smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(F)c1cccc(CN2CCCCC2)c1 ZINC000000002941 384068011 /nfs/dbraw/zinc/06/80/11/384068011.db2.gz ZSYUBOIZBFBECS-UHFFFAOYSA-N 0 1 243.272 3.691 20 0 BHADMN c1ccc2c(c1)CN(c1ccnc3ccccc31)C2 ZINC000000026872 398277277 /nfs/dbraw/zinc/27/72/77/398277277.db2.gz SPSXCZMMEURJOF-UHFFFAOYSA-N 0 1 246.313 3.755 20 0 BHADMN Cc1ccc2nc(-c3cccs3)[nH]c2c1C ZINC000000092191 188158600 /nfs/dbraw/zinc/15/86/00/188158600.db2.gz HEOSNCWWWFXGHS-UHFFFAOYSA-N 0 1 228.320 3.908 20 0 BHADMN Cc1ccc2nc(-c3ccsc3)[nH]c2c1C ZINC000000092198 188158911 /nfs/dbraw/zinc/15/89/11/188158911.db2.gz JEVDKQBZSYETET-UHFFFAOYSA-N 0 1 228.320 3.908 20 0 BHADMN Cc1cc(C)c(-c2csc([C@H](C)N)n2)c(C)c1 ZINC000003708727 385927363 /nfs/dbraw/zinc/92/73/63/385927363.db2.gz DQIYVCSGGSDUKL-NSHDSACASA-N 0 1 246.379 3.755 20 0 BHADMN CC(C)c1ccc(-c2csc([C@H](C)N)n2)cc1 ZINC000003708729 350122664 /nfs/dbraw/zinc/12/26/64/350122664.db2.gz NELLUNSJRMSSEG-JTQLQIEISA-N 0 1 246.379 3.953 20 0 BHADMN Cc1cc(C)c(-c2csc([C@H](C)N)n2)cc1C ZINC000003708741 385926637 /nfs/dbraw/zinc/92/66/37/385926637.db2.gz NVXFPPXKWKMCSH-NSHDSACASA-N 0 1 246.379 3.755 20 0 BHADMN CCCc1ccc(-c2csc([C@H](C)N)n2)cc1 ZINC000003708745 356042603 /nfs/dbraw/zinc/04/26/03/356042603.db2.gz VMFOMGIGGBWGMC-JTQLQIEISA-N 0 1 246.379 3.782 20 0 BHADMN Cc1ccc2nc(SCC(C)C)[nH]c2c1 ZINC000005818412 324117789 /nfs/dbraw/zinc/11/77/89/324117789.db2.gz SOWZMQTYQOFRLW-UHFFFAOYSA-N 0 1 220.341 3.619 20 0 BHADMN CCN1Cc2ccccc2-c2ccccc2C1 ZINC000005852095 170040858 /nfs/dbraw/zinc/04/08/58/170040858.db2.gz VJPKSUBNLIXKJK-UHFFFAOYSA-N 0 1 223.319 3.689 20 0 BHADMN CCN(CC)Cc1ccc(Cl)cc1Cl ZINC000006139191 350204722 /nfs/dbraw/zinc/20/47/22/350204722.db2.gz MNCLQVKEKBMFDF-UHFFFAOYSA-N 0 1 232.154 3.835 20 0 BHADMN CC(C)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000006652929 360546090 /nfs/dbraw/zinc/54/60/90/360546090.db2.gz NWXVWYYMHBBKDN-UHFFFAOYSA-N 0 1 240.759 3.964 20 0 BHADMN Cc1cc(C[N@H+](C)Cc2ccccc2)cs1 ZINC000006895137 388529620 /nfs/dbraw/zinc/52/96/20/388529620.db2.gz LQXXPHWJLPHITG-UHFFFAOYSA-N 0 1 231.364 3.689 20 0 BHADMN CC(C)=CCSc1nc(-c2ccccc2)n[nH]1 ZINC000007472934 357078537 /nfs/dbraw/zinc/07/85/37/357078537.db2.gz IEIBKZAEJQRPHD-UHFFFAOYSA-N 0 1 245.351 3.530 20 0 BHADMN C(=NNc1ccccn1)c1ccc2ccccc2c1 ZINC000008036143 636641753 /nfs/dbraw/zinc/64/17/53/636641753.db2.gz GWRISJQXKUZLKK-UHFFFAOYSA-N 0 1 247.301 3.681 20 0 BHADMN CCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000014130022 169342018 /nfs/dbraw/zinc/34/20/18/169342018.db2.gz RFHJMELSWOGYGU-UHFFFAOYSA-N 0 1 226.732 3.718 20 0 BHADMN CC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000014193582 342878074 /nfs/dbraw/zinc/87/80/74/342878074.db2.gz GKCAUPDQYQPFQR-UHFFFAOYSA-N 0 1 241.737 3.711 20 0 BHADMN CC1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000014193584 386584609 /nfs/dbraw/zinc/58/46/09/386584609.db2.gz MAOXVTXEAWIKPJ-UHFFFAOYSA-N 0 1 241.737 3.711 20 0 BHADMN C[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000014193641 344446601 /nfs/dbraw/zinc/44/66/01/344446601.db2.gz ZFNJKLARVIRLAJ-SNVBAGLBSA-N 0 1 241.737 3.711 20 0 BHADMN C[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000014193642 344446694 /nfs/dbraw/zinc/44/66/94/344446694.db2.gz ZFNJKLARVIRLAJ-JTQLQIEISA-N 0 1 241.737 3.711 20 0 BHADMN C[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000014193647 344446477 /nfs/dbraw/zinc/44/64/77/344446477.db2.gz ARAJEEIXADICLN-SNVBAGLBSA-N 0 1 241.737 3.711 20 0 BHADMN C[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000014193648 344446644 /nfs/dbraw/zinc/44/66/44/344446644.db2.gz ARAJEEIXADICLN-JTQLQIEISA-N 0 1 241.737 3.711 20 0 BHADMN C[C@@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000014193780 344446972 /nfs/dbraw/zinc/44/69/72/344446972.db2.gz IINHFDVYXCUTOB-SNVBAGLBSA-N 0 1 241.737 3.854 20 0 BHADMN C[C@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000014193781 344447144 /nfs/dbraw/zinc/44/71/44/344447144.db2.gz IINHFDVYXCUTOB-JTQLQIEISA-N 0 1 241.737 3.854 20 0 BHADMN C[C@@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC000014193784 344447011 /nfs/dbraw/zinc/44/70/11/344447011.db2.gz JPURIZFYBCRRSC-SNVBAGLBSA-N 0 1 241.737 3.854 20 0 BHADMN C[C@H]1CCCCN1Cc1ccc(F)cc1Cl ZINC000014193785 344447002 /nfs/dbraw/zinc/44/70/02/344447002.db2.gz JPURIZFYBCRRSC-JTQLQIEISA-N 0 1 241.737 3.854 20 0 BHADMN Fc1cccc(Cl)c1CN1CCCCCC1 ZINC000014194666 386585032 /nfs/dbraw/zinc/58/50/32/386585032.db2.gz ILODZKCVABURMC-UHFFFAOYSA-N 0 1 241.737 3.855 20 0 BHADMN CCc1ccc([C@@H](C)NCc2ccco2)cc1 ZINC000019262977 384513271 /nfs/dbraw/zinc/51/32/71/384513271.db2.gz ZXFUMAIKGCBACB-GFCCVEGCSA-N 0 1 229.323 3.693 20 0 BHADMN CCc1ccc([C@H](C)NCc2ccco2)cc1 ZINC000019262979 384512811 /nfs/dbraw/zinc/51/28/11/384512811.db2.gz ZXFUMAIKGCBACB-LBPRGKRZSA-N 0 1 229.323 3.693 20 0 BHADMN Cc1ccc([C@@H](C)NCc2ccco2)s1 ZINC000019269508 384513014 /nfs/dbraw/zinc/51/30/14/384513014.db2.gz AHVRNPGOVTVUOK-SNVBAGLBSA-N 0 1 221.325 3.500 20 0 BHADMN Cc1ccc([C@H](C)NCc2ccco2)s1 ZINC000019269510 385184441 /nfs/dbraw/zinc/18/44/41/385184441.db2.gz AHVRNPGOVTVUOK-JTQLQIEISA-N 0 1 221.325 3.500 20 0 BHADMN Cc1ccc([C@@H](C)NCc2ccco2)cc1C ZINC000019386347 384518389 /nfs/dbraw/zinc/51/83/89/384518389.db2.gz LISXLJYNRNUINT-CYBMUJFWSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1ccc([C@H](C)NCc2ccco2)cc1C ZINC000019386349 384520599 /nfs/dbraw/zinc/52/05/99/384520599.db2.gz LISXLJYNRNUINT-ZDUSSCGKSA-N 0 1 229.323 3.747 20 0 BHADMN CSc1ccc([C@@H](C)NCc2ccco2)cc1 ZINC000019836349 342959031 /nfs/dbraw/zinc/95/90/31/342959031.db2.gz WVINLUWQDIMZAI-LLVKDONJSA-N 0 1 247.363 3.852 20 0 BHADMN CSc1ccc([C@H](C)NCc2ccco2)cc1 ZINC000019836351 490060109 /nfs/dbraw/zinc/06/01/09/490060109.db2.gz WVINLUWQDIMZAI-NSHDSACASA-N 0 1 247.363 3.852 20 0 BHADMN C[C@@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000019878028 385162744 /nfs/dbraw/zinc/16/27/44/385162744.db2.gz DJMRKFYLAOTNPB-LLVKDONJSA-N 0 1 247.288 3.816 20 0 BHADMN C[C@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000019878029 385161607 /nfs/dbraw/zinc/16/16/07/385161607.db2.gz DJMRKFYLAOTNPB-NSHDSACASA-N 0 1 247.288 3.816 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccco1)c1ccccc1 ZINC000019878348 342960784 /nfs/dbraw/zinc/96/07/84/342960784.db2.gz OHMWZHMQXKHZDA-NEPJUHHUSA-N 0 1 215.296 3.691 20 0 BHADMN C[C@H](N[C@@H](C)c1ccccc1)c1ccco1 ZINC000019878350 384548564 /nfs/dbraw/zinc/54/85/64/384548564.db2.gz OHMWZHMQXKHZDA-RYUDHWBXSA-N 0 1 215.296 3.691 20 0 BHADMN C[C@@H](N[C@H](C)c1ccccc1)c1ccco1 ZINC000019878352 342960786 /nfs/dbraw/zinc/96/07/86/342960786.db2.gz OHMWZHMQXKHZDA-VXGBXAGGSA-N 0 1 215.296 3.691 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccccc1)c1ccco1 ZINC000019878354 342960908 /nfs/dbraw/zinc/96/09/08/342960908.db2.gz OHMWZHMQXKHZDA-NWDGAFQWSA-N 0 1 215.296 3.691 20 0 BHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccccc2)o1 ZINC000019878380 384548107 /nfs/dbraw/zinc/54/81/07/384548107.db2.gz YDYDMDSHUFQSRH-OLZOCXBDSA-N 0 1 229.323 4.000 20 0 BHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccccc2)o1 ZINC000019878382 384548676 /nfs/dbraw/zinc/54/86/76/384548676.db2.gz YDYDMDSHUFQSRH-STQMWFEESA-N 0 1 229.323 4.000 20 0 BHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccccc2)o1 ZINC000019878384 384549587 /nfs/dbraw/zinc/54/95/87/384549587.db2.gz YDYDMDSHUFQSRH-CHWSQXEVSA-N 0 1 229.323 4.000 20 0 BHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccc2)o1 ZINC000019878386 384548229 /nfs/dbraw/zinc/54/82/29/384548229.db2.gz YDYDMDSHUFQSRH-QWHCGFSZSA-N 0 1 229.323 4.000 20 0 BHADMN C[C@@H](NCc1ccccc1)c1ccccc1F ZINC000019899509 347311491 /nfs/dbraw/zinc/31/14/91/347311491.db2.gz VLSSKTPJGBYLRU-GFCCVEGCSA-N 0 1 229.298 3.677 20 0 BHADMN C[C@H](NCc1ccccc1)c1ccccc1F ZINC000019899510 385187536 /nfs/dbraw/zinc/18/75/36/385187536.db2.gz VLSSKTPJGBYLRU-LBPRGKRZSA-N 0 1 229.298 3.677 20 0 BHADMN C[C@@H](NCc1ccccc1)c1ccc(F)cc1F ZINC000019899589 347311895 /nfs/dbraw/zinc/31/18/95/347311895.db2.gz SEGPRRCBENODEH-LLVKDONJSA-N 0 1 247.288 3.816 20 0 BHADMN C[C@H](NCc1ccccc1)c1ccc(F)cc1F ZINC000019899590 385191332 /nfs/dbraw/zinc/19/13/32/385191332.db2.gz SEGPRRCBENODEH-NSHDSACASA-N 0 1 247.288 3.816 20 0 BHADMN C[C@@H](NCc1ccccc1)c1cc(F)ccc1F ZINC000019899608 347311406 /nfs/dbraw/zinc/31/14/06/347311406.db2.gz BSHDVOAZUJOQBC-LLVKDONJSA-N 0 1 247.288 3.816 20 0 BHADMN C[C@H](NCc1ccccc1)c1cc(F)ccc1F ZINC000019899609 385190607 /nfs/dbraw/zinc/19/06/07/385190607.db2.gz BSHDVOAZUJOQBC-NSHDSACASA-N 0 1 247.288 3.816 20 0 BHADMN Fc1cccc(CNCc2ccccc2Cl)c1 ZINC000019908172 347312650 /nfs/dbraw/zinc/31/26/50/347312650.db2.gz ADOYCRWUUUAIHK-UHFFFAOYSA-N 0 1 249.716 3.769 20 0 BHADMN C[C@@H](NCc1ccccc1Cl)c1ccncc1 ZINC000019908219 356992205 /nfs/dbraw/zinc/99/22/05/356992205.db2.gz CRPYDMHYMOMQAI-LLVKDONJSA-N 0 1 246.741 3.586 20 0 BHADMN C[C@H](NCc1ccccc1Cl)c1ccncc1 ZINC000019908220 387063446 /nfs/dbraw/zinc/06/34/46/387063446.db2.gz CRPYDMHYMOMQAI-NSHDSACASA-N 0 1 246.741 3.586 20 0 BHADMN C[C@@H](NCc1ccc(F)cc1)c1ccccc1F ZINC000019943683 385226799 /nfs/dbraw/zinc/22/67/99/385226799.db2.gz WMKYPYDNOFSJKS-LLVKDONJSA-N 0 1 247.288 3.816 20 0 BHADMN C[C@H](NCc1ccc(F)cc1)c1ccccc1F ZINC000019943687 385224408 /nfs/dbraw/zinc/22/44/08/385224408.db2.gz WMKYPYDNOFSJKS-NSHDSACASA-N 0 1 247.288 3.816 20 0 BHADMN Cc1ccc([C@@H](C)NCc2ccc(F)cc2)o1 ZINC000019943762 384560423 /nfs/dbraw/zinc/56/04/23/384560423.db2.gz BEUSGQKEXIRBJK-LLVKDONJSA-N 0 1 233.286 3.578 20 0 BHADMN Cc1ccc([C@H](C)NCc2ccc(F)cc2)o1 ZINC000019943766 384559403 /nfs/dbraw/zinc/55/94/03/384559403.db2.gz BEUSGQKEXIRBJK-NSHDSACASA-N 0 1 233.286 3.578 20 0 BHADMN Cc1ccc(CNCc2ccccc2F)c(C)c1 ZINC000019949557 643047733 /nfs/dbraw/zinc/04/77/33/643047733.db2.gz IKVJEAFTFFMQHE-UHFFFAOYSA-N 0 1 243.325 3.732 20 0 BHADMN Fc1ccccc1CNCc1ccc(Cl)cc1 ZINC000019949587 181012426 /nfs/dbraw/zinc/01/24/26/181012426.db2.gz YKKSPIXBYGUZSX-UHFFFAOYSA-N 0 1 249.716 3.769 20 0 BHADMN CCc1ccc(CNCc2ccccc2F)cc1 ZINC000019949652 636353524 /nfs/dbraw/zinc/35/35/24/636353524.db2.gz MDOABZWWSYBXKV-UHFFFAOYSA-N 0 1 243.325 3.678 20 0 BHADMN Cc1ccc([C@@H](C)NCc2ccccc2F)cc1 ZINC000019949844 643049264 /nfs/dbraw/zinc/04/92/64/643049264.db2.gz QQCBVPMGKJYPKK-CYBMUJFWSA-N 0 1 243.325 3.985 20 0 BHADMN Cc1ccc([C@H](C)NCc2ccccc2F)cc1 ZINC000019949848 643048271 /nfs/dbraw/zinc/04/82/71/643048271.db2.gz QQCBVPMGKJYPKK-ZDUSSCGKSA-N 0 1 243.325 3.985 20 0 BHADMN C[C@@H](NCc1ccccc1F)c1cccs1 ZINC000019949971 350882428 /nfs/dbraw/zinc/88/24/28/350882428.db2.gz VQYAVAWCODWSGI-SNVBAGLBSA-N 0 1 235.327 3.738 20 0 BHADMN C[C@H](NCc1ccccc1F)c1cccs1 ZINC000019949975 385601822 /nfs/dbraw/zinc/60/18/22/385601822.db2.gz VQYAVAWCODWSGI-JTQLQIEISA-N 0 1 235.327 3.738 20 0 BHADMN C[C@@H](NCc1ccccc1F)c1ccc(F)cc1 ZINC000019950004 347327662 /nfs/dbraw/zinc/32/76/62/347327662.db2.gz WIAZOFJOGSPRIJ-LLVKDONJSA-N 0 1 247.288 3.816 20 0 BHADMN C[C@H](NCc1ccccc1F)c1ccc(F)cc1 ZINC000019950008 385230419 /nfs/dbraw/zinc/23/04/19/385230419.db2.gz WIAZOFJOGSPRIJ-NSHDSACASA-N 0 1 247.288 3.816 20 0 BHADMN Fc1ccccc1CN[C@@H]1CCc2ccccc21 ZINC000019950060 181012587 /nfs/dbraw/zinc/01/25/87/181012587.db2.gz MUFLROIHDKLSKM-MRXNPFEDSA-N 0 1 241.309 3.603 20 0 BHADMN Cc1ccccc1[C@@H](C)NCc1ccccc1F ZINC000019950229 179321508 /nfs/dbraw/zinc/32/15/08/179321508.db2.gz LYUPGWIXXJDXNV-CYBMUJFWSA-N 0 1 243.325 3.985 20 0 BHADMN Cc1ccccc1[C@H](C)NCc1ccccc1F ZINC000019950233 179338770 /nfs/dbraw/zinc/33/87/70/179338770.db2.gz LYUPGWIXXJDXNV-ZDUSSCGKSA-N 0 1 243.325 3.985 20 0 BHADMN Fc1ccccc1CNCc1cccc(Cl)c1 ZINC000019950464 181013612 /nfs/dbraw/zinc/01/36/12/181013612.db2.gz BZOAKRCUMOIJMO-UHFFFAOYSA-N 0 1 249.716 3.769 20 0 BHADMN C[C@@H](NCc1ccccc1F)c1cccc(F)c1 ZINC000019950501 347327687 /nfs/dbraw/zinc/32/76/87/347327687.db2.gz MREVDCRIWQOLHQ-LLVKDONJSA-N 0 1 247.288 3.816 20 0 BHADMN C[C@H](NCc1ccccc1F)c1cccc(F)c1 ZINC000019950506 385232301 /nfs/dbraw/zinc/23/23/01/385232301.db2.gz MREVDCRIWQOLHQ-NSHDSACASA-N 0 1 247.288 3.816 20 0 BHADMN c1ccc(CNCc2ccc3ccccc3c2)nc1 ZINC000019956904 385661386 /nfs/dbraw/zinc/66/13/86/385661386.db2.gz QPACDEQWIZXQKL-UHFFFAOYSA-N 0 1 248.329 3.525 20 0 BHADMN Cc1ccc(CNCc2ccc(F)cc2F)cc1 ZINC000019962333 385236154 /nfs/dbraw/zinc/23/61/54/385236154.db2.gz PKDIVZXATABRPM-UHFFFAOYSA-N 0 1 247.288 3.563 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccccc2F)cc1 ZINC000019962460 385237109 /nfs/dbraw/zinc/23/71/09/385237109.db2.gz SYBFAFLOTYWBOX-CYBMUJFWSA-N 0 1 243.325 3.985 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccccc2F)cc1 ZINC000019962462 385236565 /nfs/dbraw/zinc/23/65/65/385236565.db2.gz SYBFAFLOTYWBOX-ZDUSSCGKSA-N 0 1 243.325 3.985 20 0 BHADMN Cc1ccc([C@@H](C)NCc2ccc(C)cc2)o1 ZINC000019962496 342965228 /nfs/dbraw/zinc/96/52/28/342965228.db2.gz GTTIOOFXZRPUGK-CYBMUJFWSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1ccc([C@H](C)NCc2ccc(C)cc2)o1 ZINC000019962498 342965355 /nfs/dbraw/zinc/96/53/55/342965355.db2.gz GTTIOOFXZRPUGK-ZDUSSCGKSA-N 0 1 229.323 3.747 20 0 BHADMN Fc1ccc(CNCc2ccccc2)c(Cl)c1 ZINC000020038319 347339747 /nfs/dbraw/zinc/33/97/47/347339747.db2.gz SIZJRNRDLRSYLS-UHFFFAOYSA-N 0 1 249.716 3.769 20 0 BHADMN CCc1ccc(CNCc2ccccc2F)s1 ZINC000020053146 384570768 /nfs/dbraw/zinc/57/07/68/384570768.db2.gz HIRKCBIHQDCQLB-UHFFFAOYSA-N 0 1 249.354 3.739 20 0 BHADMN CC[C@@H](NCc1ccco1)c1cccs1 ZINC000020084050 633808698 /nfs/dbraw/zinc/80/86/98/633808698.db2.gz WWDQUQYUEYBHKJ-LLVKDONJSA-N 0 1 221.325 3.582 20 0 BHADMN CC[C@H](NCc1ccco1)c1cccs1 ZINC000020084053 633808279 /nfs/dbraw/zinc/80/82/79/633808279.db2.gz WWDQUQYUEYBHKJ-NSHDSACASA-N 0 1 221.325 3.582 20 0 BHADMN C[C@@H](NCc1ccco1)c1ccc2c(c1)CCC2 ZINC000020084090 342968494 /nfs/dbraw/zinc/96/84/94/342968494.db2.gz RHMLEGPYSGWVQA-GFCCVEGCSA-N 0 1 241.334 3.619 20 0 BHADMN C[C@H](NCc1ccco1)c1ccc2c(c1)CCC2 ZINC000020084093 384575099 /nfs/dbraw/zinc/57/50/99/384575099.db2.gz RHMLEGPYSGWVQA-LBPRGKRZSA-N 0 1 241.334 3.619 20 0 BHADMN Cc1cc([C@@H](C)NCc2ccccn2)c(C)s1 ZINC000020091730 178229830 /nfs/dbraw/zinc/22/98/30/178229830.db2.gz YNHZLMZADGYSAY-LLVKDONJSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1cc([C@H](C)NCc2ccccn2)c(C)s1 ZINC000020091732 178252198 /nfs/dbraw/zinc/25/21/98/178252198.db2.gz YNHZLMZADGYSAY-NSHDSACASA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccc(F)cc2)o1 ZINC000020095376 371229971 /nfs/dbraw/zinc/22/99/71/371229971.db2.gz RKRSQIJJFHTXKS-LLVKDONJSA-N 0 1 233.286 3.578 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccc(F)cc2)o1 ZINC000020095377 371229771 /nfs/dbraw/zinc/22/97/71/371229771.db2.gz RKRSQIJJFHTXKS-NSHDSACASA-N 0 1 233.286 3.578 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000020095495 342969269 /nfs/dbraw/zinc/96/92/69/342969269.db2.gz FISYVHKLJZWDIN-NEPJUHHUSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000020095497 384574068 /nfs/dbraw/zinc/57/40/68/384574068.db2.gz FISYVHKLJZWDIN-RYUDHWBXSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000020095499 342969397 /nfs/dbraw/zinc/96/93/97/342969397.db2.gz FISYVHKLJZWDIN-VXGBXAGGSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccccn1 ZINC000020095501 176914699 /nfs/dbraw/zinc/91/46/99/176914699.db2.gz FISYVHKLJZWDIN-NWDGAFQWSA-N 0 1 244.313 3.633 20 0 BHADMN COc1ccccc1[C@@H](C)NCc1cccs1 ZINC000020096632 175344727 /nfs/dbraw/zinc/34/47/27/175344727.db2.gz CIAGHWQIDRNZMS-LLVKDONJSA-N 0 1 247.363 3.608 20 0 BHADMN COc1ccccc1[C@H](C)NCc1cccs1 ZINC000020096634 175352420 /nfs/dbraw/zinc/35/24/20/175352420.db2.gz CIAGHWQIDRNZMS-NSHDSACASA-N 0 1 247.363 3.608 20 0 BHADMN COc1ccccc1[C@@H](C)NCc1ccsc1 ZINC000020096652 175345285 /nfs/dbraw/zinc/34/52/85/175345285.db2.gz PBOOFJIUNWYCRC-LLVKDONJSA-N 0 1 247.363 3.608 20 0 BHADMN COc1ccccc1[C@H](C)NCc1ccsc1 ZINC000020096654 175352643 /nfs/dbraw/zinc/35/26/43/175352643.db2.gz PBOOFJIUNWYCRC-NSHDSACASA-N 0 1 247.363 3.608 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccccn2)c(C)c1 ZINC000020123179 342969536 /nfs/dbraw/zinc/96/95/36/342969536.db2.gz OBLACSPANQZYOC-CQSZACIVSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccccn2)c(C)c1 ZINC000020123180 342969793 /nfs/dbraw/zinc/96/97/93/342969793.db2.gz OBLACSPANQZYOC-AWEZNQCLSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)cc1 ZINC000020123316 384579629 /nfs/dbraw/zinc/57/96/29/384579629.db2.gz AWKCNTOOIDEAMU-KGLIPLIRSA-N 0 1 240.350 3.802 20 0 BHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1 ZINC000020123317 384578419 /nfs/dbraw/zinc/57/84/19/384578419.db2.gz AWKCNTOOIDEAMU-KBPBESRZSA-N 0 1 240.350 3.802 20 0 BHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccccn2)cc1 ZINC000020123318 384579083 /nfs/dbraw/zinc/57/90/83/384579083.db2.gz AWKCNTOOIDEAMU-ZIAGYGMSSA-N 0 1 240.350 3.802 20 0 BHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccccn2)cc1 ZINC000020123319 384578355 /nfs/dbraw/zinc/57/83/55/384578355.db2.gz AWKCNTOOIDEAMU-UONOGXRCSA-N 0 1 240.350 3.802 20 0 BHADMN C[C@@H](N[C@@H](C)c1cccs1)c1ccccn1 ZINC000020123363 342970110 /nfs/dbraw/zinc/97/01/10/342970110.db2.gz IMJUOGQTARJTHP-MNOVXSKESA-N 0 1 232.352 3.555 20 0 BHADMN C[C@H](N[C@@H](C)c1ccccn1)c1cccs1 ZINC000020123364 384576811 /nfs/dbraw/zinc/57/68/11/384576811.db2.gz IMJUOGQTARJTHP-QWRGUYRKSA-N 0 1 232.352 3.555 20 0 BHADMN C[C@@H](N[C@H](C)c1ccccn1)c1cccs1 ZINC000020123365 342970042 /nfs/dbraw/zinc/97/00/42/342970042.db2.gz IMJUOGQTARJTHP-GHMZBOCLSA-N 0 1 232.352 3.555 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1cccs1 ZINC000020123366 342969985 /nfs/dbraw/zinc/96/99/85/342969985.db2.gz IMJUOGQTARJTHP-WDEREUQCSA-N 0 1 232.352 3.555 20 0 BHADMN C[C@@H](NCc1cccc(Cl)c1)c1ccccn1 ZINC000020123658 387075710 /nfs/dbraw/zinc/07/57/10/387075710.db2.gz OXSWZMUFUAFOLD-LLVKDONJSA-N 0 1 246.741 3.586 20 0 BHADMN C[C@H](NCc1cccc(Cl)c1)c1ccccn1 ZINC000020123659 387074086 /nfs/dbraw/zinc/07/40/86/387074086.db2.gz OXSWZMUFUAFOLD-NSHDSACASA-N 0 1 246.741 3.586 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccccn1)c1cccc(F)c1 ZINC000020123681 342970061 /nfs/dbraw/zinc/97/00/61/342970061.db2.gz KAUIIRYCWPQPHA-NEPJUHHUSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@H](N[C@@H](C)c1ccccn1)c1cccc(F)c1 ZINC000020123682 384578837 /nfs/dbraw/zinc/57/88/37/384578837.db2.gz KAUIIRYCWPQPHA-RYUDHWBXSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@@H](N[C@H](C)c1ccccn1)c1cccc(F)c1 ZINC000020123683 342970047 /nfs/dbraw/zinc/97/00/47/342970047.db2.gz KAUIIRYCWPQPHA-VXGBXAGGSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccccn1 ZINC000020123684 176915075 /nfs/dbraw/zinc/91/50/75/176915075.db2.gz KAUIIRYCWPQPHA-NWDGAFQWSA-N 0 1 244.313 3.633 20 0 BHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccccn2)s1 ZINC000020123738 384577171 /nfs/dbraw/zinc/57/71/71/384577171.db2.gz ABEGCTPVWORCJF-NEPJUHHUSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccccn2)s1 ZINC000020123739 384578401 /nfs/dbraw/zinc/57/84/01/384578401.db2.gz ABEGCTPVWORCJF-RYUDHWBXSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccccn2)s1 ZINC000020123740 384578372 /nfs/dbraw/zinc/57/83/72/384578372.db2.gz ABEGCTPVWORCJF-VXGBXAGGSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccn2)s1 ZINC000020123741 384579292 /nfs/dbraw/zinc/57/92/92/384579292.db2.gz ABEGCTPVWORCJF-NWDGAFQWSA-N 0 1 246.379 3.863 20 0 BHADMN C[C@@H](NCc1ccncc1)c1ccccc1Cl ZINC000020124000 356998659 /nfs/dbraw/zinc/99/86/59/356998659.db2.gz LENRVEXYSKMGEG-LLVKDONJSA-N 0 1 246.741 3.586 20 0 BHADMN C[C@H](NCc1ccncc1)c1ccccc1Cl ZINC000020124001 387074585 /nfs/dbraw/zinc/07/45/85/387074585.db2.gz LENRVEXYSKMGEG-NSHDSACASA-N 0 1 246.741 3.586 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccccc2C)o1 ZINC000020126126 342970579 /nfs/dbraw/zinc/97/05/79/342970579.db2.gz OTYBGTTZJPVUTR-CYBMUJFWSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccccc2C)o1 ZINC000020126127 342970544 /nfs/dbraw/zinc/97/05/44/342970544.db2.gz OTYBGTTZJPVUTR-ZDUSSCGKSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1ccccc1[C@H](C)N[C@H](C)c1ccccn1 ZINC000020126172 179339319 /nfs/dbraw/zinc/33/93/19/179339319.db2.gz MQJWVTONIASUGQ-UONOGXRCSA-N 0 1 240.350 3.802 20 0 BHADMN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccccn1 ZINC000020126173 179339707 /nfs/dbraw/zinc/33/97/07/179339707.db2.gz MQJWVTONIASUGQ-KBPBESRZSA-N 0 1 240.350 3.802 20 0 BHADMN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccccn1 ZINC000020126174 179323018 /nfs/dbraw/zinc/32/30/18/179323018.db2.gz MQJWVTONIASUGQ-ZIAGYGMSSA-N 0 1 240.350 3.802 20 0 BHADMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000020126175 179320931 /nfs/dbraw/zinc/32/09/31/179320931.db2.gz MQJWVTONIASUGQ-KGLIPLIRSA-N 0 1 240.350 3.802 20 0 BHADMN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccco1 ZINC000020126206 179323577 /nfs/dbraw/zinc/32/35/77/179323577.db2.gz AXHSXJFCUSWQPK-CHWSQXEVSA-N 0 1 229.323 4.000 20 0 BHADMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccco1 ZINC000020126207 179321181 /nfs/dbraw/zinc/32/11/81/179321181.db2.gz AXHSXJFCUSWQPK-OLZOCXBDSA-N 0 1 229.323 4.000 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccccc1F)c1cccnc1 ZINC000020127595 342970468 /nfs/dbraw/zinc/97/04/68/342970468.db2.gz PCCXYPBPPUXTFX-NEPJUHHUSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@H](N[C@@H](C)c1ccccc1F)c1cccnc1 ZINC000020127596 384582601 /nfs/dbraw/zinc/58/26/01/384582601.db2.gz PCCXYPBPPUXTFX-RYUDHWBXSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@@H](N[C@H](C)c1ccccc1F)c1cccnc1 ZINC000020127597 342970565 /nfs/dbraw/zinc/97/05/65/342970565.db2.gz PCCXYPBPPUXTFX-VXGBXAGGSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@@H](N[C@@H](C)c1cccnc1)c1ccccc1F ZINC000020127598 342970483 /nfs/dbraw/zinc/97/04/83/342970483.db2.gz PCCXYPBPPUXTFX-NWDGAFQWSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccco1 ZINC000020129787 342971145 /nfs/dbraw/zinc/97/11/45/342971145.db2.gz SCHFMSABGUFSMY-BXUZGUMPSA-N 0 1 227.307 3.618 20 0 BHADMN C[C@H](N[C@@H]1CCc2ccccc21)c1ccco1 ZINC000020129789 342971113 /nfs/dbraw/zinc/97/11/13/342971113.db2.gz SCHFMSABGUFSMY-SMDDNHRTSA-N 0 1 227.307 3.618 20 0 BHADMN Cc1ccc([C@@H](C)N[C@@H]2CCc3ccccc32)o1 ZINC000020129804 384580571 /nfs/dbraw/zinc/58/05/71/384580571.db2.gz SCJRQWKJJQJTBI-IUODEOHRSA-N 0 1 241.334 3.926 20 0 BHADMN Cc1ccc([C@H](C)N[C@@H]2CCc3ccccc32)o1 ZINC000020129805 384581439 /nfs/dbraw/zinc/58/14/39/384581439.db2.gz SCJRQWKJJQJTBI-SWLSCSKDSA-N 0 1 241.334 3.926 20 0 BHADMN Cc1ccc(CN[C@@H]2CCCc3ccccc32)o1 ZINC000020133466 371234374 /nfs/dbraw/zinc/23/43/74/371234374.db2.gz FGDGVIOIQDBECD-MRXNPFEDSA-N 0 1 241.334 3.755 20 0 BHADMN Cc1ccc(CN[C@H]2CCCc3ccccc32)o1 ZINC000020133468 371234137 /nfs/dbraw/zinc/23/41/37/371234137.db2.gz FGDGVIOIQDBECD-INIZCTEOSA-N 0 1 241.334 3.755 20 0 BHADMN Cc1cccc(CNCc2ccc(F)cc2F)c1 ZINC000020133847 179094573 /nfs/dbraw/zinc/09/45/73/179094573.db2.gz KHQCKKYLHNVQST-UHFFFAOYSA-N 0 1 247.288 3.563 20 0 BHADMN Cc1cccc(CN[C@H](C)c2ccccc2F)c1 ZINC000020134045 259389099 /nfs/dbraw/zinc/38/90/99/259389099.db2.gz BTOVCLIAQYEPKX-CYBMUJFWSA-N 0 1 243.325 3.985 20 0 BHADMN Cc1cccc(CN[C@@H](C)c2ccccc2F)c1 ZINC000020134048 259389426 /nfs/dbraw/zinc/38/94/26/259389426.db2.gz BTOVCLIAQYEPKX-ZDUSSCGKSA-N 0 1 243.325 3.985 20 0 BHADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2cccs2)o1 ZINC000020138923 384580705 /nfs/dbraw/zinc/58/07/05/384580705.db2.gz HZPSVFLBVXYYSO-MFKMUULPSA-N 0 1 247.363 3.754 20 0 BHADMN C[C@H]1C[C@@H]1c1ccc(CNCc2cccs2)o1 ZINC000020138926 177351301 /nfs/dbraw/zinc/35/13/01/177351301.db2.gz HZPSVFLBVXYYSO-GWCFXTLKSA-N 0 1 247.363 3.754 20 0 BHADMN C[C@@H]1C[C@H]1c1ccc(CNCc2cccs2)o1 ZINC000020138928 384580939 /nfs/dbraw/zinc/58/09/39/384580939.db2.gz HZPSVFLBVXYYSO-ZWNOBZJWSA-N 0 1 247.363 3.754 20 0 BHADMN C[C@H]1C[C@H]1c1ccc(CNCc2cccs2)o1 ZINC000020138930 342971704 /nfs/dbraw/zinc/97/17/04/342971704.db2.gz HZPSVFLBVXYYSO-GXFFZTMASA-N 0 1 247.363 3.754 20 0 BHADMN C[C@@H](NCc1cccs1)c1ccccc1F ZINC000020139061 342971565 /nfs/dbraw/zinc/97/15/65/342971565.db2.gz OHHWXVNHAOWUMK-SNVBAGLBSA-N 0 1 235.327 3.738 20 0 BHADMN C[C@H](NCc1cccs1)c1ccccc1F ZINC000020139064 387075591 /nfs/dbraw/zinc/07/55/91/387075591.db2.gz OHHWXVNHAOWUMK-JTQLQIEISA-N 0 1 235.327 3.738 20 0 BHADMN c1csc(CNCc2cc3ccccc3o2)c1 ZINC000020139518 356998719 /nfs/dbraw/zinc/99/87/19/356998719.db2.gz BZNYLSWJRGZZKF-UHFFFAOYSA-N 0 1 243.331 3.784 20 0 BHADMN C[C@@H](NCc1cccnc1)c1ccccc1Cl ZINC000020140748 356998218 /nfs/dbraw/zinc/99/82/18/356998218.db2.gz YFYXIUAJSGKROX-LLVKDONJSA-N 0 1 246.741 3.586 20 0 BHADMN C[C@H](NCc1cccnc1)c1ccccc1Cl ZINC000020140751 387074988 /nfs/dbraw/zinc/07/49/88/387074988.db2.gz YFYXIUAJSGKROX-NSHDSACASA-N 0 1 246.741 3.586 20 0 BHADMN Cc1ccc(CN[C@H](C)c2cccc(F)c2)o1 ZINC000020147794 363078355 /nfs/dbraw/zinc/07/83/55/363078355.db2.gz VFTXLHRCSPMOGV-LLVKDONJSA-N 0 1 233.286 3.578 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2cccc(F)c2)o1 ZINC000020147795 363078521 /nfs/dbraw/zinc/07/85/21/363078521.db2.gz VFTXLHRCSPMOGV-NSHDSACASA-N 0 1 233.286 3.578 20 0 BHADMN Cc1ccc(CN[C@H](C)c2cccs2)o1 ZINC000020148201 347413005 /nfs/dbraw/zinc/41/30/05/347413005.db2.gz IAGCNXBDYXATJO-SNVBAGLBSA-N 0 1 221.325 3.500 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2cccs2)o1 ZINC000020148202 347412878 /nfs/dbraw/zinc/41/28/78/347412878.db2.gz IAGCNXBDYXATJO-JTQLQIEISA-N 0 1 221.325 3.500 20 0 BHADMN Fc1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000020203852 342976416 /nfs/dbraw/zinc/97/64/16/342976416.db2.gz ZNTZNAMGOIWAEY-CQSZACIVSA-N 0 1 245.297 3.586 20 0 BHADMN Fc1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000020203855 342976742 /nfs/dbraw/zinc/97/67/42/342976742.db2.gz ZNTZNAMGOIWAEY-AWEZNQCLSA-N 0 1 245.297 3.586 20 0 BHADMN Fc1cccc(CN[C@@H]2CCCc3occc32)c1 ZINC000020203917 342976519 /nfs/dbraw/zinc/97/65/19/342976519.db2.gz YSNYEEOHCISHKI-CQSZACIVSA-N 0 1 245.297 3.586 20 0 BHADMN Fc1cccc(CN[C@H]2CCCc3occc32)c1 ZINC000020203920 342976487 /nfs/dbraw/zinc/97/64/87/342976487.db2.gz YSNYEEOHCISHKI-AWEZNQCLSA-N 0 1 245.297 3.586 20 0 BHADMN c1cc2c(o1)CCC[C@H]2NCc1ccsc1 ZINC000020204062 183373073 /nfs/dbraw/zinc/37/30/73/183373073.db2.gz RXLNBVXOUHGWCQ-GFCCVEGCSA-N 0 1 233.336 3.508 20 0 BHADMN c1cc2c(o1)CCC[C@@H]2NCc1ccsc1 ZINC000020204065 183372768 /nfs/dbraw/zinc/37/27/68/183372768.db2.gz RXLNBVXOUHGWCQ-LBPRGKRZSA-N 0 1 233.336 3.508 20 0 BHADMN Fc1ccccc1CN[C@@H]1CCCc2occc21 ZINC000020204795 181013204 /nfs/dbraw/zinc/01/32/04/181013204.db2.gz XANCSJGLHARDCR-CQSZACIVSA-N 0 1 245.297 3.586 20 0 BHADMN Fc1ccccc1CN[C@H]1CCCc2occc21 ZINC000020204798 181013027 /nfs/dbraw/zinc/01/30/27/181013027.db2.gz XANCSJGLHARDCR-AWEZNQCLSA-N 0 1 245.297 3.586 20 0 BHADMN Cc1ccc(CNCc2ccc(Cl)cc2)o1 ZINC000020209615 357001444 /nfs/dbraw/zinc/00/14/44/357001444.db2.gz QRLIBWRWSMFOHM-UHFFFAOYSA-N 0 1 235.714 3.531 20 0 BHADMN C[C@@H](NCc1ccc(Cl)cc1)c1ccccn1 ZINC000020209677 386388411 /nfs/dbraw/zinc/38/84/11/386388411.db2.gz QBGKRSGIYCVIAB-LLVKDONJSA-N 0 1 246.741 3.586 20 0 BHADMN C[C@H](NCc1ccc(Cl)cc1)c1ccccn1 ZINC000020209679 386386060 /nfs/dbraw/zinc/38/60/60/386386060.db2.gz QBGKRSGIYCVIAB-NSHDSACASA-N 0 1 246.741 3.586 20 0 BHADMN C[C@@H](NCc1ccc(Cl)cc1)c1ccco1 ZINC000020209721 386387273 /nfs/dbraw/zinc/38/72/73/386387273.db2.gz NYMARYQCMGLRMQ-SNVBAGLBSA-N 0 1 235.714 3.784 20 0 BHADMN C[C@H](NCc1ccc(Cl)cc1)c1ccco1 ZINC000020209724 386386166 /nfs/dbraw/zinc/38/61/66/386386166.db2.gz NYMARYQCMGLRMQ-JTQLQIEISA-N 0 1 235.714 3.784 20 0 BHADMN c1ccc(CNCc2ccc3ccccc3n2)cc1 ZINC000020246193 385454020 /nfs/dbraw/zinc/45/40/20/385454020.db2.gz CYUODQHXXAEAOE-UHFFFAOYSA-N 0 1 248.329 3.525 20 0 BHADMN C[C@@H](NCc1cccc(F)c1)c1ccccc1F ZINC000020305585 323084686 /nfs/dbraw/zinc/08/46/86/323084686.db2.gz OZQSRYXOQMIYAZ-LLVKDONJSA-N 0 1 247.288 3.816 20 0 BHADMN C[C@H](NCc1cccc(F)c1)c1ccccc1F ZINC000020305587 323084755 /nfs/dbraw/zinc/08/47/55/323084755.db2.gz OZQSRYXOQMIYAZ-NSHDSACASA-N 0 1 247.288 3.816 20 0 BHADMN Cc1ccc([C@@H](C)NCc2cccc(F)c2)o1 ZINC000020305672 384612110 /nfs/dbraw/zinc/61/21/10/384612110.db2.gz AOPZTEWOZCENNK-LLVKDONJSA-N 0 1 233.286 3.578 20 0 BHADMN Cc1ccc([C@H](C)NCc2cccc(F)c2)o1 ZINC000020305674 178892690 /nfs/dbraw/zinc/89/26/90/178892690.db2.gz AOPZTEWOZCENNK-NSHDSACASA-N 0 1 233.286 3.578 20 0 BHADMN Cc1cc([C@@H](C)NCc2ccc(F)cc2)c(C)o1 ZINC000020438248 178229775 /nfs/dbraw/zinc/22/97/75/178229775.db2.gz XIHJQUWZNFPQQK-LLVKDONJSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1cc([C@H](C)NCc2ccc(F)cc2)c(C)o1 ZINC000020438251 178250319 /nfs/dbraw/zinc/25/03/19/178250319.db2.gz XIHJQUWZNFPQQK-NSHDSACASA-N 0 1 247.313 3.886 20 0 BHADMN Cc1cc([C@H](C)N[C@H](C)c2cccnc2)c(C)o1 ZINC000020438853 178258220 /nfs/dbraw/zinc/25/82/20/178258220.db2.gz PAJVAXJIKCLTQJ-NEPJUHHUSA-N 0 1 244.338 3.703 20 0 BHADMN Cc1cc([C@H](C)N[C@@H](C)c2cccnc2)c(C)o1 ZINC000020438859 178254347 /nfs/dbraw/zinc/25/43/47/178254347.db2.gz PAJVAXJIKCLTQJ-RYUDHWBXSA-N 0 1 244.338 3.703 20 0 BHADMN Cc1cc([C@@H](C)N[C@H](C)c2cccnc2)c(C)o1 ZINC000020438863 178232276 /nfs/dbraw/zinc/23/22/76/178232276.db2.gz PAJVAXJIKCLTQJ-VXGBXAGGSA-N 0 1 244.338 3.703 20 0 BHADMN Cc1cc([C@@H](C)N[C@@H](C)c2cccnc2)c(C)o1 ZINC000020438868 178231695 /nfs/dbraw/zinc/23/16/95/178231695.db2.gz PAJVAXJIKCLTQJ-NWDGAFQWSA-N 0 1 244.338 3.703 20 0 BHADMN Cc1cc([C@@H](C)NCc2cccc(F)c2)c(C)o1 ZINC000020473260 178229451 /nfs/dbraw/zinc/22/94/51/178229451.db2.gz SYVCFGOLZPKBQR-LLVKDONJSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1cc([C@H](C)NCc2cccc(F)c2)c(C)o1 ZINC000020473261 178251839 /nfs/dbraw/zinc/25/18/39/178251839.db2.gz SYVCFGOLZPKBQR-NSHDSACASA-N 0 1 247.313 3.886 20 0 BHADMN Cc1ccc2nc(SC/C=C/Cl)[nH]c2c1 ZINC000020823593 590160069 /nfs/dbraw/zinc/16/00/69/590160069.db2.gz OYDZRPOAMBQBGU-GORDUTHDSA-N 0 1 238.743 3.716 20 0 BHADMN COc1cccc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000021001600 175236514 /nfs/dbraw/zinc/23/65/14/175236514.db2.gz ATWXAYDHDVBRSI-UHFFFAOYSA-N 0 1 238.290 3.547 20 0 BHADMN CC[C@@H](NCc1ccco1)c1ccc(F)cc1 ZINC000021954035 343029652 /nfs/dbraw/zinc/02/96/52/343029652.db2.gz STUZPVKINWCDRV-CQSZACIVSA-N 0 1 233.286 3.660 20 0 BHADMN CC[C@H](NCc1ccco1)c1ccc(F)cc1 ZINC000021954037 343029801 /nfs/dbraw/zinc/02/98/01/343029801.db2.gz STUZPVKINWCDRV-AWEZNQCLSA-N 0 1 233.286 3.660 20 0 BHADMN CCOc1ccc([C@@H](C)NCc2ccco2)cc1 ZINC000021954689 357054717 /nfs/dbraw/zinc/05/47/17/357054717.db2.gz ZHUNMRPPRQRXMT-GFCCVEGCSA-N 0 1 245.322 3.529 20 0 BHADMN CCOc1ccc([C@H](C)NCc2ccco2)cc1 ZINC000021954693 357054642 /nfs/dbraw/zinc/05/46/42/357054642.db2.gz ZHUNMRPPRQRXMT-LBPRGKRZSA-N 0 1 245.322 3.529 20 0 BHADMN CC[C@@H](NCc1ccco1)c1ccccc1 ZINC000021957311 343030334 /nfs/dbraw/zinc/03/03/34/343030334.db2.gz LOFYMBSDUYZBSM-CQSZACIVSA-N 0 1 215.296 3.521 20 0 BHADMN CC[C@H](NCc1ccco1)c1ccccc1 ZINC000021957314 343030324 /nfs/dbraw/zinc/03/03/24/343030324.db2.gz LOFYMBSDUYZBSM-AWEZNQCLSA-N 0 1 215.296 3.521 20 0 BHADMN Cc1ccc([C@@H](C)NCc2ccco2)c(C)c1 ZINC000021957710 384709135 /nfs/dbraw/zinc/70/91/35/384709135.db2.gz VIJOZLASQJVPPY-CYBMUJFWSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1ccc([C@H](C)NCc2ccco2)c(C)c1 ZINC000021957714 384710116 /nfs/dbraw/zinc/71/01/16/384710116.db2.gz VIJOZLASQJVPPY-ZDUSSCGKSA-N 0 1 229.323 3.747 20 0 BHADMN c1coc(CNCc2ccc3ccccc3c2)c1 ZINC000021967864 357054713 /nfs/dbraw/zinc/05/47/13/357054713.db2.gz GLXJWPSNNRHPCP-UHFFFAOYSA-N 0 1 237.302 3.723 20 0 BHADMN CC[C@@H](NCc1ccco1)c1ccc(OC)cc1 ZINC000022142622 343042199 /nfs/dbraw/zinc/04/21/99/343042199.db2.gz VNCCIJFPBJFANN-OAHLLOKOSA-N 0 1 245.322 3.529 20 0 BHADMN CC[C@H](NCc1ccco1)c1ccc(OC)cc1 ZINC000022142625 343042162 /nfs/dbraw/zinc/04/21/62/343042162.db2.gz VNCCIJFPBJFANN-HNNXBMFYSA-N 0 1 245.322 3.529 20 0 BHADMN c1coc(CN[C@H]2CCCCc3ccccc32)c1 ZINC000022143736 343042189 /nfs/dbraw/zinc/04/21/89/343042189.db2.gz DGXMJUIMWISRKA-INIZCTEOSA-N 0 1 241.334 3.837 20 0 BHADMN c1coc(CN[C@@H]2CCCCc3ccccc32)c1 ZINC000022143739 397972713 /nfs/dbraw/zinc/97/27/13/397972713.db2.gz DGXMJUIMWISRKA-MRXNPFEDSA-N 0 1 241.334 3.837 20 0 BHADMN CC[C@@H](NCc1ccco1)c1ccc(C)cc1 ZINC000022144347 343042283 /nfs/dbraw/zinc/04/22/83/343042283.db2.gz VCQACSKIOBXMME-OAHLLOKOSA-N 0 1 229.323 3.829 20 0 BHADMN CC[C@H](NCc1ccco1)c1ccc(C)cc1 ZINC000022144350 343042353 /nfs/dbraw/zinc/04/23/53/343042353.db2.gz VCQACSKIOBXMME-HNNXBMFYSA-N 0 1 229.323 3.829 20 0 BHADMN Cc1ccc(C)c([C@@H](C)NCc2ccco2)c1 ZINC000022145239 385767852 /nfs/dbraw/zinc/76/78/52/385767852.db2.gz GPRZDIJWLPHKOJ-CYBMUJFWSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1ccc(C)c([C@H](C)NCc2ccco2)c1 ZINC000022145242 351047483 /nfs/dbraw/zinc/04/74/83/351047483.db2.gz GPRZDIJWLPHKOJ-ZDUSSCGKSA-N 0 1 229.323 3.747 20 0 BHADMN c1coc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000022175773 384742876 /nfs/dbraw/zinc/74/28/76/384742876.db2.gz PGVHOYTWAHRAIW-CYBMUJFWSA-N 0 1 245.347 3.606 20 0 BHADMN c1coc(CN[C@H]2CCSc3ccccc32)c1 ZINC000022175775 188109471 /nfs/dbraw/zinc/10/94/71/188109471.db2.gz PGVHOYTWAHRAIW-ZDUSSCGKSA-N 0 1 245.347 3.606 20 0 BHADMN C[C@@H](NCc1ccco1)c1ccc(Cl)cc1 ZINC000022213682 175902311 /nfs/dbraw/zinc/90/23/11/175902311.db2.gz DLHIYRWSVMAJRM-SNVBAGLBSA-N 0 1 235.714 3.784 20 0 BHADMN C[C@H](NCc1ccco1)c1ccc(Cl)cc1 ZINC000022213685 387272085 /nfs/dbraw/zinc/27/20/85/387272085.db2.gz DLHIYRWSVMAJRM-JTQLQIEISA-N 0 1 235.714 3.784 20 0 BHADMN C[C@@H](NCc1ccco1)c1cccc(Cl)c1 ZINC000022223631 357063780 /nfs/dbraw/zinc/06/37/80/357063780.db2.gz SUKDTWHDCWEJQV-SNVBAGLBSA-N 0 1 235.714 3.784 20 0 BHADMN C[C@H](NCc1ccco1)c1cccc(Cl)c1 ZINC000022223633 387270997 /nfs/dbraw/zinc/27/09/97/387270997.db2.gz SUKDTWHDCWEJQV-JTQLQIEISA-N 0 1 235.714 3.784 20 0 BHADMN CCSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000026439904 357118127 /nfs/dbraw/zinc/11/81/27/357118127.db2.gz WUHXHGNPNKIUKQ-UHFFFAOYSA-N 0 1 246.257 3.694 20 0 BHADMN Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000027856258 178337577 /nfs/dbraw/zinc/33/75/77/178337577.db2.gz MCNOHUJCNUTRBX-UHFFFAOYSA-N 0 1 243.697 3.587 20 0 BHADMN CCCCN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000032192860 350192554 /nfs/dbraw/zinc/19/25/54/350192554.db2.gz ZGEHJUDRCBHGTK-UHFFFAOYSA-N 0 1 242.366 3.635 20 0 BHADMN Cc1ccccc1/C=C\C(=O)c1ccccc1O ZINC000033378695 344396933 /nfs/dbraw/zinc/39/69/33/344396933.db2.gz ARUMOQJPOFYOBO-KHPPLWFESA-N 0 1 238.286 3.597 20 0 BHADMN CCCCN(Cc1ccco1)Cc1ccco1 ZINC000033641109 354651165 /nfs/dbraw/zinc/65/11/65/354651165.db2.gz HPZRGANZYNUAFY-UHFFFAOYSA-N 0 1 233.311 3.675 20 0 BHADMN Cc1cccc(CN2CCc3sccc3C2)c1 ZINC000033756567 368262940 /nfs/dbraw/zinc/26/29/40/368262940.db2.gz CHWVJDVTYSBUEF-UHFFFAOYSA-N 0 1 243.375 3.615 20 0 BHADMN Cc1ccc(CN2CCc3sccc3C2)cc1 ZINC000033823580 368263042 /nfs/dbraw/zinc/26/30/42/368263042.db2.gz LPBHLADHFNDDTN-UHFFFAOYSA-N 0 1 243.375 3.615 20 0 BHADMN Cc1ccc2nc(SCC(F)(F)F)[nH]c2c1 ZINC000034123832 355795457 /nfs/dbraw/zinc/79/54/57/355795457.db2.gz XLCDRUCRHWEGEB-UHFFFAOYSA-N 0 1 246.257 3.526 20 0 BHADMN Cc1ccc(CNCc2ccccc2F)cc1C ZINC000034991952 636351102 /nfs/dbraw/zinc/35/11/02/636351102.db2.gz MZTVLCPLDCLDRZ-UHFFFAOYSA-N 0 1 243.325 3.732 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccccn2)cc1C ZINC000034992535 343282571 /nfs/dbraw/zinc/28/25/71/343282571.db2.gz UWOISUFFRQCVRC-AWEZNQCLSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccccn2)cc1C ZINC000034992536 343282901 /nfs/dbraw/zinc/28/29/01/343282901.db2.gz UWOISUFFRQCVRC-CQSZACIVSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1ccc([C@H](C)NCc2ccccc2C)o1 ZINC000034993610 383822277 /nfs/dbraw/zinc/82/22/77/383822277.db2.gz XLNLAYODXWOBMG-ZDUSSCGKSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1ccc([C@@H](C)NCc2ccccc2C)o1 ZINC000034993611 383822643 /nfs/dbraw/zinc/82/26/43/383822643.db2.gz XLNLAYODXWOBMG-CYBMUJFWSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1ccc([C@H](C)NCc2sccc2C)o1 ZINC000035013370 383825028 /nfs/dbraw/zinc/82/50/28/383825028.db2.gz KYVWTKRLKHEGOC-NSHDSACASA-N 0 1 235.352 3.809 20 0 BHADMN Cc1ccc([C@@H](C)NCc2sccc2C)o1 ZINC000035013372 383824431 /nfs/dbraw/zinc/82/44/31/383824431.db2.gz KYVWTKRLKHEGOC-LLVKDONJSA-N 0 1 235.352 3.809 20 0 BHADMN Cc1ccc([C@@H](C)NCc2ccsc2)o1 ZINC000035013394 384394827 /nfs/dbraw/zinc/39/48/27/384394827.db2.gz BZEOCXONAKKDAQ-SNVBAGLBSA-N 0 1 221.325 3.500 20 0 BHADMN Cc1ccc([C@H](C)NCc2ccsc2)o1 ZINC000035013396 384393759 /nfs/dbraw/zinc/39/37/59/384393759.db2.gz BZEOCXONAKKDAQ-JTQLQIEISA-N 0 1 221.325 3.500 20 0 BHADMN CC(C)[C@H](NCc1ccco1)c1ccc(F)cc1 ZINC000035016379 323395238 /nfs/dbraw/zinc/39/52/38/323395238.db2.gz KAHRTJICYVELGR-HNNXBMFYSA-N 0 1 247.313 3.906 20 0 BHADMN CC(C)[C@@H](NCc1ccco1)c1ccc(F)cc1 ZINC000035016381 323394700 /nfs/dbraw/zinc/39/47/00/323394700.db2.gz KAHRTJICYVELGR-OAHLLOKOSA-N 0 1 247.313 3.906 20 0 BHADMN c1coc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000035053168 383825372 /nfs/dbraw/zinc/82/53/72/383825372.db2.gz UALUOHUFLUKUBV-HNNXBMFYSA-N 0 1 227.307 3.521 20 0 BHADMN c1coc(CN[C@H](c2ccccc2)C2CC2)c1 ZINC000035053170 383823786 /nfs/dbraw/zinc/82/37/86/383823786.db2.gz UALUOHUFLUKUBV-OAHLLOKOSA-N 0 1 227.307 3.521 20 0 BHADMN Cc1ccc(CN[C@@H](c2ccccc2)C2CC2)o1 ZINC000035053187 343283754 /nfs/dbraw/zinc/28/37/54/343283754.db2.gz NHXSTYVUHDLKNG-INIZCTEOSA-N 0 1 241.334 3.829 20 0 BHADMN Cc1ccc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000035053188 343283502 /nfs/dbraw/zinc/28/35/02/343283502.db2.gz NHXSTYVUHDLKNG-MRXNPFEDSA-N 0 1 241.334 3.829 20 0 BHADMN C[C@H](NCc1cccc(F)c1F)c1ccccc1 ZINC000035055156 387552937 /nfs/dbraw/zinc/55/29/37/387552937.db2.gz KQHJHXDAQFHLAS-NSHDSACASA-N 0 1 247.288 3.816 20 0 BHADMN C[C@@H](NCc1cccc(F)c1F)c1ccccc1 ZINC000035055157 387553082 /nfs/dbraw/zinc/55/30/82/387553082.db2.gz KQHJHXDAQFHLAS-LLVKDONJSA-N 0 1 247.288 3.816 20 0 BHADMN C[C@H](NCc1cccc(Cl)c1)c1ccco1 ZINC000035136844 387551263 /nfs/dbraw/zinc/55/12/63/387551263.db2.gz GNYDZOPHCBEJHM-JTQLQIEISA-N 0 1 235.714 3.784 20 0 BHADMN C[C@@H](NCc1cccc(Cl)c1)c1ccco1 ZINC000035136846 387551327 /nfs/dbraw/zinc/55/13/27/387551327.db2.gz GNYDZOPHCBEJHM-SNVBAGLBSA-N 0 1 235.714 3.784 20 0 BHADMN CSc1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000035136872 643101423 /nfs/dbraw/zinc/10/14/23/643101423.db2.gz CIDJAPKVNZGFLT-NSHDSACASA-N 0 1 247.363 3.852 20 0 BHADMN CSc1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000035136874 187208013 /nfs/dbraw/zinc/20/80/13/187208013.db2.gz CIDJAPKVNZGFLT-LLVKDONJSA-N 0 1 247.363 3.852 20 0 BHADMN CCOc1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000035136902 343286193 /nfs/dbraw/zinc/28/61/93/343286193.db2.gz ATRCDQDORFJWPD-LBPRGKRZSA-N 0 1 245.322 3.529 20 0 BHADMN CCOc1ccc(CN[C@H](C)c2ccco2)cc1 ZINC000035136903 343286336 /nfs/dbraw/zinc/28/63/36/343286336.db2.gz ATRCDQDORFJWPD-GFCCVEGCSA-N 0 1 245.322 3.529 20 0 BHADMN Cc1ccsc1CN[C@@H](C)c1ccco1 ZINC000035136908 342883834 /nfs/dbraw/zinc/88/38/34/342883834.db2.gz GSKNQRHKXGTRGX-JTQLQIEISA-N 0 1 221.325 3.500 20 0 BHADMN Cc1ccsc1CN[C@H](C)c1ccco1 ZINC000035136910 179550626 /nfs/dbraw/zinc/55/06/26/179550626.db2.gz GSKNQRHKXGTRGX-SNVBAGLBSA-N 0 1 221.325 3.500 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccco2)s1 ZINC000035136957 342883765 /nfs/dbraw/zinc/88/37/65/342883765.db2.gz NTRHBCYHMMXBHF-JTQLQIEISA-N 0 1 221.325 3.500 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccco2)s1 ZINC000035136959 342883816 /nfs/dbraw/zinc/88/38/16/342883816.db2.gz NTRHBCYHMMXBHF-SNVBAGLBSA-N 0 1 221.325 3.500 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccco2)c(C)c1 ZINC000035136964 359649388 /nfs/dbraw/zinc/64/93/88/359649388.db2.gz IIFVEVDUNRAWJK-ZDUSSCGKSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccco2)c(C)c1 ZINC000035136965 359649495 /nfs/dbraw/zinc/64/94/95/359649495.db2.gz IIFVEVDUNRAWJK-CYBMUJFWSA-N 0 1 229.323 3.747 20 0 BHADMN C[C@H](NCc1ccc(Cl)s1)c1ccco1 ZINC000035142504 643100890 /nfs/dbraw/zinc/10/08/90/643100890.db2.gz KCFGYYKRJVIHSS-QMMMGPOBSA-N 0 1 241.743 3.845 20 0 BHADMN C[C@@H](NCc1ccc(Cl)s1)c1ccco1 ZINC000035142507 643101242 /nfs/dbraw/zinc/10/12/42/643101242.db2.gz KCFGYYKRJVIHSS-MRVPVSSYSA-N 0 1 241.743 3.845 20 0 BHADMN Cc1ccc(CNCc2cccc(F)c2F)cc1 ZINC000035223280 359652176 /nfs/dbraw/zinc/65/21/76/359652176.db2.gz MYJVYHFBOAPEEA-UHFFFAOYSA-N 0 1 247.288 3.563 20 0 BHADMN C[C@H](NCc1ccco1)c1ccc(Cl)s1 ZINC000035285584 384405617 /nfs/dbraw/zinc/40/56/17/384405617.db2.gz RUCFQFQOZCMYPB-QMMMGPOBSA-N 0 1 241.743 3.845 20 0 BHADMN C[C@@H](NCc1ccco1)c1ccc(Cl)s1 ZINC000035285585 342886902 /nfs/dbraw/zinc/88/69/02/342886902.db2.gz RUCFQFQOZCMYPB-MRVPVSSYSA-N 0 1 241.743 3.845 20 0 BHADMN CN[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000035463592 387575671 /nfs/dbraw/zinc/57/56/71/387575671.db2.gz JVZMVAGRFQDUGN-AWEZNQCLSA-N 0 1 249.716 3.788 20 0 BHADMN CN[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000035463594 173456886 /nfs/dbraw/zinc/45/68/86/173456886.db2.gz JVZMVAGRFQDUGN-CQSZACIVSA-N 0 1 249.716 3.788 20 0 BHADMN CCc1ccc(CN[C@@H](C)c2ccccn2)s1 ZINC000035694785 383869596 /nfs/dbraw/zinc/86/95/96/383869596.db2.gz QEHCIJWJRUQTLM-NSHDSACASA-N 0 1 246.379 3.556 20 0 BHADMN CCc1ccc(CN[C@H](C)c2ccccn2)s1 ZINC000035694787 383870439 /nfs/dbraw/zinc/87/04/39/383870439.db2.gz QEHCIJWJRUQTLM-LLVKDONJSA-N 0 1 246.379 3.556 20 0 BHADMN COc1cccc([C@H](C)N[C@@H](C)c2ccco2)c1 ZINC000035738968 175293033 /nfs/dbraw/zinc/29/30/33/175293033.db2.gz OMBYPYRPLVBLAB-RYUDHWBXSA-N 0 1 245.322 3.700 20 0 BHADMN COc1cccc([C@@H](C)N[C@@H](C)c2ccco2)c1 ZINC000035738969 175288067 /nfs/dbraw/zinc/28/80/67/175288067.db2.gz OMBYPYRPLVBLAB-NEPJUHHUSA-N 0 1 245.322 3.700 20 0 BHADMN COc1cccc([C@H](C)N[C@H](C)c2ccco2)c1 ZINC000035738970 175293677 /nfs/dbraw/zinc/29/36/77/175293677.db2.gz OMBYPYRPLVBLAB-NWDGAFQWSA-N 0 1 245.322 3.700 20 0 BHADMN COc1cccc([C@@H](C)N[C@H](C)c2ccco2)c1 ZINC000035738971 175288125 /nfs/dbraw/zinc/28/81/25/175288125.db2.gz OMBYPYRPLVBLAB-VXGBXAGGSA-N 0 1 245.322 3.700 20 0 BHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccco2)cc1 ZINC000035738976 175189644 /nfs/dbraw/zinc/18/96/44/175189644.db2.gz OZNKZWJEJXLXMD-RYUDHWBXSA-N 0 1 245.322 3.700 20 0 BHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccco2)cc1 ZINC000035738977 175177459 /nfs/dbraw/zinc/17/74/59/175177459.db2.gz OZNKZWJEJXLXMD-NEPJUHHUSA-N 0 1 245.322 3.700 20 0 BHADMN COc1ccc([C@H](C)N[C@H](C)c2ccco2)cc1 ZINC000035738978 175190337 /nfs/dbraw/zinc/19/03/37/175190337.db2.gz OZNKZWJEJXLXMD-NWDGAFQWSA-N 0 1 245.322 3.700 20 0 BHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccco2)cc1 ZINC000035738979 175177908 /nfs/dbraw/zinc/17/79/08/175177908.db2.gz OZNKZWJEJXLXMD-VXGBXAGGSA-N 0 1 245.322 3.700 20 0 BHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccco2)cc1 ZINC000035739039 383874144 /nfs/dbraw/zinc/87/41/44/383874144.db2.gz IAEVEYCDGODTFV-OLZOCXBDSA-N 0 1 229.323 4.000 20 0 BHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccco2)cc1 ZINC000035739040 383871566 /nfs/dbraw/zinc/87/15/66/383871566.db2.gz IAEVEYCDGODTFV-STQMWFEESA-N 0 1 229.323 4.000 20 0 BHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccco2)cc1 ZINC000035739041 383874408 /nfs/dbraw/zinc/87/44/08/383874408.db2.gz IAEVEYCDGODTFV-CHWSQXEVSA-N 0 1 229.323 4.000 20 0 BHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccco2)cc1 ZINC000035739042 383874067 /nfs/dbraw/zinc/87/40/67/383874067.db2.gz IAEVEYCDGODTFV-QWHCGFSZSA-N 0 1 229.323 4.000 20 0 BHADMN CCc1ccc(CN[C@@H](C)c2ccco2)s1 ZINC000035739331 383873309 /nfs/dbraw/zinc/87/33/09/383873309.db2.gz RYCPNUPTXQOUGP-JTQLQIEISA-N 0 1 235.352 3.754 20 0 BHADMN CCc1ccc(CN[C@H](C)c2ccco2)s1 ZINC000035739332 383872564 /nfs/dbraw/zinc/87/25/64/383872564.db2.gz RYCPNUPTXQOUGP-SNVBAGLBSA-N 0 1 235.352 3.754 20 0 BHADMN Cc1[nH]ncc1CNc1ccc(C(C)(C)C)cc1 ZINC000036901439 383917419 /nfs/dbraw/zinc/91/74/19/383917419.db2.gz JWASIASCHNZPFH-UHFFFAOYSA-N 0 1 243.354 3.628 20 0 BHADMN CCCCc1ccc(NCc2cn[nH]c2C)cc1 ZINC000036901632 169021640 /nfs/dbraw/zinc/02/16/40/169021640.db2.gz GPBDFKUDZPCSHK-UHFFFAOYSA-N 0 1 243.354 3.673 20 0 BHADMN Cc1ccc([C@H](NCc2ccco2)C2CC2)cc1 ZINC000037184237 343338169 /nfs/dbraw/zinc/33/81/69/343338169.db2.gz AERZVDREMRRMOU-INIZCTEOSA-N 0 1 241.334 3.829 20 0 BHADMN Cc1ccc([C@@H](NCc2ccco2)C2CC2)cc1 ZINC000037184238 178863441 /nfs/dbraw/zinc/86/34/41/178863441.db2.gz AERZVDREMRRMOU-MRXNPFEDSA-N 0 1 241.334 3.829 20 0 BHADMN Fc1ccc([C@H](NCc2ccco2)C2CC2)cc1 ZINC000037184301 343338376 /nfs/dbraw/zinc/33/83/76/343338376.db2.gz HZNDVKHRFGFOHT-OAHLLOKOSA-N 0 1 245.297 3.660 20 0 BHADMN Fc1ccc([C@@H](NCc2ccco2)C2CC2)cc1 ZINC000037184302 343338275 /nfs/dbraw/zinc/33/82/75/343338275.db2.gz HZNDVKHRFGFOHT-HNNXBMFYSA-N 0 1 245.297 3.660 20 0 BHADMN Cc1cccc([C@@H](C)NCc2ccccc2F)c1 ZINC000037211977 324435719 /nfs/dbraw/zinc/43/57/19/324435719.db2.gz IUWKCKMMRCKPRN-CYBMUJFWSA-N 0 1 243.325 3.985 20 0 BHADMN Cc1cccc([C@H](C)NCc2ccccc2F)c1 ZINC000037211978 324435678 /nfs/dbraw/zinc/43/56/78/324435678.db2.gz IUWKCKMMRCKPRN-ZDUSSCGKSA-N 0 1 243.325 3.985 20 0 BHADMN Cc1cccc([C@@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000037218893 179183034 /nfs/dbraw/zinc/18/30/34/179183034.db2.gz QXCZRFHUUBRJOE-KGLIPLIRSA-N 0 1 240.350 3.802 20 0 BHADMN Cc1cccc([C@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000037218894 179195732 /nfs/dbraw/zinc/19/57/32/179195732.db2.gz QXCZRFHUUBRJOE-KBPBESRZSA-N 0 1 240.350 3.802 20 0 BHADMN Cc1cccc([C@@H](C)N[C@H](C)c2ccccn2)c1 ZINC000037218895 179182073 /nfs/dbraw/zinc/18/20/73/179182073.db2.gz QXCZRFHUUBRJOE-ZIAGYGMSSA-N 0 1 240.350 3.802 20 0 BHADMN Cc1cccc([C@H](C)N[C@H](C)c2ccccn2)c1 ZINC000037218896 179197371 /nfs/dbraw/zinc/19/73/71/179197371.db2.gz QXCZRFHUUBRJOE-UONOGXRCSA-N 0 1 240.350 3.802 20 0 BHADMN C[C@H](NCc1cc(F)ccc1F)c1ccccc1 ZINC000037228224 387050899 /nfs/dbraw/zinc/05/08/99/387050899.db2.gz RBEOBULOTAODIG-NSHDSACASA-N 0 1 247.288 3.816 20 0 BHADMN C[C@@H](NCc1cc(F)ccc1F)c1ccccc1 ZINC000037228225 387050317 /nfs/dbraw/zinc/05/03/17/387050317.db2.gz RBEOBULOTAODIG-LLVKDONJSA-N 0 1 247.288 3.816 20 0 BHADMN Cc1ccc(CNCc2cc(F)ccc2F)cc1 ZINC000037228398 355834010 /nfs/dbraw/zinc/83/40/10/355834010.db2.gz YRBXRGIAQMGPMK-UHFFFAOYSA-N 0 1 247.288 3.563 20 0 BHADMN Cc1cccc(CNCc2cc(F)ccc2F)c1 ZINC000037233186 179094306 /nfs/dbraw/zinc/09/43/06/179094306.db2.gz QUFFDUHVRUUMFB-UHFFFAOYSA-N 0 1 247.288 3.563 20 0 BHADMN Cc1ccccc1CNCc1ccc(F)cc1F ZINC000037486713 179283530 /nfs/dbraw/zinc/28/35/30/179283530.db2.gz DDBPRJOOQCNERX-UHFFFAOYSA-N 0 1 247.288 3.563 20 0 BHADMN Cc1ccccc1CN[C@@H](C)c1ccccc1F ZINC000037486734 388644780 /nfs/dbraw/zinc/64/47/80/388644780.db2.gz HJGOYVZPEMJFRR-ZDUSSCGKSA-N 0 1 243.325 3.985 20 0 BHADMN Cc1ccccc1CN[C@H](C)c1ccccc1F ZINC000037486735 388644476 /nfs/dbraw/zinc/64/44/76/388644476.db2.gz HJGOYVZPEMJFRR-CYBMUJFWSA-N 0 1 243.325 3.985 20 0 BHADMN Cc1ccccc1CNCc1ccc(Cl)o1 ZINC000037486748 179282709 /nfs/dbraw/zinc/28/27/09/179282709.db2.gz GIBVPQLHUUAFQO-UHFFFAOYSA-N 0 1 235.714 3.531 20 0 BHADMN Cc1ccc(CNCc2ccc(Cl)o2)cc1 ZINC000037486749 346700412 /nfs/dbraw/zinc/70/04/12/346700412.db2.gz JFMVNVDFHFMASA-UHFFFAOYSA-N 0 1 235.714 3.531 20 0 BHADMN Cc1cccc(CNCc2ccc(Cl)o2)c1 ZINC000037486754 179093538 /nfs/dbraw/zinc/09/35/38/179093538.db2.gz IWIOWZWJNMZGTN-UHFFFAOYSA-N 0 1 235.714 3.531 20 0 BHADMN C[C@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000037486948 323284269 /nfs/dbraw/zinc/28/42/69/323284269.db2.gz WHGJPPCVQGSEMZ-JTQLQIEISA-N 0 1 235.714 3.784 20 0 BHADMN C[C@@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000037486949 323284298 /nfs/dbraw/zinc/28/42/98/323284298.db2.gz WHGJPPCVQGSEMZ-SNVBAGLBSA-N 0 1 235.714 3.784 20 0 BHADMN C[C@H](NCc1ccc(Cl)o1)c1cccs1 ZINC000037487134 384506811 /nfs/dbraw/zinc/50/68/11/384506811.db2.gz FQCSUEPVERJODM-QMMMGPOBSA-N 0 1 241.743 3.845 20 0 BHADMN C[C@@H](NCc1ccc(Cl)o1)c1cccs1 ZINC000037487135 384508023 /nfs/dbraw/zinc/50/80/23/384508023.db2.gz FQCSUEPVERJODM-MRVPVSSYSA-N 0 1 241.743 3.845 20 0 BHADMN Clc1ccc(CN[C@H]2CCc3ccccc32)o1 ZINC000037489098 358474546 /nfs/dbraw/zinc/47/45/46/358474546.db2.gz OYISESKORBEBAL-ZDUSSCGKSA-N 0 1 247.725 3.710 20 0 BHADMN Clc1ccc(CN[C@@H]2CCc3ccccc32)o1 ZINC000037489099 358474204 /nfs/dbraw/zinc/47/42/04/358474204.db2.gz OYISESKORBEBAL-CYBMUJFWSA-N 0 1 247.725 3.710 20 0 BHADMN C[C@H](NCc1ccsc1)c1ccccc1F ZINC000037494504 387564109 /nfs/dbraw/zinc/56/41/09/387564109.db2.gz XWOUKMDJTSWGOR-JTQLQIEISA-N 0 1 235.327 3.738 20 0 BHADMN C[C@@H](NCc1ccsc1)c1ccccc1F ZINC000037494505 346700823 /nfs/dbraw/zinc/70/08/23/346700823.db2.gz XWOUKMDJTSWGOR-SNVBAGLBSA-N 0 1 235.327 3.738 20 0 BHADMN CCN(CC)Cc1cc2ccccc2nc1Cl ZINC000037495068 712655353 /nfs/dbraw/zinc/65/53/53/712655353.db2.gz JKGYDGHVSXWYRT-UHFFFAOYSA-N 0 1 248.757 3.730 20 0 BHADMN CCOc1cccc(CN[C@@H](C)c2ccco2)c1 ZINC000037678543 170578775 /nfs/dbraw/zinc/57/87/75/170578775.db2.gz MOOVDHQJCDPYMJ-LBPRGKRZSA-N 0 1 245.322 3.529 20 0 BHADMN CCOc1cccc(CN[C@H](C)c2ccco2)c1 ZINC000037678545 343351273 /nfs/dbraw/zinc/35/12/73/343351273.db2.gz MOOVDHQJCDPYMJ-GFCCVEGCSA-N 0 1 245.322 3.529 20 0 BHADMN Cc1ccccc1CNCc1cc(F)ccc1F ZINC000037718994 179283126 /nfs/dbraw/zinc/28/31/26/179283126.db2.gz FSOXFWPCPCRPMT-UHFFFAOYSA-N 0 1 247.288 3.563 20 0 BHADMN CCCN(C)Cc1cc2ccccc2nc1Cl ZINC000037758320 169081738 /nfs/dbraw/zinc/08/17/38/169081738.db2.gz WSSCTLVPHPFDQB-UHFFFAOYSA-N 0 1 248.757 3.730 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccc(C)cc2)o1 ZINC000037770089 384013167 /nfs/dbraw/zinc/01/31/67/384013167.db2.gz JDHXZBLHBDUSAA-CYBMUJFWSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccc(C)cc2)o1 ZINC000037770090 384013079 /nfs/dbraw/zinc/01/30/79/384013079.db2.gz JDHXZBLHBDUSAA-ZDUSSCGKSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1ccccc1CNCc1cccc(F)c1F ZINC000037860360 179282139 /nfs/dbraw/zinc/28/21/39/179282139.db2.gz XPUZUZCCZJXKQS-UHFFFAOYSA-N 0 1 247.288 3.563 20 0 BHADMN Cc1cccc(CNCc2cccc(F)c2F)c1 ZINC000037871788 179096400 /nfs/dbraw/zinc/09/64/00/179096400.db2.gz UFWDFDAZUNEKFQ-UHFFFAOYSA-N 0 1 247.288 3.563 20 0 BHADMN Cc1cccc(NCCSc2ccccc2)n1 ZINC000037904403 188157022 /nfs/dbraw/zinc/15/70/22/188157022.db2.gz VUHKCLKUWLRPNB-UHFFFAOYSA-N 0 1 244.363 3.594 20 0 BHADMN c1coc(CNCc2cc3c(s2)CCCC3)c1 ZINC000037927546 346262467 /nfs/dbraw/zinc/26/24/67/346262467.db2.gz LDLRBMBADVSRAA-UHFFFAOYSA-N 0 1 247.363 3.510 20 0 BHADMN Fc1ccc(Cl)cc1CNCc1ccccc1 ZINC000037927696 357408986 /nfs/dbraw/zinc/40/89/86/357408986.db2.gz TWJNLCTUNZSSFH-UHFFFAOYSA-N 0 1 249.716 3.769 20 0 BHADMN Fc1cc(Cl)ccc1CNCc1ccccc1 ZINC000037927716 363899209 /nfs/dbraw/zinc/89/92/09/363899209.db2.gz IZQVFXKOBOTKPR-UHFFFAOYSA-N 0 