1 ZINC000032755107 260145562 /nfs/dbraw/zinc/14/55/62/260145562.db2.gz NWYSNJXUOZXJQT-QGZVFWFLSA-N 0 3 286.419 2.659 50 0 CFAAHN CC/C=C(\C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000101395813 273577421 /nfs/dbraw/zinc/57/74/21/273577421.db2.gz IEQSGZYNKHGYDE-BMQCOBNYSA-N 0 3 260.381 2.762 50 0 CFAAHN Cn1c2ccccc2nc1[C@H](N)Cc1ccccc1 ZINC000020270852 274889436 /nfs/dbraw/zinc/88/94/36/274889436.db2.gz GUMPLZVLDSGQHF-CYBMUJFWSA-N 0 3 251.333 2.816 50 0 CFAAHN N=C1Nc2nc3ccccc3n2[C@@H](/C=C\c2ccccc2)N1 ZINC000038162892 274943317 /nfs/dbraw/zinc/94/33/17/274943317.db2.gz YKEVULXNKMWCPY-WOLCWHLNSA-N 0 3 289.342 2.798 50 0 CFAAHN OC[C@@H]1CCCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000252486378 275048639 /nfs/dbraw/zinc/04/86/39/275048639.db2.gz JMYJZCDPNOLWES-WBMJQRKESA-N 0 3 263.356 2.907 50 0 CFAAHN O[C@@H]1Cc2ccccc2[C@H]1NCc1cccc2[nH]ccc21 ZINC000085334119 275055147 /nfs/dbraw/zinc/05/51/47/275055147.db2.gz VQIJJKBMLXCPQA-QZTJIDSGSA-N 0 3 278.355 2.916 50 0 CFAAHN c1ccc2c(c1)[nH]c1c2CN(C[C@@H]2CCOC2)CC1 ZINC000077287923 275071073 /nfs/dbraw/zinc/07/10/73/275071073.db2.gz SDDCQBREURKQEK-LBPRGKRZSA-N 0 3 256.349 2.563 50 0 CFAAHN CC/C=C(/C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000065539331 275800859 /nfs/dbraw/zinc/80/08/59/275800859.db2.gz IEQSGZYNKHGYDE-CTXBLAANSA-N 0 3 260.381 2.762 50 0 CFAAHN CC(C)C[C@H](NC[C@@H]1CCC[C@@H]1O)c1ccccn1 ZINC000096478683 277490564 /nfs/dbraw/zinc/49/05/64/277490564.db2.gz OIAKCPUYYUPIAR-BPUTZDHNSA-N 0 3 262.397 2.919 50 0 CFAAHN C[C@@H]1CCC[C@@H](C)N1CC(=O)NC1CCCCC1 ZINC000006007654 278493435 /nfs/dbraw/zinc/49/34/35/278493435.db2.gz INQCLXMFWNEMJW-CHWSQXEVSA-N 0 3 252.402 2.698 50 0 CFAAHN Cc1cc(C)c(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)c(C)c1 ZINC000091440778 280382642 /nfs/dbraw/zinc/38/26/42/280382642.db2.gz OVCYAVCNDDJGGB-JKSUJKDBSA-N 0 3 286.419 2.778 50 0 CFAAHN CCC(=O)N1CC[C@H](N[C@@H]2CCCOc3ccccc32)C1 ZINC000095423896 280578638 /nfs/dbraw/zinc/57/86/38/280578638.db2.gz UYQRWCDWGNMKLE-DZGCQCFKSA-N 0 3 288.391 2.501 50 0 CFAAHN Cc1ccc(CN[C@H](CCO)C2CCCCC2)nc1 ZINC000096486314 280832330 /nfs/dbraw/zinc/83/23/30/280832330.db2.gz AESUXGRMLICWKE-MRXNPFEDSA-N 0 3 262.397 2.811 50 0 CFAAHN CCn1cc([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cn1 ZINC000248698956 288708986 /nfs/dbraw/zinc/70/89/86/288708986.db2.gz FJYFVONCNYBCRZ-ZGKBOVNRSA-N 0 3 275.396 2.511 50 0 CFAAHN Cc1ccc(CC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000009484474 301572434 /nfs/dbraw/zinc/57/24/34/301572434.db2.gz QDVFLEYMBLKEOH-GOSISDBHSA-N 0 3 296.414 2.957 50 0 CFAAHN CCCc1nc(C)c(CN[C@@H]2CCCOC2)s1 ZINC000534651703 328337452 /nfs/dbraw/zinc/33/74/52/328337452.db2.gz XSBOMXXBFAOSBV-LLVKDONJSA-N 0 3 254.399 2.673 50 0 CFAAHN CC(C)n1nnnc1CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000097103598 323619029 /nfs/dbraw/zinc/61/90/29/323619029.db2.gz FCRCDAIKMQHXOG-CABCVRRESA-N 0 3 285.395 2.680 50 0 CFAAHN COC(=O)C1CCN(C[C@H](C)c2ccc(F)cc2)CC1 ZINC000195572796 324109117 /nfs/dbraw/zinc/10/91/17/324109117.db2.gz ZYEKFYVRGUARSV-LBPRGKRZSA-N 0 3 279.355 2.814 50 0 CFAAHN C[C@H](CCN[C@@H]1CCCOc2cc(F)ccc21)[S@@](C)=O ZINC000195557728 324109265 /nfs/dbraw/zinc/10/92/65/324109265.db2.gz AHSZKZKCHCOLFP-QRVQBPJGSA-N 0 3 299.411 2.786 50 0 CFAAHN CCOC(=O)C[C@@H](N)c1ccc(OCC(C)C)c(OC)c1 ZINC000032919367 326898490 /nfs/dbraw/zinc/89/84/90/326898490.db2.gz ODDAFYLVGVNFPO-CYBMUJFWSA-N 0 3 295.379 2.683 50 0 CFAAHN COC(=O)N1CCC[C@@H](N[C@@H](C)c2cccs2)C1 ZINC000096476941 533964159 /nfs/dbraw/zinc/96/41/59/533964159.db2.gz MLAUCBIEPJLWHD-WDEREUQCSA-N 0 3 268.382 2.630 50 0 CFAAHN c1ncc(CN2CCC(c3nc4ccccc4o3)CC2)[nH]1 ZINC000097743590 534526316 /nfs/dbraw/zinc/52/63/16/534526316.db2.gz PIVYOGJEKNRBBC-UHFFFAOYSA-N 0 3 282.347 2.931 50 0 CFAAHN CN(CCOc1ccccc1)CCc1ccncc1 ZINC000041326887 522914949 /nfs/dbraw/zinc/91/49/49/522914949.db2.gz KJHXDYWKZJJNTM-UHFFFAOYSA-N 0 3 256.349 2.635 50 0 CFAAHN O=C1OCCN1c1ccc(CNCc2ccsc2)cc1 ZINC000096501562 534808917 /nfs/dbraw/zinc/80/89/17/534808917.db2.gz POVVTLUAJDTSNA-UHFFFAOYSA-N 0 3 288.372 2.995 50 0 CFAAHN O=C(OCCN1CCCCC1)c1cccc(Cl)c1 ZINC000000210723 526419429 /nfs/dbraw/zinc/41/94/29/526419429.db2.gz HSQRQXWTFFKOSH-UHFFFAOYSA-N 0 3 267.756 2.983 50 0 CFAAHN CC[C@@H](C(=O)NC1(c2cc(F)ccc2F)CC1)N(C)CC ZINC000952970748 615379894 /nfs/dbraw/zinc/37/98/94/615379894.db2.gz FIYTZJLZJYWCOM-AWEZNQCLSA-N 0 3 296.361 2.800 50 0 CFAAHN c1cc([C@H]2CCCN(Cc3ccc4nsnc4c3)C2)n[nH]1 ZINC000020541146 618806474 /nfs/dbraw/zinc/80/64/74/618806474.db2.gz OBADPGZLYUYHJL-LBPRGKRZSA-N 0 3 299.403 2.794 50 0 CFAAHN CCC[C@@H](C(=O)N1Cc2ccccc2C2(CC2)C1)N(C)C ZINC000184659994 625631815 /nfs/dbraw/zinc/63/18/15/625631815.db2.gz VDPCPCASZBZTGI-INIZCTEOSA-N 0 3 286.419 2.791 50 0 CFAAHN CCc1ccccc1CNC(=O)[C@@H]1CCCCN1CC ZINC000154290555 624317725 /nfs/dbraw/zinc/31/77/25/624317725.db2.gz KXDCCURDLSDLEC-INIZCTEOSA-N 0 3 274.408 2.740 50 0 CFAAHN OC[C@@]1(CCc2ccccc2)CCCN(Cc2cnc[nH]2)C1 ZINC000012300023 626279178 /nfs/dbraw/zinc/27/91/78/626279178.db2.gz FXPUXOKQFBNBQX-GOSISDBHSA-N 0 3 299.418 2.617 50 0 CFAAHN CN(C)c1cc(N)c2cc(Br)ccc2n1 ZINC000003162401 626403821 /nfs/dbraw/zinc/40/38/21/626403821.db2.gz UGWNGUGOWOWFGT-UHFFFAOYSA-N 0 3 266.142 2.646 50 0 CFAAHN CC(C)Cc1nc([C@H](C)N2CCCCCC2)n[nH]1 ZINC000822182713 781894018 /nfs/dbraw/zinc/89/40/18/781894018.db2.gz KUNJODZBLXWWGF-LBPRGKRZSA-N 0 3 250.390 2.940 50 0 CFAAHN Cc1nccn1-c1ccc([C@@H](C)NCc2cnn(C)c2)cc1 ZINC000096461412 230378160 /nfs/dbraw/zinc/37/81/60/230378160.db2.gz NBGSENPRNXTQJD-CYBMUJFWSA-N 0 3 295.390 2.765 50 0 CFAAHN CCc1nnc(CN[C@H](C)C(C)(C)c2ccccc2)n1C ZINC000096491391 230382834 /nfs/dbraw/zinc/38/28/34/230382834.db2.gz QOSDEWGUOLAYMJ-CYBMUJFWSA-N 0 3 286.423 2.833 50 0 CFAAHN Cc1nnc(CN[C@H](Cc2ccccc2)C(C)(C)C)n1C ZINC000096493173 230383271 /nfs/dbraw/zinc/38/32/71/230383271.db2.gz GLWTYKPCJLRRPA-OAHLLOKOSA-N 0 3 286.423 2.871 50 0 CFAAHN Cc1[nH]c2ccc(C)cc2c1CC(=O)NCCN(C)C1CC1 ZINC000095956034 185042431 /nfs/dbraw/zinc/04/24/31/185042431.db2.gz WJOPZEMFNUKWQC-UHFFFAOYSA-N 0 3 299.418 2.538 50 0 CFAAHN CC(C)N1CC[C@@H](NC2CC(c3ccccc3)C2)C1=O ZINC000095963261 185044360 /nfs/dbraw/zinc/04/43/60/185044360.db2.gz XNNBNSVRXODFQO-UYSNPLJNSA-N 0 3 272.392 2.532 50 0 CFAAHN C[C@@H](COc1ccc(F)c(F)c1)NCc1cccnc1 ZINC000095967085 185046400 /nfs/dbraw/zinc/04/64/00/185046400.db2.gz BBGDAIKEIBRQLK-NSHDSACASA-N 0 3 278.302 2.917 50 0 CFAAHN CC[C@H](NC[C@](C)(O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000095968401 185046915 /nfs/dbraw/zinc/04/69/15/185046915.db2.gz OUGSISYMGVTNKZ-HOTGVXAUSA-N 0 3 291.370 2.508 50 0 CFAAHN O=C(CCc1cccs1)Nc1ccc2c(c1)CNCC2 ZINC000095971610 185049014 /nfs/dbraw/zinc/04/90/14/185049014.db2.gz GYDDFATXBIVSLL-UHFFFAOYSA-N 0 3 286.400 2.965 50 0 CFAAHN Cc1ncsc1CN[C@@H](C)C[C@@H](O)c1ccco1 ZINC000095978188 185051915 /nfs/dbraw/zinc/05/19/15/185051915.db2.gz NJMWCDHHGJCNBB-GXSJLCMTSA-N 0 3 266.366 2.646 50 0 CFAAHN CCc1nc([C@H](C)NCCN2CCCCC2)cs1 ZINC000096014102 185066470 /nfs/dbraw/zinc/06/64/70/185066470.db2.gz CNHBHXIPYJFYKI-LBPRGKRZSA-N 0 3 267.442 2.842 50 0 CFAAHN CN(C)C[C@@H]1CSCC[C@@]1(O)c1ccccc1Cl ZINC000000347821 282128802 /nfs/dbraw/zinc/12/88/02/282128802.db2.gz FBNMNJLSOXDEEC-RISCZKNCSA-N 0 3 285.840 2.842 50 0 CFAAHN C[C@@H](O)CNCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000125165868 187173031 /nfs/dbraw/zinc/17/30/31/187173031.db2.gz OCSISVLUIZNQTP-MRVPVSSYSA-N 0 3 288.174 2.740 50 0 CFAAHN CCc1ccc(CNC2CCC3(CC2)OCCO3)o1 ZINC000097015176 185152306 /nfs/dbraw/zinc/15/23/06/185152306.db2.gz YCGJMJKQDXPKNV-UHFFFAOYSA-N 0 3 265.353 2.617 50 0 CFAAHN CC(C)(NCCn1ccnc1)c1ccc(F)c(F)c1 ZINC000097033606 185155532 /nfs/dbraw/zinc/15/55/32/185155532.db2.gz LBMVZJMRSSYSMJ-UHFFFAOYSA-N 0 3 265.307 2.686 50 0 CFAAHN COC[C@H](NC[C@@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000097033297 185155566 /nfs/dbraw/zinc/15/55/66/185155566.db2.gz DTKBIWAEPPDIGI-NHYWBVRUSA-N 0 3 285.334 2.669 50 0 CFAAHN Cc1cc(C)n(C[C@H]2CCCCN2Cc2ccccn2)n1 ZINC000072267530 346924757 /nfs/dbraw/zinc/92/47/57/346924757.db2.gz WLKDGKOURPATAO-QGZVFWFLSA-N 0 3 284.407 2.950 50 0 CFAAHN CN(Cc1cccc(Cl)c1)C1CCS(=O)CC1 ZINC000078969820 539376066 /nfs/dbraw/zinc/37/60/66/539376066.db2.gz CCRYJVBAHOADMZ-UHFFFAOYSA-N 0 3 271.813 2.683 50 0 CFAAHN Cc1ccccc1OCCOCCN1CCCCC1 ZINC000002896400 346207308 /nfs/dbraw/zinc/20/73/08/346207308.db2.gz PSFFHRGCXPBLSN-UHFFFAOYSA-N 0 3 263.381 2.876 50 0 CFAAHN CCOC(OCC)[P@](=O)(CN(CC)CC)OCC ZINC000003160269 346207670 /nfs/dbraw/zinc/20/76/70/346207670.db2.gz JZRAVJNIFGYBNQ-SFHVURJKSA-N 0 3 281.333 2.957 50 0 CFAAHN O[C@]12CCCC[C@H]1[C@H](c1ccc(F)cc1F)NCC2 ZINC000004031338 346209376 /nfs/dbraw/zinc/20/93/76/346209376.db2.gz GOQPKPSSOSKRIJ-QEJZJMRPSA-N 0 3 267.319 2.921 50 0 CFAAHN Fc1ccc([C@H]2CCCN2CCn2cccn2)cc1 ZINC000066420316 346760462 /nfs/dbraw/zinc/76/04/62/346760462.db2.gz SLHQVUHPIJMPSN-OAHLLOKOSA-N 0 3 259.328 2.859 50 0 CFAAHN CCC(=O)O[C@@]1(c2ccccc2)CCN(C)[C@H]1CC ZINC000095882806 347699091 /nfs/dbraw/zinc/69/90/91/347699091.db2.gz UOTCUJGGSUJBJM-GOEBONIOSA-N 0 3 261.365 2.949 50 0 CFAAHN CCC(=O)O[C@]1(c2ccccc2)CCN(C)[C@H]1CC ZINC000095882808 347699167 /nfs/dbraw/zinc/69/91/67/347699167.db2.gz UOTCUJGGSUJBJM-HOCLYGCPSA-N 0 3 261.365 2.949 50 0 CFAAHN CN[C@@]1(c2ccccc2Cl)CCC[C@H]1C(=O)OC ZINC000096027568 347700613 /nfs/dbraw/zinc/70/06/13/347700613.db2.gz OQSFGKKBEFIAOR-SMDDNHRTSA-N 0 3 267.756 2.728 50 0 CFAAHN OC[C@H](N[C@H]1CCCSC1)c1cc(F)c(F)c(F)c1 ZINC000097370885 347708504 /nfs/dbraw/zinc/70/85/04/347708504.db2.gz NUDRFJSQIBPVKI-CABZTGNLSA-N 0 3 291.338 2.623 50 0 CFAAHN COc1ccc(CNCc2cccc(N(C)C)c2)cc1O ZINC000105434776 347728871 /nfs/dbraw/zinc/72/88/71/347728871.db2.gz WBBINMLXVYTXFS-UHFFFAOYSA-N 0 3 286.375 2.757 50 0 CFAAHN COC[C@@H](NCCC1(C)OCCO1)c1ccc(Cl)cc1 