1 249.716 3.769 20 0 BHADMN Cc1cc(C)cc(CNCc2ccccc2F)c1 ZINC000037978653 188177544 /nfs/dbraw/zinc/17/75/44/188177544.db2.gz QWIPJUILUBLNHO-UHFFFAOYSA-N 0 1 243.325 3.732 20 0 BHADMN Cc1cc(C)cc(CN[C@@H](C)c2ccccn2)c1 ZINC000037978966 343363476 /nfs/dbraw/zinc/36/34/76/343363476.db2.gz LNJRKYSREVISOJ-AWEZNQCLSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1cc(C)cc(CN[C@H](C)c2ccccn2)c1 ZINC000037978967 343363760 /nfs/dbraw/zinc/36/37/60/343363760.db2.gz LNJRKYSREVISOJ-CQSZACIVSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1cc(C)cc(CN[C@@H](C)c2ccco2)c1 ZINC000037979112 188290169 /nfs/dbraw/zinc/29/01/69/188290169.db2.gz XFCAKUMBAWVQLH-ZDUSSCGKSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1cc(C)cc(CN[C@H](C)c2ccco2)c1 ZINC000037979113 538964858 /nfs/dbraw/zinc/96/48/58/538964858.db2.gz XFCAKUMBAWVQLH-CYBMUJFWSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1csc(CN[C@H](C)c2ccccc2C)n1 ZINC000038090681 343370173 /nfs/dbraw/zinc/37/01/73/343370173.db2.gz INWMTIPSLVSDSR-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1csc(CN[C@@H](C)c2ccccc2C)n1 ZINC000038090682 343370078 /nfs/dbraw/zinc/37/00/78/343370078.db2.gz INWMTIPSLVSDSR-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN CC[C@H](NCc1nc(C)cs1)c1ccccc1 ZINC000038090733 343370162 /nfs/dbraw/zinc/37/01/62/343370162.db2.gz DRIQLWWLRIFHMD-ZDUSSCGKSA-N 0 1 246.379 3.692 20 0 BHADMN CC[C@@H](NCc1nc(C)cs1)c1ccccc1 ZINC000038090734 343370507 /nfs/dbraw/zinc/37/05/07/343370507.db2.gz DRIQLWWLRIFHMD-CYBMUJFWSA-N 0 1 246.379 3.692 20 0 BHADMN C[C@H](NCc1cccn1C)c1ccccc1Cl ZINC000040176540 386563125 /nfs/dbraw/zinc/56/31/25/386563125.db2.gz CEUCYUTXYGTHMJ-NSHDSACASA-N 0 1 248.757 3.529 20 0 BHADMN C[C@@H](NCc1cccn1C)c1ccccc1Cl ZINC000040176541 352554324 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BHADMN CCc1nc(C[N@@H+](C)[C@@H](C)CC(C)C)cs1 ZINC000045770055 342919198 /nfs/dbraw/zinc/91/91/98/342919198.db2.gz FZSXBNXOFOIYOF-NSHDSACASA-N 0 1 240.416 3.572 20 0 BHADMN CCc1nc(CN(C)[C@H](C)CC(C)C)cs1 ZINC000045770056 342919026 /nfs/dbraw/zinc/91/90/26/342919026.db2.gz FZSXBNXOFOIYOF-LLVKDONJSA-N 0 1 240.416 3.572 20 0 BHADMN CCc1nc(C[N@@H+](C)[C@H](C)CC(C)C)cs1 ZINC000045770056 342919024 /nfs/dbraw/zinc/91/90/24/342919024.db2.gz FZSXBNXOFOIYOF-LLVKDONJSA-N 0 1 240.416 3.572 20 0 BHADMN CCN(Cc1csc(C(C)C)n1)CC(C)C ZINC000046064162 388006837 /nfs/dbraw/zinc/00/68/37/388006837.db2.gz DFYAUVAHXHPFPQ-UHFFFAOYSA-N 0 1 240.416 3.744 20 0 BHADMN CCCc1nc(CN(CC)CC(C)C)cs1 ZINC000046064755 541380362 /nfs/dbraw/zinc/38/03/62/541380362.db2.gz ICBNKGVLUNYQKI-UHFFFAOYSA-N 0 1 240.416 3.574 20 0 BHADMN Cl/C=C/CN1CCC[C@H]1c1ccsc1 ZINC000046088863 368435386 /nfs/dbraw/zinc/43/53/86/368435386.db2.gz IPYMNVQICYUZFY-DGXRNCNBSA-N 0 1 227.760 3.638 20 0 BHADMN Cl/C=C/CN1CCC[C@@H]1c1ccsc1 ZINC000046088865 368436354 /nfs/dbraw/zinc/43/63/54/368436354.db2.gz IPYMNVQICYUZFY-XGQHYKRYSA-N 0 1 227.760 3.638 20 0 BHADMN CCCN(Cc1ccco1)Cc1cccs1 ZINC000047698907 343441924 /nfs/dbraw/zinc/44/19/24/343441924.db2.gz CQOBPGQTGACPLW-UHFFFAOYSA-N 0 1 235.352 3.753 20 0 BHADMN CC(C)c1nc(CN(C)C2CCCC2)cs1 ZINC000047723717 397975876 /nfs/dbraw/zinc/97/58/76/397975876.db2.gz AWDNTJPYTUACRQ-UHFFFAOYSA-N 0 1 238.400 3.641 20 0 BHADMN Cc1ccc([C@@H](C)N(C)C/C=C/Cl)cc1 ZINC000047959707 643689755 /nfs/dbraw/zinc/68/97/55/643689755.db2.gz JHOCQRRYVYMAAP-OXFRDRNISA-N 0 1 223.747 3.740 20 0 BHADMN Cc1ccc([C@H](C)N(C)C/C=C/Cl)cc1 ZINC000047959708 641671360 /nfs/dbraw/zinc/67/13/60/641671360.db2.gz JHOCQRRYVYMAAP-KFRNIWOLSA-N 0 1 223.747 3.740 20 0 BHADMN Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000047960035 487881530 /nfs/dbraw/zinc/88/15/30/487881530.db2.gz GPIJKWSYTCQNTF-ZBFHGGJFSA-N 0 1 247.382 3.557 20 0 BHADMN Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000047960036 487880998 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BHADMN CCCN(C)Cc1cccc(Cl)c1Cl ZINC000060961071 411439742 /nfs/dbraw/zinc/43/97/42/411439742.db2.gz APOOJIGMVVAFDU-UHFFFAOYSA-N 0 1 232.154 3.835 20 0 BHADMN CCCN(C)Cc1ccc(Cl)cc1Cl ZINC000060972553 368556745 /nfs/dbraw/zinc/55/67/45/368556745.db2.gz FTSXYIKVUQBCCY-UHFFFAOYSA-N 0 1 232.154 3.835 20 0 BHADMN Cc1ccsc1CNCc1ccc(Cl)o1 ZINC000061030181 350501032 /nfs/dbraw/zinc/50/10/32/350501032.db2.gz WHQOHKVGFBNBGM-UHFFFAOYSA-N 0 1 241.743 3.593 20 0 BHADMN CCN(C/C=C/Cl)Cc1cccc(Cl)c1 ZINC000061254165 640943284 /nfs/dbraw/zinc/94/32/84/640943284.db2.gz MAHWVPGOCLGIKD-QPJJXVBHSA-N 0 1 244.165 3.914 20 0 BHADMN c1coc(CN[C@@H]2CCCc3sccc32)c1 ZINC000061324183 385111898 /nfs/dbraw/zinc/11/18/98/385111898.db2.gz HOFDUWAWUPJLHU-GFCCVEGCSA-N 0 1 233.336 3.508 20 0 BHADMN c1coc(CN[C@H]2CCCc3sccc32)c1 ZINC000061324186 385113433 /nfs/dbraw/zinc/11/34/33/385113433.db2.gz HOFDUWAWUPJLHU-LBPRGKRZSA-N 0 1 233.336 3.508 20 0 BHADMN CCCCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000061325871 360336988 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BHADMN CC[C@H](NCc1ccoc1)c1ccc(OC)cc1 ZINC000062103404 385158306 /nfs/dbraw/zinc/15/83/06/385158306.db2.gz XTNRFMLYAJXYDK-HNNXBMFYSA-N 0 1 245.322 3.529 20 0 BHADMN CC[C@@H](NCc1ccoc1)c1ccc(OC)cc1 ZINC000062103405 343733395 /nfs/dbraw/zinc/73/33/95/343733395.db2.gz XTNRFMLYAJXYDK-OAHLLOKOSA-N 0 1 245.322 3.529 20 0 BHADMN C[C@H](NCc1ccoc1)c1cc2ccccc2o1 ZINC000062103430 387183169 /nfs/dbraw/zinc/18/31/69/387183169.db2.gz REBMWHRGSSEFDV-NSHDSACASA-N 0 1 241.290 3.877 20 0 BHADMN C[C@@H](NCc1ccoc1)c1cc2ccccc2o1 ZINC000062103431 323983105 /nfs/dbraw/zinc/98/31/05/323983105.db2.gz REBMWHRGSSEFDV-LLVKDONJSA-N 0 1 241.290 3.877 20 0 BHADMN CCOc1ccc([C@@H](C)NCc2ccoc2)cc1 ZINC000062103493 385157691 /nfs/dbraw/zinc/15/76/91/385157691.db2.gz AEDXLNVHZQYKBJ-GFCCVEGCSA-N 0 1 245.322 3.529 20 0 BHADMN CCOc1ccc([C@H](C)NCc2ccoc2)cc1 ZINC000062103494 385158961 /nfs/dbraw/zinc/15/89/61/385158961.db2.gz AEDXLNVHZQYKBJ-LBPRGKRZSA-N 0 1 245.322 3.529 20 0 BHADMN Cc1cc([C@@H](C)NCc2ccoc2)c(C)s1 ZINC000062103519 178229179 /nfs/dbraw/zinc/22/91/79/178229179.db2.gz WUTWQZWOGHOJOD-SNVBAGLBSA-N 0 1 235.352 3.809 20 0 BHADMN Cc1cc([C@H](C)NCc2ccoc2)c(C)s1 ZINC000062103520 178252235 /nfs/dbraw/zinc/25/22/35/178252235.db2.gz WUTWQZWOGHOJOD-JTQLQIEISA-N 0 1 235.352 3.809 20 0 BHADMN C[C@H](NCc1ccoc1)c1ccc(Cl)s1 ZINC000062103525 386566682 /nfs/dbraw/zinc/56/66/82/386566682.db2.gz URMJAEZXBRLPHY-QMMMGPOBSA-N 0 1 241.743 3.845 20 0 BHADMN C[C@@H](NCc1ccoc1)c1ccc(Cl)s1 ZINC000062103526 175905036 /nfs/dbraw/zinc/90/50/36/175905036.db2.gz URMJAEZXBRLPHY-MRVPVSSYSA-N 0 1 241.743 3.845 20 0 BHADMN CC[C@H](NCc1ccoc1)c1ccccc1OC ZINC000062103602 387183326 /nfs/dbraw/zinc/18/33/26/387183326.db2.gz NPBDMWZZMRJYHX-AWEZNQCLSA-N 0 1 245.322 3.529 20 0 BHADMN CC[C@@H](NCc1ccoc1)c1ccccc1OC ZINC000062103603 170903828 /nfs/dbraw/zinc/90/38/28/170903828.db2.gz NPBDMWZZMRJYHX-CQSZACIVSA-N 0 1 245.322 3.529 20 0 BHADMN c1cc(CN[C@@H]2CCSc3ccccc32)co1 ZINC000062103642 385158603 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CC[C@@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000078835946 388685156 /nfs/dbraw/zinc/68/51/56/388685156.db2.gz SXNKHPCGYWSDIN-SNVBAGLBSA-N 0 1 247.367 3.671 20 0 BHADMN CC[C@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000078835953 171356932 /nfs/dbraw/zinc/35/69/32/171356932.db2.gz SXNKHPCGYWSDIN-JTQLQIEISA-N 0 1 247.367 3.671 20 0 BHADMN CCc1n[nH]c(S[C@@H](C)c2cccc(C)c2)n1 ZINC000078956600 344104460 /nfs/dbraw/zinc/10/44/60/344104460.db2.gz AIIGIAFZUVWLPM-JTQLQIEISA-N 0 1 247.367 3.529 20 0 BHADMN CCc1nc(S[C@@H](C)c2cccc(C)c2)n[nH]1 ZINC000078956600 344104457 /nfs/dbraw/zinc/10/44/57/344104457.db2.gz AIIGIAFZUVWLPM-JTQLQIEISA-N 0 1 247.367 3.529 20 0 BHADMN CCc1n[nH]c(S[C@H](C)c2cccc(C)c2)n1 ZINC000078956603 344104318 /nfs/dbraw/zinc/10/43/18/344104318.db2.gz AIIGIAFZUVWLPM-SNVBAGLBSA-N 0 1 247.367 3.529 20 0 BHADMN CCc1nc(S[C@H](C)c2cccc(C)c2)n[nH]1 ZINC000078956603 344104315 /nfs/dbraw/zinc/10/43/15/344104315.db2.gz AIIGIAFZUVWLPM-SNVBAGLBSA-N 0 1 247.367 3.529 20 0 BHADMN 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/nfs/dbraw/zinc/04/64/78/345046478.db2.gz MRZXYHJJSANKRY-NSHDSACASA-N 0 1 240.416 3.887 20 0 BHADMN Cc1ccc(CN(C)[C@@H](C)c2cccc(F)c2)o1 ZINC000079876323 388548452 /nfs/dbraw/zinc/54/84/52/388548452.db2.gz FDLSXEOEGAFOSS-LBPRGKRZSA-N 0 1 247.313 3.920 20 0 BHADMN Cc1ccc(CN(C)[C@H](C)c2cccc(F)c2)o1 ZINC000079876326 388548604 /nfs/dbraw/zinc/54/86/04/388548604.db2.gz FDLSXEOEGAFOSS-GFCCVEGCSA-N 0 1 247.313 3.920 20 0 BHADMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000080121976 370728644 /nfs/dbraw/zinc/72/86/44/370728644.db2.gz XVQLRGVVNPLMOR-WDEREUQCSA-N 0 1 244.338 3.703 20 0 BHADMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccccc1 ZINC000080121983 370728367 /nfs/dbraw/zinc/72/83/67/370728367.db2.gz XVQLRGVVNPLMOR-QWRGUYRKSA-N 0 1 244.338 3.703 20 0 BHADMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccccc1 ZINC000080121988 370728655 /nfs/dbraw/zinc/72/86/55/370728655.db2.gz XVQLRGVVNPLMOR-GHMZBOCLSA-N 0 1 244.338 3.703 20 0 BHADMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccccc1 ZINC000080121994 370728819 /nfs/dbraw/zinc/72/88/19/370728819.db2.gz XVQLRGVVNPLMOR-MNOVXSKESA-N 0 1 244.338 3.703 20 0 BHADMN CC[C@H](N[C@@H](C)c1ccccc1)c1nccs1 ZINC000080262295 135367954 /nfs/dbraw/zinc/36/79/54/135367954.db2.gz PBMPQNSRMGELIA-AAEUAGOBSA-N 0 1 246.379 3.945 20 0 BHADMN CC[C@@H](N[C@@H](C)c1ccccc1)c1nccs1 ZINC000080262297 135368063 /nfs/dbraw/zinc/36/80/63/135368063.db2.gz PBMPQNSRMGELIA-WCQYABFASA-N 0 1 246.379 3.945 20 0 BHADMN CC[C@H](N[C@H](C)c1ccccc1)c1nccs1 ZINC000080262300 535943207 /nfs/dbraw/zinc/94/32/07/535943207.db2.gz PBMPQNSRMGELIA-YPMHNXCESA-N 0 1 246.379 3.945 20 0 BHADMN CC[C@@H](N[C@H](C)c1ccccc1)c1nccs1 ZINC000080262303 535808694 /nfs/dbraw/zinc/80/86/94/535808694.db2.gz PBMPQNSRMGELIA-DGCLKSJQSA-N 0 1 246.379 3.945 20 0 BHADMN C[C@H](NCc1cc[nH]c1)c1ccccc1Cl ZINC000080773304 384518669 /nfs/dbraw/zinc/51/86/69/384518669.db2.gz XVGXWXPRXAKUCU-JTQLQIEISA-N 0 1 234.730 3.519 20 0 BHADMN C[C@@H](NCc1cc[nH]c1)c1ccccc1Cl ZINC000080773306 384519338 /nfs/dbraw/zinc/51/93/38/384519338.db2.gz XVGXWXPRXAKUCU-SNVBAGLBSA-N 0 1 234.730 3.519 20 0 BHADMN CC[C@@H](C)CN(CC)Cc1cccnc1Cl ZINC000080848227 643493319 /nfs/dbraw/zinc/49/33/19/643493319.db2.gz KSBZCNJDSHVVEW-LLVKDONJSA-N 0 1 240.778 3.603 20 0 BHADMN CC[C@H](C)CN(CC)Cc1cccnc1Cl ZINC000080848230 643494036 /nfs/dbraw/zinc/49/40/36/643494036.db2.gz KSBZCNJDSHVVEW-NSHDSACASA-N 0 1 240.778 3.603 20 0 BHADMN Cc1ccc2[nH]c(NCc3cccs3)nc2c1 ZINC000082741382 371029813 /nfs/dbraw/zinc/02/98/13/371029813.db2.gz SEKODWMCBREUEH-UHFFFAOYSA-N 0 1 243.335 3.545 20 0 BHADMN c1cc2cc(NC3CCCC3)ccc2cn1 ZINC000082792221 183374154 /nfs/dbraw/zinc/37/41/54/183374154.db2.gz IHBZBARXRSFHFU-UHFFFAOYSA-N 0 1 212.296 3.589 20 0 BHADMN c1csc(C2(N[C@H]3C=CCCC3)CCCC2)n1 ZINC000083215082 384752612 /nfs/dbraw/zinc/75/26/12/384752612.db2.gz JNDXRTHEVPZJGC-LBPRGKRZSA-N 0 1 248.395 3.611 20 0 BHADMN c1csc(C2(N[C@@H]3C=CCCC3)CCCC2)n1 ZINC000083215084 384752479 /nfs/dbraw/zinc/75/24/79/384752479.db2.gz JNDXRTHEVPZJGC-GFCCVEGCSA-N 0 1 248.395 3.611 20 0 BHADMN Cc1cccc(NC[C@@H](C)c2ccccc2)n1 ZINC000083354871 179146565 /nfs/dbraw/zinc/14/65/65/179146565.db2.gz HDULRMGOLUSTDF-GFCCVEGCSA-N 0 1 226.323 3.606 20 0 BHADMN Cc1cccc(NC[C@H](C)c2ccccc2)n1 ZINC000083354872 179148978 /nfs/dbraw/zinc/14/89/78/179148978.db2.gz HDULRMGOLUSTDF-LBPRGKRZSA-N 0 1 226.323 3.606 20 0 BHADMN Cc1ccnc(NC[C@@H](C)c2ccccc2)c1 ZINC000083354882 387404653 /nfs/dbraw/zinc/40/46/53/387404653.db2.gz PBNUSPJWYFZCTH-CYBMUJFWSA-N 0 1 226.323 3.606 20 0 BHADMN Cc1ccnc(NC[C@H](C)c2ccccc2)c1 ZINC000083354883 387403841 /nfs/dbraw/zinc/40/38/41/387403841.db2.gz PBNUSPJWYFZCTH-ZDUSSCGKSA-N 0 1 226.323 3.606 20 0 BHADMN CCCc1ccc(CNCc2ccco2)cc1 ZINC000083356953 343585796 /nfs/dbraw/zinc/58/57/96/343585796.db2.gz KQIWZVDQAHNQQN-UHFFFAOYSA-N 0 1 229.323 3.522 20 0 BHADMN Cc1ccccc1CNCc1cccc(C)c1F ZINC000083371855 179283276 /nfs/dbraw/zinc/28/32/76/179283276.db2.gz RQHFAMIMKRFQLX-UHFFFAOYSA-N 0 1 243.325 3.732 20 0 BHADMN Cc1cccc(C)c1CNCc1ccccc1F ZINC000083371856 179037261 /nfs/dbraw/zinc/03/72/61/179037261.db2.gz ZPMPNAVVOQDVRS-UHFFFAOYSA-N 0 1 243.325 3.732 20 0 BHADMN Cc1cccc(CN[C@@H](C)c2ccccc2)c1F ZINC000083371867 179098900 /nfs/dbraw/zinc/09/89/00/179098900.db2.gz BGLLRKRUOLDWER-ZDUSSCGKSA-N 0 1 243.325 3.985 20 0 BHADMN Cc1cccc(CN[C@H](C)c2ccccc2)c1F ZINC000083371868 179100216 /nfs/dbraw/zinc/10/02/16/179100216.db2.gz BGLLRKRUOLDWER-CYBMUJFWSA-N 0 1 243.325 3.985 20 0 BHADMN Cc1ccc(CNCc2cccc(C)c2F)cc1 ZINC000083371870 387406625 /nfs/dbraw/zinc/40/66/25/387406625.db2.gz XDWNMNGGXCEXKR-UHFFFAOYSA-N 0 1 243.325 3.732 20 0 BHADMN C[C@H](NCc1cccnc1Cl)c1ccccc1 ZINC000083376171 643443883 /nfs/dbraw/zinc/44/38/83/643443883.db2.gz OKYNICBRWKRJMR-NSHDSACASA-N 0 1 246.741 3.586 20 0 BHADMN C[C@@H](NCc1cccnc1Cl)c1ccccc1 ZINC000083376172 643444366 /nfs/dbraw/zinc/44/43/66/643444366.db2.gz OKYNICBRWKRJMR-LLVKDONJSA-N 0 1 246.741 3.586 20 0 BHADMN C[C@H](NCc1ccncc1Cl)c1ccccc1 ZINC000083376175 388050306 /nfs/dbraw/zinc/05/03/06/388050306.db2.gz QDPRWJVWSBMKPS-NSHDSACASA-N 0 1 246.741 3.586 20 0 BHADMN C[C@@H](NCc1ccncc1Cl)c1ccccc1 ZINC000083376176 388050278 /nfs/dbraw/zinc/05/02/78/388050278.db2.gz QDPRWJVWSBMKPS-LLVKDONJSA-N 0 1 246.741 3.586 20 0 BHADMN Cc1ccc(F)cc1CNCc1ccccc1F ZINC000083376838 387407186 /nfs/dbraw/zinc/40/71/86/387407186.db2.gz ZAQBCQRYAJYLBH-UHFFFAOYSA-N 0 1 247.288 3.563 20 0 BHADMN CCc1ccc(C(C)(C)NCc2ccco2)cc1 ZINC000083477817 388642296 /nfs/dbraw/zinc/64/22/96/388642296.db2.gz WKKIOYKNXPOXLC-UHFFFAOYSA-N 0 1 243.350 3.867 20 0 BHADMN Cc1ccc(CNCc2coc3ccccc23)o1 ZINC000083601938 388056530 /nfs/dbraw/zinc/05/65/30/388056530.db2.gz LXTCIRKWKPCETA-UHFFFAOYSA-N 0 1 241.290 3.624 20 0 BHADMN c1csc(CN[C@@H]2CSc3ccccc32)c1 ZINC000083748733 388060998 /nfs/dbraw/zinc/06/09/98/388060998.db2.gz ILYQBMJMYLMULD-GFCCVEGCSA-N 0 1 247.388 3.685 20 0 BHADMN c1csc(CN[C@H]2CSc3ccccc32)c1 ZINC000083748735 388060066 /nfs/dbraw/zinc/06/00/66/388060066.db2.gz ILYQBMJMYLMULD-LBPRGKRZSA-N 0 1 247.388 3.685 20 0 BHADMN c1ccc(CN[C@@H]2CSc3ccccc32)cc1 ZINC000083748772 388060213 /nfs/dbraw/zinc/06/02/13/388060213.db2.gz XDXQSFIVIKOURJ-CQSZACIVSA-N 0 1 241.359 3.623 20 0 BHADMN c1ccc(CN[C@H]2CSc3ccccc32)cc1 ZINC000083748773 388060118 /nfs/dbraw/zinc/06/01/18/388060118.db2.gz XDXQSFIVIKOURJ-AWEZNQCLSA-N 0 1 241.359 3.623 20 0 BHADMN c1cc(CN[C@@H]2CSc3ccccc32)cs1 ZINC000083748892 388061187 /nfs/dbraw/zinc/06/11/87/388061187.db2.gz RYJYLAFMWYELCP-GFCCVEGCSA-N 0 1 247.388 3.685 20 0 BHADMN c1cc(CN[C@H]2CSc3ccccc32)cs1 ZINC000083748894 388060418 /nfs/dbraw/zinc/06/04/18/388060418.db2.gz RYJYLAFMWYELCP-LBPRGKRZSA-N 0 1 247.388 3.685 20 0 BHADMN CCc1ccccc1CNCc1ccc(Cl)o1 ZINC000084200202 384847433 /nfs/dbraw/zinc/84/74/33/384847433.db2.gz HWRMTHNTNVZLAU-UHFFFAOYSA-N 0 1 249.741 3.785 20 0 BHADMN CCc1ccc(CNCc2ccccc2CC)o1 ZINC000084200572 384846854 /nfs/dbraw/zinc/84/68/54/384846854.db2.gz VOIGBFKVONZKIK-UHFFFAOYSA-N 0 1 243.350 3.694 20 0 BHADMN CC1(C)CCN1Cc1ccccc1C(F)(F)F ZINC000085822119 398290165 /nfs/dbraw/zinc/29/01/65/398290165.db2.gz CCTWKASPFBNVTO-UHFFFAOYSA-N 0 1 243.272 3.690 20 0 BHADMN CC1(C)CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000085822119 398290164 /nfs/dbraw/zinc/29/01/64/398290164.db2.gz CCTWKASPFBNVTO-UHFFFAOYSA-N 0 1 243.272 3.690 20 0 BHADMN Cc1ccc(CNCc2cc(Cl)cs2)o1 ZINC000086332755 644461449 /nfs/dbraw/zinc/46/14/49/644461449.db2.gz LIMFHLAJRARYNH-UHFFFAOYSA-N 0 1 241.743 3.593 20 0 BHADMN Clc1csc(CNCc2ccsc2)c1 ZINC000086332804 384640455 /nfs/dbraw/zinc/64/04/55/384640455.db2.gz BZZHPDQOOTUSBS-UHFFFAOYSA-N 0 1 243.784 3.753 20 0 BHADMN Clc1ncc(CN2CCCCCCC2)s1 ZINC000086776418 385043479 /nfs/dbraw/zinc/04/34/79/385043479.db2.gz DLCMWEXFMUNJQL-UHFFFAOYSA-N 0 1 244.791 3.563 20 0 BHADMN CCCCN(Cc1cnc(Cl)s1)C1CC1 ZINC000086776630 384684251 /nfs/dbraw/zinc/68/42/51/384684251.db2.gz OORRGKYOYQQSRJ-UHFFFAOYSA-N 0 1 244.791 3.561 20 0 BHADMN C[C@@H]1CCCCCN1Cc1cnc(Cl)s1 ZINC000086776939 644178796 /nfs/dbraw/zinc/17/87/96/644178796.db2.gz ZYAWXDGXHYOPIL-SECBINFHSA-N 0 1 244.791 3.561 20 0 BHADMN C[C@H]1CCCCCN1Cc1cnc(Cl)s1 ZINC000086776941 644178939 /nfs/dbraw/zinc/17/89/39/644178939.db2.gz ZYAWXDGXHYOPIL-VIFPVBQESA-N 0 1 244.791 3.561 20 0 BHADMN C[C@H](N[C@@H](C)c1ccccc1)c1ccoc1 ZINC000087289372 322874058 /nfs/dbraw/zinc/87/40/58/322874058.db2.gz YQRBQSRBXPFPML-RYUDHWBXSA-N 0 1 215.296 3.691 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccoc1)c1ccccc1 ZINC000087289373 384928852 /nfs/dbraw/zinc/92/88/52/384928852.db2.gz YQRBQSRBXPFPML-NEPJUHHUSA-N 0 1 215.296 3.691 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccccc1)c1ccoc1 ZINC000087289374 322873889 /nfs/dbraw/zinc/87/38/89/322873889.db2.gz YQRBQSRBXPFPML-NWDGAFQWSA-N 0 1 215.296 3.691 20 0 BHADMN C[C@@H](N[C@H](C)c1ccccc1)c1ccoc1 ZINC000087289375 322874024 /nfs/dbraw/zinc/87/40/24/322874024.db2.gz YQRBQSRBXPFPML-VXGBXAGGSA-N 0 1 215.296 3.691 20 0 BHADMN C[C@H](N[C@@H](C)c1cccs1)c1ccoc1 ZINC000087289620 491067564 /nfs/dbraw/zinc/06/75/64/491067564.db2.gz HIJCBDRCIBBOAU-UWVGGRQHSA-N 0 1 221.325 3.753 20 0 BHADMN C[C@@H](N[C@@H](C)c1cccs1)c1ccoc1 ZINC000087289621 491067584 /nfs/dbraw/zinc/06/75/84/491067584.db2.gz HIJCBDRCIBBOAU-ZJUUUORDSA-N 0 1 221.325 3.753 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccoc1)c1cccs1 ZINC000087289622 491067640 /nfs/dbraw/zinc/06/76/40/491067640.db2.gz HIJCBDRCIBBOAU-VHSXEESVSA-N 0 1 221.325 3.753 20 0 BHADMN C[C@@H](N[C@H](C)c1cccs1)c1ccoc1 ZINC000087289623 491067625 /nfs/dbraw/zinc/06/76/25/491067625.db2.gz HIJCBDRCIBBOAU-NXEZZACHSA-N 0 1 221.325 3.753 20 0 BHADMN C[C@H](NCc1ccc(Cl)cc1)c1ccoc1 ZINC000087289652 385089220 /nfs/dbraw/zinc/08/92/20/385089220.db2.gz BTSDTHXAOUFOPK-JTQLQIEISA-N 0 1 235.714 3.784 20 0 BHADMN C[C@@H](NCc1ccc(Cl)cc1)c1ccoc1 ZINC000087289653 384934985 /nfs/dbraw/zinc/93/49/85/384934985.db2.gz BTSDTHXAOUFOPK-SNVBAGLBSA-N 0 1 235.714 3.784 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccoc2)s1 ZINC000087290132 384759648 /nfs/dbraw/zinc/75/96/48/384759648.db2.gz CCOCNVSMUDCRSU-JTQLQIEISA-N 0 1 221.325 3.500 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccoc2)s1 ZINC000087290133 322876017 /nfs/dbraw/zinc/87/60/17/322876017.db2.gz CCOCNVSMUDCRSU-SNVBAGLBSA-N 0 1 221.325 3.500 20 0 BHADMN C[C@H](NCc1cccc(Cl)c1)c1ccoc1 ZINC000087290170 385088876 /nfs/dbraw/zinc/08/88/76/385088876.db2.gz SKIKSUUEHVJCBG-JTQLQIEISA-N 0 1 235.714 3.784 20 0 BHADMN C[C@@H](NCc1cccc(Cl)c1)c1ccoc1 ZINC000087290171 322963692 /nfs/dbraw/zinc/96/36/92/322963692.db2.gz SKIKSUUEHVJCBG-SNVBAGLBSA-N 0 1 235.714 3.784 20 0 BHADMN C[C@H](N[C@@H](C)c1ccsc1)c1ccoc1 ZINC000087290192 491067728 /nfs/dbraw/zinc/06/77/28/491067728.db2.gz OPIPWRBCFMZDHA-UWVGGRQHSA-N 0 1 221.325 3.753 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccsc1)c1ccoc1 ZINC000087290193 491067772 /nfs/dbraw/zinc/06/77/72/491067772.db2.gz OPIPWRBCFMZDHA-ZJUUUORDSA-N 0 1 221.325 3.753 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccoc1)c1ccsc1 ZINC000087290194 491067704 /nfs/dbraw/zinc/06/77/04/491067704.db2.gz OPIPWRBCFMZDHA-VHSXEESVSA-N 0 1 221.325 3.753 20 0 BHADMN C[C@@H](N[C@H](C)c1ccsc1)c1ccoc1 ZINC000087290195 491067761 /nfs/dbraw/zinc/06/77/61/491067761.db2.gz OPIPWRBCFMZDHA-NXEZZACHSA-N 0 1 221.325 3.753 20 0 BHADMN C[C@H](NCc1ccc(Cl)s1)c1ccoc1 ZINC000087290302 491067744 /nfs/dbraw/zinc/06/77/44/491067744.db2.gz JPSUOOIMJIKVAO-QMMMGPOBSA-N 0 1 241.743 3.845 20 0 BHADMN C[C@@H](NCc1ccc(Cl)s1)c1ccoc1 ZINC000087290303 491067768 /nfs/dbraw/zinc/06/77/68/491067768.db2.gz JPSUOOIMJIKVAO-MRVPVSSYSA-N 0 1 241.743 3.845 20 0 BHADMN CCc1ccc(CNCc2sccc2C)o1 ZINC000087308621 359906137 /nfs/dbraw/zinc/90/61/37/359906137.db2.gz POKDHHAXRWSNHQ-UHFFFAOYSA-N 0 1 235.352 3.502 20 0 BHADMN Cc1cscc1CN[C@@H](C)c1ccoc1 ZINC000087309174 322883043 /nfs/dbraw/zinc/88/30/43/322883043.db2.gz YWQOSHMVSLGKPF-JTQLQIEISA-N 0 1 221.325 3.500 20 0 BHADMN Cc1cscc1CN[C@H](C)c1ccoc1 ZINC000087309175 384966096 /nfs/dbraw/zinc/96/60/96/384966096.db2.gz YWQOSHMVSLGKPF-SNVBAGLBSA-N 0 1 221.325 3.500 20 0 BHADMN CCc1ccc(CNCc2cscc2C)o1 ZINC000087309504 135121603 /nfs/dbraw/zinc/12/16/03/135121603.db2.gz YGGZZDVDQHWHCF-UHFFFAOYSA-N 0 1 235.352 3.502 20 0 BHADMN Cc1ccc([C@@H](C)NCc2cscc2C)o1 ZINC000087309527 135122078 /nfs/dbraw/zinc/12/20/78/135122078.db2.gz LVBSRWGLLBDFSN-LLVKDONJSA-N 0 1 235.352 3.809 20 0 BHADMN Cc1ccc([C@H](C)NCc2cscc2C)o1 ZINC000087309528 135122069 /nfs/dbraw/zinc/12/20/69/135122069.db2.gz LVBSRWGLLBDFSN-NSHDSACASA-N 0 1 235.352 3.809 20 0 BHADMN Cc1cscc1CNCc1ccc(Cl)o1 ZINC000087309585 135122472 /nfs/dbraw/zinc/12/24/72/135122472.db2.gz HRXSZKMNPHZERF-UHFFFAOYSA-N 0 1 241.743 3.593 20 0 BHADMN Cc1cscc1CN[C@@H](C)c1ccco1 ZINC000087309643 135122568 /nfs/dbraw/zinc/12/25/68/135122568.db2.gz RNNUENICQQNUJA-JTQLQIEISA-N 0 1 221.325 3.500 20 0 BHADMN Cc1cscc1CN[C@H](C)c1ccco1 ZINC000087309644 135122837 /nfs/dbraw/zinc/12/28/37/135122837.db2.gz RNNUENICQQNUJA-SNVBAGLBSA-N 0 1 221.325 3.500 20 0 BHADMN Clc1ccsc1CNCc1cccs1 ZINC000087721112 135166376 /nfs/dbraw/zinc/16/63/76/135166376.db2.gz MWJCRXDLJWXFLR-UHFFFAOYSA-N 0 1 243.784 3.753 20 0 BHADMN Clc1ccsc1CNCc1ccccc1 ZINC000087721116 135166120 /nfs/dbraw/zinc/16/61/20/135166120.db2.gz UPYRMRDEFLPJOY-UHFFFAOYSA-N 0 1 237.755 3.691 20 0 BHADMN Cc1cc(Cl)cc(CNCc2ccco2)c1 ZINC000088139594 351630078 /nfs/dbraw/zinc/63/00/78/351630078.db2.gz IMXLVRDXXCWUPQ-UHFFFAOYSA-N 0 1 235.714 3.531 20 0 BHADMN Cc1ccc([C@@H](C)NCc2ccco2)cc1F ZINC000088250151 359942086 /nfs/dbraw/zinc/94/20/86/359942086.db2.gz DWELAZHOYDTFSK-LLVKDONJSA-N 0 1 233.286 3.578 20 0 BHADMN Cc1ccc([C@H](C)NCc2ccco2)cc1F ZINC000088250152 359942949 /nfs/dbraw/zinc/94/29/49/359942949.db2.gz DWELAZHOYDTFSK-NSHDSACASA-N 0 1 233.286 3.578 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccc(C)c(F)c2)o1 ZINC000088255087 359942627 /nfs/dbraw/zinc/94/26/27/359942627.db2.gz ICAZUBCDIJVBLH-GFCCVEGCSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000088255088 135518021 /nfs/dbraw/zinc/51/80/21/135518021.db2.gz ICAZUBCDIJVBLH-LBPRGKRZSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1ccc([C@@H](C)NCc2ccoc2)cc1F ZINC000088511546 644522283 /nfs/dbraw/zinc/52/22/83/644522283.db2.gz QZTYYUALTIRPON-LLVKDONJSA-N 0 1 233.286 3.578 20 0 BHADMN Cc1ccc([C@H](C)NCc2ccoc2)cc1F ZINC000088511549 644521954 /nfs/dbraw/zinc/52/19/54/644521954.db2.gz QZTYYUALTIRPON-NSHDSACASA-N 0 1 233.286 3.578 20 0 BHADMN Cc1ccoc1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000088765799 383924803 /nfs/dbraw/zinc/92/48/03/383924803.db2.gz BMLXRVAIQUZYAI-GFCCVEGCSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1ccoc1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000088765801 383922868 /nfs/dbraw/zinc/92/28/68/383922868.db2.gz BMLXRVAIQUZYAI-LBPRGKRZSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1cc(CN[C@@H](C)c2ccsc2)c(C)o1 ZINC000089725784 642036811 /nfs/dbraw/zinc/03/68/11/642036811.db2.gz MNONWNOQTBEZAJ-JTQLQIEISA-N 0 1 235.352 3.809 20 0 BHADMN Cc1cc(CN[C@H](C)c2ccsc2)c(C)o1 ZINC000089725785 642039168 /nfs/dbraw/zinc/03/91/68/642039168.db2.gz MNONWNOQTBEZAJ-SNVBAGLBSA-N 0 1 235.352 3.809 20 0 BHADMN Cc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)nc1 ZINC000090065916 388745018 /nfs/dbraw/zinc/74/50/18/388745018.db2.gz GHNRJMDBHYIRKT-UHFFFAOYSA-N 0 1 237.306 3.550 20 0 BHADMN C[C@H](N[C@H]1C=CCCC1)c1c(F)cccc1F ZINC000090393523 345567984 /nfs/dbraw/zinc/56/79/84/345567984.db2.gz GSFOXLJIDIBLLM-QWRGUYRKSA-N 0 1 237.293 3.724 20 0 BHADMN C[C@@H](N[C@H]1C=CCCC1)c1c(F)cccc1F ZINC000090393524 345567573 /nfs/dbraw/zinc/56/75/73/345567573.db2.gz GSFOXLJIDIBLLM-MNOVXSKESA-N 0 1 237.293 3.724 20 0 BHADMN C[C@H](N[C@@H]1C=CCCC1)c1c(F)cccc1F ZINC000090393525 345568066 /nfs/dbraw/zinc/56/80/66/345568066.db2.gz GSFOXLJIDIBLLM-WDEREUQCSA-N 0 1 237.293 3.724 20 0 BHADMN C[C@@H](N[C@@H]1C=CCCC1)c1c(F)cccc1F ZINC000090393526 345567798 /nfs/dbraw/zinc/56/77/98/345567798.db2.gz GSFOXLJIDIBLLM-GHMZBOCLSA-N 0 1 237.293 3.724 20 0 BHADMN C[C@H](NCc1ccn(C)c1)c1ccccc1Cl ZINC000091007199 176879848 /nfs/dbraw/zinc/87/98/48/176879848.db2.gz YPVPFNLVEOCKMY-NSHDSACASA-N 0 1 248.757 3.529 20 0 BHADMN C[C@@H](NCc1ccn(C)c1)c1ccccc1Cl ZINC000091007200 384089045 /nfs/dbraw/zinc/08/90/45/384089045.db2.gz YPVPFNLVEOCKMY-LLVKDONJSA-N 0 1 248.757 3.529 20 0 BHADMN C=CCCC[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000091619344 644634703 /nfs/dbraw/zinc/63/47/03/644634703.db2.gz OVJKLLHNKGXBQE-ZDUSSCGKSA-N 0 1 233.355 3.569 20 0 BHADMN C=CCCC[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000091619345 644633352 /nfs/dbraw/zinc/63/33/52/644633352.db2.gz OVJKLLHNKGXBQE-CYBMUJFWSA-N 0 1 233.355 3.569 20 0 BHADMN C[C@@H](c1ccccn1)[N@@H+](C)CCC(C)(C)C ZINC000091703958 176026274 /nfs/dbraw/zinc/02/62/74/176026274.db2.gz RLYINMBMDQBRJM-LBPRGKRZSA-N 0 1 220.360 3.511 20 0 BHADMN CC[C@@H]1c2ccsc2CCN1Cc1ccco1 ZINC000091897948 360135196 /nfs/dbraw/zinc/13/51/96/360135196.db2.gz HPIQDHWHKRIVEP-CYBMUJFWSA-N 0 1 247.363 3.851 20 0 BHADMN CC[C@H]1c2ccsc2CCN1Cc1ccco1 ZINC000091897951 360135356 /nfs/dbraw/zinc/13/53/56/360135356.db2.gz HPIQDHWHKRIVEP-ZDUSSCGKSA-N 0 1 247.363 3.851 20 0 BHADMN CC[C@@H]1c2ccsc2CCN1Cc1ccoc1 ZINC000091898060 644641467 /nfs/dbraw/zinc/64/14/67/644641467.db2.gz XGZPIJMEAQZPRH-CYBMUJFWSA-N 0 1 247.363 3.851 20 0 BHADMN CC[C@H]1c2ccsc2CCN1Cc1ccoc1 ZINC000091898063 644642040 /nfs/dbraw/zinc/64/20/40/644642040.db2.gz XGZPIJMEAQZPRH-ZDUSSCGKSA-N 0 1 247.363 3.851 20 0 BHADMN CC(C)c1ncc(C[N@@H+]2[C@H](C)CC[C@@H]2C)s1 ZINC000091937383 360137120 /nfs/dbraw/zinc/13/71/20/360137120.db2.gz IDCUKPGDUMEWIB-PHIMTYICSA-N 0 1 238.400 3.639 20 0 BHADMN CCN(Cc1ccco1)[C@@H](C)c1cccc(O)c1 ZINC000091975186 344287212 /nfs/dbraw/zinc/28/72/12/344287212.db2.gz PNZITKSGTHYJLI-LBPRGKRZSA-N 0 1 245.322 3.568 20 0 BHADMN CC[N@@H+](Cc1ccco1)[C@@H](C)c1cccc(O)c1 ZINC000091975186 344287210 /nfs/dbraw/zinc/28/72/10/344287210.db2.gz PNZITKSGTHYJLI-LBPRGKRZSA-N 0 1 245.322 3.568 20 0 BHADMN CCN(Cc1ccco1)[C@H](C)c1cccc(O)c1 ZINC000091975187 344286958 /nfs/dbraw/zinc/28/69/58/344286958.db2.gz PNZITKSGTHYJLI-GFCCVEGCSA-N 0 1 245.322 3.568 20 0 BHADMN CC[N@@H+](Cc1ccco1)[C@H](C)c1cccc(O)c1 ZINC000091975187 344286955 /nfs/dbraw/zinc/28/69/55/344286955.db2.gz PNZITKSGTHYJLI-GFCCVEGCSA-N 0 1 245.322 3.568 20 0 BHADMN CCN(Cc1ccoc1)[C@@H](C)c1cccc(O)c1 ZINC000091975264 631546379 /nfs/dbraw/zinc/54/63/79/631546379.db2.gz VNJHMORVKZSMCJ-LBPRGKRZSA-N 0 1 245.322 3.568 20 0 BHADMN CCN(Cc1ccoc1)[C@H](C)c1cccc(O)c1 ZINC000091975265 644644577 /nfs/dbraw/zinc/64/45/77/644644577.db2.gz VNJHMORVKZSMCJ-GFCCVEGCSA-N 0 1 245.322 3.568 20 0 BHADMN C[C@H](N[C@@H](C)c1ccc(F)cn1)c1ccccc1 ZINC000092194946 176890009 /nfs/dbraw/zinc/89/00/09/176890009.db2.gz CDJQIVPHIMFZEI-RYUDHWBXSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccc(F)cn1)c1ccccc1 ZINC000092194949 176914627 /nfs/dbraw/zinc/91/46/27/176914627.db2.gz CDJQIVPHIMFZEI-NEPJUHHUSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccccc1)c1ccc(F)cn1 ZINC000092194951 384166971 /nfs/dbraw/zinc/16/69/71/384166971.db2.gz CDJQIVPHIMFZEI-NWDGAFQWSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@@H](N[C@H](C)c1ccc(F)cn1)c1ccccc1 ZINC000092194953 384166705 /nfs/dbraw/zinc/16/67/05/384166705.db2.gz CDJQIVPHIMFZEI-VXGBXAGGSA-N 0 1 244.313 3.633 20 0 BHADMN Cc1ccc(CN(C)Cc2ccoc2C)s1 ZINC000092438539 387212440 /nfs/dbraw/zinc/21/24/40/387212440.db2.gz XSNOWXQQPDENFE-UHFFFAOYSA-N 0 1 235.352 3.590 20 0 BHADMN Cc1occc1CN(C)Cc1ccc(F)cc1C ZINC000092438672 178086287 /nfs/dbraw/zinc/08/62/87/178086287.db2.gz COWQTUGQTLJKNJ-UHFFFAOYSA-N 0 1 247.313 3.668 20 0 BHADMN Cc1ccsc1CN(C)Cc1ccoc1C ZINC000092438713 387212814 /nfs/dbraw/zinc/21/28/14/387212814.db2.gz UATFAJUQOYZIBZ-UHFFFAOYSA-N 0 1 235.352 3.590 20 0 BHADMN Cc1cccc(CN(C)CCC(F)(F)F)c1C ZINC000092478762 398306278 /nfs/dbraw/zinc/30/62/78/398306278.db2.gz UFZNGHWXPLWCPI-UHFFFAOYSA-N 0 1 245.288 3.688 20 0 BHADMN Cc1cc(CN(C)CCC(F)(F)F)ccc1F ZINC000092478798 387213830 /nfs/dbraw/zinc/21/38/30/387213830.db2.gz CWKOXZSMIOUKFL-UHFFFAOYSA-N 0 1 249.251 3.518 20 0 BHADMN Cc1cc(F)ccc1CN(C)CCC(F)(F)F ZINC000092479084 345624553 /nfs/dbraw/zinc/62/45/53/345624553.db2.gz HRVGLOAGMBPNQQ-UHFFFAOYSA-N 0 1 249.251 3.518 20 0 BHADMN Cc1ccc(CN(C)CCC(F)(F)F)cc1C ZINC000092479347 398306683 /nfs/dbraw/zinc/30/66/83/398306683.db2.gz UJIADFHMTJGGHN-UHFFFAOYSA-N 0 1 245.288 3.688 20 0 BHADMN Cc1ccc(CN(C)CCC(F)(F)F)cc1F ZINC000092479795 345624834 /nfs/dbraw/zinc/62/48/34/345624834.db2.gz XIGZHQNSAUSQQP-UHFFFAOYSA-N 0 1 249.251 3.518 20 0 BHADMN CCc1ncc(C[N@H+](CC)[C@@H](C)C(C)C)s1 ZINC000092590134 345640788 /nfs/dbraw/zinc/64/07/88/345640788.db2.gz CTCFMLLWGIJTME-NSHDSACASA-N 0 1 240.416 3.572 20 0 BHADMN CCc1ncc(C[N@H+](CC)[C@H](C)C(C)C)s1 ZINC000092590136 345640936 /nfs/dbraw/zinc/64/09/36/345640936.db2.gz CTCFMLLWGIJTME-LLVKDONJSA-N 0 1 240.416 3.572 20 0 BHADMN CCN(CCC(F)(F)F)Cc1cc(C)oc1C ZINC000092753814 644666069 /nfs/dbraw/zinc/66/60/69/644666069.db2.gz ZHPGEWYVBXSTON-UHFFFAOYSA-N 0 1 249.276 3.671 20 0 BHADMN CCN(CCC(F)(F)F)Cc1ccsc1 ZINC000092753885 538107701 /nfs/dbraw/zinc/10/77/01/538107701.db2.gz GGYAEMJTJXZQPC-UHFFFAOYSA-N 0 1 237.290 3.522 20 0 BHADMN CCN(Cc1ccoc1)Cc1ccc(C)s1 ZINC000092935820 538108003 /nfs/dbraw/zinc/10/80/03/538108003.db2.gz JSGWUCMIEBXIRE-UHFFFAOYSA-N 0 1 235.352 3.672 20 0 BHADMN CCN(Cc1ccoc1)Cc1sccc1C ZINC000092935858 538108256 /nfs/dbraw/zinc/10/82/56/538108256.db2.gz VWPDLMKWNMLHCI-UHFFFAOYSA-N 0 1 235.352 3.672 20 0 BHADMN Cc1ccc(CN(C)Cc2occc2C)s1 ZINC000093049398 135587722 /nfs/dbraw/zinc/58/77/22/135587722.db2.gz NPMCVAPEDIASLO-UHFFFAOYSA-N 0 1 235.352 3.590 20 0 BHADMN Fc1ccc2c(c1)[C@H](NCc1ccco1)CCC2 ZINC000093115813 345657196 /nfs/dbraw/zinc/65/71/96/345657196.db2.gz QIDAIXTVKSYSMJ-OAHLLOKOSA-N 0 1 245.297 3.586 20 0 BHADMN Fc1ccc2c(c1)[C@@H](NCc1ccco1)CCC2 ZINC000093115816 345657073 /nfs/dbraw/zinc/65/70/73/345657073.db2.gz QIDAIXTVKSYSMJ-HNNXBMFYSA-N 0 1 245.297 3.586 20 0 BHADMN Fc1ccc2c(c1)[C@H](NCc1ccoc1)CCC2 ZINC000093116129 345656850 /nfs/dbraw/zinc/65/68/50/345656850.db2.gz QXWMHUJQYJKBMG-OAHLLOKOSA-N 0 1 245.297 3.586 20 0 BHADMN Fc1ccc2c(c1)[C@@H](NCc1ccoc1)CCC2 ZINC000093116130 345657211 /nfs/dbraw/zinc/65/72/11/345657211.db2.gz QXWMHUJQYJKBMG-HNNXBMFYSA-N 0 1 245.297 3.586 20 0 BHADMN Cc1cccnc1CN(C)[C@@H](C)c1cccs1 ZINC000093159347 179373562 /nfs/dbraw/zinc/37/35/62/179373562.db2.gz KWJDSEOVKROKSM-LBPRGKRZSA-N 0 1 246.379 3.645 20 0 BHADMN Cc1cccnc1CN(C)[C@H](C)c1cccs1 ZINC000093159348 179374372 /nfs/dbraw/zinc/37/43/72/179374372.db2.gz KWJDSEOVKROKSM-GFCCVEGCSA-N 0 1 246.379 3.645 20 0 BHADMN C[C@@H](c1cccc(O)c1)N(C)Cc1cccs1 ZINC000093315464 176019423 /nfs/dbraw/zinc/01/94/23/176019423.db2.gz MAMGGKAJXFWHKI-NSHDSACASA-N 0 1 247.363 3.647 20 0 BHADMN C[C@H](c1cccc(O)c1)N(C)Cc1cccs1 ZINC000093315467 177037900 /nfs/dbraw/zinc/03/79/00/177037900.db2.gz MAMGGKAJXFWHKI-LLVKDONJSA-N 0 1 247.363 3.647 20 0 BHADMN C[C@@H](c1cccc(O)c1)N(C)Cc1ccsc1 ZINC000093316209 360229163 /nfs/dbraw/zinc/22/91/63/360229163.db2.gz TUHFXPPLBORWTR-NSHDSACASA-N 0 1 247.363 3.647 20 0 BHADMN C[C@H](c1cccc(O)c1)N(C)Cc1ccsc1 ZINC000093316213 360229061 /nfs/dbraw/zinc/22/90/61/360229061.db2.gz TUHFXPPLBORWTR-LLVKDONJSA-N 0 1 247.363 3.647 20 0 BHADMN Clc1ccc(CN2CCC3(CCCC3)C2)o1 ZINC000093336541 631569121 /nfs/dbraw/zinc/56/91/21/631569121.db2.gz RHBFDWJEDALTAT-UHFFFAOYSA-N 0 1 239.746 3.699 20 0 BHADMN c1coc(CN2CCCCC[C@@H]2c2ccco2)c1 ZINC000093441624 360243615 /nfs/dbraw/zinc/24/36/15/360243615.db2.gz APJDEXRXFNWBRC-CQSZACIVSA-N 0 1 245.322 3.990 20 0 BHADMN c1coc(CN2CCCCC[C@H]2c2ccco2)c1 ZINC000093441625 360242429 /nfs/dbraw/zinc/24/24/29/360242429.db2.gz APJDEXRXFNWBRC-AWEZNQCLSA-N 0 1 245.322 3.990 20 0 BHADMN c1coc([C@@H]2CCCCCN2Cc2ccoc2)c1 ZINC000093441732 643337004 /nfs/dbraw/zinc/33/70/04/643337004.db2.gz APPKJOVLBOQQQZ-AWEZNQCLSA-N 0 1 245.322 3.990 20 0 BHADMN c1coc([C@H]2CCCCCN2Cc2ccoc2)c1 ZINC000093441733 643335800 /nfs/dbraw/zinc/33/58/00/643335800.db2.gz APPKJOVLBOQQQZ-CQSZACIVSA-N 0 1 245.322 3.990 20 0 BHADMN c1coc(CN2CC=C(c3cccs3)CC2)c1 ZINC000093533708 360256175 /nfs/dbraw/zinc/25/61/75/360256175.db2.gz AXSUGMCHRFTGLM-UHFFFAOYSA-N 0 1 245.347 3.630 20 0 BHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000093809418 360280221 /nfs/dbraw/zinc/28/02/21/360280221.db2.gz SIBXOPFTLSZJJS-LBPRGKRZSA-N 0 1 238.400 3.544 20 0 BHADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000093809419 360280048 /nfs/dbraw/zinc/28/00/48/360280048.db2.gz SIBXOPFTLSZJJS-GFCCVEGCSA-N 0 1 238.400 3.544 20 0 BHADMN C[C@@H]1CCN(Cc2ccco2)[C@H](c2ccco2)C1 ZINC000093811839 360279692 /nfs/dbraw/zinc/27/96/92/360279692.db2.gz CJIBMCYQXPVGLF-OCCSQVGLSA-N 0 1 245.322 3.846 20 0 BHADMN C[C@H]1CCN(Cc2ccco2)[C@H](c2ccco2)C1 ZINC000093811840 360279720 /nfs/dbraw/zinc/27/97/20/360279720.db2.gz CJIBMCYQXPVGLF-JSGCOSHPSA-N 0 1 245.322 3.846 20 0 BHADMN C[C@@H]1CCN(Cc2ccoc2)[C@H](c2ccco2)C1 ZINC000093811955 644699858 /nfs/dbraw/zinc/69/98/58/644699858.db2.gz SPCQDHYPNHASJT-OCCSQVGLSA-N 0 1 245.322 3.846 20 0 BHADMN C[C@H]1CCN(Cc2ccoc2)[C@H](c2ccco2)C1 ZINC000093811956 644700281 /nfs/dbraw/zinc/70/02/81/644700281.db2.gz SPCQDHYPNHASJT-JSGCOSHPSA-N 0 1 245.322 3.846 20 0 BHADMN Cc1ccoc1CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000093867544 345666683 /nfs/dbraw/zinc/66/66/83/345666683.db2.gz SWVSFEWSWHENQB-XJKSGUPXSA-N 0 1 241.334 3.781 20 0 BHADMN Cc1ccoc1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000093867545 345666609 /nfs/dbraw/zinc/66/66/09/345666609.db2.gz SWVSFEWSWHENQB-CZUORRHYSA-N 0 1 241.334 3.781 20 0 BHADMN Cc1ccc(CNCc2cccc(C3CC3)c2)o1 ZINC000094519693 487537795 /nfs/dbraw/zinc/53/77/95/487537795.db2.gz ULFAGMIWJYZAIM-UHFFFAOYSA-N 0 1 241.334 3.755 20 0 BHADMN Cc1ccc(CNCc2ccc(C3CC3)cc2)o1 ZINC000094519694 360311182 /nfs/dbraw/zinc/31/11/82/360311182.db2.gz FKXIODYPBWZFHL-UHFFFAOYSA-N 0 1 241.334 3.755 20 0 BHADMN Cc1ccc(CNCc2ccccc2C2CC2)o1 ZINC000094519695 487538548 /nfs/dbraw/zinc/53/85/48/487538548.db2.gz SMQPEMHEDSLXON-UHFFFAOYSA-N 0 1 241.334 3.755 20 0 BHADMN COc1ccccc1[C@H](C)N[C@@H](C)c1ccoc1 ZINC000094867538 583171200 /nfs/dbraw/zinc/17/12/00/583171200.db2.gz CMQZORQOCPVEQJ-RYUDHWBXSA-N 0 1 245.322 3.700 20 0 BHADMN COc1ccccc1[C@H](C)N[C@H](C)c1ccoc1 ZINC000094867539 583171170 /nfs/dbraw/zinc/17/11/70/583171170.db2.gz CMQZORQOCPVEQJ-NEPJUHHUSA-N 0 1 245.322 3.700 20 0 BHADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccoc1 ZINC000094867540 583171357 /nfs/dbraw/zinc/17/13/57/583171357.db2.gz CMQZORQOCPVEQJ-NWDGAFQWSA-N 0 1 245.322 3.700 20 0 BHADMN COc1ccccc1[C@@H](C)N[C@H](C)c1ccoc1 ZINC000094867541 583171354 /nfs/dbraw/zinc/17/13/54/583171354.db2.gz CMQZORQOCPVEQJ-VXGBXAGGSA-N 0 1 245.322 3.700 20 0 BHADMN C[C@H](N[C@@H]1CCCc2occc21)c1ccoc1 ZINC000094867762 360324271 /nfs/dbraw/zinc/32/42/71/360324271.db2.gz ZVCKZLPTPMGTOF-GXFFZTMASA-N 0 1 231.295 3.601 20 0 BHADMN C[C@@H](N[C@@H]1CCCc2occc21)c1ccoc1 ZINC000094867763 360323759 /nfs/dbraw/zinc/32/37/59/360323759.db2.gz ZVCKZLPTPMGTOF-ZWNOBZJWSA-N 0 1 231.295 3.601 20 0 BHADMN C[C@H](N[C@H]1CCCc2occc21)c1ccoc1 ZINC000094867764 360323894 /nfs/dbraw/zinc/32/38/94/360323894.db2.gz ZVCKZLPTPMGTOF-GWCFXTLKSA-N 0 1 231.295 3.601 20 0 BHADMN C[C@@H](N[C@H]1CCCc2occc21)c1ccoc1 ZINC000094867765 360324159 /nfs/dbraw/zinc/32/41/59/360324159.db2.gz ZVCKZLPTPMGTOF-MFKMUULPSA-N 0 1 231.295 3.601 20 0 BHADMN CCOc1cccc(CN[C@@H](C)c2ccoc2)c1 ZINC000094868880 322977577 /nfs/dbraw/zinc/97/75/77/322977577.db2.gz HSQGHOAYWOIMNL-LBPRGKRZSA-N 0 1 245.322 3.529 20 0 BHADMN CCOc1cccc(CN[C@H](C)c2ccoc2)c1 ZINC000094868881 384990017 /nfs/dbraw/zinc/99/00/17/384990017.db2.gz HSQGHOAYWOIMNL-GFCCVEGCSA-N 0 1 245.322 3.529 20 0 BHADMN COc1cccc([C@H](C)N[C@@H](C)c2ccoc2)c1 ZINC000094868920 325791161 /nfs/dbraw/zinc/79/11/61/325791161.db2.gz UULIILNJNCUUEK-RYUDHWBXSA-N 0 1 245.322 3.700 20 0 BHADMN COc1cccc([C@@H](C)N[C@@H](C)c2ccoc2)c1 ZINC000094868921 388874265 /nfs/dbraw/zinc/87/42/65/388874265.db2.gz UULIILNJNCUUEK-NEPJUHHUSA-N 0 1 245.322 3.700 20 0 BHADMN COc1cccc([C@H](C)N[C@H](C)c2ccoc2)c1 ZINC000094868922 325791004 /nfs/dbraw/zinc/79/10/04/325791004.db2.gz UULIILNJNCUUEK-NWDGAFQWSA-N 0 1 245.322 3.700 20 0 BHADMN COc1cccc([C@@H](C)N[C@H](C)c2ccoc2)c1 ZINC000094868923 388874916 /nfs/dbraw/zinc/87/49/16/388874916.db2.gz UULIILNJNCUUEK-VXGBXAGGSA-N 0 1 245.322 3.700 20 0 BHADMN CCc1ccccc1CN[C@@H](C)c1ccoc1 ZINC000094869352 384996595 /nfs/dbraw/zinc/99/65/95/384996595.db2.gz DFXMFKPGQVLHSV-LBPRGKRZSA-N 0 1 229.323 3.693 20 0 BHADMN CCc1ccccc1CN[C@H](C)c1ccoc1 ZINC000094869353 322977887 /nfs/dbraw/zinc/97/78/87/322977887.db2.gz DFXMFKPGQVLHSV-GFCCVEGCSA-N 0 1 229.323 3.693 20 0 BHADMN COc1ccc([C@H](C)N[C@@H](C)c2ccoc2)cc1 ZINC000094869390 384997248 /nfs/dbraw/zinc/99/72/48/384997248.db2.gz UCAVFGHANACEHO-RYUDHWBXSA-N 0 1 245.322 3.700 20 0 BHADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccoc2)cc1 ZINC000094869391 322977937 /nfs/dbraw/zinc/97/79/37/322977937.db2.gz UCAVFGHANACEHO-NEPJUHHUSA-N 0 1 245.322 3.700 20 0 BHADMN COc1ccc([C@H](C)N[C@H](C)c2ccoc2)cc1 ZINC000094869392 322977884 /nfs/dbraw/zinc/97/78/84/322977884.db2.gz UCAVFGHANACEHO-NWDGAFQWSA-N 0 1 245.322 3.700 20 0 BHADMN COc1ccc([C@@H](C)N[C@H](C)c2ccoc2)cc1 ZINC000094869393 322977926 /nfs/dbraw/zinc/97/79/26/322977926.db2.gz UCAVFGHANACEHO-VXGBXAGGSA-N 0 1 245.322 3.700 20 0 BHADMN Cc1cscc1CN[C@@H](C)c1cccc(O)c1 ZINC000094877520 360324090 /nfs/dbraw/zinc/32/40/90/360324090.db2.gz OMYCXDJIXQDXAW-NSHDSACASA-N 0 1 247.363 3.613 20 0 BHADMN Cc1cscc1CN[C@H](C)c1cccc(O)c1 ZINC000094877521 360323706 /nfs/dbraw/zinc/32/37/06/360323706.db2.gz OMYCXDJIXQDXAW-LLVKDONJSA-N 0 1 247.363 3.613 20 0 BHADMN CC(C)Cc1ccc(CNCc2ccco2)cc1 ZINC000094895821 360326017 /nfs/dbraw/zinc/32/60/17/360326017.db2.gz RULSWMYYFMNKIL-UHFFFAOYSA-N 0 1 243.350 3.768 20 0 BHADMN CSCCN(C)[C@@H](C)c1ccccc1Cl ZINC000097475987 387246876 /nfs/dbraw/zinc/24/68/76/387246876.db2.gz PXFHNTAQCLXLCR-JTQLQIEISA-N 0 1 243.803 3.696 20 0 BHADMN CSCCN(C)[C@H](C)c1ccccc1Cl ZINC000097475988 175493358 /nfs/dbraw/zinc/49/33/58/175493358.db2.gz PXFHNTAQCLXLCR-SNVBAGLBSA-N 0 1 243.803 3.696 20 0 BHADMN CCN(Cc1ccoc1)Cc1cccc(C)c1 ZINC000102408453 357388979 /nfs/dbraw/zinc/38/89/79/357388979.db2.gz UJHPXYKFQWRFSB-UHFFFAOYSA-N 0 1 229.323 3.610 20 0 BHADMN CCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000102634424 345690033 /nfs/dbraw/zinc/69/00/33/345690033.db2.gz BJFOSNWETJXAQZ-UHFFFAOYSA-N 0 1 240.228 3.685 20 0 BHADMN CN(C/C=C\c1ccccc1)Cc1ccsc1 ZINC000102675670 357785410 /nfs/dbraw/zinc/78/54/10/357785410.db2.gz PXQMXIMCQHKQRW-YVMONPNESA-N 0 1 243.375 3.893 20 0 BHADMN Cc1ccc(CNC(C)(C)c2ccc(F)cc2)o1 ZINC000103173331 585067726 /nfs/dbraw/zinc/06/77/26/585067726.db2.gz UCBCYJLNEFONMY-UHFFFAOYSA-N 0 1 247.313 3.752 20 0 BHADMN CCCCc1nc(CN(C)[C@@H](C)CC)cs1 ZINC000104688264 384703883 /nfs/dbraw/zinc/70/38/83/384703883.db2.gz OCWXEXZTRXIVLC-NSHDSACASA-N 0 1 240.416 3.716 20 0 BHADMN CCCCc1nc(CN(C)[C@H](C)CC)cs1 ZINC000104688266 188160399 /nfs/dbraw/zinc/16/03/99/188160399.db2.gz OCWXEXZTRXIVLC-LLVKDONJSA-N 0 1 240.416 3.716 20 0 BHADMN Cc1ccc(CN[C@H]2CCc3c2cccc3C)o1 ZINC000105496990 359702752 /nfs/dbraw/zinc/70/27/52/359702752.db2.gz LTDMYMLCUGVFJO-INIZCTEOSA-N 0 1 241.334 3.674 20 0 BHADMN Cc1ccc(CN[C@@H]2CCc3c2cccc3C)o1 ZINC000105496992 359703047 /nfs/dbraw/zinc/70/30/47/359703047.db2.gz LTDMYMLCUGVFJO-MRXNPFEDSA-N 0 1 241.334 3.674 20 0 BHADMN C(=C/c1ccccc1)\CN1Cc2ccccc2C1 ZINC000106303891 387949965 /nfs/dbraw/zinc/94/99/65/387949965.db2.gz OMTJCLULKGYANB-RMKNXTFCSA-N 0 1 235.330 3.716 20 0 BHADMN Cc1ccc([C@H](C)NCc2ccc(C)c(F)c2)o1 ZINC000106409945 384916739 /nfs/dbraw/zinc/91/67/39/384916739.db2.gz RTIDFIXVGSVPCR-LBPRGKRZSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1ccc([C@@H](C)NCc2ccc(C)c(F)c2)o1 ZINC000106409948 384917712 /nfs/dbraw/zinc/91/77/12/384917712.db2.gz RTIDFIXVGSVPCR-GFCCVEGCSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1ccc(CN[C@@H]2CCc3ccc(F)cc32)o1 ZINC000106477293 323836221 /nfs/dbraw/zinc/83/62/21/323836221.db2.gz YZPIVMVIBLNDSR-OAHLLOKOSA-N 0 1 245.297 3.504 20 0 BHADMN Cc1ccc(CN[C@H]2CCc3ccc(F)cc32)o1 ZINC000106477295 387964594 /nfs/dbraw/zinc/96/45/94/387964594.db2.gz YZPIVMVIBLNDSR-HNNXBMFYSA-N 0 1 245.297 3.504 20 0 BHADMN CC(C)n1ccnc1CN(C)C1CCCCCC1 ZINC000107298102 385561932 /nfs/dbraw/zinc/56/19/32/385561932.db2.gz UJLBFFXGJWZERI-UHFFFAOYSA-N 0 1 249.402 3.619 20 0 BHADMN Cc1cc(C)cc([C@@H](C)NCc2ccccn2)c1 ZINC000107319841 384961373 /nfs/dbraw/zinc/96/13/73/384961373.db2.gz MDTVGGJTIUTPNQ-CQSZACIVSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1cc(C)cc([C@H](C)NCc2ccccn2)c1 ZINC000107319843 384963122 /nfs/dbraw/zinc/96/31/22/384963122.db2.gz MDTVGGJTIUTPNQ-AWEZNQCLSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1cc(C)cc([C@@H](C)NCc2ccco2)c1 ZINC000107320084 384961626 /nfs/dbraw/zinc/96/16/26/384961626.db2.gz RZMZLCBQPIODFM-CYBMUJFWSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1cc(C)cc([C@H](C)NCc2ccco2)c1 ZINC000107320087 384960835 /nfs/dbraw/zinc/96/08/35/384960835.db2.gz RZMZLCBQPIODFM-ZDUSSCGKSA-N 0 1 229.323 3.747 20 0 BHADMN CC[C@](C)(NCc1nccs1)c1ccccc1 ZINC000107717479 588400910 /nfs/dbraw/zinc/40/09/10/588400910.db2.gz SKQSOLHBPFMZCT-AWEZNQCLSA-N 0 1 246.379 3.558 20 0 BHADMN CC[C@@](C)(NCc1nccs1)c1ccccc1 ZINC000107717484 588401054 /nfs/dbraw/zinc/40/10/54/588401054.db2.gz SKQSOLHBPFMZCT-CQSZACIVSA-N 0 1 246.379 3.558 20 0 BHADMN CC[C@](C)(NCc1ccco1)c1ccccc1 ZINC000107717642 588400972 /nfs/dbraw/zinc/40/09/72/588400972.db2.gz XPUUNUNMTHALTK-HNNXBMFYSA-N 0 1 229.323 3.695 20 0 BHADMN CC[C@@](C)(NCc1ccco1)c1ccccc1 ZINC000107717644 588401020 /nfs/dbraw/zinc/40/10/20/588401020.db2.gz XPUUNUNMTHALTK-OAHLLOKOSA-N 0 1 229.323 3.695 20 0 BHADMN CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385676 344503105 /nfs/dbraw/zinc/50/31/05/344503105.db2.gz HOVQEZBPTVNJBX-OAHLLOKOSA-N 0 1 228.339 3.715 20 0 BHADMN CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108385679 344503182 /nfs/dbraw/zinc/50/31/82/344503182.db2.gz HOVQEZBPTVNJBX-HNNXBMFYSA-N 0 1 228.339 3.715 20 0 BHADMN Cc1ccc(CN[C@@H]2CCc3c2cccc3F)o1 ZINC000110058795 385206139 /nfs/dbraw/zinc/20/61/39/385206139.db2.gz HNYXIMHUPCICPZ-OAHLLOKOSA-N 0 1 245.297 3.504 20 0 BHADMN Cc1ccc(CN[C@H]2CCc3c2cccc3F)o1 ZINC000110058798 385206352 /nfs/dbraw/zinc/20/63/52/385206352.db2.gz HNYXIMHUPCICPZ-HNNXBMFYSA-N 0 1 245.297 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326183102 /nfs/dbraw/zinc/18/31/02/326183102.db2.gz IUTPFYJABSBUDU-UHFFFAOYSA-N 0 1 243.335 3.557 20 0 BHADMN Cc1ccc(CN(C)[C@@H](C)c2cccs2)nc1 ZINC000156196763 326221973 /nfs/dbraw/zinc/22/19/73/326221973.db2.gz UPLAGXNSMCUGIE-LBPRGKRZSA-N 0 1 246.379 3.645 20 0 BHADMN Cc1ccc(CN(C)[C@H](C)c2cccs2)nc1 ZINC000156196895 326221791 /nfs/dbraw/zinc/22/17/91/326221791.db2.gz UPLAGXNSMCUGIE-GFCCVEGCSA-N 0 1 246.379 3.645 20 0 BHADMN Cc1cc(CN(C)Cc2ccccc2)c(C)o1 ZINC000156375565 640442095 /nfs/dbraw/zinc/44/20/95/640442095.db2.gz LCIZETSRXNSVPW-UHFFFAOYSA-N 0 1 229.323 3.528 20 0 BHADMN CCc1ccc([C@@H](C)NCc2cccs2)o1 ZINC000156541024 385457506 /nfs/dbraw/zinc/45/75/06/385457506.db2.gz IGSYDGSUOMRVIJ-SNVBAGLBSA-N 0 1 235.352 3.754 20 0 BHADMN CCc1ccc([C@H](C)NCc2cccs2)o1 ZINC000156541162 385457391 /nfs/dbraw/zinc/45/73/91/385457391.db2.gz IGSYDGSUOMRVIJ-JTQLQIEISA-N 0 1 235.352 3.754 20 0 BHADMN CC(C)N(C)Cc1ncc(-c2ccccc2)s1 ZINC000156973928 326251110 /nfs/dbraw/zinc/25/11/10/326251110.db2.gz 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ZINC000157847655 177048895 /nfs/dbraw/zinc/04/88/95/177048895.db2.gz CSQOLRUUIFNPMZ-LLVKDONJSA-N 0 1 247.363 3.647 20 0 BHADMN C[C@H](c1cccs1)[N@@H+](C)Cc1cccc(O)c1 ZINC000157847655 177048894 /nfs/dbraw/zinc/04/88/94/177048894.db2.gz CSQOLRUUIFNPMZ-LLVKDONJSA-N 0 1 247.363 3.647 20 0 BHADMN Cc1ncccc1CN(C)[C@@H](C)c1cccs1 ZINC000157857086 326298482 /nfs/dbraw/zinc/29/84/82/326298482.db2.gz WUGQPCUTVRARBG-LBPRGKRZSA-N 0 1 246.379 3.645 20 0 BHADMN Cc1ncccc1CN(C)[C@H](C)c1cccs1 ZINC000157857266 326298569 /nfs/dbraw/zinc/29/85/69/326298569.db2.gz WUGQPCUTVRARBG-GFCCVEGCSA-N 0 1 246.379 3.645 20 0 BHADMN Cc1ccoc1CN[C@@H]1CCCc2sccc21 ZINC000157908540 385535602 /nfs/dbraw/zinc/53/56/02/385535602.db2.gz QGTUCRLKQQENSU-GFCCVEGCSA-N 0 1 247.363 3.817 20 0 BHADMN Cc1ccoc1CN[C@H]1CCCc2sccc21 ZINC000157908678 385536097 /nfs/dbraw/zinc/53/60/97/385536097.db2.gz QGTUCRLKQQENSU-LBPRGKRZSA-N 0 1 247.363 3.817 20 0 BHADMN Cc1ccc([C@@H](C)N[C@@H](C)CC(F)(F)F)o1 ZINC000158190651 387937562 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PYALDMOVWMTIJT-UHFFFAOYSA-N 0 1 249.251 3.685 20 0 BHADMN FC(F)c1ccc(CNCc2ccoc2)cc1 ZINC000159800929 323048897 /nfs/dbraw/zinc/04/88/97/323048897.db2.gz AUPFCDBYTBWILO-UHFFFAOYSA-N 0 1 237.249 3.507 20 0 BHADMN Cc1cccc(C)c1CN[C@@H](C)c1ccccn1 ZINC000160378250 179037731 /nfs/dbraw/zinc/03/77/31/179037731.db2.gz HAQVGSAPSQAEPG-AWEZNQCLSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1cccc(C)c1CN[C@H](C)c1ccccn1 ZINC000160378357 179038915 /nfs/dbraw/zinc/03/89/15/179038915.db2.gz HAQVGSAPSQAEPG-CQSZACIVSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1cccc(C)c1CN[C@@H](C)c1ccco1 ZINC000160379167 711807943 /nfs/dbraw/zinc/80/79/43/711807943.db2.gz HODYVKLXXYKSDR-ZDUSSCGKSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1cccc(C)c1CN[C@H](C)c1ccco1 ZINC000160379253 711487847 /nfs/dbraw/zinc/48/78/47/711487847.db2.gz HODYVKLXXYKSDR-CYBMUJFWSA-N 0 1 229.323 3.747 20 0 BHADMN Cc1oc2ccccc2c1CNCc1ccoc1 ZINC000160790275 388090590 /nfs/dbraw/zinc/09/05/90/388090590.db2.gz CVKXVGKONSFLCY-UHFFFAOYSA-N 0 1 241.290 3.624 20 0 BHADMN CCC(CC)Cn1c(C)nc2c1CCCC2 ZINC000162073967 487608130 /nfs/dbraw/zinc/60/81/30/487608130.db2.gz NSYIKOOSVVQRLF-UHFFFAOYSA-N 0 1 220.360 3.507 20 0 BHADMN CN(Cc1ccco1)Cc1coc2ccccc12 ZINC000162145909 387320605 /nfs/dbraw/zinc/32/06/05/387320605.db2.gz JFVKLTGZHRSNQT-UHFFFAOYSA-N 0 1 241.290 3.658 20 0 BHADMN Cc1cccc(CN(C)Cc2ccco2)c1C ZINC000162154694 387325763 /nfs/dbraw/zinc/32/57/63/387325763.db2.gz GNXLBYPNBTXHRI-UHFFFAOYSA-N 0 1 229.323 3.528 20 0 BHADMN C/C(=C\c1ccccc1)CN(C)Cc1ccco1 ZINC000162162879 398133403 /nfs/dbraw/zinc/13/34/03/398133403.db2.gz XZISYMCXOPMFEC-SDNWHVSQSA-N 0 1 241.334 3.815 20 0 BHADMN CN(C/C=C/c1ccc(F)cc1)Cc1ccco1 ZINC000162166877 398133381 /nfs/dbraw/zinc/13/33/81/398133381.db2.gz JOWALOMSNXKJMV-DUXPYHPUSA-N 0 1 245.297 3.564 20 0 BHADMN Cc1ccc(CN(C)Cc2ccco2)cc1C ZINC000162168187 398133670 /nfs/dbraw/zinc/13/36/70/398133670.db2.gz RYZROZCVTUJKDQ-UHFFFAOYSA-N 0 1 229.323 3.528 20 0 BHADMN Cc1cc(CN[C@@H]2CCCc3occc32)c(C)o1 ZINC000163493595 633057821 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/nfs/dbraw/zinc/98/99/82/384989982.db2.gz UQZCHFQHACSSFO-UHFFFAOYSA-N 0 1 235.352 3.502 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2cncs2)c(C)c1 ZINC000164495160 385001894 /nfs/dbraw/zinc/00/18/94/385001894.db2.gz BJLVPXBRSCBRKT-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc(CN[C@H](C)c2cncs2)c(C)c1 ZINC000164495279 385001989 /nfs/dbraw/zinc/00/19/89/385001989.db2.gz BJLVPXBRSCBRKT-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN CC(C)N(C)Cc1ccc(Cl)cc1Cl ZINC000165317132 345720631 /nfs/dbraw/zinc/72/06/31/345720631.db2.gz GRHIAAYBNLPDTP-UHFFFAOYSA-N 0 1 232.154 3.834 20 0 BHADMN Cc1ccc2c(c1)[C@H](NCc1ccco1)CCC2 ZINC000165957128 385210482 /nfs/dbraw/zinc/21/04/82/385210482.db2.gz MUIHIVNMRLQUPZ-MRXNPFEDSA-N 0 1 241.334 3.755 20 0 BHADMN Cc1ccc2c(c1)[C@@H](NCc1ccco1)CCC2 ZINC000165957228 385211167 /nfs/dbraw/zinc/21/11/67/385211167.db2.gz MUIHIVNMRLQUPZ-INIZCTEOSA-N 0 1 241.334 3.755 20 0 BHADMN CC[C@H](NCc1ccoc1)c1ccccc1F ZINC000166024965 385215248 /nfs/dbraw/zinc/21/52/48/385215248.db2.gz 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BHADMN CCc1ccc([C@@H](C)NCc2ccsc2)o1 ZINC000166607004 385262144 /nfs/dbraw/zinc/26/21/44/385262144.db2.gz NFLLSRAEFIVZSW-SNVBAGLBSA-N 0 1 235.352 3.754 20 0 BHADMN CCc1ccc([C@H](C)NCc2ccsc2)o1 ZINC000166607105 385262192 /nfs/dbraw/zinc/26/21/92/385262192.db2.gz NFLLSRAEFIVZSW-JTQLQIEISA-N 0 1 235.352 3.754 20 0 BHADMN CCc1ccc(CN[C@@H](C)c2ccoc2)s1 ZINC000166609050 326433837 /nfs/dbraw/zinc/43/38/37/326433837.db2.gz CVYSSJAWROWIKZ-JTQLQIEISA-N 0 1 235.352 3.754 20 0 BHADMN CCc1ccc(CN[C@H](C)c2ccoc2)s1 ZINC000166609160 388429309 /nfs/dbraw/zinc/42/93/09/388429309.db2.gz CVYSSJAWROWIKZ-SNVBAGLBSA-N 0 1 235.352 3.754 20 0 BHADMN CC[C@H](NCc1ccoc1)c1cccc(F)c1 ZINC000166680802 385269611 /nfs/dbraw/zinc/26/96/11/385269611.db2.gz CZBZKILPMLSGFZ-AWEZNQCLSA-N 0 1 233.286 3.660 20 0 BHADMN CC[C@@H](NCc1ccoc1)c1cccc(F)c1 ZINC000166680928 346686663 /nfs/dbraw/zinc/68/66/63/346686663.db2.gz CZBZKILPMLSGFZ-CQSZACIVSA-N 0 1 233.286 3.660 20 0 BHADMN Cc1cccc([C@H](C)N[C@@H](C)c2cncs2)c1 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3.645 20 0 BHADMN CCC(CC)N[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000177409262 388482536 /nfs/dbraw/zinc/48/25/36/388482536.db2.gz YOUJGFNCHDTJIW-JTQLQIEISA-N 0 1 238.375 3.811 20 0 BHADMN CCC(CC)N[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000177409284 388482722 /nfs/dbraw/zinc/48/27/22/388482722.db2.gz YOUJGFNCHDTJIW-SNVBAGLBSA-N 0 1 238.375 3.811 20 0 BHADMN CCCCN(C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000177632560 388487804 /nfs/dbraw/zinc/48/78/04/388487804.db2.gz PRGZGENHOLUIRP-NSHDSACASA-N 0 1 238.375 3.765 20 0 BHADMN CCCCN(C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000177632574 388488163 /nfs/dbraw/zinc/48/81/63/388488163.db2.gz PRGZGENHOLUIRP-LLVKDONJSA-N 0 1 238.375 3.765 20 0 BHADMN CN(Cc1ccco1)[C@@H]1CCc2ccc(F)cc21 ZINC000177674083 385271305 /nfs/dbraw/zinc/27/13/05/385271305.db2.gz JYXHKBNOMALSDW-OAHLLOKOSA-N 0 1 245.297 3.538 20 0 BHADMN CN(Cc1ccco1)[C@H]1CCc2ccc(F)cc21 ZINC000177674099 385270951 /nfs/dbraw/zinc/27/09/51/385270951.db2.gz JYXHKBNOMALSDW-HNNXBMFYSA-N 0 1 245.297 3.538 20 0 BHADMN 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OGZVUSBPJCKTSQ-NSHDSACASA-N 0 1 233.286 3.578 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccoc2)cc1F ZINC000178464002 366126875 /nfs/dbraw/zinc/12/68/75/366126875.db2.gz OGZVUSBPJCKTSQ-LLVKDONJSA-N 0 1 233.286 3.578 20 0 BHADMN CC1(C)Cc2occc2[C@H](NCc2ccoc2)C1 ZINC000178475179 385378817 /nfs/dbraw/zinc/37/88/17/385378817.db2.gz UIXIPTFNOSUCHZ-CYBMUJFWSA-N 0 1 245.322 3.676 20 0 BHADMN CC1(C)Cc2occc2[C@@H](NCc2ccoc2)C1 ZINC000178475191 385379487 /nfs/dbraw/zinc/37/94/87/385379487.db2.gz UIXIPTFNOSUCHZ-ZDUSSCGKSA-N 0 1 245.322 3.676 20 0 BHADMN C[C@H](NCc1cc2ccccc2o1)c1ccoc1 ZINC000178487323 366130897 /nfs/dbraw/zinc/13/08/97/366130897.db2.gz XKLNTQBVWBEJSV-NSHDSACASA-N 0 1 241.290 