ZINC000194176260 348143502 /nfs/dbraw/zinc/14/35/02/348143502.db2.gz VXNNTWZMQWOYOQ-CQSZACIVSA-N 0 3 299.798 2.770 50 0 CFAAHN CC[C@H](NC[C@](C)(O)c1cnn(C)c1)c1ccccc1F ZINC000195553623 348146169 /nfs/dbraw/zinc/14/61/69/348146169.db2.gz IZVGYOJIBOBNFI-HOTGVXAUSA-N 0 3 291.370 2.508 50 0 CFAAHN CSc1ccccc1C[C@H](C)NCc1ccnn1C ZINC000195558473 348146255 /nfs/dbraw/zinc/14/62/55/348146255.db2.gz JIRMANJQANMJNJ-LBPRGKRZSA-N 0 3 275.421 2.863 50 0 CFAAHN CC[C@H](C)NC(=O)CN[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000195570181 348146871 /nfs/dbraw/zinc/14/68/71/348146871.db2.gz WEJDQLLTRKFMFB-DCAQKATOSA-N 0 3 280.334 2.612 50 0 CFAAHN CN(CCO[C@@H]1CCCCO1)[C@@H]1CCCc2cccnc21 ZINC000225532906 348178432 /nfs/dbraw/zinc/17/84/32/348178432.db2.gz FOBPHXPSBSXFRX-HZPDHXFCSA-N 0 3 290.407 2.934 50 0 CFAAHN COc1cc(CN2CC[C@H](c3ccccn3)C2)ccc1O ZINC000225670904 348179529 /nfs/dbraw/zinc/17/95/29/348179529.db2.gz KNCJZYLCPLHTPV-AWEZNQCLSA-N 0 3 284.359 2.785 50 0 CFAAHN C[C@H](c1cccnc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229337586 348200958 /nfs/dbraw/zinc/20/09/58/348200958.db2.gz UXUSCXCCMLCGJF-TZMCWYRMSA-N 0 3 256.353 2.745 50 0 CFAAHN CN(C)C[C@@H]1CSCCCN1C(=O)Nc1ccccc1 ZINC000090608911 180012272 /nfs/dbraw/zinc/01/22/72/180012272.db2.gz UYRUWCWPGMDITA-CQSZACIVSA-N 0 3 293.436 2.588 50 0 CFAAHN C[C@H](CC(=O)N(C)C)NCc1cccc(-c2ccccn2)c1 ZINC000090663966 180020513 /nfs/dbraw/zinc/02/05/13/180020513.db2.gz LHNVATVPDMROGV-CQSZACIVSA-N 0 3 297.402 2.705 50 0 CFAAHN Cc1cc(N(C)Cc2cccc3cnccc32)nc(N)n1 ZINC000091931325 180288576 /nfs/dbraw/zinc/28/85/76/180288576.db2.gz LPVXXEBMOCDMKA-UHFFFAOYSA-N 0 3 279.347 2.552 50 0 CFAAHN C[C@@H]1CN(Cc2ccc(C(F)(F)F)nc2)CC[C@]1(C)O ZINC000092080972 180319922 /nfs/dbraw/zinc/31/99/22/180319922.db2.gz FHFZCIRVFYLKRA-MFKMUULPSA-N 0 3 288.313 2.693 50 0 CFAAHN O=C(CCN1CCSCC1)Nc1ccc2c(c1)CCC2 ZINC000171628520 188748626 /nfs/dbraw/zinc/74/86/26/188748626.db2.gz VITBYJQSSAOFAX-UHFFFAOYSA-N 0 3 290.432 2.553 50 0 CFAAHN NC(=O)[C@H](c1ccccc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000245284713 283345499 /nfs/dbraw/zinc/34/54/99/283345499.db2.gz UFVHRDPNNDCPFW-KBMXLJTQSA-N 0 3 272.392 2.725 50 0 CFAAHN N=C1Nc2nc3ccccc3n2[C@@H](C2=CCCCC2)N1 ZINC000095115687 283410211 /nfs/dbraw/zinc/41/02/11/283410211.db2.gz RYLPNTJUEPJBTN-ZDUSSCGKSA-N 0 3 267.336 2.585 50 0 CFAAHN CN1C[C@H](N[C@@H]2CCCSc3ccccc32)CCC1=O ZINC000089374902 540717900 /nfs/dbraw/zinc/71/79/00/540717900.db2.gz QBTZOLBIOYGTKE-TZMCWYRMSA-N 0 3 290.432 2.824 50 0 CFAAHN Cc1nncn1CCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000670441172 540995928 /nfs/dbraw/zinc/99/59/28/540995928.db2.gz MOWZZNKXSWNKLK-AWEZNQCLSA-N 0 3 290.798 2.729 50 0 CFAAHN CCc1cc(N2CCN(C[C@H]3CC=CCC3)CC2)ncn1 ZINC000670451513 540999183 /nfs/dbraw/zinc/99/91/83/540999183.db2.gz GUXGGNPDYSUULH-HNNXBMFYSA-N 0 3 286.423 2.517 50 0 CFAAHN CN(C[C@@H]1Cc2ccccc2O1)C1CSCCSC1 ZINC000670454174 541000172 /nfs/dbraw/zinc/00/01/72/541000172.db2.gz MSNUGUGOINLCFL-AWEZNQCLSA-N 0 3 295.473 2.771 50 0 CFAAHN Cc1cc(C)n(C[C@@H](C)NCc2ccc3[nH]c(C)nc3c2)n1 ZINC000670452756 541000238 /nfs/dbraw/zinc/00/02/38/541000238.db2.gz MLSSWLXFMVVHDS-GFCCVEGCSA-N 0 3 297.406 2.863 50 0 CFAAHN COCCc1n[nH]c(C2(N3CCCCC3)CCCCC2)n1 ZINC000670455244 541000766 /nfs/dbraw/zinc/00/07/66/541000766.db2.gz KBWBIOLFXKEJCE-UHFFFAOYSA-N 0 3 292.427 2.639 50 0 CFAAHN COCCc1nc(C2(N3CCCCC3)CCCCC2)n[nH]1 ZINC000670455244 541000768 /nfs/dbraw/zinc/00/07/68/541000768.db2.gz KBWBIOLFXKEJCE-UHFFFAOYSA-N 0 3 292.427 2.639 50 0 CFAAHN COCCc1nnc(C2(N3CCCCC3)CCCCC2)[nH]1 ZINC000670455244 541000770 /nfs/dbraw/zinc/00/07/70/541000770.db2.gz KBWBIOLFXKEJCE-UHFFFAOYSA-N 0 3 292.427 2.639 50 0 CFAAHN c1nnc(CNC2CCCC2)n1CCc1ccccc1 ZINC000670457209 541001920 /nfs/dbraw/zinc/00/19/20/541001920.db2.gz MAOANEJOYNQQSO-UHFFFAOYSA-N 0 3 270.380 2.553 50 0 CFAAHN Cc1ncsc1CN(C)CCCc1c(C)n[nH]c1C ZINC000670465641 541006258 /nfs/dbraw/zinc/00/62/58/541006258.db2.gz LDEZKIYFACCLEO-UHFFFAOYSA-N 0 3 278.425 2.856 50 0 CFAAHN CC(C)c1noc(C2CCN(CC[C@@H]3CCOC3)CC2)n1 ZINC000670472357 541011061 /nfs/dbraw/zinc/01/10/61/541011061.db2.gz MYRKBRPBDZWZLF-CYBMUJFWSA-N 0 3 293.411 2.799 50 0 CFAAHN O[C@]1(c2ccccc2)CCN(Cc2ccc3c(c2)CCO3)C1 ZINC000670474306 541011563 /nfs/dbraw/zinc/01/15/63/541011563.db2.gz ZRIPFDDUVFBSRS-LJQANCHMSA-N 0 3 295.382 2.715 50 0 CFAAHN Cc1ncsc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000205680118 541050312 /nfs/dbraw/zinc/05/03/12/541050312.db2.gz PGSOWPUBMLNVJS-NSHDSACASA-N 0 3 262.382 2.554 50 0 CFAAHN CCN1CCCC[C@@H]1CNc1nnc(C(C)C)s1 ZINC000301748206 201174584 /nfs/dbraw/zinc/17/45/84/201174584.db2.gz ZXWNBIQJKYLIAG-LLVKDONJSA-N 0 3 268.430 2.948 50 0 CFAAHN CC(=O)N(C[C@@H]1CCCN1Cc1ccsc1)C1CC1 ZINC000275707794 193110676 /nfs/dbraw/zinc/11/06/76/193110676.db2.gz NPVOWMHCYCAFQM-HNNXBMFYSA-N 0 3 278.421 2.723 50 0 CFAAHN CC[C@@H](Cn1cncn1)NCc1ccc(SC)cc1 ZINC000225412262 189750226 /nfs/dbraw/zinc/75/02/26/189750226.db2.gz ZURHSILKIUGUAU-ZDUSSCGKSA-N 0 3 276.409 2.568 50 0 CFAAHN C[C@H](N[C@H]1CCCC1(C)C)C(=O)Nc1nccs1 ZINC000191293444 299416659 /nfs/dbraw/zinc/41/66/59/299416659.db2.gz VVAPRPSRSMZULM-UWVGGRQHSA-N 0 3 267.398 2.638 50 0 CFAAHN CN(C)Cc1cc(C[NH+](C)C)c([O-])c(-c2ccccc2)n1 ZINC000000198830 371556043 /nfs/dbraw/zinc/55/60/43/371556043.db2.gz HCJHGDCFMSUTAV-UHFFFAOYSA-N 0 3 285.391 2.577 50 0 CFAAHN CCN(CC)CCN1c2cccc3c(C)c(C)n(c32)CC1=O ZINC000000036906 371514260 /nfs/dbraw/zinc/51/42/60/371514260.db2.gz RJZQXZPRWWWLFS-UHFFFAOYSA-N 0 3 299.418 2.947 50 0 CFAAHN CCOC(=O)C[C@@H](N)c1ccc(Cl)c(Cl)c1 ZINC000000127724 371537152 /nfs/dbraw/zinc/53/71/52/371537152.db2.gz AHLAIISGKFGMSS-SNVBAGLBSA-N 0 3 262.136 2.946 50 0 CFAAHN O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCCCCC1 ZINC000000212450 371558545 /nfs/dbraw/zinc/55/85/45/371558545.db2.gz WORFDAODWCDIGJ-OAHLLOKOSA-N 0 3 290.407 2.894 50 0 CFAAHN Cc1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 ZINC000000234852 371562211 /nfs/dbraw/zinc/56/22/11/371562211.db2.gz ZIIMWQZHHUGSFL-MRXNPFEDSA-N 0 3 277.408 2.837 50 0 CFAAHN CCOC(=O)[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC000000237919 371565073 /nfs/dbraw/zinc/56/50/73/371565073.db2.gz ACXKBSSRVBDYHM-OAHLLOKOSA-N 0 3 261.365 2.770 50 0 CFAAHN COc1ccc(CN[C@@H]2CCCC[C@H]2OC)cc1OC ZINC000000293331 371580200 /nfs/dbraw/zinc/58/02/00/371580200.db2.gz FKLFVYLEEONXDY-ZIAGYGMSSA-N 0 3 279.380 2.751 50 0 CFAAHN CN(C)C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl ZINC000000303733 371582666 /nfs/dbraw/zinc/58/26/66/371582666.db2.gz IELWSMOKSKLORL-MRVPVSSYSA-N 0 3 298.597 2.948 50 0 CFAAHN C[C@@H](CN1CCCCC1)OC(=O)c1ccccc1F ZINC000000375611 371598553 /nfs/dbraw/zinc/59/85/53/371598553.db2.gz NMMKMJYWBKFVKJ-LBPRGKRZSA-N 0 3 265.328 2.857 50 0 CFAAHN Cc1ccc(CN2CCC(C(=O)NCC(C)C)CC2)cc1 ZINC000000455506 371619971 /nfs/dbraw/zinc/61/99/71/371619971.db2.gz LGGTWVMMUHUWBQ-UHFFFAOYSA-N 0 3 288.435 2.979 50 0 CFAAHN CCN1CCC(NC(=O)c2oc3ccccc3c2C)CC1 ZINC000001459138 371676786 /nfs/dbraw/zinc/67/67/86/371676786.db2.gz GMSNZUONSCRFBL-UHFFFAOYSA-N 0 3 286.375 2.955 50 0 CFAAHN CN1CCC(OC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000000529761 371635660 /nfs/dbraw/zinc/63/56/60/371635660.db2.gz MFNLHFUEHSIUPD-UHFFFAOYSA-N 0 3 267.756 2.520 50 0 CFAAHN O[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000000759114 371648458 /nfs/dbraw/zinc/64/84/58/371648458.db2.gz MVIBJWXEVFIMDV-LLVKDONJSA-N 0 3 275.270 2.542 50 0 CFAAHN O[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000000759116 371648736 /nfs/dbraw/zinc/64/87/36/371648736.db2.gz MVIBJWXEVFIMDV-NSHDSACASA-N 0 3 275.270 2.542 50 0 CFAAHN C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1ccco1 ZINC000000808167 371650947 /nfs/dbraw/zinc/65/09/47/371650947.db2.gz ISBCEVPZIPFBSV-ZDUSSCGKSA-N 0 3 273.332 2.957 50 0 CFAAHN CCOC(=O)CCCCNCc1ccccc1F ZINC000003028188 371768305 /nfs/dbraw/zinc/76/83/05/371768305.db2.gz PQRAVXOOIGYTDF-UHFFFAOYSA-N 0 3 253.317 2.649 50 0 CFAAHN CCCCNCC(=O)Nc1ccc(Br)cc1 ZINC000002998084 371768725 /nfs/dbraw/zinc/76/87/25/371768725.db2.gz JSIRIWCYYHGDPY-UHFFFAOYSA-N 0 3 285.185 2.777 50 0 CFAAHN COCCNCCOc1ccccc1-c1ccccc1 ZINC000003003177 371769132 /nfs/dbraw/zinc/76/91/32/371769132.db2.gz WFZOYRZOOJWIEL-UHFFFAOYSA-N 0 3 271.360 2.968 50 0 CFAAHN COc1ccc(CC[C@H]2NCCn3cccc32)cc1 ZINC000003141338 371775827 /nfs/dbraw/zinc/77/58/27/371775827.db2.gz KVOHIVXSRDIIOT-OAHLLOKOSA-N 0 3 256.349 2.774 50 0 CFAAHN CC[NH+](CC)CCOC(=S)[N-]C1CCCCC1 ZINC000003132322 371776242 /nfs/dbraw/zinc/77/62/42/371776242.db2.gz UFKQCBQAWZUAGZ-UHFFFAOYSA-N 0 3 258.431 2.552 50 0 CFAAHN CCOC(=O)C[C@@H](N)c1ccc(C)cc1Br ZINC000002582540 371741376 /nfs/dbraw/zinc/74/13/76/371741376.db2.gz JWMOLPFKQUZGIE-LLVKDONJSA-N 0 3 286.169 2.711 50 0 CFAAHN C[C@@H](NC(=O)CN1CCCCCC1)c1ccc(F)cc1 ZINC000003420078 371798375 /nfs/dbraw/zinc/79/83/75/371798375.db2.gz IBFJNXZHLRLILS-CYBMUJFWSA-N 0 3 278.371 2.879 50 0 CFAAHN COc1ccc2[nH]c(C)c(CCNCc3ncc[nH]3)c2c1 ZINC000003622251 371814333 /nfs/dbraw/zinc/81/43/33/371814333.db2.gz MDYNMJKUQXLWHL-UHFFFAOYSA-N 0 3 284.363 2.540 50 0 CFAAHN CN1CCC(OC(=O)c2cc3ccccc3o2)CC1 ZINC000004476140 371857198 /nfs/dbraw/zinc/85/71/98/371857198.db2.gz WUZDILKTXWSPLI-UHFFFAOYSA-N 0 3 259.305 2.684 50 0 CFAAHN FC(F)(F)CNC1CCN(Cc2ccccc2)CC1 ZINC000004207064 371842583 /nfs/dbraw/zinc/84/25/83/371842583.db2.gz WWZHELMAWQPKCQ-UHFFFAOYSA-N 0 3 272.314 2.803 50 0 CFAAHN c1sc2c(c1CN1CCC3(CC1)OCCO3)CCCC2 ZINC000006895109 371893658 /nfs/dbraw/zinc/89/36/58/371893658.db2.gz RMFZWMMLZWRMAJ-UHFFFAOYSA-N 0 3 293.432 2.966 50 0 CFAAHN CC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000012912840 371997481 /nfs/dbraw/zinc/99/74/81/371997481.db2.gz AFMFDRBCNSSYPZ-UHFFFAOYSA-N 0 3 291.782 2.580 50 0 CFAAHN