3.877 20 0 BHADMN C[C@@H](NCc1cc2ccccc2o1)c1ccoc1 ZINC000178487334 366130191 /nfs/dbraw/zinc/13/01/91/366130191.db2.gz XKLNTQBVWBEJSV-LLVKDONJSA-N 0 1 241.290 3.877 20 0 BHADMN CN(Cc1ccco1)Cc1cc2ccccc2o1 ZINC000178509633 388500737 /nfs/dbraw/zinc/50/07/37/388500737.db2.gz PRMLNHAPJZBJLZ-UHFFFAOYSA-N 0 1 241.290 3.658 20 0 BHADMN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1cscn1 ZINC000178906574 134313257 /nfs/dbraw/zinc/31/32/57/134313257.db2.gz JAIWGRNNLCAORL-LBPRGKRZSA-N 0 1 238.400 3.544 20 0 BHADMN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1cscn1 ZINC000178906586 134313186 /nfs/dbraw/zinc/31/31/86/134313186.db2.gz JAIWGRNNLCAORL-GFCCVEGCSA-N 0 1 238.400 3.544 20 0 BHADMN CC(C)C[C@@H]1CCCCN1Cc1cscn1 ZINC000179039798 134314621 /nfs/dbraw/zinc/31/46/21/134314621.db2.gz SDFJMHXZDSQYDZ-ZDUSSCGKSA-N 0 1 238.400 3.544 20 0 BHADMN CC(C)C[C@H]1CCCCN1Cc1cscn1 ZINC000179039811 134314739 /nfs/dbraw/zinc/31/47/39/134314739.db2.gz SDFJMHXZDSQYDZ-CYBMUJFWSA-N 0 1 238.400 3.544 20 0 BHADMN Cc1cc(Cl)cc(C)c1CNCc1ccoc1 ZINC000179319179 366241786 /nfs/dbraw/zinc/24/17/86/366241786.db2.gz GKLZIYKSDZNPAB-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN CCC[C@@H]1CCCCN1Cc1csc(C)n1 ZINC000179519662 535410098 /nfs/dbraw/zinc/41/00/98/535410098.db2.gz CYSHZCOSSSNEKA-CYBMUJFWSA-N 0 1 238.400 3.606 20 0 BHADMN CCC[C@H]1CCCCN1Cc1csc(C)n1 ZINC000179519668 134321178 /nfs/dbraw/zinc/32/11/78/134321178.db2.gz CYSHZCOSSSNEKA-ZDUSSCGKSA-N 0 1 238.400 3.606 20 0 BHADMN CCC[C@@H]1CCCCN1Cc1ccn(C(C)C)n1 ZINC000179520264 385376475 /nfs/dbraw/zinc/37/64/75/385376475.db2.gz VKZIECWJPVVPPF-OAHLLOKOSA-N 0 1 249.402 3.619 20 0 BHADMN CCC[C@H]1CCCCN1Cc1ccn(C(C)C)n1 ZINC000179520275 385376661 /nfs/dbraw/zinc/37/66/61/385376661.db2.gz VKZIECWJPVVPPF-HNNXBMFYSA-N 0 1 249.402 3.619 20 0 BHADMN CCC[C@@H]1CCCCN1Cc1nccn1C(C)C ZINC000179522118 535411621 /nfs/dbraw/zinc/41/16/21/535411621.db2.gz POJAHIOPQXMOKA-CQSZACIVSA-N 0 1 249.402 3.619 20 0 BHADMN CCC[C@H]1CCCCN1Cc1nccn1C(C)C ZINC000179522128 134321154 /nfs/dbraw/zinc/32/11/54/134321154.db2.gz POJAHIOPQXMOKA-AWEZNQCLSA-N 0 1 249.402 3.619 20 0 BHADMN CC(C)=CCN[C@@H](C)c1cc(F)ccc1F ZINC000179536753 385376481 /nfs/dbraw/zinc/37/64/81/385376481.db2.gz DWERPYPYNJYZRP-JTQLQIEISA-N 0 1 225.282 3.582 20 0 BHADMN CC(C)=CCN[C@H](C)c1cc(F)ccc1F ZINC000179536761 385375943 /nfs/dbraw/zinc/37/59/43/385375943.db2.gz DWERPYPYNJYZRP-SNVBAGLBSA-N 0 1 225.282 3.582 20 0 BHADMN C[C@H](NC/C=C/Cl)c1ccc(F)cc1Cl ZINC000179561710 642726199 /nfs/dbraw/zinc/72/61/99/642726199.db2.gz WYXZSUUJIHTDPC-NCJLJLRUSA-N 0 1 248.128 3.882 20 0 BHADMN C[C@@H](NC/C=C/Cl)c1ccc(F)cc1Cl ZINC000179561719 642726973 /nfs/dbraw/zinc/72/69/73/642726973.db2.gz WYXZSUUJIHTDPC-IBDUZEINSA-N 0 1 248.128 3.882 20 0 BHADMN Cc1ccc(CN(C)Cc2sccc2C)o1 ZINC000179618666 384313647 /nfs/dbraw/zinc/31/36/47/384313647.db2.gz RHZRZJRGLKWZFL-UHFFFAOYSA-N 0 1 235.352 3.590 20 0 BHADMN FC(F)(F)[C@H]1CCCN(Cc2ccsc2)C1 ZINC000179623925 366277909 /nfs/dbraw/zinc/27/79/09/366277909.db2.gz ORZKFNWBRWGFPN-JTQLQIEISA-N 0 1 249.301 3.522 20 0 BHADMN FC(F)(F)[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000179623943 366277471 /nfs/dbraw/zinc/27/74/71/366277471.db2.gz ORZKFNWBRWGFPN-SNVBAGLBSA-N 0 1 249.301 3.522 20 0 BHADMN CC[C@H](NC/C=C/Cl)c1ccc(F)cc1F ZINC000179637185 642735361 /nfs/dbraw/zinc/73/53/61/642735361.db2.gz OKSRINFDXIMTHA-UXONFWTHSA-N 0 1 245.700 3.758 20 0 BHADMN CC[C@@H](NC/C=C/Cl)c1ccc(F)cc1F ZINC000179637196 642735174 /nfs/dbraw/zinc/73/51/74/642735174.db2.gz OKSRINFDXIMTHA-MJRJWQSSSA-N 0 1 245.700 3.758 20 0 BHADMN Fc1ccccc1C1(N[C@H]2C=CCCC2)CC1 ZINC000179661277 642737157 /nfs/dbraw/zinc/73/71/57/642737157.db2.gz PGPBWLRWZHTNCY-LBPRGKRZSA-N 0 1 231.314 3.513 20 0 BHADMN Fc1ccccc1C1(N[C@@H]2C=CCCC2)CC1 ZINC000179661287 642737405 /nfs/dbraw/zinc/73/74/05/642737405.db2.gz PGPBWLRWZHTNCY-GFCCVEGCSA-N 0 1 231.314 3.513 20 0 BHADMN Cl/C=C/CNC1(c2cccc(Cl)c2)CC1 ZINC000179678142 642735897 /nfs/dbraw/zinc/73/58/97/642735897.db2.gz RXRSGLYQQKYVGK-FARCUNLSSA-N 0 1 242.149 3.671 20 0 BHADMN CCN(Cc1ccc(C)o1)Cc1cccs1 ZINC000179720262 259304870 /nfs/dbraw/zinc/30/48/70/259304870.db2.gz OGOHBKMVLGFDLK-UHFFFAOYSA-N 0 1 235.352 3.672 20 0 BHADMN CCN(Cc1ccsc1)Cc1cccs1 ZINC000179721269 259304854 /nfs/dbraw/zinc/30/48/54/259304854.db2.gz MNOSTYCSYXQJQN-UHFFFAOYSA-N 0 1 237.393 3.832 20 0 BHADMN CC[C@H](NC/C=C/Cl)c1cc(F)ccc1F ZINC000179801619 642746669 /nfs/dbraw/zinc/74/66/69/642746669.db2.gz SNYAYBZBLOMEOF-UXONFWTHSA-N 0 1 245.700 3.758 20 0 BHADMN CC[C@@H](NC/C=C/Cl)c1cc(F)ccc1F ZINC000179801631 642745945 /nfs/dbraw/zinc/74/59/45/642745945.db2.gz SNYAYBZBLOMEOF-MJRJWQSSSA-N 0 1 245.700 3.758 20 0 BHADMN Cc1ccc(CN2CCc3sccc3C2)s1 ZINC000179887201 342878419 /nfs/dbraw/zinc/87/84/19/342878419.db2.gz COWYIMAUBJELRB-UHFFFAOYSA-N 0 1 249.404 3.676 20 0 BHADMN Cc1ccsc1CN1CCc2sccc2C1 ZINC000179887877 342878122 /nfs/dbraw/zinc/87/81/22/342878122.db2.gz LAOQAFUEWDHDEO-UHFFFAOYSA-N 0 1 249.404 3.676 20 0 BHADMN Fc1ccc2c(c1)CCC[C@@H]2NCc1ccoc1 ZINC000179916300 385499968 /nfs/dbraw/zinc/49/99/68/385499968.db2.gz OHQYNZNJXQLCGB-HNNXBMFYSA-N 0 1 245.297 3.586 20 0 BHADMN Fc1ccc2c(c1)CCC[C@H]2NCc1ccoc1 ZINC000179916312 385500408 /nfs/dbraw/zinc/50/04/08/385500408.db2.gz OHQYNZNJXQLCGB-OAHLLOKOSA-N 0 1 245.297 3.586 20 0 BHADMN Cc1ccc(F)cc1CN(C)[C@@H](C)c1ccco1 ZINC000179929176 347004211 /nfs/dbraw/zinc/00/42/11/347004211.db2.gz KTEOXUGHVNNJAR-LBPRGKRZSA-N 0 1 247.313 3.920 20 0 BHADMN Cc1ccc(F)cc1CN(C)[C@H](C)c1ccco1 ZINC000179929193 134325584 /nfs/dbraw/zinc/32/55/84/134325584.db2.gz KTEOXUGHVNNJAR-GFCCVEGCSA-N 0 1 247.313 3.920 20 0 BHADMN COc1cccc(F)c1[C@H](C)N[C@H]1C=CCCC1 ZINC000179938642 366336253 /nfs/dbraw/zinc/33/62/53/366336253.db2.gz SURLSHPXMDKBSL-RYUDHWBXSA-N 0 1 249.329 3.594 20 0 BHADMN COc1cccc(F)c1[C@@H](C)N[C@H]1C=CCCC1 ZINC000179938658 366336725 /nfs/dbraw/zinc/33/67/25/366336725.db2.gz SURLSHPXMDKBSL-NEPJUHHUSA-N 0 1 249.329 3.594 20 0 BHADMN COc1cccc(F)c1[C@H](C)N[C@@H]1C=CCCC1 ZINC000179938675 366336946 /nfs/dbraw/zinc/33/69/46/366336946.db2.gz SURLSHPXMDKBSL-NWDGAFQWSA-N 0 1 249.329 3.594 20 0 BHADMN COc1cccc(F)c1[C@@H](C)N[C@@H]1C=CCCC1 ZINC000179938688 366335998 /nfs/dbraw/zinc/33/59/98/366335998.db2.gz SURLSHPXMDKBSL-VXGBXAGGSA-N 0 1 249.329 3.594 20 0 BHADMN Cc1ccc2c(c1)[C@H](NCc1ccco1)[C@H](C)C2 ZINC000179970472 385502542 /nfs/dbraw/zinc/50/25/42/385502542.db2.gz QUWKRDXVBVKZNR-MLGOLLRUSA-N 0 1 241.334 3.611 20 0 BHADMN Cc1ccc2c(c1)[C@@H](NCc1ccco1)[C@H](C)C2 ZINC000179970487 385502358 /nfs/dbraw/zinc/50/23/58/385502358.db2.gz QUWKRDXVBVKZNR-WBMJQRKESA-N 0 1 241.334 3.611 20 0 BHADMN Cc1ccc2c(c1)[C@H](NCc1ccco1)[C@@H](C)C2 ZINC000179970499 385501787 /nfs/dbraw/zinc/50/17/87/385501787.db2.gz QUWKRDXVBVKZNR-BLLLJJGKSA-N 0 1 241.334 3.611 20 0 BHADMN Cc1ccc2c(c1)[C@@H](NCc1ccco1)[C@@H](C)C2 ZINC000179970512 385501745 /nfs/dbraw/zinc/50/17/45/385501745.db2.gz QUWKRDXVBVKZNR-LRDDRELGSA-N 0 1 241.334 3.611 20 0 BHADMN Cc1occc1CN(C)Cc1cc(F)ccc1C ZINC000179978613 347006033 /nfs/dbraw/zinc/00/60/33/347006033.db2.gz MAOXHYCDYCIEKH-UHFFFAOYSA-N 0 1 247.313 3.668 20 0 BHADMN Cc1occc1C[N@H+](C)Cc1cc(F)ccc1C ZINC000179978613 347006029 /nfs/dbraw/zinc/00/60/29/347006029.db2.gz MAOXHYCDYCIEKH-UHFFFAOYSA-N 0 1 247.313 3.668 20 0 BHADMN c1csc(CN(Cc2ccsc2)C2CC2)c1 ZINC000180035735 384432513 /nfs/dbraw/zinc/43/25/13/384432513.db2.gz SWZSPBPJISXNDD-UHFFFAOYSA-N 0 1 249.404 3.974 20 0 BHADMN CCN(C)Cc1ccc(Oc2ccccc2)o1 ZINC000180419981 134327076 /nfs/dbraw/zinc/32/70/76/134327076.db2.gz OXXQQOMSEWZHGZ-UHFFFAOYSA-N 0 1 231.295 3.524 20 0 BHADMN CN(Cc1ccc(Oc2ccccc2)o1)C1CC1 ZINC000180421169 134327124 /nfs/dbraw/zinc/32/71/24/134327124.db2.gz WQZPJJUROJDJLB-UHFFFAOYSA-N 0 1 243.306 3.666 20 0 BHADMN CCCCCN(Cc1ncc(C)s1)C(C)C ZINC000180429949 535043800 /nfs/dbraw/zinc/04/38/00/535043800.db2.gz DSTFDNJHNUBSOK-UHFFFAOYSA-N 0 1 240.416 3.852 20 0 BHADMN CC(C)=CCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000180514683 366490670 /nfs/dbraw/zinc/49/06/70/366490670.db2.gz MZJAZSZCNDKZAW-UHFFFAOYSA-N 0 1 243.272 3.502 20 0 BHADMN CCC[C@@H](C)CN(C)Cc1ncc(CC)s1 ZINC000180559038 366508646 /nfs/dbraw/zinc/50/86/46/366508646.db2.gz BHXQRRCTHHXEKY-LLVKDONJSA-N 0 1 240.416 3.574 20 0 BHADMN CCC[C@@H](C)C[N@@H+](C)Cc1ncc(CC)s1 ZINC000180559038 366508640 /nfs/dbraw/zinc/50/86/40/366508640.db2.gz BHXQRRCTHHXEKY-LLVKDONJSA-N 0 1 240.416 3.574 20 0 BHADMN CCC[C@H](C)CN(C)Cc1ncc(CC)s1 ZINC000180559056 366508484 /nfs/dbraw/zinc/50/84/84/366508484.db2.gz BHXQRRCTHHXEKY-NSHDSACASA-N 0 1 240.416 3.574 20 0 BHADMN CCC[C@H](C)C[N@@H+](C)Cc1ncc(CC)s1 ZINC000180559056 366508477 /nfs/dbraw/zinc/50/84/77/366508477.db2.gz BHXQRRCTHHXEKY-NSHDSACASA-N 0 1 240.416 3.574 20 0 BHADMN C[C@H](NC/C=C/Cl)c1ccc(F)c(Cl)c1 ZINC000180741947 642812144 /nfs/dbraw/zinc/81/21/44/642812144.db2.gz VHQPBOHYBDAZMV-NCJLJLRUSA-N 0 1 248.128 3.882 20 0 BHADMN C[C@@H](NC/C=C/Cl)c1ccc(F)c(Cl)c1 ZINC000180741966 642812219 /nfs/dbraw/zinc/81/22/19/642812219.db2.gz VHQPBOHYBDAZMV-IBDUZEINSA-N 0 1 248.128 3.882 20 0 BHADMN c1cc(Oc2ccccc2)oc1CN1CCCC1 ZINC000180781103 134331703 /nfs/dbraw/zinc/33/17/03/134331703.db2.gz VTAHEWUOOLEMCW-UHFFFAOYSA-N 0 1 243.306 3.668 20 0 BHADMN CC(C)(NC/C=C/Cl)c1ccc(F)c(F)c1 ZINC000180878649 642820416 /nfs/dbraw/zinc/82/04/16/642820416.db2.gz WMRFVUTYOOINCO-ZZXKWVIFSA-N 0 1 245.700 3.542 20 0 BHADMN CSc1ccc(N[C@H](C)c2cn[nH]c2C)cc1 ZINC000181070407 538959970 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C[C@@H](c1ccc(F)cc1)N(C)CCC(F)(F)F ZINC000264160866 176015426 /nfs/dbraw/zinc/01/54/26/176015426.db2.gz FWRQEPNONCHEGD-VIFPVBQESA-N 0 1 249.251 3.771 20 0 BHADMN C[C@@H]1C[C@H](NCc2ccco2)c2ccccc21 ZINC000264361912 388991933 /nfs/dbraw/zinc/99/19/33/388991933.db2.gz IIWJFNBKFFRJJN-ABAIWWIYSA-N 0 1 227.307 3.618 20 0 BHADMN C[C@@H]1C[C@@H](NCc2ccco2)c2ccccc21 ZINC000264361914 176377449 /nfs/dbraw/zinc/37/74/49/176377449.db2.gz IIWJFNBKFFRJJN-IAQYHMDHSA-N 0 1 227.307 3.618 20 0 BHADMN C[C@H]1C[C@H](NCc2ccco2)c2ccccc21 ZINC000264361917 177370161 /nfs/dbraw/zinc/37/01/61/177370161.db2.gz IIWJFNBKFFRJJN-NHYWBVRUSA-N 0 1 227.307 3.618 20 0 BHADMN C[C@H]1C[C@@H](NCc2ccco2)c2ccccc21 ZINC000264361923 177333463 /nfs/dbraw/zinc/33/34/63/177333463.db2.gz IIWJFNBKFFRJJN-XHDPSFHLSA-N 0 1 227.307 3.618 20 0 BHADMN C[C@@H]1C[C@H](NCc2ccoc2)c2ccccc21 ZINC000264392331 388991781 /nfs/dbraw/zinc/99/17/81/388991781.db2.gz SETALTJPHBEONO-ABAIWWIYSA-N 0 1 227.307 3.618 20 0 BHADMN 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ZINC000265879130 176033454 /nfs/dbraw/zinc/03/34/54/176033454.db2.gz XYGHMBFDYJEGAA-QMMMGPOBSA-N 0 1 237.290 3.693 20 0 BHADMN Cc1ccoc1CNC(C)(C)c1cccc(F)c1 ZINC000266161765 386406564 /nfs/dbraw/zinc/40/65/64/386406564.db2.gz NUKMSGLHOJEIJF-UHFFFAOYSA-N 0 1 247.313 3.752 20 0 BHADMN Cc1ccoc1CNC(C)(C)c1cccc(C)c1 ZINC000266172347 179027772 /nfs/dbraw/zinc/02/77/72/179027772.db2.gz RORGANGJBAZRII-UHFFFAOYSA-N 0 1 243.350 3.921 20 0 BHADMN Cc1ccoc1CN[C@H]1CCc2ccc(F)cc21 ZINC000266175541 386407610 /nfs/dbraw/zinc/40/76/10/386407610.db2.gz DSWCMKNGRDKLRG-AWEZNQCLSA-N 0 1 245.297 3.504 20 0 BHADMN Cc1ccoc1CN[C@@H]1CCc2ccc(F)cc21 ZINC000266175545 386408543 /nfs/dbraw/zinc/40/85/43/386408543.db2.gz DSWCMKNGRDKLRG-CQSZACIVSA-N 0 1 245.297 3.504 20 0 BHADMN Cc1ccoc1CN[C@H]1CCc2cc(C)ccc21 ZINC000266184400 386408350 /nfs/dbraw/zinc/40/83/50/386408350.db2.gz GUIDWAOEMXBFCM-HNNXBMFYSA-N 0 1 241.334 3.674 20 0 BHADMN Cc1ccoc1CN[C@@H]1CCc2cc(C)ccc21 ZINC000266184404 188022187 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NZFCHIZBDPQPER-CQSZACIVSA-N 0 1 247.313 3.968 20 0 BHADMN CSc1ccc(CNCc2occc2C)cc1 ZINC000266211418 388994925 /nfs/dbraw/zinc/99/49/25/388994925.db2.gz OLEFYAWGZRWBOS-UHFFFAOYSA-N 0 1 247.363 3.600 20 0 BHADMN Cc1ccoc1CN[C@H]1CCc2ccc(C)cc21 ZINC000266212959 178952364 /nfs/dbraw/zinc/95/23/64/178952364.db2.gz OYHYAMOOCYICIW-HNNXBMFYSA-N 0 1 241.334 3.674 20 0 BHADMN Cc1ccoc1CN[C@@H]1CCc2ccc(C)cc21 ZINC000266212961 388995789 /nfs/dbraw/zinc/99/57/89/388995789.db2.gz OYHYAMOOCYICIW-OAHLLOKOSA-N 0 1 241.334 3.674 20 0 BHADMN Cc1ccoc1CN[C@H]1CCc2c1cccc2F ZINC000266225268 179531660 /nfs/dbraw/zinc/53/16/60/179531660.db2.gz SKIIEXAQTKTVNM-AWEZNQCLSA-N 0 1 245.297 3.504 20 0 BHADMN Cc1ccoc1CN[C@@H]1CCc2c1cccc2F ZINC000266225271 388995528 /nfs/dbraw/zinc/99/55/28/388995528.db2.gz SKIIEXAQTKTVNM-CQSZACIVSA-N 0 1 245.297 3.504 20 0 BHADMN C[C@H]1CN(CCC(F)(F)F)[C@H]1c1ccccc1 ZINC000266869533 177246640 /nfs/dbraw/zinc/24/66/40/177246640.db2.gz OZOJWOVLUWSCOS-CMPLNLGQSA-N 0 1 243.272 3.632 20 0 BHADMN C[C@H]1CN(CCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000266869537 177247062 /nfs/dbraw/zinc/24/70/62/177247062.db2.gz OZOJWOVLUWSCOS-JQWIXIFHSA-N 0 1 243.272 3.632 20 0 BHADMN C[C@@H]1CN(CCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000266869541 176286229 /nfs/dbraw/zinc/28/62/29/176286229.db2.gz OZOJWOVLUWSCOS-PWSUYJOCSA-N 0 1 243.272 3.632 20 0 BHADMN C[C@@H]1CN(CCC(F)(F)F)[C@H]1c1ccccc1 ZINC000266869544 176286482 /nfs/dbraw/zinc/28/64/82/176286482.db2.gz OZOJWOVLUWSCOS-ZYHUDNBSSA-N 0 1 243.272 3.632 20 0 BHADMN Cc1ccoc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000267560948 178229436 /nfs/dbraw/zinc/22/94/36/178229436.db2.gz AXJUGJBJCSNLHS-GFCCVEGCSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1ccoc1CN[C@@H](C)c1ccc(F)c(C)c1 ZINC000267560950 178252439 /nfs/dbraw/zinc/25/24/39/178252439.db2.gz AXJUGJBJCSNLHS-LBPRGKRZSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1cc([C@@H](C)NCc2ccco2)ccc1F ZINC000267635978 178229788 /nfs/dbraw/zinc/22/97/88/178229788.db2.gz UNEMNOPQJGGFAL-LLVKDONJSA-N 0 1 233.286 3.578 20 0 BHADMN 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SJLMRGPAGCLOIF-LBPRGKRZSA-N 0 1 246.379 3.645 20 0 BHADMN CC(C)N(Cc1ccsc1)Cc1ccco1 ZINC000271058485 385779216 /nfs/dbraw/zinc/77/92/16/385779216.db2.gz VMUCJIZPODXOSD-UHFFFAOYSA-N 0 1 235.352 3.752 20 0 BHADMN CCn1cccc1CN(C)Cc1ccc(C)s1 ZINC000271173466 172204169 /nfs/dbraw/zinc/20/41/69/172204169.db2.gz IHJGYWKXQZPFET-UHFFFAOYSA-N 0 1 248.395 3.510 20 0 BHADMN Cc1ccc([C@@H](C)N[C@H](C)c2cnccc2C)o1 ZINC000271491302 385832470 /nfs/dbraw/zinc/83/24/70/385832470.db2.gz FKAPMNXXXQNPMV-CHWSQXEVSA-N 0 1 244.338 3.703 20 0 BHADMN Cc1ccc([C@H](C)N[C@H](C)c2cnccc2C)o1 ZINC000271491303 385832313 /nfs/dbraw/zinc/83/23/13/385832313.db2.gz FKAPMNXXXQNPMV-OLZOCXBDSA-N 0 1 244.338 3.703 20 0 BHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2cnccc2C)o1 ZINC000271491305 178848632 /nfs/dbraw/zinc/84/86/32/178848632.db2.gz FKAPMNXXXQNPMV-QWHCGFSZSA-N 0 1 244.338 3.703 20 0 BHADMN Cc1ccc([C@H](C)N[C@@H](C)c2cnccc2C)o1 ZINC000271491306 385832941 /nfs/dbraw/zinc/83/29/41/385832941.db2.gz FKAPMNXXXQNPMV-STQMWFEESA-N 0 1 244.338 3.703 20 0 BHADMN C[C@@H](NCCF)c1ccc(SC(F)F)cc1 ZINC000271675695 389023506 /nfs/dbraw/zinc/02/35/06/389023506.db2.gz AMJXBRFZEDDGTB-MRVPVSSYSA-N 0 1 249.301 3.621 20 0 BHADMN C[C@H](NCCF)c1ccc(SC(F)F)cc1 ZINC000271675697 389022658 /nfs/dbraw/zinc/02/26/58/389022658.db2.gz AMJXBRFZEDDGTB-QMMMGPOBSA-N 0 1 249.301 3.621 20 0 BHADMN C[C@@H](NCCF)c1ccc(Cl)c(Cl)c1 ZINC000271711382 175878390 /nfs/dbraw/zinc/87/83/90/175878390.db2.gz PLUNKNKGFUAFPZ-SSDOTTSWSA-N 0 1 236.117 3.614 20 0 BHADMN C[C@H](NCCF)c1ccc(Cl)c(Cl)c1 ZINC000271711384 176846338 /nfs/dbraw/zinc/84/63/38/176846338.db2.gz PLUNKNKGFUAFPZ-ZETCQYMHSA-N 0 1 236.117 3.614 20 0 BHADMN CC(C)Sc1ccc([C@@H](C)NCCF)cc1 ZINC000271874301 167336913 /nfs/dbraw/zinc/33/69/13/167336913.db2.gz XIFYUUMUXADKHN-LLVKDONJSA-N 0 1 241.375 3.807 20 0 BHADMN CC(C)Sc1ccc([C@H](C)NCCF)cc1 ZINC000271874302 167337243 /nfs/dbraw/zinc/33/72/43/167337243.db2.gz XIFYUUMUXADKHN-NSHDSACASA-N 0 1 241.375 3.807 20 0 BHADMN C[C@@H](NC1(c2ccccc2)CC1)c1ccco1 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ZINC000289989203 168053619 /nfs/dbraw/zinc/05/36/19/168053619.db2.gz SXIPNAFPRWOLIW-UHFFFAOYSA-N 0 1 248.351 3.520 20 0 BHADMN CCCCc1ccc(NCc2[nH]ncc2C)cc1 ZINC000290084680 169022375 /nfs/dbraw/zinc/02/23/75/169022375.db2.gz ZFJANDAZMZQESA-UHFFFAOYSA-N 0 1 243.354 3.673 20 0 BHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccsc1 ZINC000290328703 352220504 /nfs/dbraw/zinc/22/05/04/352220504.db2.gz DMGYVGYQDMAQDG-AWEZNQCLSA-N 0 1 246.379 3.726 20 0 BHADMN CC[C@H](c1ccncc1)N(C)Cc1ccsc1 ZINC000290328705 487751120 /nfs/dbraw/zinc/75/11/20/487751120.db2.gz DMGYVGYQDMAQDG-CQSZACIVSA-N 0 1 246.379 3.726 20 0 BHADMN CCN(Cc1ccc(C)o1)[C@H](C)c1cccnc1 ZINC000290330269 352221379 /nfs/dbraw/zinc/22/13/79/352221379.db2.gz DPTLPFLIWNAJTN-CYBMUJFWSA-N 0 1 244.338 3.566 20 0 BHADMN CCN(Cc1ccc(C)o1)[C@@H](C)c1cccnc1 ZINC000290330272 352221075 /nfs/dbraw/zinc/22/10/75/352221075.db2.gz DPTLPFLIWNAJTN-ZDUSSCGKSA-N 0 1 244.338 3.566 20 0 BHADMN CCN(Cc1ccnc(Cl)c1Cl)C(C)C ZINC000290360059 352221992 /nfs/dbraw/zinc/22/19/92/352221992.db2.gz GQCUVTRDRNGOPN-UHFFFAOYSA-N 0 1 247.169 3.619 20 0 BHADMN