CNC(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000012333706 371953518 /nfs/dbraw/zinc/95/35/18/371953518.db2.gz ILBIFXSVAWJIMN-UHFFFAOYSA-N 0 3 274.408 2.768 50 0 CFAAHN COc1ccc([C@@H]2NCC[C@]3(O)CCCC[C@@H]23)cc1 ZINC000013426439 372026587 /nfs/dbraw/zinc/02/65/87/372026587.db2.gz PCTOTSPQXJTUKT-HRCADAONSA-N 0 3 261.365 2.651 50 0 CFAAHN COc1ccc(CNCCCOC(C)C)c(OC)c1 ZINC000013718099 372043382 /nfs/dbraw/zinc/04/33/82/372043382.db2.gz VVYWCUBLFSQESX-UHFFFAOYSA-N 0 3 267.369 2.609 50 0 CFAAHN O=C(NCCNCc1cccc(Cl)c1)c1ccccc1 ZINC000013942691 372053129 /nfs/dbraw/zinc/05/31/29/372053129.db2.gz WRYZCQIIDMJIOP-UHFFFAOYSA-N 0 3 288.778 2.860 50 0 CFAAHN CN(C(=O)c1ccccc1Cl)C1CCN(C)CC1 ZINC000012973407 372004980 /nfs/dbraw/zinc/00/49/80/372004980.db2.gz NOMBDDLITQXGFQ-UHFFFAOYSA-N 0 3 266.772 2.506 50 0 CFAAHN O=C(Nc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000012981273 372006232 /nfs/dbraw/zinc/00/62/32/372006232.db2.gz UBKKWGSNRBQAKZ-UHFFFAOYSA-N 0 3 273.380 2.779 50 0 CFAAHN CCN1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC000016604468 372113373 /nfs/dbraw/zinc/11/33/73/372113373.db2.gz BWBYVBBLVLLKOO-UHFFFAOYSA-N 0 3 272.801 2.616 50 0 CFAAHN CCN1CCC(NC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000016604155 372113621 /nfs/dbraw/zinc/11/36/21/372113621.db2.gz NQVMWHCXIQBSPF-UHFFFAOYSA-N 0 3 292.448 2.841 50 0 CFAAHN Cc1ccc(C)c([C@@H](C)NCC(=O)NCc2ccco2)c1 ZINC000016695407 372118339 /nfs/dbraw/zinc/11/83/39/372118339.db2.gz WHJRJLITZZZYRP-CQSZACIVSA-N 0 3 286.375 2.863 50 0 CFAAHN COc1cc(C)c(CNCc2ccncc2)cc1C ZINC000016941725 372121293 /nfs/dbraw/zinc/12/12/93/372121293.db2.gz KUYXWKUYAFCAMG-UHFFFAOYSA-N 0 3 256.349 2.997 50 0 CFAAHN CC(C)N1CCN(Cc2ccccc2Br)CC1 ZINC000019448013 372164347 /nfs/dbraw/zinc/16/43/47/372164347.db2.gz XLKYQZDSTJAFCA-UHFFFAOYSA-N 0 3 297.240 2.975 50 0 CFAAHN CC1CCC(N2CCN(Cc3cccnc3)CC2)CC1 ZINC000019495954 372167599 /nfs/dbraw/zinc/16/75/99/372167599.db2.gz ZXOZQKJHZGDQPQ-UHFFFAOYSA-N 0 3 273.424 2.778 50 0 CFAAHN CCOc1ccc(CN2CCN(C(C)C)CC2)cc1 ZINC000019533314 372174480 /nfs/dbraw/zinc/17/44/80/372174480.db2.gz AKVZZAUKYKHSLD-UHFFFAOYSA-N 0 3 262.397 2.611 50 0 CFAAHN CCOCCOc1ccccc1CNCCN(CC)CC ZINC000019737648 372183876 /nfs/dbraw/zinc/18/38/76/372183876.db2.gz VOQSCMJBNUJENC-UHFFFAOYSA-N 0 3 294.439 2.533 50 0 CFAAHN O=C(Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000019790234 372187981 /nfs/dbraw/zinc/18/79/81/372187981.db2.gz NDPCXSSCMJTKCR-UHFFFAOYSA-N 0 3 286.419 2.706 50 0 CFAAHN Cc1nc(-c2ccccc2)[nH]c1CN1CCN(C(C)C)CC1 ZINC000019884285 372202470 /nfs/dbraw/zinc/20/24/70/372202470.db2.gz NXCRNSQXHNYECF-UHFFFAOYSA-N 0 3 298.434 2.911 50 0 CFAAHN COc1ccc(CN2CCC[C@@H](O)C2)c2ccccc12 ZINC000023282019 372255806 /nfs/dbraw/zinc/25/58/06/372255806.db2.gz IUVMYLWLZSPKMT-CQSZACIVSA-N 0 3 271.360 2.805 50 0 CFAAHN C[C@@H](CCN1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000023282084 372259244 /nfs/dbraw/zinc/25/92/44/372259244.db2.gz JBLYGOPLFJUOCM-INIZCTEOSA-N 0 3 296.418 2.792 50 0 CFAAHN CCN1CCC(NC(=O)Nc2cccc(C)c2)CC1 ZINC000023623170 372263224 /nfs/dbraw/zinc/26/32/24/372263224.db2.gz GMOWHAQVRBVHKS-UHFFFAOYSA-N 0 3 261.369 2.601 50 0 CFAAHN NC(=O)[C@H](NCCCCc1ccccc1)c1ccccc1 ZINC000026225672 372316706 /nfs/dbraw/zinc/31/67/06/372316706.db2.gz XQXHAWHLJPEDBX-QGZVFWFLSA-N 0 3 282.387 2.826 50 0 CFAAHN CCN1CCC(NC(=O)c2ccc(F)cc2Cl)CC1 ZINC000029606955 372382949 /nfs/dbraw/zinc/38/29/49/372382949.db2.gz KVJINRTUFSFILB-UHFFFAOYSA-N 0 3 284.762 2.693 50 0 CFAAHN CN(C)[C@@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000032747849 372458719 /nfs/dbraw/zinc/45/87/19/372458719.db2.gz WHGOEQJRXVXRDO-ZBFHGGJFSA-N 0 3 272.392 2.762 50 0 CFAAHN Cc1ccccc1COc1cccc(CNCCO)c1 ZINC000033440394 372494109 /nfs/dbraw/zinc/49/41/09/372494109.db2.gz JASODAXOECGCPY-UHFFFAOYSA-N 0 3 271.360 2.656 50 0 CFAAHN CC(C)CCN1CCN(Cc2ccsc2)C[C@H]1CCO ZINC000036385560 372576677 /nfs/dbraw/zinc/57/66/77/372576677.db2.gz FKRRBSWYRSWZAP-MRXNPFEDSA-N 0 3 296.480 2.663 50 0 CFAAHN Cc1ccc(Cl)cc1NC(=O)CNCC1CCC1 ZINC000036823809 372599239 /nfs/dbraw/zinc/59/92/39/372599239.db2.gz LXRAVJUCKQPTAQ-UHFFFAOYSA-N 0 3 266.772 2.977 50 0 CFAAHN Cc1n[nH]c(C)c1CNCCCN1CCc2ccccc21 ZINC000036864789 372604474 /nfs/dbraw/zinc/60/44/74/372604474.db2.gz MYHXLOQWQCCXOH-UHFFFAOYSA-N 0 3 284.407 2.569 50 0 CFAAHN CCN(CC)[C@@H](CNC(=O)NC1CC1)c1ccsc1 ZINC000042310084 372904314 /nfs/dbraw/zinc/90/43/14/372904314.db2.gz IOUMDYFZHDRDDS-ZDUSSCGKSA-N 0 3 281.425 2.593 50 0 CFAAHN C[C@H](CNC(=O)C[C@H](C)c1ccccc1)N1CCCC1 ZINC000042502873 372928636 /nfs/dbraw/zinc/92/86/36/372928636.db2.gz UASAEECTNMCYBX-LSDHHAIUSA-N 0 3 274.408 2.781 50 0 CFAAHN CCOC(=O)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000042684505 372946529 /nfs/dbraw/zinc/94/65/29/372946529.db2.gz TUKGCVNJUUPUEN-HNNXBMFYSA-N 0 3 261.365 2.994 50 0 CFAAHN Cc1ccc(-c2n[nH]cc2CNC[C@@H](O)c2ccccc2)o1 ZINC000042926483 372967974 /nfs/dbraw/zinc/96/79/74/372967974.db2.gz AXJFQTIGBZJQCX-OAHLLOKOSA-N 0 3 297.358 2.801 50 0 CFAAHN CCOc1ccc([C@H](C)N(C)CCN2CCCC2=O)cc1 ZINC000244678944 189908692 /nfs/dbraw/zinc/90/86/92/189908692.db2.gz IMVXEYWGGMEICE-AWEZNQCLSA-N 0 3 290.407 2.701 50 0 CFAAHN N[C@@H](CC(=O)N1Cc2ccccc2C1)c1ccccc1 ZINC000050912455 373383227 /nfs/dbraw/zinc/38/32/27/373383227.db2.gz RXQCSMPITQKUJN-INIZCTEOSA-N 0 3 266.344 2.619 50 0 CFAAHN C/C(=C\c1ccccc1)CNC[C@@H]1CN(C2CC2)CCO1 ZINC000069818309 220205707 /nfs/dbraw/zinc/20/57/07/220205707.db2.gz UVJOGWQLSPZSKI-HAZIXKIPSA-N 0 3 286.419 2.543 50 0 CFAAHN C[C@@H](CNC(=O)/C=C/c1ccc(F)cc1)N1CCCCC1 ZINC000055932987 373560426 /nfs/dbraw/zinc/56/04/26/373560426.db2.gz WYSGDZHJTJOBLT-RNVIBTMRSA-N 0 3 290.382 2.830 50 0 CFAAHN CC[C@H](C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058265257 373639387 /nfs/dbraw/zinc/63/93/87/373639387.db2.gz YRRYCOUBMRQLGX-OFQRWUPVSA-N 0 3 274.408 2.984 50 0 CFAAHN CN(C(=O)CCn1ccc2ccccc21)C1CCN(C)CC1 ZINC000058299510 373643374 /nfs/dbraw/zinc/64/33/74/373643374.db2.gz UCMAKCCMVOFBTL-UHFFFAOYSA-N 0 3 299.418 2.584 50 0 CFAAHN CN(Cc1ccccc1)C[C@@H](O)Cn1cnc2ccccc21 ZINC000060343613 373691508 /nfs/dbraw/zinc/69/15/08/373691508.db2.gz LPZXSCSDEGYQHR-MRXNPFEDSA-N 0 3 295.386 2.529 50 0 CFAAHN CCCCCN[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000063120303 373786267 /nfs/dbraw/zinc/78/62/67/373786267.db2.gz XVHTZOWGBFQFRL-LLVKDONJSA-N 0 3 259.353 2.764 50 0 CFAAHN Cc1cccc(C(=O)N2CCCN(C(C)C)CC2)c1 ZINC000065474683 373878300 /nfs/dbraw/zinc/87/83/00/373878300.db2.gz SRUMRRWZVWUMPF-UHFFFAOYSA-N 0 3 260.381 2.551 50 0 CFAAHN Cc1ccnc(NC[C@@H]2CCN(Cc3cccnc3)C2)c1 ZINC000065512340 373882475 /nfs/dbraw/zinc/88/24/75/373882475.db2.gz WEUHTPRKJWJTJB-INIZCTEOSA-N 0 3 282.391 2.719 50 0 CFAAHN Cc1ccc(C(=O)N2CCCC[C@H]2CN(C)C)cc1 ZINC000065588765 373891293 /nfs/dbraw/zinc/89/12/93/373891293.db2.gz TZILFLZJBLRANG-HNNXBMFYSA-N 0 3 260.381 2.551 50 0 CFAAHN CC(C)c1nn(C)cc1CNCCc1cn2ccccc2n1 ZINC000065588867 373891990 /nfs/dbraw/zinc/89/19/90/373891990.db2.gz FBVMBFYNDXXAPP-UHFFFAOYSA-N 0 3 297.406 2.524 50 0 CFAAHN Cc1ccnc(NCCN[C@@H](C)CC(F)(F)F)c1 ZINC000065370204 373858812 /nfs/dbraw/zinc/85/88/12/373858812.db2.gz DIOVNJRYRXBEMM-JTQLQIEISA-N 0 3 261.291 2.732 50 0 CFAAHN Cc1ccccc1NC(=O)CN[C@H](C)COc1ccccc1 ZINC000065385420 373864760 /nfs/dbraw/zinc/86/47/60/373864760.db2.gz IGQYTEOFZUCLKT-OAHLLOKOSA-N 0 3 298.386 2.991 50 0 CFAAHN C[C@@H](c1ccncc1)N(C)Cc1cccc2nonc21 ZINC000065405249 373865978 /nfs/dbraw/zinc/86/59/78/373865978.db2.gz IJIWEBKXHXHXLQ-NSHDSACASA-N 0 3 268.320 2.811 50 0 CFAAHN Cc1cccc(OCCN2CCCC[C@H]2CO)c1C ZINC000065418922 373868402 /nfs/dbraw/zinc/86/84/02/373868402.db2.gz JJCBAQBOOSDMAT-HNNXBMFYSA-N 0 3 263.381 2.529 50 0 CFAAHN C(NC1CSCCSC1)c1n[nH]c2c1CCCCC2 ZINC000067695153 373994174 /nfs/dbraw/zinc/99/41/74/373994174.db2.gz GOHAMLGBTSEEJW-UHFFFAOYSA-N 0 3 297.493 2.617 50 0 CFAAHN CC(C)=Cc1nc(-c2c(C)ncc3c2CCNC3)no1 ZINC000067805240 374004988 /nfs/dbraw/zinc/00/49/88/374004988.db2.gz QEEGDFAXNHCBBJ-UHFFFAOYSA-N 0 3 270.336 2.509 50 0 CFAAHN CCOc1ccc2[nH]c(=O)c(CN3CC=CCC3)cc2c1 ZINC000067879594 374013628 /nfs/dbraw/zinc/01/36/28/374013628.db2.gz YQCSXKBERBNECC-UHFFFAOYSA-N 0 3 284.359 2.689 50 0 CFAAHN CCc1csc(CN[C@H](C)CC(C)(C)OC)n1 ZINC000067947831 374018248 /nfs/dbraw/zinc/01/82/48/374018248.db2.gz RRCVWOXFFXVCAA-SNVBAGLBSA-N 0 3 256.415 2.999 50 0 CFAAHN CC[C@H]1CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CCN1 ZINC000067654276 373989779 /nfs/dbraw/zinc/98/97/79/373989779.db2.gz JNZBMESHUREUHS-AWEZNQCLSA-N 0 3 285.391 2.609 50 0 CFAAHN C(NC1CSCCSC1)c1[nH]nc2c1CCCCC2 ZINC000067695153 373994163 /nfs/dbraw/zinc/99/41/63/373994163.db2.gz GOHAMLGBTSEEJW-UHFFFAOYSA-N 0 3 297.493 2.617 50 0 CFAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000069599058 374078569 /nfs/dbraw/zinc/07/85/69/374078569.db2.gz YMQDHCHTEKPRHO-CABCVRRESA-N 0 3 276.355 2.525 50 0 CFAAHN CC(C)CN1CCN(Cn2cc(-c3ccccc3)cn2)CC1 ZINC000068313934 374026152 /nfs/dbraw/zinc/02/61/52/374026152.db2.gz KYQFXVUBCNMWIL-UHFFFAOYSA-N 0 3 298.434 2.781 50 0 CFAAHN CC(C)(C)[C@@H](O)CN1CCN(CC2CCCCC2)CC1 ZINC000069627807 374080785 /nfs/dbraw/zinc/08/07/85/374080785.db2.gz AUXNMCHUNKTRFJ-INIZCTEOSA-N 0 3 282.472 2.591 50 0 CFAAHN CCCN1CCCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000069665635 374083472 /nfs/dbraw/zinc/08/34/72/374083472.db2.gz GWUZWUIJBSVWRX-UHFFFAOYSA-N 0 3 282.334 2.523 50 0 CFAAHN CC(C)CN(CC(=O)N[C@@H](C)c1ccco1)C1CC1 ZINC000069322029 374053700 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Cc1cc(CN2CCC[C@@](C)(CO)C2)ccc1F ZINC000093340805 375219732 /nfs/dbraw/zinc/21/97/32/375219732.db2.gz NCBOPJOPJQZHLW-OAHLLOKOSA-N 0 3 251.345 2.729 50 0 CFAAHN CC(C)Cc1ncc(CN(C)C[C@@H]2CCOC2)s1 ZINC000093840456 375321615 /nfs/dbraw/zinc/32/16/15/375321615.db2.gz HLMDLOWOHLMVGG-LBPRGKRZSA-N 0 3 268.426 2.810 50 0 CFAAHN C[C@@H]1CCC[C@@H](C)C1NCc1cc(=O)n2ccsc2n1 ZINC000095462565 375457118 /nfs/dbraw/zinc/45/71/18/375457118.db2.gz TZDRFZOXRJREJY-GHMZBOCLSA-N 0 3 291.420 2.670 50 0 CFAAHN CC(C)[C@H](O)C1(CN[C@@H](C)c2cncc(F)c2)CC1 ZINC000095988222 375465047 /nfs/dbraw/zinc/46/50/47/375465047.db2.gz YCTWZOQCTDRTSM-FZMZJTMJSA-N 0 3 266.360 2.668 50 0 CFAAHN CCOCCN1CCC[C@H](c2nccn2C(C)C)C1 ZINC000095362954 375422055 /nfs/dbraw/zinc/42/20/55/375422055.db2.gz MEOTXHHLDLNYJS-AWEZNQCLSA-N 0 3 265.401 2.680 50 0 CFAAHN COc1ccc([C@H]2[C@@H](CNc3ncccn3)CCN2C)cc1 ZINC000095397636 375430325 /nfs/dbraw/zinc/43/03/25/375430325.db2.gz PJPATEZLAMSCFC-ZBFHGGJFSA-N 0 3 298.390 2.590 50 0 CFAAHN CCOCCN1CCC[C@H](n2cnc3ccccc32)C1 ZINC000095400877 375431763 /nfs/dbraw/zinc/43/17/63/375431763.db2.gz GBRYVOCKRMFZME-AWEZNQCLSA-N 0 3 273.380 2.710 50 0 CFAAHN CCc1ccc(CNC[C@@H](CO)c2ccccc2)o1 ZINC000095415537 375438061 /nfs/dbraw/zinc/43/80/61/375438061.db2.gz LFSQVJALOMUINI-AWEZNQCLSA-N 0 3 259.349 2.708 50 0 CFAAHN COC(=O)N1CCC[C@H](N[C@H](C)c2ccc(OC)cc2)C1 ZINC000095421620 375441211 /nfs/dbraw/zinc/44/12/11/375441211.db2.gz UXTOEIXKOOMSFG-OCCSQVGLSA-N 0 3 292.379 2.577 50 0 CFAAHN CC1(C)C[C@@H](NCc2cn3ccsc3n2)C(C)(C)O1 ZINC000095421037 375441248 /nfs/dbraw/zinc/44/12/48/375441248.db2.gz DZMAPXPDSAIPSK-LLVKDONJSA-N 0 3 279.409 2.832 50 0 CFAAHN CC1(C)C[C@H](NCc2cn3ccsc3n2)C(C)(C)O1 ZINC000095421036 375441267 /nfs/dbraw/zinc/44/12/67/375441267.db2.gz DZMAPXPDSAIPSK-NSHDSACASA-N 0 3 279.409 2.832 50 0 CFAAHN COC[C@H](C)NC[C@H](O)c1cc2ccccc2s1 ZINC000095423745 375441926 /nfs/dbraw/zinc/44/19/26/375441926.db2.gz PXICQEMPLYMDRE-JQWIXIFHSA-N 0 3 265.378 2.559 50 0 CFAAHN c1ncn(CCN2C[C@@H]3CCCC[C@]32c2ccccc2)n1 ZINC000095426355 375443363 /nfs/dbraw/zinc/44/33/63/375443363.db2.gz BKTFDQBXFAUFBV-IRXDYDNUSA-N 0 3 282.391 2.679 50 0 CFAAHN C[C@H](N)C(=O)N1CCC[C@H]1Cc1ccc2ccccc2c1 ZINC000095426488 375443745 /nfs/dbraw/zinc/44/37/45/375443745.db2.gz DPKSXBBGCUWHPO-GUYCJALGSA-N 0 3 282.387 2.721 50 0 CFAAHN Cc1nn(C)c(C)c1CN[C@@H](C)C[C@@H](O)c1cccs1 ZINC000095448921 375453289 /nfs/dbraw/zinc/45/32/89/375453289.db2.gz FITZRJRLSHTALU-IINYFYTJSA-N 0 3 293.436 2.700 50 0 CFAAHN COCCNCc1cn(C)nc1-c1cc2ccccc2o1 ZINC000097159735 375533067 /nfs/dbraw/zinc/53/30/67/375533067.db2.gz IDDBVCRGIZHSGF-UHFFFAOYSA-N 0 3 285.347 2.569 50 0 CFAAHN Cc1n[nH]c(C)c1CNC[C@@H](O)c1ccc(Cl)cc1 ZINC000097159440 375533260 /nfs/dbraw/zinc/53/32/60/375533260.db2.gz YWBDYNAYQBJRMT-CQSZACIVSA-N 0 3 279.771 2.503 50 0 CFAAHN Cc1n[nH]cc1CNC[C@@H](c1ccccc1Cl)N(C)C ZINC000097159341 375533435 /nfs/dbraw/zinc/53/34/35/375533435.db2.gz CCOLKWRTFUVXCA-HNNXBMFYSA-N 0 3 292.814 2.764 50 0 CFAAHN Cc1n[nH]c(C)c1CNCCCOc1ccccc1F ZINC000097159570 375533821 /nfs/dbraw/zinc/53/38/21/375533821.db2.gz DJQAQFTVTHBPNX-UHFFFAOYSA-N 0 3 277.343 2.724 50 0 CFAAHN Cc1cccc(NC[C@H]2CCN(Cc3cccnc3)C2)n1 ZINC000097200934 375538878 /nfs/dbraw/zinc/53/88/78/375538878.db2.gz HKIUJIPKTPMTSV-MRXNPFEDSA-N 0 3 282.391 2.719 50 0 CFAAHN OC[C@@H]1CCN(Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000097230856 375541721 /nfs/dbraw/zinc/54/17/21/375541721.db2.gz CUGHMFSERFBZCK-CYBMUJFWSA-N 0 3 294.826 2.754 50 0 CFAAHN N[C@H](Cc1ccccc1)C(=O)N1CCC2(C1)CCCCC2 ZINC000097019168 375496314 /nfs/dbraw/zinc/49/63/14/375496314.db2.gz IXZBTJBELFLBJX-MRXNPFEDSA-N 0 3 286.419 2.739 50 0 CFAAHN Cc1ccc([C@H](C)Nc2cnn(CCN(C)C)c2)cc1 ZINC000097037665 375498512 /nfs/dbraw/zinc/49/85/12/375498512.db2.gz WNZAYVBMCJIMET-AWEZNQCLSA-N 0 3 272.396 2.926 50 0 CFAAHN COc1cc(F)cc(NC(=O)N(CCN(C)C)C(C)C)c1 ZINC000097081510 375509325 /nfs/dbraw/zinc/50/93/25/375509325.db2.gz KMTPJJSCPVVEKE-UHFFFAOYSA-N 0 3 297.374 2.638 50 0 CFAAHN c1cc(N2CCCC2)ncc1CN1CCCSCC1 ZINC000097113635 375524946 /nfs/dbraw/zinc/52/49/46/375524946.db2.gz UZMIMVLJHFBGOT-UHFFFAOYSA-N 0 3 277.437 2.621 50 0 CFAAHN Cc1ncccc1CN1CCC[C@H](Cc2nccn2C)C1 ZINC000097139207 375527376 /nfs/dbraw/zinc/52/73/76/375527376.db2.gz RMNMKCCQXVPCQK-OAHLLOKOSA-N 0 3 284.407 2.578 50 0 CFAAHN Cc1[nH]nc(CN(C)CCC[C@H]2CCCO2)c1Cl ZINC000097730186 375582262 /nfs/dbraw/zinc/58/22/62/375582262.db2.gz SOPPZPHMHKHCJV-NSHDSACASA-N 0 3 271.792 2.763 50 0 CFAAHN Cc1n[nH]c(C)c1-c1ccc(CN2CCCC2)cn1 ZINC000097785242 375584933 /nfs/dbraw/zinc/58/49/33/375584933.db2.gz UYNYLXAAXZCXSC-UHFFFAOYSA-N 0 3 256.353 2.684 50 0 CFAAHN CC/C=C(\C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000101395811 375636046 /nfs/dbraw/zinc/63/60/46/375636046.db2.gz IEQSGZYNKHGYDE-GLNPCMGASA-N 0 3 260.381 2.762 50 0 CFAAHN CSC[C@@H](C)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000131586303 377734153 /nfs/dbraw/zinc/73/41/53/377734153.db2.gz XTZZDGAGSLXOLZ-NXEZZACHSA-N 0 3 253.367 2.817 50 0 CFAAHN CCc1noc(C)c1CN[C@H]1CC(C)(C)OC1(C)C ZINC000132402017 377835405 /nfs/dbraw/zinc/83/54/05/377835405.db2.gz CWNRIVRBNPNCHY-ZDUSSCGKSA-N 0 3 266.385 2.981 50 0 CFAAHN c1ccc2c(c1)CCC[C@]21C[C@H]1CNCc1cncnc1 ZINC000151405115 378324375 /nfs/dbraw/zinc/32/43/75/378324375.db2.gz KALNASUXUJYUKF-FUHWJXTLSA-N 0 3 279.387 2.860 50 0 CFAAHN CSCc1nnc(SCC[C@H]2CCCCN2C)o1 ZINC000330033369 378521463 /nfs/dbraw/zinc/52/14/63/378521463.db2.gz ZQXZVGGRULBCAK-SNVBAGLBSA-N 0 3 287.454 2.899 50 0 CFAAHN CSCc1nnc(SCC[C@@H]2CCCCN2C)o1 ZINC000330033367 378521808 /nfs/dbraw/zinc/52/18/08/378521808.db2.gz ZQXZVGGRULBCAK-JTQLQIEISA-N 0 3 287.454 2.899 50 0 CFAAHN C[C@H](CCN(C)[C@@H](C)C[S@](C)=O)c1ccccc1 ZINC000170607118 379126290 /nfs/dbraw/zinc/12/62/90/379126290.db2.gz FRANEKMOHVLMRS-GLJUWKHASA-N 0 3 267.438 2.879 50 0 CFAAHN FC(F)(F)C1CCN(C[C@H]2CCCCO2)CC1 ZINC000174189845 379842360 /nfs/dbraw/zinc/84/23/60/379842360.db2.gz XLWXBWDGOMUDBI-LLVKDONJSA-N 0 3 251.292 2.830 50 0 CFAAHN Cc1c[nH]cc1C(=O)Nc1ccccc1CN(C)C ZINC000408526031 380942163 /nfs/dbraw/zinc/94/21/63/380942163.db2.gz KBEQVBIHKYZMTO-UHFFFAOYSA-N 0 3 257.337 2.637 50 0 CFAAHN C[C@H](C(=O)N(C)C)N1CCC2(C1)CCCCCC2 ZINC000370197465 381404119 /nfs/dbraw/zinc/40/41/19/381404119.db2.gz MGVFVYFKLOHEIJ-CYBMUJFWSA-N 0 3 252.402 2.509 50 0 CFAAHN O=C(NCCN1CCC(c2ccccc2)CC1)C1CC=CC1 ZINC000299767037 382044413 /nfs/dbraw/zinc/04/44/13/382044413.db2.gz BCCAJNPKEVXMIL-UHFFFAOYSA-N 0 3 298.430 2.948 50 0 CFAAHN COc1ccccc1[C@H]1CNCc2ccccc2O1 ZINC000299787722 382048707 /nfs/dbraw/zinc/04/87/07/382048707.db2.gz XDEKWEBAZDGHJB-MRXNPFEDSA-N 0 3 255.317 2.919 50 0 CFAAHN Cc1cc(NC(=O)Nc2ccc(CN(C)C)cc2)no1 ZINC000045030516 184563747 /nfs/dbraw/zinc/56/37/47/184563747.db2.gz CIJZSPALMLGVJG-UHFFFAOYSA-N 0 3 274.324 2.689 50 0 CFAAHN COC[C@@H](NCCn1cc(C)cn1)c1ccc(Cl)cc1 ZINC000193667365 382722126 /nfs/dbraw/zinc/72/21/26/382722126.db2.gz ZWCTUMFGPAZEDE-OAHLLOKOSA-N 0 3 293.798 2.822 50 0 CFAAHN C[C@@H](CO)N[C@@H](C)c1cc(Br)cs1 ZINC000194060988 382734345 /nfs/dbraw/zinc/73/43/45/382734345.db2.gz VQUAZPZNVWOREO-BQBZGAKWSA-N 0 3 264.188 2.542 50 0 CFAAHN Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)ccn1C ZINC000195147573 382762739 /nfs/dbraw/zinc/76/27/39/382762739.db2.gz HKQXFHVYACOMCU-KRWDZBQOSA-N 0 3 299.418 2.675 50 0 CFAAHN N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000195529693 382768971 /nfs/dbraw/zinc/76/89/71/382768971.db2.gz RYBBGEILDAKLLE-MSOLQXFVSA-N 0 3 294.398 2.573 50 0 CFAAHN CCc1ccc(CN(C)CCCc2nccn2C)o1 ZINC000216420399 382783778 /nfs/dbraw/zinc/78/37/78/382783778.db2.gz HTQMHCIONDDCNT-UHFFFAOYSA-N 0 3 261.369 2.640 50 0 CFAAHN CSc1ccccc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000225494946 382817305 /nfs/dbraw/zinc/81/73/05/382817305.db2.gz CCWZZFNCHWTIDA-JSGCOSHPSA-N 0 3 290.432 2.575 50 0 CFAAHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC000229405749 382851487 /nfs/dbraw/zinc/85/14/87/382851487.db2.gz MTLOBGZEUWKBSA-WMLDXEAASA-N 0 3 295.386 2.647 50 0 CFAAHN CNCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000237281959 382955170 /nfs/dbraw/zinc/95/51/70/382955170.db2.gz GOQLCBFQOCYCKZ-UHFFFAOYSA-N 0 3 276.286 2.790 50 0 CFAAHN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C(C)(C)N ZINC000236907321 382928803 /nfs/dbraw/zinc/92/88/03/382928803.db2.gz WVFOHFPTJJXZKF-GFCCVEGCSA-N 0 3 278.396 2.526 50 0 CFAAHN O=C(CCN1CCC[C@@H]1c1ccccn1)Nc1cccnc1 ZINC000244742178 382990967 /nfs/dbraw/zinc/99/09/67/382990967.db2.gz ODCAQZWSVNKQCE-MRXNPFEDSA-N 0 3 296.374 2.642 50 0 CFAAHN CN(Cc1cc(-c2ccccn2)no1)C[C@@H]1CCCOC1 ZINC000244900301 382995677 /nfs/dbraw/zinc/99/56/77/382995677.db2.gz ZZRZVUOMBYYBHG-ZDUSSCGKSA-N 0 3 287.363 2.595 50 0 CFAAHN COC(=O)c1oc([C@H](C)N(C)C[C@H]2CCC[C@@H]2O)cc1C ZINC000246152075 383064587 /nfs/dbraw/zinc/06/45/87/383064587.db2.gz SZIOYUUQRMSDON-XQQFMLRXSA-N 0 3 295.379 2.528 50 0 CFAAHN Cc1ccc([C@H](O)CN2CCC[C@H]2c2cnn(C)c2)cc1C ZINC000248152643 383216111 /nfs/dbraw/zinc/21/61/11/383216111.db2.gz UTUTYAYTMYOUSK-ZWKOTPCHSA-N 0 3 299.418 2.907 50 0 CFAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000248163008 383217000 /nfs/dbraw/zinc/21/70/00/383217000.db2.gz YMQDHCHTEKPRHO-HUUCEWRRSA-N 0 3 276.355 2.525 50 0 CFAAHN OC[C@H]([C@H](NCc1ccccc1F)C1CC1)C1CC1 ZINC000449514789 383349445 /nfs/dbraw/zinc/34/94/45/383349445.db2.gz YXFJSRWUZOLOEK-GOEBONIOSA-N 0 3 263.356 2.712 50 0 CFAAHN Cc1nc(-c2ccc([C@@H](C)[NH+](C)C)cc2)cc(=O)[n-]1 ZINC000426414717 383398770 /nfs/dbraw/zinc/39/87/70/383398770.db2.gz RBMKQMXCFOGKRV-SNVBAGLBSA-N 0 3 257.337 2.780 50 0 CFAAHN Cn1cc(-c2ccc(OCCN3CCCC3)cc2)cn1 ZINC000426555467 383405407 /nfs/dbraw/zinc/40/54/07/383405407.db2.gz IOJHOZZDZUODSF-UHFFFAOYSA-N 0 3 271.364 2.562 50 0 CFAAHN CN(C)CCNC(=O)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000426589030 383406264 /nfs/dbraw/zinc/40/62/64/383406264.db2.gz LYXIZSGAUUOPLV-SFHVURJKSA-N 0 3 286.419 2.566 50 0 CFAAHN C[C@@H](Cc1ccccc1F)N1CCCC[C@H]1CO ZINC000252469969 383410510 /nfs/dbraw/zinc/41/05/10/383410510.db2.gz BRNHCAQZRAUXMI-JSGCOSHPSA-N 0 3 251.345 2.604 50 0 CFAAHN CCc1nccn1CCN(C)Cc1ccc(C)cc1 ZINC000252481630 383411490 /nfs/dbraw/zinc/41/14/90/383411490.db2.gz CPRKLPHNPRKMMW-UHFFFAOYSA-N 0 3 257.381 2.886 50 0 CFAAHN CCc1ccc(CN2CC(N3CCCC[C@@H]3C)C2)nc1 ZINC000252500714 383413901 /nfs/dbraw/zinc/41/39/01/383413901.db2.gz TUNRPBGOPLDQCJ-AWEZNQCLSA-N 0 3 273.424 2.703 50 0 CFAAHN CCS[C@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1 ZINC000253393887 383454492 /nfs/dbraw/zinc/45/44/92/383454492.db2.gz BAALBEJWDMWAIK-KBPBESRZSA-N 0 3 278.421 2.889 50 0 CFAAHN CCn1nccc1CCN1CC[C@H](Nc2ccccc2)C1 ZINC000253420500 383457477 /nfs/dbraw/zinc/45/74/77/383457477.db2.gz JXHHREJBOYHCBO-INIZCTEOSA-N 0 3 284.407 2.632 50 0 CFAAHN COc1cc(C(=O)OCC2(N(C)C)CC2)ccc1Cl ZINC000253426354 383458341 /nfs/dbraw/zinc/45/83/41/383458341.db2.gz ZLAQSZAGAVYFES-UHFFFAOYSA-N 0 3 283.755 2.600 50 0 CFAAHN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cccc2nonc21 ZINC000253426307 383458639 /nfs/dbraw/zinc/45/86/39/383458639.db2.gz ZDJDMUHRQPADKD-AWEZNQCLSA-N 0 3 297.362 2.900 50 0 CFAAHN Cc1c[nH]c(CN(C)CCC[C@@H]2CCCO2)c(C)c1=O ZINC000253536767 383462358 /nfs/dbraw/zinc/46/23/58/383462358.db2.gz NTBFNUYIYOFFFK-CQSZACIVSA-N 0 3 278.396 2.795 50 0 CFAAHN CCn1ncc(CN2CCC3(CC[C@H]3OC)CC2)c1C ZINC000257184487 383491984 /nfs/dbraw/zinc/49/19/84/383491984.db2.gz UVRNWHCKEZLPSS-OAHLLOKOSA-N 0 3 277.412 2.602 50 0 CFAAHN O[C@@H]1CCC12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000257192281 383493730 /nfs/dbraw/zinc/49/37/30/383493730.db2.gz QMYAXNWEHIMTCH-MRXNPFEDSA-N 0 3 297.402 2.814 50 0 CFAAHN N[C@H](CC1CCCCC1)C(=O)Nc1ccc2c[nH]nc2c1 ZINC000261621228 383530957 /nfs/dbraw/zinc/53/09/57/383530957.db2.gz GNGLJQRMEQGVMY-CQSZACIVSA-N 0 3 286.379 2.799 50 0 CFAAHN C[C@H]1CCN(c2ncccn2)CCN1Cc1ccccc1 ZINC000266237114 384123696 /nfs/dbraw/zinc/12/36/96/384123696.db2.gz VSQXKHDTJXVTSS-HNNXBMFYSA-N 0 3 282.391 2.577 50 0 CFAAHN C[C@H](c1ccccc1)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280348904 384983919 /nfs/dbraw/zinc/98/39/19/384983919.db2.gz IEGMFNHXAZMZLV-IJEWVQPXSA-N 0 3 261.365 2.627 50 0 CFAAHN CCCn1nnnc1CN[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000119472874 412995304 /nfs/dbraw/zinc/99/53/04/412995304.db2.gz PHNMJOXJYDAQFK-CHWSQXEVSA-N 0 3 279.432 2.778 50 0 CFAAHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(Cl)c3)[C@H]2C1 ZINC000272486038 385550144 /nfs/dbraw/zinc/55/01/44/385550144.db2.gz VNHJRPIXLNHDGH-RISCZKNCSA-N 0 3 293.798 2.898 50 0 CFAAHN OC[C@H]1CCCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000096483861 285289945 /nfs/dbraw/zinc/28/99/45/285289945.db2.gz JMYJZCDPNOLWES-LRDDRELGSA-N 0 3 263.356 2.907 50 0 CFAAHN CN(C)CCN(C)Cc1ccccc1C(F)(F)F ZINC000019606737 393483219 /nfs/dbraw/zinc/48/32/19/393483219.db2.gz KJKKUXKRMMBWDB-UHFFFAOYSA-N 0 3 260.303 2.699 50 0 CFAAHN C[C@H](c1nc(C2CC2)no1)N1CCC(c2ccn[nH]2)CC1 ZINC000058208503 393623242 /nfs/dbraw/zinc/62/32/42/393623242.db2.gz MABBZRZGQRRTLF-SNVBAGLBSA-N 0 3 287.367 2.611 50 0 CFAAHN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000096419233 393826966 /nfs/dbraw/zinc/82/69/66/393826966.db2.gz GGVCKTYLHILYTR-ZWKOTPCHSA-N 0 3 298.430 2.842 50 0 CFAAHN Cc1ccccc1[C@H]1C[C@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000096419234 393827115 /nfs/dbraw/zinc/82/71/15/393827115.db2.gz GGVCKTYLHILYTR-QZTJIDSGSA-N 0 3 298.430 2.842 50 0 CFAAHN OCCCN(Cc1ccccn1)[C@H]1CCc2ccccc21 ZINC000096424230 393829944 /nfs/dbraw/zinc/82/99/44/393829944.db2.gz MWZXOBKUWCRAHT-SFHVURJKSA-N 0 3 282.387 2.954 50 0 CFAAHN CS[C@@H]1CC[C@H](N(C)CC(=O)N2CCCCCC2)C1 ZINC000110641727 393881519 /nfs/dbraw/zinc/88/15/19/393881519.db2.gz QRJJLLHDFYKSKX-UONOGXRCSA-N 0 3 284.469 2.605 50 0 CFAAHN O=C(NC1CCN(C2CC2)CC1)C1CCCCCC1 ZINC000098009362 393842205 /nfs/dbraw/zinc/84/22/05/393842205.db2.gz QVTLWWLICPNJNW-UHFFFAOYSA-N 0 3 264.413 2.700 50 0 CFAAHN Cc1cn2c(n1)CC[C@H](N[C@@H](C)c1cccc(O)c1)C2 ZINC000252510123 393936743 /nfs/dbraw/zinc/93/67/43/393936743.db2.gz ZBVOQQIZZABFRE-JSGCOSHPSA-N 0 3 271.364 2.563 50 0 CFAAHN CC(C)C[C@@H]1C[C@@H](N[C@@H]2CCn3ccnc32)CCO1 ZINC000453183119 394382162 /nfs/dbraw/zinc/38/21/62/394382162.db2.gz NLBDXCCTTPTULX-BFHYXJOUSA-N 0 3 263.385 2.511 50 0 CFAAHN O=C(NCC1CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000047298356 397584656 /nfs/dbraw/zinc/58/46/56/397584656.db2.gz XFASWBDYVSDHCO-OAHLLOKOSA-N 0 3 290.382 2.564 50 0 CFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)C1CCC1 ZINC000000526112 397535430 /nfs/dbraw/zinc/53/54/30/397535430.db2.gz AMXKHKZYEPHIKK-RDJZCZTQSA-N 0 3 284.403 2.929 50 0 CFAAHN c1ccc2c(c1)OCCC[C@@H]2N[C@H]1CCN(C2CC2)C1 ZINC000095421483 397591841 /nfs/dbraw/zinc/59/18/41/397591841.db2.gz PNCNYTAXBYROJZ-BBRMVZONSA-N 0 3 272.392 2.727 50 0 CFAAHN C(=C\c1ccccc1)\CN1CCCC[C@H]1Cn1cncn1 ZINC000101138746 397593108 /nfs/dbraw/zinc/59/31/08/397593108.db2.gz WHMMCVBNEORLJZ-SKHCZCESSA-N 0 3 282.391 2.846 50 0 CFAAHN COc1ccccc1/C=C/CN(C)CCc1cnn(C)c1 ZINC000215264514 397619368 /nfs/dbraw/zinc/61/93/68/397619368.db2.gz BNNXVZZRLZIJHW-SOFGYWHQSA-N 0 3 285.391 2.616 50 0 CFAAHN Cc1cc(C(=O)N2CCCN(C3CCC3)CC2)c(C)o1 ZINC000825145487 782003475 /nfs/dbraw/zinc/00/34/75/782003475.db2.gz RDUQSXOWMGJIFZ-UHFFFAOYSA-N 0 3 276.380 2.597 50 0 CFAAHN Fc1ccc(-n2cc(CN[C@@H]3CCCSC3)cn2)cc1 ZINC000344714677 162104075 /nfs/dbraw/zinc/10/40/75/162104075.db2.gz FFSMCCZHWXDFOW-CQSZACIVSA-N 0 3 291.395 2.997 50 0 CFAAHN C[C@@H](CN1CCCCC1)OC(=O)/C=C/c1ccco1 ZINC000004723170 170005222 /nfs/dbraw/zinc/00/52/22/170005222.db2.gz GVNDKMWDRWOECD-GWJCSSMESA-N 0 3 263.337 2.710 50 0 CFAAHN CN(C)CCOCCOc1cccc2ccccc21 ZINC000004913849 170040574 /nfs/dbraw/zinc/04/05/74/170040574.db2.gz VHLXJHQHBIEZCY-UHFFFAOYSA-N 0 3 259.349 2.797 50 0 CFAAHN OC[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000004948206 170044436 /nfs/dbraw/zinc/04/44/36/170044436.db2.gz CTBXWKGZTPQJPA-LBPRGKRZSA-N 0 3 273.298 2.910 50 0 CFAAHN COc1cc(C)c(CN2CCSCC2)cc1C ZINC000004978564 170048089 /nfs/dbraw/zinc/04/80/89/170048089.db2.gz IGZARWTXAVRPBO-UHFFFAOYSA-N 0 3 251.395 2.861 50 0 CFAAHN c1csc(CNCc2ccc3c(c2)OCCO3)c1 ZINC000004999747 170052613 /nfs/dbraw/zinc/05/26/13/170052613.db2.gz RICGCCZFQYAQGC-UHFFFAOYSA-N 0 3 261.346 2.809 50 0 CFAAHN Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN1 ZINC000005000665 170053432 /nfs/dbraw/zinc/05/34/32/170053432.db2.gz WRGOUPZDDOHXIW-LBPRGKRZSA-N 0 3 274.393 2.532 50 0 CFAAHN CN(C)CCNC(=O)Nc1cccc(Cl)c1Cl ZINC000005060299 170062073 /nfs/dbraw/zinc/06/20/73/170062073.db2.gz KRCDWRPSCJOVSK-UHFFFAOYSA-N 0 3 276.167 2.677 50 0 CFAAHN CCOc1ccc(C(=O)OCCN2CCCCC2)cc1 ZINC000005247650 170078861 /nfs/dbraw/zinc/07/88/61/170078861.db2.gz QRHJPGNYOKOENA-UHFFFAOYSA-N 0 3 277.364 2.728 50 0 CFAAHN C[C@@H](O)CNCc1cccc(OCc2ccccc2)c1 ZINC000005912743 170154276 /nfs/dbraw/zinc/15/42/76/170154276.db2.gz DWUUAAQDLWCZKR-CQSZACIVSA-N 0 3 271.360 2.736 50 0 CFAAHN Cc1ccc(Cl)cc1NC(=O)NC1CCN(C)CC1 ZINC000006726114 170232853 /nfs/dbraw/zinc/23/28/53/170232853.db2.gz GAMNAJRGBNICLX-UHFFFAOYSA-N 0 3 281.787 2.864 50 0 CFAAHN Cc1cc(C)c(C(=O)NCCN2CCCCC2)c(C)c1 ZINC000006741027 170236838 /nfs/dbraw/zinc/23/68/38/170236838.db2.gz BENRZPJECNLIQO-UHFFFAOYSA-N 0 3 274.408 2.828 50 0 CFAAHN OCCCNCc1cccc(OCc2ccccc2F)c1 ZINC000006889516 170253572 /nfs/dbraw/zinc/25/35/72/170253572.db2.gz FAQOTDKUJBGACR-UHFFFAOYSA-N 0 3 289.350 2.877 50 0 CFAAHN COCC[C@@H](NCCO)c1ccc(Cl)c(Cl)c1 ZINC000284356468 196037603 /nfs/dbraw/zinc/03/76/03/196037603.db2.gz DDPRVKBSWMNEMK-GFCCVEGCSA-N 0 3 278.179 2.653 50 0 CFAAHN C[C@@H]1CCC[C@@H](N2CCN(Cc3cccnc3)CC2)C1 ZINC000019496024 170814835 /nfs/dbraw/zinc/81/48/35/170814835.db2.gz QUPQDKOKZREOSB-NVXWUHKLSA-N 0 3 273.424 2.778 50 0 CFAAHN O=C(Cc1ccccc1)N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000019790060 170867312 /nfs/dbraw/zinc/86/73/12/170867312.db2.gz ZONZVGRQOSCENA-GOSISDBHSA-N 0 3 298.430 2.730 50 0 CFAAHN COc1cccc(CNC[C@H]2COc3ccccc3O2)c1 ZINC000020137612 171025139 /nfs/dbraw/zinc/02/51/39/171025139.db2.gz HNBFFAZQKSJJLC-HNNXBMFYSA-N 0 3 285.343 2.625 50 0 CFAAHN COc1cccc(CNC[C@@H]2COc3ccccc3O2)c1 ZINC000020137609 171025435 /nfs/dbraw/zinc/02/54/35/171025435.db2.gz HNBFFAZQKSJJLC-OAHLLOKOSA-N 0 3 285.343 2.625 50 0 CFAAHN CN(Cc1ncc[nH]1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000020450750 171207739 /nfs/dbraw/zinc/20/77/39/171207739.db2.gz FCWDODNSRRTYAU-KRWDZBQOSA-N 0 3 298.434 2.549 50 0 CFAAHN Fc1ccc(OC2CCN(CCn3cccn3)CC2)cc1 ZINC000020540127 171241468 /nfs/dbraw/zinc/24/14/68/171241468.db2.gz IWNRGKKGBOUINS-UHFFFAOYSA-N 0 3 289.354 2.566 50 0 CFAAHN Cc1[nH]c2ccc(F)cc2c1CCN1CCc2n[nH]cc2C1 ZINC000020878027 171277867 /nfs/dbraw/zinc/27/78/67/171277867.db2.gz METHNZKXPBCXSW-UHFFFAOYSA-N 0 3 298.365 2.939 50 0 CFAAHN CC[C@@H](CO)NCc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928321 171280420 /nfs/dbraw/zinc/28/04/20/171280420.db2.gz UFMBCUQEXMJUDT-VIFPVBQESA-N 0 3 278.179 2.863 50 0 CFAAHN COc1ccc(CNC[C@H]2CCCO2)cc1Cl ZINC000020927922 171280443 /nfs/dbraw/zinc/28/04/43/171280443.db2.gz LGCPURRMYKWZHM-LLVKDONJSA-N 0 3 255.745 2.617 50 0 CFAAHN COc1ccc(CN[C@H]2COc3ccccc3C2)c(F)c1 ZINC000020997575 171284011 /nfs/dbraw/zinc/28/40/11/171284011.db2.gz IZWLCOMYCVCAQC-CQSZACIVSA-N 0 3 287.334 2.928 50 0 CFAAHN COc1ccc(CNC[C@H](O)c2ccccc2)cc1 ZINC000022076128 171352195 /nfs/dbraw/zinc/35/21/95/171352195.db2.gz MSXNHQFOWTZXIY-INIZCTEOSA-N 0 3 257.333 2.518 50 0 CFAAHN COc1ccc(CNC[C@@H](C)Oc2ccccn2)cc1 ZINC000035287328 172104886 /nfs/dbraw/zinc/10/48/86/172104886.db2.gz NVKFAOMIOREZHP-CYBMUJFWSA-N 0 3 272.348 2.647 50 0 CFAAHN CCNC1(c2nnnn2-c2ccc(Cl)cc2)CCCC1 ZINC000035622564 172304013 /nfs/dbraw/zinc/30/40/13/172304013.db2.gz OYROBEBIFFTQHI-UHFFFAOYSA-N 0 3 291.786 2.695 50 0 CFAAHN CC(C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000037547420 173264319 /nfs/dbraw/zinc/26/43/19/173264319.db2.gz TWMRYWXXUNOWEG-HNNXBMFYSA-N 0 3 288.435 2.854 50 0 CFAAHN CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000039619146 174170906 /nfs/dbraw/zinc/17/09/06/174170906.db2.gz RQEVAGQWBQPHNH-UHFFFAOYSA-N 0 3 259.271 2.619 50 0 CFAAHN Cc1ccc(NC(=N)Nc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000040385349 174251398 /nfs/dbraw/zinc/25/13/98/174251398.db2.gz PHFYPEIWBFTBAO-UHFFFAOYSA-N 0 3 293.330 2.690 50 0 CFAAHN CCOCCCNCc1cc(Cl)cc(OC)c1OC ZINC000040722116 174385493 /nfs/dbraw/zinc/38/54/93/174385493.db2.gz HEFDPIQNDKFWSS-UHFFFAOYSA-N 0 3 287.787 2.873 50 0 CFAAHN CCCOc1c(Cl)cc(CNCCCO)cc1OC ZINC000040743714 174390907 /nfs/dbraw/zinc/39/09/07/174390907.db2.gz HAJYEKKAXRAFGO-UHFFFAOYSA-N 0 3 287.787 2.609 50 0 CFAAHN CCCOc1c(Cl)cc(CNC[C@H](C)O)cc1OC ZINC000040743872 174391692 /nfs/dbraw/zinc/39/16/92/174391692.db2.gz XSVZAUGQPVCPDP-JTQLQIEISA-N 0 3 287.787 2.608 50 0 CFAAHN CCN(CCO)CCNc1cccc2ccccc21 ZINC000044125689 175144355 /nfs/dbraw/zinc/14/43/55/175144355.db2.gz RIPAXUYNSROKDU-UHFFFAOYSA-N 0 3 258.365 2.566 50 0 CFAAHN Cn1nc(CNC2CCCCC2)c(-c2ccccc2)n1 ZINC000045944721 175387459 /nfs/dbraw/zinc/38/74/59/175387459.db2.gz SDKPLQZCCATVPB-UHFFFAOYSA-N 0 3 270.380 2.904 50 0 CFAAHN CCOCc1ccccc1CNc1cc(C)nc(N)n1 ZINC000045932558 175387572 /nfs/dbraw/zinc/38/75/72/175387572.db2.gz JFOFHEJGAYLADR-UHFFFAOYSA-N 0 3 272.352 2.516 50 0 CFAAHN CCCc1nc(C)c(C(=O)N2CCC[C@@H](N(C)C)C2)s1 ZINC000065550999 175750144 /nfs/dbraw/zinc/75/01/44/175750144.db2.gz 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FKRBHNYZBUGZAH-KWQFWETISA-N 0 3 274.286 2.620 50 0 CFAAHN Cc1ncsc1CCN(C)Cc1ccc(N(C)C)nc1 ZINC000072409147 176398525 /nfs/dbraw/zinc/39/85/25/176398525.db2.gz TWDQCLDUTDJFDC-UHFFFAOYSA-N 0 3 290.436 2.587 50 0 CFAAHN COc1ccccc1N1CCN(c2ccncc2)[C@H](C)C1 ZINC000077353757 177256416 /nfs/dbraw/zinc/25/64/16/177256416.db2.gz CNLLBCRPGKMKIH-CQSZACIVSA-N 0 3 283.375 2.805 50 0 CFAAHN COc1ccc(CN[C@@H]2CCN(c3ccccc3)C2)cc1O ZINC000078604209 177359585 /nfs/dbraw/zinc/35/95/85/177359585.db2.gz HBTUBSOZWYUFCZ-OAHLLOKOSA-N 0 3 298.386 2.769 50 0 CFAAHN Clc1ccc(CNCCn2cccn2)c2ncccc12 ZINC000078783601 177387927 /nfs/dbraw/zinc/38/79/27/177387927.db2.gz NVGCSYHXZPWSCU-UHFFFAOYSA-N 0 3 286.766 2.875 50 0 CFAAHN C[C@@H]1CCCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000105707694 287345555 /nfs/dbraw/zinc/34/55/55/287345555.db2.gz SFGVXXIRTPCRIM-RDBSUJKOSA-N 0 3 252.402 2.508 50 0 CFAAHN Cn1ccnc1CNC[C@@]1(c2ccccc2)CC1(C)C ZINC000663369128 420502920 /nfs/dbraw/zinc/50/29/20/420502920.db2.gz RQMDYQPIINKGJV-QGZVFWFLSA-N 0 3 269.392 2.878 50 0 CFAAHN c1ccc2c(c1)oc1c2ncnc1N1CCN2CCC[C@@H]2C1 ZINC000024659720 275071768 /nfs/dbraw/zinc/07/17/68/275071768.db2.gz GPIJLLCANAXYFB-GFCCVEGCSA-N 0 3 294.358 2.660 50 0 CFAAHN CC(C)N(CCN1CCC(C)CC1)C(=O)c1cccnc1 ZINC000067654168 275936229 /nfs/dbraw/zinc/93/62/29/275936229.db2.gz HILPMVVRDMBILY-UHFFFAOYSA-N 0 3 289.423 2.664 50 0 CFAAHN CCCNC(=O)CCN[C@H]1CSCCc2ccccc21 ZINC000095420687 276014801 /nfs/dbraw/zinc/01/48/01/276014801.db2.gz HWERXFVNAJWPBL-HNNXBMFYSA-N 0 3 292.448 2.523 50 0 CFAAHN CC(C)c1ccc(OC[C@@H](O)CN2CCCC2)cc1 ZINC000000206955 276055231 /nfs/dbraw/zinc/05/52/31/276055231.db2.gz HAJBFEHBXHROOF-HNNXBMFYSA-N 0 3 263.381 2.646 50 0 CFAAHN CCOC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000034203628 276283815 /nfs/dbraw/zinc/28/38/15/276283815.db2.gz IYQHIBQJNDNQMQ-JKSUJKDBSA-N 0 3 288.391 2.739 50 0 CFAAHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000170625327 276363577 /nfs/dbraw/zinc/36/35/77/276363577.db2.gz 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CFAAHN Cc1oncc1C(=O)Nc1ccccc1CN1CCCC1 ZINC000828205351 782081657 /nfs/dbraw/zinc/08/16/57/782081657.db2.gz CEUPXRITOGNBAJ-UHFFFAOYSA-N 0 3 285.347 2.831 50 0 CFAAHN CCC[C@H](CNC(=O)c1sccc1Cl)N(C)C ZINC000534574514 328309430 /nfs/dbraw/zinc/30/94/30/328309430.db2.gz BVMYREIBDYAVPT-SECBINFHSA-N 0 3 274.817 2.862 50 0 CFAAHN Cc1cc(F)ccc1N1CCC(NCc2cc[nH]n2)CC1 ZINC000534582528 328312350 /nfs/dbraw/zinc/31/23/50/328312350.db2.gz STKWBEHPLVUJCP-UHFFFAOYSA-N 0 3 288.370 2.616 50 0 CFAAHN C[C@@H](C(=O)NC1(c2ccccc2Cl)CC1)N1CCCC1 ZINC000534655198 328339417 /nfs/dbraw/zinc/33/94/17/328339417.db2.gz NEOBMIAJSXYGKZ-LBPRGKRZSA-N 0 3 292.810 2.930 50 0 CFAAHN Cc1ccc(NC(=O)C2CCN(C3CC3)CC2)c(C)c1O ZINC000194753508 324094627 /nfs/dbraw/zinc/09/46/27/324094627.db2.gz YSDADIOMKHKGMT-UHFFFAOYSA-N 0 3 288.391 2.822 50 0 CFAAHN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CN ZINC000195542442 324108258 /nfs/dbraw/zinc/10/82/58/324108258.db2.gz OQYLWMISLDRARR-ZDUSSCGKSA-N 0 3 268.360 2.832 50 0 CFAAHN Cc1ncsc1CCN[C@@H](C)c1cn2ccccc2n1 ZINC000577528961 324749827 /nfs/dbraw/zinc/74/98/27/324749827.db2.gz LFLRHMXKLRTESH-NSHDSACASA-N 0 3 286.404 2.993 50 0 CFAAHN Fc1cccc(CSc2nnc([C@@H]3CCCN3)o2)c1 ZINC000005500589 326815971 /nfs/dbraw/zinc/81/59/71/326815971.db2.gz UGJANUONRDURIV-NSHDSACASA-N 0 3 279.340 2.926 50 0 CFAAHN Cc1ccc(CN(C)C)cc1NC(=O)c1cscn1 ZINC000096451804 533870448 /nfs/dbraw/zinc/87/04/48/533870448.db2.gz HEWAZTRYDRDREE-UHFFFAOYSA-N 0 3 275.377 2.765 50 0 CFAAHN C[C@H](CCS(C)(=O)=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000096479381 533978635 /nfs/dbraw/zinc/97/86/35/533978635.db2.gz JDFOKOZGFBCKMX-GHMZBOCLSA-N 0 3 289.828 2.814 50 0 CFAAHN CCCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000069321915 519853672 /nfs/dbraw/zinc/85/36/72/519853672.db2.gz WHLPZHWHHQMTCS-ZDUSSCGKSA-N 0 3 262.401 2.594 50 0 CFAAHN C[C@H](NCCOC[C@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000096477750 525357341 /nfs/dbraw/zinc/35/73/41/525357341.db2.gz YAZLRYMONBUHKV-XHDPSFHLSA-N 0 3 285.334 2.811 50 0 CFAAHN CCN(C)C[C@](C)(O)c1ccccc1C(F)(F)F ZINC000096441397 527840401 /nfs/dbraw/zinc/84/04/01/527840401.db2.gz JTQXFMJXLNTDMN-LBPRGKRZSA-N 0 3 261.287 2.865 50 0 CFAAHN CCC[C@@H](C(=O)NC[C@@H]1CCCN1CC)c1ccccn1 ZINC000225807754 528843623 /nfs/dbraw/zinc/84/36/23/528843623.db2.gz IXHZDLVPTWYMTB-LSDHHAIUSA-N 0 3 289.423 2.566 50 0 CFAAHN COc1cccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)c1OC ZINC000022018091 617939358 /nfs/dbraw/zinc/93/93/58/617939358.db2.gz ALDVPIHLUBBLNN-QRTARXTBSA-N 0 3 291.391 2.660 50 0 CFAAHN Cc1ccc(C)c(N2CCN([C@H]3CCSC3)CC2)c1 ZINC000023282624 618367037 /nfs/dbraw/zinc/36/70/37/618367037.db2.gz RLRWQTOOLGBOQG-HNNXBMFYSA-N 0 3 276.449 2.931 50 0 CFAAHN CCOC(=O)[C@@H]1CCCCN1[C@H]1CCC[C@@H](C)C1 ZINC000008556390 619096835 /nfs/dbraw/zinc/09/68/35/619096835.db2.gz XGSFSMOKZNRERD-RDBSUJKOSA-N 0 3 253.386 2.983 50 0 CFAAHN COc1cccc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)c1OC ZINC000008553107 620377790 /nfs/dbraw/zinc/37/77/90/620377790.db2.gz ALDVPIHLUBBLNN-UKPHBRMFSA-N 0 3 291.391 2.660 50 0 CFAAHN CN(CCC1CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000173372322 623345474 /nfs/dbraw/zinc/34/54/74/623345474.db2.gz QXOHQRLOJMOBSK-HNNXBMFYSA-N 0 3 258.365 2.524 50 0 CFAAHN CCc1ccc(-c2noc([C@@H]3CN4CCC[C@@H]4CO3)n2)cc1 ZINC000874435602 624452620 /nfs/dbraw/zinc/45/26/20/624452620.db2.gz ZBOZJJQAESKKLQ-CABCVRRESA-N 0 3 299.374 2.835 50 0 CFAAHN Cc1ncsc1CN[C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000863983382 637832603 /nfs/dbraw/zinc/83/26/03/637832603.db2.gz GMKOFZQPNBOCSI-NSHDSACASA-N 0 3 299.403 2.883 50 0 CFAAHN COc1cccc(CN[C@@H]2COc3ccccc3C2)c1F ZINC000192675075 650584398 /nfs/dbraw/zinc/58/43/98/650584398.db2.gz OMASETVCEJCKKL-AWEZNQCLSA-N 0 3 287.334 2.928 50 0 CFAAHN COc1ccc(F)c(F)c1CNCCCn1ccnc1C ZINC000952967673 650790101 /nfs/dbraw/zinc/79/01/01/650790101.db2.gz BNBCTYUQMWVMJN-UHFFFAOYSA-N 0 3 295.333 2.658 50 0 CFAAHN CC1=NO[C@H](CNCc2cccc(Br)c2)C1 ZINC000877871072 643613487 /nfs/dbraw/zinc/61/34/87/643613487.db2.gz JTJXFSFAENAMMR-LBPRGKRZSA-N 0 3 283.169 2.704 50 0 CFAAHN CC1=NO[C@@H](CNCc2cccc(Br)c2)C1 ZINC000877871071 643613614 /nfs/dbraw/zinc/61/36/14/643613614.db2.gz JTJXFSFAENAMMR-GFCCVEGCSA-N 0 3 283.169 2.704 50 0 CFAAHN Cc1cccc(OC2CCN(CCn3cccn3)CC2)c1 ZINC000020993903 651302538 /nfs/dbraw/zinc/30/25/38/651302538.db2.gz KXMDCZFIVPWREO-UHFFFAOYSA-N 0 3 285.391 2.735 50 0 CFAAHN CN(C)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038832622 777865502 /nfs/dbraw/zinc/86/55/02/777865502.db2.gz XZDTWPHUHCJJKJ-CYBMUJFWSA-N 0 3 280.799 2.640 50 0 CFAAHN CC[C@@H](C(=O)NCc1ccc2[nH]c(C)cc2c1)N(C)CC ZINC000822555788 781903672 /nfs/dbraw/zinc/90/36/72/781903672.db2.gz NBRLGHBYDOZJQB-INIZCTEOSA-N 0 3 287.407 2.823 50 0 CFAAHN COCCC[C@H](C)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000096496501 230384162 /nfs/dbraw/zinc/38/41/62/230384162.db2.gz SWCPKCMWHOGDID-HOTGVXAUSA-N 0 3 296.455 2.526 50 0 CFAAHN CCCC[C@@H](NC1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000095943396 185037104 /nfs/dbraw/zinc/03/71/04/185037104.db2.gz TUUSSKPBQLVGES-CQSZACIVSA-N 0 3 284.444 2.571 50 0 CFAAHN c1n[nH]c2c1CCC[C@H]2NCc1cccc2c1OCCCO2 ZINC000095967395 185047215 /nfs/dbraw/zinc/04/72/15/185047215.db2.gz RROSUNYLLMADCJ-CQSZACIVSA-N 0 3 299.374 2.738 50 0 CFAAHN COCCn1nc(C)c([C@@H](C)N[C@@H]2CCCSC2)c1C ZINC000095982182 185053800 /nfs/dbraw/zinc/05/38/00/185053800.db2.gz CBGDRGFMBAVKJL-BXUZGUMPSA-N 0 3 297.468 2.693 50 0 CFAAHN CC(C)CNc1ccc(CCN2CCN(C)CC2)cc1 ZINC000095981675 185053897 /nfs/dbraw/zinc/05/38/97/185053897.db2.gz HNNLGSMWMGDVGC-UHFFFAOYSA-N 0 3 275.440 2.544 50 0 CFAAHN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCC(=O)NC(C)(C)C ZINC000096009145 185063990 /nfs/dbraw/zinc/06/39/90/185063990.db2.gz ZAGCVPRKKFBIMS-CFVMTHIKSA-N 0 3 274.408 2.683 50 0 CFAAHN O=C1NCC[C@H]1N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000097034248 185157280 /nfs/dbraw/zinc/15/72/80/185157280.db2.gz QIITXZNLHOHVHD-OLZOCXBDSA-N 0 3 298.308 2.635 50 0 CFAAHN C[C@H](NC[C@]1(O)CCOC1)c1cc2cc(Cl)ccc2o1 ZINC000097034792 185157310 /nfs/dbraw/zinc/15/73/10/185157310.db2.gz WISQZGWBYAHXPH-ZUZCIYMTSA-N 0 3 295.766 2.888 50 0 CFAAHN CN(C)CCSCc1csc([C@H]2CCCO2)n1 ZINC000126767305 187261295 /nfs/dbraw/zinc/26/12/95/187261295.db2.gz WOXPUAKEMBDEAU-LLVKDONJSA-N 0 3 272.439 2.789 50 0 CFAAHN OC1(Cc2ccncc2)CCN(Cc2ccccc2)CC1 ZINC000075284208 347064236 /nfs/dbraw/zinc/06/42/36/347064236.db2.gz VIXWTUUVMRMMRD-UHFFFAOYSA-N 0 3 282.387 2.651 50 0 CFAAHN O[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc2cccnc21 ZINC000085334227 179022302 /nfs/dbraw/zinc/02/23/02/179022302.db2.gz HPZYSTOBOMZXPV-MJGOQNOKSA-N 0 3 290.366 2.983 50 0 CFAAHN Cc1ccc(OCCCCCN2CCN(C)CC2)cc1 ZINC000033560089 346311494 /nfs/dbraw/zinc/31/14/94/346311494.db2.gz BGMFYARWPJJYRL-UHFFFAOYSA-N 0 3 276.424 2.792 50 0 CFAAHN CCOc1ccc(NC(=O)OCCN(CC)CC)cc1 ZINC000038172058 346337713 /nfs/dbraw/zinc/33/77/13/346337713.db2.gz HZRIXBBLRVCLRB-UHFFFAOYSA-N 0 3 280.368 2.976 50 0 CFAAHN CN(CCN[C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000089745528 282478203 /nfs/dbraw/zinc/47/82/03/282478203.db2.gz ZKNZDURBRUGDQZ-MRXNPFEDSA-N 0 3 284.407 2.524 50 0 CFAAHN CC[C@@H](O)CN1CCSC[C@H]1c1ccccc1 ZINC000075746193 347096551 /nfs/dbraw/zinc/09/65/51/347096551.db2.gz AZAUWAXXWRYFKV-KGLIPLIRSA-N 0 3 251.395 2.547 50 0 CFAAHN CN(C)[C@H](CNc1ncccc1F)c1cccs1 ZINC000084482693 347464746 /nfs/dbraw/zinc/46/47/46/347464746.db2.gz KTTGBHVWJDYKFE-LLVKDONJSA-N 0 3 265.357 2.997 50 0 CFAAHN C[C@H](CNC(=O)[C@@H](C1CC1)N1CCCC1)c1ccsc1 ZINC000097376399 347709197 /nfs/dbraw/zinc/70/91/97/347709197.db2.gz RMEAXPWSZONHEV-IUODEOHRSA-N 0 3 292.448 2.842 50 0 CFAAHN COc1cccc([C@H](C)NCc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000170076535 348053333 /nfs/dbraw/zinc/05/33/33/348053333.db2.gz HOTMHMVGHHJXIY-NSHDSACASA-N 0 3 297.358 2.716 50 0 CFAAHN Cc1nc2ccccc2n1CCN[C@@H](CO)c1ccccc1 ZINC000170593119 348054976 /nfs/dbraw/zinc/05/49/76/348054976.db2.gz FHVRVJRDUPUABC-KRWDZBQOSA-N 0 3 295.386 2.668 50 0 CFAAHN CC(C)c1cc(CN2CCN[C@H](c3ccccc3)C2)on1 ZINC000230482172 348206159 /nfs/dbraw/zinc/20/61/59/348206159.db2.gz VMKDLEGOKWNFQD-KRWDZBQOSA-N 0 3 285.391 2.945 50 0 CFAAHN OC[C@@H]1CCC[C@H]1N[C@H](c1ccccc1)c1ccccn1 ZINC000253369360 348301001 /nfs/dbraw/zinc/30/10/01/348301001.db2.gz BNFVVQYIFPBQFA-LZLYRXPVSA-N 0 3 282.387 2.922 50 0 CFAAHN Cc1cccc2nc(CN[C@@H]3CCCSC3)cn21 ZINC000584892797 348729105 /nfs/dbraw/zinc/72/91/05/348729105.db2.gz OHSRDWLDZAAIRM-GFCCVEGCSA-N 0 3 261.394 2.628 50 0 CFAAHN CCO[C@@H](C)CN(C)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091350488 180137766 /nfs/dbraw/zinc/13/77/66/180137766.db2.gz WSFPALHCQNIBDS-ZDUSSCGKSA-N 0 3 288.391 2.693 50 0 CFAAHN CCCn1ncc(CN2CC[C@](C)(O)C(C)(C)C2)c1C ZINC000091808914 180260816 /nfs/dbraw/zinc/26/08/16/180260816.db2.gz ASHBXUPSZRIOSO-INIZCTEOSA-N 0 3 279.428 2.584 50 0 CFAAHN Cc1noc(C)c1CN1CCC[C@@](CO)(CC2CC2)C1 ZINC000091943581 180289872 /nfs/dbraw/zinc/28/98/72/180289872.db2.gz AMJCHNYVBVTHDK-MRXNPFEDSA-N 0 3 278.396 2.666 50 0 CFAAHN COc1ccc(CN[C@@H]2CCCC[C@@H]2O)c(Cl)c1OC ZINC000110823029 186327736 /nfs/dbraw/zinc/32/77/36/186327736.db2.gz OOTZMUBUJFVREM-NEPJUHHUSA-N 0 3 299.798 2.750 50 0 CFAAHN COc1c(N)ccnc1-c1cccc2cnccc21 ZINC000216150732 539970165 /nfs/dbraw/zinc/97/01/65/539970165.db2.gz LAWXEAWQDWRKTG-UHFFFAOYSA-N 0 3 251.289 2.888 50 0 CFAAHN CS(=O)(=O)C[C@@H](NC[C@@H]1CC=CCC1)c1ccccc1 ZINC000154985473 188174613 /nfs/dbraw/zinc/17/46/13/188174613.db2.gz NPJAJWOHLWIAHT-GDBMZVCRSA-N 0 3 293.432 2.718 50 0 CFAAHN CN1CCC[C@@H]1CCSc1nnc(C2CC2)s1 ZINC000083877919 540187549 /nfs/dbraw/zinc/18/75/49/540187549.db2.gz HLPQTKKNRSIZDY-SNVBAGLBSA-N 0 3 269.439 2.992 50 0 CFAAHN COC1(CN[C@H](C)c2ccsc2)CCOCC1 ZINC000090653218 540373465 /nfs/dbraw/zinc/37/34/65/540373465.db2.gz ALMADHRDWGBUOZ-LLVKDONJSA-N 0 3 255.383 2.594 50 0 CFAAHN C[C@H]1Cc2ccc(CN)cc2N1C(=O)c1ccccc1 ZINC000045796031 291163560 /nfs/dbraw/zinc/16/35/60/291163560.db2.gz XXQFBERZRZQVNA-LBPRGKRZSA-N 0 3 266.344 2.737 50 0 CFAAHN CNCc1cccc(NC(=O)C[C@@H]2CSCCS2)c1 ZINC000296829280 200009046 /nfs/dbraw/zinc/00/90/46/200009046.db2.gz BABQHWBHQNDSLL-CYBMUJFWSA-N 0 3 296.461 2.583 50 0 CFAAHN Cc1cnc(C)c(NC[C@H](c2cccc(F)c2)N(C)C)n1 ZINC000169968002 540549837 /nfs/dbraw/zinc/54/98/37/540549837.db2.gz JQMYNXXJBURUIR-OAHLLOKOSA-N 0 3 288.370 2.947 50 0 CFAAHN COc1cccc([C@H]2CCCN2Cc2cnc[nH]2)c1 ZINC000179885630 189225758 /nfs/dbraw/zinc/22/57/58/189225758.db2.gz JGBVKPKYONOOJX-OAHLLOKOSA-N 0 3 257.337 2.755 50 0 CFAAHN Cc1ccc(-n2ncnc2C[C@@H]2CCCCN2C)cc1 ZINC000670439308 540994378 /nfs/dbraw/zinc/99/43/78/540994378.db2.gz SRELJGORUIKMCB-HNNXBMFYSA-N 0 3 270.380 2.603 50 0 CFAAHN CCOC1CCN([C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000670458910 541002557 /nfs/dbraw/zinc/00/25/57/541002557.db2.gz UUGJFBUPSSHXQL-INIZCTEOSA-N 0 3 292.398 2.905 50 0 CFAAHN Cc1nncn1CCN1CCC[C@@H](c2cccc(C)c2)C1 ZINC000670455272 541000921 /nfs/dbraw/zinc/00/09/21/541000921.db2.gz MGPLORUSTVTQAH-QGZVFWFLSA-N 0 3 284.407 2.775 50 0 CFAAHN CN(Cc1cc2ccccc2[nH]1)CC1(CO)CCC1 ZINC000670454871 541000982 /nfs/dbraw/zinc/00/09/82/541000982.db2.gz IRDMMKYYYZPSTA-UHFFFAOYSA-N 0 3 258.365 2.762 50 0 CFAAHN CCCN1CCC[C@H](Nc2nnc(C(C)C)s2)C1 ZINC000670426625 540989653 /nfs/dbraw/zinc/98/96/53/540989653.db2.gz YSEIKHYOYVRGSB-NSHDSACASA-N 0 3 268.430 2.948 50 0 CFAAHN Cc1nc(CN[C@@H](CCO)C(C)(C)C)sc1C ZINC000183681284 189365612 /nfs/dbraw/zinc/36/56/12/189365612.db2.gz RCEDIJAHJSRQTK-NSHDSACASA-N 0 3 256.415 2.647 50 0 CFAAHN CCc1ccc2[nH]c(C(=O)NCCN3CCCCC3)cc2c1 ZINC000000171607 371547577 /nfs/dbraw/zinc/54/75/77/371547577.db2.gz MCEMVGUAWZFYIO-UHFFFAOYSA-N 0 3 299.418 2.946 50 0 CFAAHN COc1ccc([C@H]2OC[C@@H](CN3CCCCC3)O2)cc1 ZINC000000187155 371553371 /nfs/dbraw/zinc/55/33/71/371553371.db2.gz ADGBENJAAOINKA-CVEARBPZSA-N 0 3 277.364 2.595 50 0 CFAAHN CN(C)CCC(O)(c1ccccc1)c1ccccc1 ZINC000000189717 371554257 /nfs/dbraw/zinc/55/42/57/371554257.db2.gz MUMQBHMGYFNLPO-UHFFFAOYSA-N 0 3 255.361 2.874 50 0 CFAAHN COc1ccc(CC[C@H]2NCCn3cccc32)cc1OC ZINC000000214203 371560508 /nfs/dbraw/zinc/56/05/08/371560508.db2.gz NJRYNDBBAVJNQY-CQSZACIVSA-N 0 3 286.375 2.782 50 0 CFAAHN C[C@H](CN1CCCCC1)OC(=O)COc1ccc(F)cc1 ZINC000000249849 371570465 /nfs/dbraw/zinc/57/04/65/371570465.db2.gz UYXWPHIFLIFNDH-CYBMUJFWSA-N 0 3 295.354 2.622 50 0 CFAAHN CC(C)CN[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000000342305 371591320 /nfs/dbraw/zinc/59/13/20/371591320.db2.gz FOUVEFZJBORYFX-OAHLLOKOSA-N 0 3 288.391 2.688 50 0 CFAAHN O=C(CN1CCCCC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000000491143 371630298 /nfs/dbraw/zinc/63/02/98/371630298.db2.gz UCMSWPOWKRPXIV-UHFFFAOYSA-N 0 3 297.402 2.539 50 0 CFAAHN CCN(C)C(=O)Oc1cccc([C@@H](C)N(C)C)c1 ZINC000000967938 371655014 /nfs/dbraw/zinc/65/50/14/371655014.db2.gz XSVMFMHYUFZWBK-LLVKDONJSA-N 0 3 250.342 2.760 50 0 in-vitro CFAAHN CCOCCN1CC[C@@H](OC(=O)c2ccccc2)[C@H](C)C1 ZINC000001876880 371710562 /nfs/dbraw/zinc/71/05/62/371710562.db2.gz WMAVWZGHPBTWHI-GDBMZVCRSA-N 0 3 291.391 2.590 50 0 CFAAHN COc1ccc(OCCNCc2ccccc2)cc1 ZINC000002555590 371736271 /nfs/dbraw/zinc/73/62/71/371736271.db2.gz PQXVVWVAONGGBU-UHFFFAOYSA-N 0 3 257.333 2.864 50 0 CFAAHN Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000002696092 371746844 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372527039 /nfs/dbraw/zinc/52/70/39/372527039.db2.gz ISLCKOUDKRMBED-SNVBAGLBSA-N 0 3 282.334 2.626 50 0 CFAAHN Cc1ccc([C@@H](CNC(=O)C(C)(C)C)N(C)C)cc1 ZINC000036091069 372556260 /nfs/dbraw/zinc/55/62/60/372556260.db2.gz LVBJHNQAFTVHOR-CQSZACIVSA-N 0 3 262.397 2.760 50 0 CFAAHN CCCN(Cc1ccco1)C[C@@H](O)COCc1ccco1 ZINC000036096504 372557935 /nfs/dbraw/zinc/55/79/35/372557935.db2.gz UHROGBPJPVOWDD-CQSZACIVSA-N 0 3 293.363 2.662 50 0 CFAAHN CCCN(Cc1ccc(C)o1)C[C@@H](O)COC(C)(C)C ZINC000036097898 372559000 /nfs/dbraw/zinc/55/90/00/372559000.db2.gz CGRWRZXDDBJZEC-CQSZACIVSA-N 0 3 283.412 2.976 50 0 CFAAHN Cc1ccc(CN(C[C@@H](O)COCC(C)C)C(C)C)o1 ZINC000036097717 372559303 /nfs/dbraw/zinc/55/93/03/372559303.db2.gz XGMJGROMQXELBE-OAHLLOKOSA-N 0 3 283.412 2.832 50 0 CFAAHN CCCN(CCC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000036744598 372589140 /nfs/dbraw/zinc/58/91/40/372589140.db2.gz DBFXLOMVRWMLNS-UHFFFAOYSA-N 0 3 292.379 2.518 50 0 CFAAHN CC[C@@H](N)C(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000037004740 372627867 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50 0 CFAAHN CC[C@H]1CCCCN1Cc1cc(C(N)=O)cs1 ZINC000157466239 650216935 /nfs/dbraw/zinc/21/69/35/650216935.db2.gz KVUBEARSKZYMQX-NSHDSACASA-N 0 3 252.383 2.612 50 0 CFAAHN CC[C@@H]1CCCCN1Cc1cc(C(N)=O)cs1 ZINC000157466085 650216970 /nfs/dbraw/zinc/21/69/70/650216970.db2.gz KVUBEARSKZYMQX-LLVKDONJSA-N 0 3 252.383 2.612 50 0 CFAAHN CN(C)c1ccncc1CNCc1ccc(C(C)(C)O)cc1 ZINC000187504307 649820248 /nfs/dbraw/zinc/82/02/48/649820248.db2.gz YMEWCYHQSLJZBM-UHFFFAOYSA-N 0 3 299.418 2.665 50 0 CFAAHN CCc1nc(C)c(CN2CC[C@@](O)(c3ccccc3)C2)o1 ZINC000020202747 651297074 /nfs/dbraw/zinc/29/70/74/651297074.db2.gz DOOJWWHUCSJLRY-KRWDZBQOSA-N 0 3 286.375 2.639 50 0 CFAAHN CC(C)c1noc(C2CCN([C@@H]3CCSC3)CC2)n1 ZINC000822281426 781896544 /nfs/dbraw/zinc/89/65/44/781896544.db2.gz NRQCHKWOKHZVGA-GFCCVEGCSA-N 0 3 281.425 2.878 50 0 CFAAHN Cc1ncccc1CNC[C@@H]1COC2(CCCCC2)O1 ZINC000096494213 230383503 /nfs/dbraw/zinc/38/35/03/230383503.db2.gz SSQAWBSXAJRFDP-OAHLLOKOSA-N 0 3 276.380 2.555 50 0 CFAAHN Cc1ncccc1CNC[C@H]1COC2(CCCCC2)O1 ZINC000096494214 230383545 /nfs/dbraw/zinc/38/35/45/230383545.db2.gz SSQAWBSXAJRFDP-HNNXBMFYSA-N 0 3 276.380 2.555 50 0 CFAAHN COC(CCN1CCC(C(=O)c2ccccc2)CC1)OC ZINC000408525526 230406255 /nfs/dbraw/zinc/40/62/55/230406255.db2.gz REZJNPOXCNMXPN-UHFFFAOYSA-N 0 3 291.391 2.590 50 0 CFAAHN CN(C)CCNc1nc(C(F)(F)F)nc2ccsc21 ZINC000095948982 185039240 /nfs/dbraw/zinc/03/92/40/185039240.db2.gz KHMDSHRQDKINMW-UHFFFAOYSA-N 0 3 290.314 2.684 50 0 CFAAHN CCOC(CN(C)Cc1ccc(C)cc1)OCC ZINC000095950844 185039356 /nfs/dbraw/zinc/03/93/56/185039356.db2.gz TXVCGOSBLDYJTO-UHFFFAOYSA-N 0 3 251.370 2.826 50 0 CFAAHN CC[C@@H](N)C(=O)N(Cc1ccccc1)c1ccc(OC)cc1 ZINC000095970969 185048307 /nfs/dbraw/zinc/04/83/07/185048307.db2.gz VJLCCFFALSUKQE-QGZVFWFLSA-N 0 3 298.386 2.966 50 0 CFAAHN CC[C@H](N)C(=O)N(Cc1ccccc1)c1ccc(OC)cc1 ZINC000095970968 185048838 /nfs/dbraw/zinc/04/88/38/185048838.db2.gz VJLCCFFALSUKQE-KRWDZBQOSA-N 0 3 298.386 2.966 50 0 CFAAHN Cc1ccc(CN(C)C(=O)[C@@H](N)Cc2ccccc2)s1 ZINC000095971112 185048992 /nfs/dbraw/zinc/04/89/92/185048992.db2.gz NOFJWMKVPFDMQY-HNNXBMFYSA-N 0 3 288.416 2.585 50 0 CFAAHN Cc1cc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)ccc1O ZINC000095979206 185053140 /nfs/dbraw/zinc/05/31/40/185053140.db2.gz UDHINFXEVWTDMG-FRRDWIJNSA-N 0 3 276.380 2.900 50 0 CFAAHN C[C@@H](c1ccccn1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000095981720 185053850 /nfs/dbraw/zinc/05/38/50/185053850.db2.gz WPCIPBUKEPRQOK-YCPHGPKFSA-N 0 3 270.380 2.922 50 0 CFAAHN Cc1cnccc1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000095981987 185054051 /nfs/dbraw/zinc/05/40/51/185054051.db2.gz CQBLWICPMUTSHA-UHFFFAOYSA-N 0 3 298.390 2.773 50 0 CFAAHN Cn1ccc(CNCc2c(C3CC3)nc3sccn23)c1 ZINC000095984294 185055290 /nfs/dbraw/zinc/05/52/90/185055290.db2.gz MEKMIDKXBCJRDE-UHFFFAOYSA-N 0 3 286.404 2.902 50 0 CFAAHN CCN(C)[C@H](C)C(=O)NCC1(CC(C)C)CCC1 ZINC000823061387 781919709 /nfs/dbraw/zinc/91/97/09/781919709.db2.gz ZYMBBQFYHLHJIB-CYBMUJFWSA-N 0 3 254.418 2.659 50 0 CFAAHN Cc1c(CN[C@H](C)[C@@H](C)Oc2ccccc2F)cnn1C ZINC000097021688 185154292 /nfs/dbraw/zinc/15/42/92/185154292.db2.gz UCHVMQJJVVYOMW-DGCLKSJQSA-N 0 3 291.370 2.813 50 0 CFAAHN COc1ccc(OC)c([C@H](C)NC[C@@H]2CC[C@@H](C)O2)c1 ZINC000128053253 187348633 /nfs/dbraw/zinc/34/86/33/187348633.db2.gz DJTALOJVMYTTGH-DYEKYZERSA-N 0 3 279.380 2.922 50 0 CFAAHN CCN(CCO)Cc1cc2cc(F)ccc2s1 ZINC000075259811 347061966 /nfs/dbraw/zinc/06/19/66/347061966.db2.gz NECXAXPXOSTBOF-UHFFFAOYSA-N 0 3 253.342 2.855 50 0 CFAAHN CN(Cc1cnc(-c2ccccc2)s1)[C@@H]1CCN(C)C1 ZINC000222883853 530015589 /nfs/dbraw/zinc/01/55/89/530015589.db2.gz HMWWZBHSSBOAOX-CQSZACIVSA-N 0 3 287.432 2.946 50 0 CFAAHN C[C@H](c1ccccc1Cl)N(C)C(=O)[C@]1(F)CCNC1 ZINC000299740454 539512336 /nfs/dbraw/zinc/51/23/36/539512336.db2.gz ZZCCDGAYMGUORZ-YGRLFVJLSA-N 0 3 284.762 2.561 50 0 CFAAHN C[C@@H](O)CN(Cc1ccc(-c2ccccc2)cc1)C[C@H](C)O ZINC000000757507 346205754 /nfs/dbraw/zinc/20/57/54/346205754.db2.gz CWKXWTATDWYAMJ-IYBDPMFKSA-N 0 3 299.414 2.917 50 0 CFAAHN CCN(CC)CCOC(=O)COc1ccc(Cl)cc1 ZINC000002038014 346207243 /nfs/dbraw/zinc/20/72/43/346207243.db2.gz PUGZUYUBEFEQKB-UHFFFAOYSA-N 0 3 285.771 2.604 50 0 CFAAHN O[C@H]1Cc2ccccc2[C@H]1NCc1cccc2[nH]ccc21 ZINC000085334117 179022406 /nfs/dbraw/zinc/02/24/06/179022406.db2.gz VQIJJKBMLXCPQA-ZWKOTPCHSA-N 0 3 278.355 2.916 50 0 CFAAHN Cc1nc(CSc2ccncc2)n(-c2ccnc(C)c2)n1 ZINC000097785414 185668034 /nfs/dbraw/zinc/66/80/34/185668034.db2.gz NGJOTIYTRLYZSP-UHFFFAOYSA-N 0 3 297.387 2.966 50 0 CFAAHN Cc1n[nH]c(C)c1CNCc1cccc(Cn2ccnc2)c1 ZINC000065474701 346735219 /nfs/dbraw/zinc/73/52/19/346735219.db2.gz ARLKQTFIRRHPCF-UHFFFAOYSA-N 0 3 295.390 2.561 50 0 CFAAHN c1cnc(NCCNCc2ccc3ccccc3c2)nc1 ZINC000067255995 346796347 /nfs/dbraw/zinc/79/63/47/346796347.db2.gz NHUVFWFOILZMDR-UHFFFAOYSA-N 0 3 278.359 2.832 50 0 CFAAHN CN(Cc1ccno1)C1CCN(c2ccc(F)cc2)CC1 ZINC000076091374 347119134 /nfs/dbraw/zinc/11/91/34/347119134.db2.gz WUOHWHWNQZYRIA-UHFFFAOYSA-N 0 3 289.354 2.915 50 0 CFAAHN C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccccc1F ZINC000078898067 347278726 /nfs/dbraw/zinc/27/87/26/347278726.db2.gz LFZHONMTKYDHNR-BLLLJJGKSA-N 0 3 290.382 2.562 50 0 CFAAHN c1ccc([C@H]2OCC[C@H]2NCc2ccccn2)cc1 ZINC000078988876 347283766 /nfs/dbraw/zinc/28/37/66/347283766.db2.gz QQECAZHKOLFYEN-HZPDHXFCSA-N 0 3 254.333 2.701 50 0 CFAAHN CN(Cc1ccc2c(c1)CCC2)C1CCS(=O)CC1 ZINC000079463402 347305831 /nfs/dbraw/zinc/30/58/31/347305831.db2.gz LTUSTRIXNNOXGB-UHFFFAOYSA-N 0 3 277.433 2.518 50 0 CFAAHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(C)s1)CC2 ZINC000093613461 347680352 /nfs/dbraw/zinc/68/03/52/347680352.db2.gz VMPAYBWKKNSWLH-LSDHHAIUSA-N 0 3 295.448 2.808 50 0 CFAAHN CC(C)C(=O)O[C@]1(c2ccccc2)CCN(C)[C@@H]1C ZINC000095882819 347699124 /nfs/dbraw/zinc/69/91/24/347699124.db2.gz PNEKCZNQOVAYFM-CZUORRHYSA-N 0 3 261.365 2.805 50 0 CFAAHN O[C@@H](CN1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000097200608 347706724 /nfs/dbraw/zinc/70/67/24/347706724.db2.gz JNOIPYNYOJXYSP-WBVHZDCISA-N 0 3 297.402 2.549 50 0 CFAAHN FC(F)COc1ncccc1CN[C@@H]1CCCSC1 ZINC000097370941 347708586 /nfs/dbraw/zinc/70/85/86/347708586.db2.gz DWODTGVIVGEYLF-LLVKDONJSA-N 0 3 288.363 2.711 50 0 CFAAHN CN(C[C@@H]1CCCCO1)[C@H](CCO)c1ccccc1 ZINC000110641515 347749086 /nfs/dbraw/zinc/74/90/86/347749086.db2.gz GFANMBXRTJCASX-JKSUJKDBSA-N 0 3 263.381 2.611 50 0 CFAAHN CC[C@H](NC(=O)CNC)c1ccc(OC2CCCC2)cc1 ZINC000157315716 347999911 /nfs/dbraw/zinc/99/99/11/347999911.db2.gz NQAKQIVBRHUQBK-INIZCTEOSA-N 0 3 290.407 2.795 50 0 CFAAHN COc1cccc2[nH]cc(CCN[C@H](C)c3nccn3C)c21 ZINC000170593088 348054827 /nfs/dbraw/zinc/05/48/27/348054827.db2.gz JKZRXXREBHXWFZ-GFCCVEGCSA-N 0 3 298.390 2.803 50 0 CFAAHN CC(=O)N1CCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000170598196 348055771 /nfs/dbraw/zinc/05/57/71/348055771.db2.gz DFPZNLVHLIGIRU-GOSISDBHSA-N 0 3 286.419 2.910 50 0 CFAAHN O[C@@H]1CCC[C@@H]1CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000195557663 348146202 /nfs/dbraw/zinc/14/62/02/348146202.db2.gz PTSJXVSVXNLZIF-KCPJHIHWSA-N 0 3 279.355 2.790 50 0 CFAAHN C[C@H](CCN[C@H]1CCCOc2cc(F)ccc21)[S@](C)=O ZINC000215641564 348163032 /nfs/dbraw/zinc/16/30/32/348163032.db2.gz AHSZKZKCHCOLFP-FYYVMTAXSA-N 0 3 299.411 2.786 50 0 CFAAHN Cc1cc(CNC2CSCCSC2)cnc1C ZINC000584892499 348728929 /nfs/dbraw/zinc/72/89/29/348728929.db2.gz OEYZZHLXKOICKC-UHFFFAOYSA-N 0 3 268.451 2.637 50 0 CFAAHN C[C@@H](C(=O)N(C)Cc1cnc2ccccc2c1)N1CCCC1 ZINC000584891174 348729071 /nfs/dbraw/zinc/72/90/71/348729071.db2.gz AHCSPOIYQOWFBK-AWEZNQCLSA-N 0 3 297.402 2.678 50 0 CFAAHN CCCCc1nc(CN2[C@@H]3CC[C@H]2C[C@@H](OC)C3)c[nH]1 ZINC000584893803 348730282 /nfs/dbraw/zinc/73/02/82/348730282.db2.gz AFTGEEVEJJAEJT-FICVDOATSA-N 0 3 277.412 2.894 50 0 CFAAHN CCCCc1ncc(CN2[C@@H]3CC[C@H]2C[C@@H](OC)C3)[nH]1 ZINC000584893803 348730286 /nfs/dbraw/zinc/73/02/86/348730286.db2.gz AFTGEEVEJJAEJT-FICVDOATSA-N 0 3 277.412 2.894 50 0 CFAAHN CN1CCC(N(C(=O)C2CC2)c2cccc(F)c2)CC1 ZINC000078996597 539692227 /nfs/dbraw/zinc/69/22/27/539692227.db2.gz RIISQCFPLXCWAS-UHFFFAOYSA-N 0 3 276.355 2.663 50 0 CFAAHN c1ccc(CN2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)cc1 ZINC000091289263 180122097 /nfs/dbraw/zinc/12/20/97/180122097.db2.gz UZGKUUSGTICBII-IAGOWNOFSA-N 0 3 294.402 2.577 50 0 CFAAHN Fc1ccc([C@@H](CNc2ccncn2)N2CCCC2)cc1 ZINC000091452191 180158597 /nfs/dbraw/zinc/15/85/97/180158597.db2.gz JYOQDVNLHMRFIC-OAHLLOKOSA-N 0 3 286.354 2.865 50 0 CFAAHN Cc1ncnc(NCCN2CC[C@@H](c3ccccc3)C2)c1C ZINC000091587013 180200388 /nfs/dbraw/zinc/20/03/88/180200388.db2.gz ASQSCOJTYGRRNG-QGZVFWFLSA-N 0 3 296.418 2.995 50 0 CFAAHN COc1cccc(OCCN2CC[C@](C)(O)C(C)(C)C2)c1 ZINC000091587183 180200624 /nfs/dbraw/zinc/20/06/24/180200624.db2.gz QCOOWHHSZKRMDG-KRWDZBQOSA-N 0 3 293.407 2.557 50 0 CFAAHN OCc1cccc(C[C@@H]2CCN(Cc3cccnc3)C2)c1 ZINC000091665763 180222615 /nfs/dbraw/zinc/22/26/15/180222615.db2.gz LOPIGOYPJRIOKD-INIZCTEOSA-N 0 3 282.387 2.639 50 0 CFAAHN COCC[C@@]1(CO)CCCN(C/C(C)=C/c2ccco2)C1 ZINC000091694523 180228599 /nfs/dbraw/zinc/22/85/99/180228599.db2.gz SZVUSFJAWLBUAG-JMPLCFMRSA-N 0 3 293.407 2.794 50 0 CFAAHN COCC[C@]1(CO)CCCN(C/C(C)=C/c2ccco2)C1 ZINC000091694525 180228607 /nfs/dbraw/zinc/22/86/07/180228607.db2.gz SZVUSFJAWLBUAG-GSPCDJLXSA-N 0 3 293.407 2.794 50 0 CFAAHN CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091770597 180249490 /nfs/dbraw/zinc/24/94/90/180249490.db2.gz ZTBZOZNWRJPJMM-QGZVFWFLSA-N 0 3 298.430 2.877 50 0 CFAAHN O=C(C1CC1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000091736875 180243741 /nfs/dbraw/zinc/24/37/41/180243741.db2.gz PLDDBRSGXQFOOQ-NVXWUHKLSA-N 0 3 284.403 2.519 50 0 CFAAHN CCCc1nc(C)c(CNc2cc(C)nc(N)n2)s1 ZINC000091819417 180262807 /nfs/dbraw/zinc/26/28/07/180262807.db2.gz OLHQKHWKBJFUDR-UHFFFAOYSA-N 0 3 277.397 2.697 50 0 CFAAHN Cc1cc(NCc2ccc(F)cc2Cl)nc(N)n1 ZINC000091943308 180290282 /nfs/dbraw/zinc/29/02/82/180290282.db2.gz DXSINRRGTSPNDP-UHFFFAOYSA-N 0 3 266.707 2.772 50 0 CFAAHN Cc1nc(N)cc(NCC2(COc3ccccc3)CC2)n1 ZINC000092001644 180303841 /nfs/dbraw/zinc/30/38/41/180303841.db2.gz HDVWRVRKQNETGO-UHFFFAOYSA-N 0 3 284.363 2.638 50 0 CFAAHN 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/nfs/dbraw/zinc/76/92/55/382769255.db2.gz MKGFPFLHOCBDIP-AAEUAGOBSA-N 0 3 255.383 2.594 50 0 CFAAHN CC[C@H](NC(=O)CN1CCCCCCC1)c1ccncc1 ZINC000219614894 382794560 /nfs/dbraw/zinc/79/45/60/382794560.db2.gz JZFUBLDEJQTITQ-INIZCTEOSA-N 0 3 289.423 2.915 50 0 CFAAHN CCOc1ccc(-c2ccc(CN3CC[C@@H](O)C3)o2)cc1 ZINC000215043893 382777451 /nfs/dbraw/zinc/77/74/51/382777451.db2.gz IXMXZFONSQBTLA-CQSZACIVSA-N 0 3 287.359 2.912 50 0 CFAAHN COc1cc(OC)c(CN(C)C2CCOCC2)cc1Cl ZINC000215685370 382780096 /nfs/dbraw/zinc/78/00/96/382780096.db2.gz DPABUIUXKIEEJW-UHFFFAOYSA-N 0 3 299.798 2.968 50 0 CFAAHN COC[C@H]1CCN(Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000215884883 382780904 /nfs/dbraw/zinc/78/09/04/382780904.db2.gz JHZWHZASAOHYGZ-HNNXBMFYSA-N 0 3 297.402 2.920 50 0 CFAAHN COc1cccc2c1CCC[C@H]2N[C@H](CCO)CSC ZINC000194899145 382757240 /nfs/dbraw/zinc/75/72/40/382757240.db2.gz SFGJFOLMASOFCV-IUODEOHRSA-N 0 3 295.448 2.776 50 0 CFAAHN C/C(=C/c1ccccc1)CN1CCC(C(=O)N(C)C)CC1 ZINC000221698659 382799398 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