CC[C@@H](c1ccncc1)N(C)Cc1occc1C ZINC000290367997 352221861 /nfs/dbraw/zinc/22/18/61/352221861.db2.gz HFTGGDGCYURELF-AWEZNQCLSA-N 0 1 244.338 3.566 20 0 BHADMN CC[C@H](c1ccncc1)N(C)Cc1occc1C ZINC000290368007 386426181 /nfs/dbraw/zinc/42/61/81/386426181.db2.gz HFTGGDGCYURELF-CQSZACIVSA-N 0 1 244.338 3.566 20 0 BHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(C)o1 ZINC000290421498 352223873 /nfs/dbraw/zinc/22/38/73/352223873.db2.gz KSLYHFUAVIMMNY-HNNXBMFYSA-N 0 1 244.338 3.566 20 0 BHADMN CC[C@H](c1ccncc1)N(C)Cc1ccc(C)o1 ZINC000290421500 386431891 /nfs/dbraw/zinc/43/18/91/386431891.db2.gz KSLYHFUAVIMMNY-OAHLLOKOSA-N 0 1 244.338 3.566 20 0 BHADMN CCCN(CC)Cc1ccnc(Cl)c1Cl ZINC000290475304 169129684 /nfs/dbraw/zinc/12/96/84/169129684.db2.gz QMAQEXAHJRPPQE-UHFFFAOYSA-N 0 1 247.169 3.620 20 0 BHADMN CCN(Cc1occc1C)[C@H](C)c1cccnc1 ZINC000290649987 352233220 /nfs/dbraw/zinc/23/32/20/352233220.db2.gz ZBLWDDKQBBGYSH-CYBMUJFWSA-N 0 1 244.338 3.566 20 0 BHADMN CCN(Cc1occc1C)[C@@H](C)c1cccnc1 ZINC000290650000 352233355 /nfs/dbraw/zinc/23/33/55/352233355.db2.gz ZBLWDDKQBBGYSH-ZDUSSCGKSA-N 0 1 244.338 3.566 20 0 BHADMN CCN(Cc1ccsc1)[C@H](C)c1cccnc1 ZINC000290659758 352234227 /nfs/dbraw/zinc/23/42/27/352234227.db2.gz ZOMTVRVNZBBOET-GFCCVEGCSA-N 0 1 246.379 3.726 20 0 BHADMN CCN(Cc1ccsc1)[C@@H](C)c1cccnc1 ZINC000290659760 352233782 /nfs/dbraw/zinc/23/37/82/352233782.db2.gz ZOMTVRVNZBBOET-LBPRGKRZSA-N 0 1 246.379 3.726 20 0 BHADMN Cc1cn[nH]c1CNc1cccc(C2CCC2)c1 ZINC000291214500 398091827 /nfs/dbraw/zinc/09/18/27/398091827.db2.gz IWBPQRQVRUAHOD-UHFFFAOYSA-N 0 1 241.338 3.598 20 0 BHADMN Cc1[nH]ncc1CNc1cccc(C2CCC2)c1 ZINC000291216156 398091724 /nfs/dbraw/zinc/09/17/24/398091724.db2.gz IZANIMIILRASDF-UHFFFAOYSA-N 0 1 241.338 3.598 20 0 BHADMN Cc1ccoc1CNCc1ccc(Cl)cc1C ZINC000291748394 178066487 /nfs/dbraw/zinc/06/64/87/178066487.db2.gz PURSIHXGQYXSLG-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN Cc1ccoc1CNCc1cc(Cl)cs1 ZINC000291758226 385971029 /nfs/dbraw/zinc/97/10/29/385971029.db2.gz QZJSLZDFKHYTLN-UHFFFAOYSA-N 0 1 241.743 3.593 20 0 BHADMN CC(C)(NCc1ccsc1)c1ccccc1F ZINC000291798527 187349530 /nfs/dbraw/zinc/34/95/30/187349530.db2.gz WZTFWVCZHZQJCR-UHFFFAOYSA-N 0 1 249.354 3.912 20 0 BHADMN CC(C)(NCc1cccs1)c1ccccc1F ZINC000291806304 188390660 /nfs/dbraw/zinc/39/06/60/188390660.db2.gz XTWNEUIDXFVDCE-UHFFFAOYSA-N 0 1 249.354 3.912 20 0 BHADMN CC[C@H]1CC[N@H+]1Cc1cc(C)nc2ccccc12 ZINC000292333311 386652217 /nfs/dbraw/zinc/65/22/17/386652217.db2.gz GGFMEWANIKKVRJ-AWEZNQCLSA-N 0 1 240.350 3.528 20 0 BHADMN Cc1cc(CN[C@H](C)c2cccc(O)c2)cs1 ZINC000292545129 178039120 /nfs/dbraw/zinc/03/91/20/178039120.db2.gz AJDUMKIUBGIXGU-LLVKDONJSA-N 0 1 247.363 3.613 20 0 BHADMN Cc1cc(CN[C@@H](C)c2cccc(O)c2)cs1 ZINC000292545132 178030930 /nfs/dbraw/zinc/03/09/30/178030930.db2.gz AJDUMKIUBGIXGU-NSHDSACASA-N 0 1 247.363 3.613 20 0 BHADMN Cc1ccoc1CNC(C)(C)c1ccccc1C ZINC000292898854 179255185 /nfs/dbraw/zinc/25/51/85/179255185.db2.gz DNBBRVFPZMCBBP-UHFFFAOYSA-N 0 1 243.350 3.921 20 0 BHADMN Cc1ccc(CNC(C)(C)c2ccccc2C)o1 ZINC000292991883 386760560 /nfs/dbraw/zinc/76/05/60/386760560.db2.gz MHECPJOKVRYNFZ-UHFFFAOYSA-N 0 1 243.350 3.921 20 0 BHADMN FC[C@H]1CCCN1Cc1ccc(C(F)F)cc1 ZINC000292994943 386760070 /nfs/dbraw/zinc/76/00/70/386760070.db2.gz INONBMSIZBJVHD-GFCCVEGCSA-N 0 1 243.272 3.558 20 0 BHADMN FC[C@@H]1CCCN1Cc1ccc(C(F)F)cc1 ZINC000292994947 386761237 /nfs/dbraw/zinc/76/12/37/386761237.db2.gz INONBMSIZBJVHD-LBPRGKRZSA-N 0 1 243.272 3.558 20 0 BHADMN Cc1ccccc1C(C)(C)NCc1ccco1 ZINC000293016444 179255595 /nfs/dbraw/zinc/25/55/95/179255595.db2.gz OMZPXOPECMXJBQ-UHFFFAOYSA-N 0 1 229.323 3.613 20 0 BHADMN Cc1sccc1CN[C@@H](C)c1cccc(O)c1 ZINC000293275734 386791479 /nfs/dbraw/zinc/79/14/79/386791479.db2.gz NTGVKBPTZNVCNN-JTQLQIEISA-N 0 1 247.363 3.613 20 0 BHADMN Cc1sccc1CN[C@H](C)c1cccc(O)c1 ZINC000293275740 386793723 /nfs/dbraw/zinc/79/37/23/386793723.db2.gz NTGVKBPTZNVCNN-SNVBAGLBSA-N 0 1 247.363 3.613 20 0 BHADMN CCC[C@H](NCc1occc1C)c1cccnc1 ZINC000293285468 386797685 /nfs/dbraw/zinc/79/76/85/386797685.db2.gz DDCWQUSEEVHVAA-AWEZNQCLSA-N 0 1 244.338 3.614 20 0 BHADMN CCC[C@@H](NCc1occc1C)c1cccnc1 ZINC000293285470 386797999 /nfs/dbraw/zinc/79/79/99/386797999.db2.gz DDCWQUSEEVHVAA-CQSZACIVSA-N 0 1 244.338 3.614 20 0 BHADMN Cc1sccc1CN(C)[C@H](C)c1ccncc1 ZINC000293552986 386835845 /nfs/dbraw/zinc/83/58/45/386835845.db2.gz HGOULUJQOXGVLS-LLVKDONJSA-N 0 1 246.379 3.645 20 0 BHADMN Cc1sccc1CN(C)[C@@H](C)c1ccncc1 ZINC000293552988 386836741 /nfs/dbraw/zinc/83/67/41/386836741.db2.gz HGOULUJQOXGVLS-NSHDSACASA-N 0 1 246.379 3.645 20 0 BHADMN CC[C@H](NCc1occc1C)c1cccc(F)c1 ZINC000293705143 388375635 /nfs/dbraw/zinc/37/56/35/388375635.db2.gz OPZSYDZKQOCCJX-AWEZNQCLSA-N 0 1 247.313 3.968 20 0 BHADMN CC[C@@H](NCc1occc1C)c1cccc(F)c1 ZINC000293705144 362973397 /nfs/dbraw/zinc/97/33/97/362973397.db2.gz OPZSYDZKQOCCJX-CQSZACIVSA-N 0 1 247.313 3.968 20 0 BHADMN Cc1sccc1CN(C)[C@H](C)c1ccccn1 ZINC000293709967 386867116 /nfs/dbraw/zinc/86/71/16/386867116.db2.gz UPACRMINNZPHEH-LLVKDONJSA-N 0 1 246.379 3.645 20 0 BHADMN Cc1sccc1CN(C)[C@@H](C)c1ccccn1 ZINC000293709972 386867526 /nfs/dbraw/zinc/86/75/26/386867526.db2.gz UPACRMINNZPHEH-NSHDSACASA-N 0 1 246.379 3.645 20 0 BHADMN Cc1sccc1CN(C)[C@H](C)c1cccnc1 ZINC000293760615 386875540 /nfs/dbraw/zinc/87/55/40/386875540.db2.gz YZMOGUBCDXNYRE-LLVKDONJSA-N 0 1 246.379 3.645 20 0 BHADMN Cc1sccc1CN(C)[C@@H](C)c1cccnc1 ZINC000293760617 386874028 /nfs/dbraw/zinc/87/40/28/386874028.db2.gz YZMOGUBCDXNYRE-NSHDSACASA-N 0 1 246.379 3.645 20 0 BHADMN Cc1ccoc1CN[C@H](C)c1sccc1C ZINC000293785015 398130538 /nfs/dbraw/zinc/13/05/38/398130538.db2.gz UBCDZMIROUSGGN-LLVKDONJSA-N 0 1 235.352 3.809 20 0 BHADMN Cc1ccoc1CN[C@@H](C)c1sccc1C ZINC000293785020 398130685 /nfs/dbraw/zinc/13/06/85/398130685.db2.gz UBCDZMIROUSGGN-NSHDSACASA-N 0 1 235.352 3.809 20 0 BHADMN CC(C)CC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000293808482 386882298 /nfs/dbraw/zinc/88/22/98/386882298.db2.gz DVMDVXBSBYSXRJ-AWEZNQCLSA-N 0 1 232.371 3.511 20 0 BHADMN CC(C)CC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000293808488 386881543 /nfs/dbraw/zinc/88/15/43/386881543.db2.gz DVMDVXBSBYSXRJ-CQSZACIVSA-N 0 1 232.371 3.511 20 0 BHADMN Cc1ccoc1CN(C)Cc1ccsc1C ZINC000293989754 385780852 /nfs/dbraw/zinc/78/08/52/385780852.db2.gz RZPFOTUFYUWMTC-UHFFFAOYSA-N 0 1 235.352 3.590 20 0 BHADMN Cc1cc([C@H](C)NCc2ccoc2)cs1 ZINC000294102784 178252739 /nfs/dbraw/zinc/25/27/39/178252739.db2.gz CDENGNWBZIXIBG-JTQLQIEISA-N 0 1 221.325 3.500 20 0 BHADMN Cc1cc([C@@H](C)NCc2ccoc2)cs1 ZINC000294102789 178229288 /nfs/dbraw/zinc/22/92/88/178229288.db2.gz CDENGNWBZIXIBG-SNVBAGLBSA-N 0 1 221.325 3.500 20 0 BHADMN Cc1sccc1CN[C@@H]1CCCc2occc21 ZINC000294174384 388395021 /nfs/dbraw/zinc/39/50/21/388395021.db2.gz QCYPZRZGNRZIPA-CYBMUJFWSA-N 0 1 247.363 3.817 20 0 BHADMN Cc1sccc1CN[C@H]1CCCc2occc21 ZINC000294174389 388395848 /nfs/dbraw/zinc/39/58/48/388395848.db2.gz QCYPZRZGNRZIPA-ZDUSSCGKSA-N 0 1 247.363 3.817 20 0 BHADMN CC[C@H](N[C@@H](C)c1ccccn1)c1ccsc1 ZINC000294195104 384389283 /nfs/dbraw/zinc/38/92/83/384389283.db2.gz GLDYNWWYJKSPOM-AAEUAGOBSA-N 0 1 246.379 3.945 20 0 BHADMN CC[C@@H](N[C@H](C)c1ccccn1)c1ccsc1 ZINC000294195105 345422366 /nfs/dbraw/zinc/42/23/66/345422366.db2.gz GLDYNWWYJKSPOM-DGCLKSJQSA-N 0 1 246.379 3.945 20 0 BHADMN CC[C@@H](N[C@@H](C)c1ccccn1)c1ccsc1 ZINC000294195107 345422413 /nfs/dbraw/zinc/42/24/13/345422413.db2.gz GLDYNWWYJKSPOM-WCQYABFASA-N 0 1 246.379 3.945 20 0 BHADMN CC[C@H](N[C@H](C)c1ccccn1)c1ccsc1 ZINC000294195109 384388641 /nfs/dbraw/zinc/38/86/41/384388641.db2.gz GLDYNWWYJKSPOM-YPMHNXCESA-N 0 1 246.379 3.945 20 0 BHADMN CCC[C@H](NCc1conc1C)c1ccccc1 ZINC000294224547 384680923 /nfs/dbraw/zinc/68/09/23/384680923.db2.gz SNBNLJVLVJOOIQ-HNNXBMFYSA-N 0 1 244.338 3.614 20 0 BHADMN CCC[C@@H](NCc1conc1C)c1ccccc1 ZINC000294224551 384680757 /nfs/dbraw/zinc/68/07/57/384680757.db2.gz SNBNLJVLVJOOIQ-OAHLLOKOSA-N 0 1 244.338 3.614 20 0 BHADMN Cc1cc([C@H](C)NCc2ccco2)cs1 ZINC000294236576 178252627 /nfs/dbraw/zinc/25/26/27/178252627.db2.gz OUAGFHMFEWOQQI-JTQLQIEISA-N 0 1 221.325 3.500 20 0 BHADMN Cc1cc([C@@H](C)NCc2ccco2)cs1 ZINC000294236579 178229601 /nfs/dbraw/zinc/22/96/01/178229601.db2.gz OUAGFHMFEWOQQI-SNVBAGLBSA-N 0 1 221.325 3.500 20 0 BHADMN Cc1cc([C@@H](C)N[C@@H](C)c2ccccn2)cs1 ZINC000294333673 178231739 /nfs/dbraw/zinc/23/17/39/178231739.db2.gz XWQYZOGJQUGHDM-NEPJUHHUSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1cc([C@H](C)N[C@H](C)c2ccccn2)cs1 ZINC000294333676 178258766 /nfs/dbraw/zinc/25/87/66/178258766.db2.gz XWQYZOGJQUGHDM-NWDGAFQWSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1cc([C@H](C)N[C@@H](C)c2ccccn2)cs1 ZINC000294333678 178253463 /nfs/dbraw/zinc/25/34/63/178253463.db2.gz XWQYZOGJQUGHDM-RYUDHWBXSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1cc([C@@H](C)N[C@H](C)c2ccccn2)cs1 ZINC000294333681 178232724 /nfs/dbraw/zinc/23/27/24/178232724.db2.gz XWQYZOGJQUGHDM-VXGBXAGGSA-N 0 1 246.379 3.863 20 0 BHADMN CC[C@@H](NCc1occc1C)c1ccsc1 ZINC000294378933 345947831 /nfs/dbraw/zinc/94/78/31/345947831.db2.gz HXXREMCQGIWUNB-GFCCVEGCSA-N 0 1 235.352 3.890 20 0 BHADMN CC[C@H](NCc1occc1C)c1ccsc1 ZINC000294378937 384785943 /nfs/dbraw/zinc/78/59/43/384785943.db2.gz HXXREMCQGIWUNB-LBPRGKRZSA-N 0 1 235.352 3.890 20 0 BHADMN CC[C@@H](NCc1ccoc1)c1ccsc1 ZINC000294387364 345967004 /nfs/dbraw/zinc/96/70/04/345967004.db2.gz JELORHDUZSMTBG-GFCCVEGCSA-N 0 1 221.325 3.582 20 0 BHADMN CC[C@H](NCc1ccoc1)c1ccsc1 ZINC000294387366 384795799 /nfs/dbraw/zinc/79/57/99/384795799.db2.gz JELORHDUZSMTBG-LBPRGKRZSA-N 0 1 221.325 3.582 20 0 BHADMN CC[C@@H](NCc1ccco1)c1ccsc1 ZINC000294399505 345985799 /nfs/dbraw/zinc/98/57/99/345985799.db2.gz LCYFBHWYPXSENZ-GFCCVEGCSA-N 0 1 221.325 3.582 20 0 BHADMN CC[C@H](NCc1ccco1)c1ccsc1 ZINC000294399507 384816115 /nfs/dbraw/zinc/81/61/15/384816115.db2.gz LCYFBHWYPXSENZ-LBPRGKRZSA-N 0 1 221.325 3.582 20 0 BHADMN Cc1cc(CN(C)[C@H](C)c2ccco2)cs1 ZINC000294573506 385869080 /nfs/dbraw/zinc/86/90/80/385869080.db2.gz PBDOXAZYLMVGCZ-LLVKDONJSA-N 0 1 235.352 3.843 20 0 BHADMN Cc1cc(CN(C)[C@@H](C)c2ccco2)cs1 ZINC000294573509 385869275 /nfs/dbraw/zinc/86/92/75/385869275.db2.gz PBDOXAZYLMVGCZ-NSHDSACASA-N 0 1 235.352 3.843 20 0 BHADMN Cc1cn[nH]c1CNc1cc(C)c(C)cc1Cl ZINC000294668767 178061345 /nfs/dbraw/zinc/06/13/45/178061345.db2.gz ARFDNOLMNUDDIH-UHFFFAOYSA-N 0 1 249.745 3.600 20 0 BHADMN Cc1[nH]ncc1CNc1cc(C)c(C)cc1Cl ZINC000294753017 178060745 /nfs/dbraw/zinc/06/07/45/178060745.db2.gz IJQJDJUZPLZEMK-UHFFFAOYSA-N 0 1 249.745 3.600 20 0 BHADMN CCN(Cc1csc(Cl)n1)C1CCCC1 ZINC000294776301 566322034 /nfs/dbraw/zinc/32/20/34/566322034.db2.gz ACTIWCLXTRZMGJ-UHFFFAOYSA-N 0 1 244.791 3.561 20 0 BHADMN Cc1cc(CN(C)[C@H](C)c2cccnc2)cs1 ZINC000294969412 385931725 /nfs/dbraw/zinc/93/17/25/385931725.db2.gz FKJJMUGDFURAIT-GFCCVEGCSA-N 0 1 246.379 3.645 20 0 BHADMN Cc1cc(CN(C)[C@@H](C)c2cccnc2)cs1 ZINC000294969413 385931872 /nfs/dbraw/zinc/93/18/72/385931872.db2.gz 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/nfs/dbraw/zinc/14/60/78/179146078.db2.gz MCONKEYJURLNBE-UHFFFAOYSA-N 0 1 246.741 3.698 20 0 BHADMN FCCNCc1cccc(Oc2ccccc2)c1 ZINC000302249469 229275243 /nfs/dbraw/zinc/27/52/43/229275243.db2.gz KBWMYLXMCKFJDL-UHFFFAOYSA-N 0 1 245.297 3.538 20 0 BHADMN Cc1cccc(NC[C@H](C)Cc2cccs2)n1 ZINC000302256602 386920478 /nfs/dbraw/zinc/92/04/78/386920478.db2.gz ZHZREFMQOJZSFZ-LLVKDONJSA-N 0 1 246.379 3.742 20 0 BHADMN Cc1cccc(NC[C@@H](C)Cc2cccs2)n1 ZINC000302256603 179147401 /nfs/dbraw/zinc/14/74/01/179147401.db2.gz ZHZREFMQOJZSFZ-NSHDSACASA-N 0 1 246.379 3.742 20 0 BHADMN CC(C)=CCNc1ccnc2cc(F)ccc21 ZINC000302659494 323314039 /nfs/dbraw/zinc/31/40/39/323314039.db2.gz DRKCCKOQTZJGQN-UHFFFAOYSA-N 0 1 230.286 3.752 20 0 BHADMN C[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000302737798 533691346 /nfs/dbraw/zinc/69/13/46/533691346.db2.gz GTQJEBBLASRASG-SECBINFHSA-N 0 1 229.776 3.633 20 0 BHADMN C[C@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000302737799 229285404 /nfs/dbraw/zinc/28/54/04/229285404.db2.gz GTQJEBBLASRASG-VIFPVBQESA-N 0 1 229.776 3.633 20 0 BHADMN COc1ccc([C@@H]2CCC[N@H+]2CC=C(C)C)cc1 ZINC000302741306 388848640 /nfs/dbraw/zinc/84/86/40/388848640.db2.gz AMJRMKZRBWGBNR-INIZCTEOSA-N 0 1 245.366 3.798 20 0 BHADMN COc1ccc([C@H]2CCC[N@H+]2CC=C(C)C)cc1 ZINC000302741307 388848040 /nfs/dbraw/zinc/84/80/40/388848040.db2.gz AMJRMKZRBWGBNR-MRXNPFEDSA-N 0 1 245.366 3.798 20 0 BHADMN CCN(Cc1cccs1)Cc1ccccc1F ZINC000302750296 528854947 /nfs/dbraw/zinc/85/49/47/528854947.db2.gz VSLBBMXSNSQPEE-UHFFFAOYSA-N 0 1 249.354 3.909 20 0 BHADMN CC(C)CCN(Cc1ccco1)Cc1ccco1 ZINC000302858218 166834321 /nfs/dbraw/zinc/83/43/21/166834321.db2.gz RSWJRNJBNSJDCJ-UHFFFAOYSA-N 0 1 247.338 3.921 20 0 BHADMN CN(Cc1c(F)cccc1Cl)C1CCCC1 ZINC000302874091 529974262 /nfs/dbraw/zinc/97/42/62/529974262.db2.gz BZGQNBJITLLOQX-UHFFFAOYSA-N 0 1 241.737 3.854 20 0 BHADMN CCCCC[N@@H+](C)Cc1ccccc1OCC ZINC000303673254 369431899 /nfs/dbraw/zinc/43/18/99/369431899.db2.gz GZKXFGPUQWYWIX-UHFFFAOYSA-N 0 1 235.371 3.707 20 0 BHADMN CC[C@@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000303754358 369434446 /nfs/dbraw/zinc/43/44/46/369434446.db2.gz GDEMDHHSYYNMPT-SECBINFHSA-N 0 1 220.341 3.762 20 0 BHADMN CC[C@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000303754360 369434797 /nfs/dbraw/zinc/43/47/97/369434797.db2.gz GDEMDHHSYYNMPT-VIFPVBQESA-N 0 1 220.341 3.762 20 0 BHADMN C[C@H](c1ccco1)[N@@H+](C)CCC1CCCC1 ZINC000303849734 369440028 /nfs/dbraw/zinc/44/00/28/369440028.db2.gz DIHXQILGPACMHG-GFCCVEGCSA-N 0 1 221.344 3.853 20 0 BHADMN C[C@@H](c1ccco1)[N@@H+](C)CCC1CCCC1 ZINC000303849735 369440170 /nfs/dbraw/zinc/44/01/70/369440170.db2.gz DIHXQILGPACMHG-LBPRGKRZSA-N 0 1 221.344 3.853 20 0 BHADMN CCc1c2ccccc2oc1[C@H](C)NCCF ZINC000305567564 384361504 /nfs/dbraw/zinc/36/15/04/384361504.db2.gz CMNFJJGCWITJIL-JTQLQIEISA-N 0 1 235.302 3.615 20 0 BHADMN CCc1c2ccccc2oc1[C@@H](C)NCCF ZINC000305567568 259305142 /nfs/dbraw/zinc/30/51/42/259305142.db2.gz CMNFJJGCWITJIL-SNVBAGLBSA-N 0 1 235.302 3.615 20 0 BHADMN Cc1nc2c(n1CCC1CCCC1)CCCC2 ZINC000305911467 343892328 /nfs/dbraw/zinc/89/23/28/343892328.db2.gz FTCNLZDKLZUZII-UHFFFAOYSA-N 0 1 232.371 3.651 20 0 BHADMN CCc1ccc(-c2cc([C@@H](N)C(C)C)on2)cc1 ZINC000305959019 642712881 /nfs/dbraw/zinc/71/28/81/642712881.db2.gz WKPQKEKDAWWLAJ-HNNXBMFYSA-N 0 1 244.338 3.560 20 0 BHADMN CCc1ccc(-c2cc([C@H](N)C(C)C)on2)cc1 ZINC000305959022 643283209 /nfs/dbraw/zinc/28/32/09/643283209.db2.gz WKPQKEKDAWWLAJ-OAHLLOKOSA-N 0 1 244.338 3.560 20 0 BHADMN Cc1nc2c(n1C[C@H](C)CC(C)C)CCCC2 ZINC000305964793 343919381 /nfs/dbraw/zinc/91/93/81/343919381.db2.gz OYNYZIDUHSMQKY-GFCCVEGCSA-N 0 1 234.387 3.753 20 0 BHADMN Cc1nc2c(n1C[C@@H](C)CC(C)C)CCCC2 ZINC000305964795 343919546 /nfs/dbraw/zinc/91/95/46/343919546.db2.gz OYNYZIDUHSMQKY-LBPRGKRZSA-N 0 1 234.387 3.753 20 0 BHADMN CCC[C@H](C)[N@H+]1CCC(C)=C(Br)C1 ZINC000306185194 635958323 /nfs/dbraw/zinc/95/83/23/635958323.db2.gz MNEBPIZWFKUUND-JTQLQIEISA-N 0 1 246.192 3.550 20 0 BHADMN CCC[C@@H](C)[N@H+]1CCC(C)=C(Br)C1 ZINC000306185199 635958505 /nfs/dbraw/zinc/95/85/05/635958505.db2.gz MNEBPIZWFKUUND-SNVBAGLBSA-N 0 1 246.192 3.550 20 0 BHADMN CN(C/C(Cl)=C/Cl)C1CCCCC1 ZINC000306292139 635963210 /nfs/dbraw/zinc/96/32/10/635963210.db2.gz UUMHDHFESAADNC-CLFYSBASSA-N 0 1 222.159 3.570 20 0 BHADMN Clc1sccc1CN[C@H]1C=CCCC1 ZINC000306440702 384727117 /nfs/dbraw/zinc/72/71/17/384727117.db2.gz KQLUXMRKKKQBFC-JTQLQIEISA-N 0 1 227.760 3.600 20 0 BHADMN Clc1sccc1CN[C@@H]1C=CCCC1 ZINC000306440704 384727679 /nfs/dbraw/zinc/72/76/79/384727679.db2.gz KQLUXMRKKKQBFC-SNVBAGLBSA-N 0 1 227.760 3.600 20 0 BHADMN CC[C@@H]1CC[C@H](C)N1C/C(Cl)=C/Cl ZINC000306456449 635965501 /nfs/dbraw/zinc/96/55/01/635965501.db2.gz SJYZYGLINMMFMG-PKKHPGAQSA-N 0 1 222.159 3.568 20 0 BHADMN CC[C@@H]1CC[C@@H](C)N1C/C(Cl)=C/Cl ZINC000306456450 635965721 /nfs/dbraw/zinc/96/57/21/635965721.db2.gz SJYZYGLINMMFMG-VGEVTBTPSA-N 0 1 222.159 3.568 20 0 BHADMN Cc1nccc(NCc2ccccc2)c1Cl ZINC000306496383 180200208 /nfs/dbraw/zinc/20/02/08/180200208.db2.gz XOCQTWSZEIUGIO-UHFFFAOYSA-N 0 1 232.714 3.656 20 0 BHADMN Cc1nccc(NCCC(C)C)c1Cl ZINC000306525241 180198326 /nfs/dbraw/zinc/19/83/26/180198326.db2.gz PPTNHZZDXCSMGI-UHFFFAOYSA-N 0 1 212.724 3.501 20 0 BHADMN CCNC1(c2c(Cl)cccc2Cl)CC1 ZINC000306570405 384777443 /nfs/dbraw/zinc/77/74/43/384777443.db2.gz MZOCTQXGTGQOBM-UHFFFAOYSA-N 0 1 230.138 3.592 20 0 BHADMN CN(C/C(Cl)=C/Cl)C1(C)CCCC1 ZINC000306707560 711460767 /nfs/dbraw/zinc/46/07/67/711460767.db2.gz MZOADUCPFKROTM-CLFYSBASSA-N 0 1 222.159 3.570 20 0 BHADMN CCC[C@@H](C)Nc1ccnc(C)c1Cl ZINC000307063583 490651960 /nfs/dbraw/zinc/65/19/60/490651960.db2.gz HDJPAQMULDAFLV-MRVPVSSYSA-N 0 1 212.724 3.644 20 0 BHADMN CCC[C@H](C)Nc1ccnc(C)c1Cl ZINC000307063584 490651718 /nfs/dbraw/zinc/65/17/18/490651718.db2.gz HDJPAQMULDAFLV-QMMMGPOBSA-N 0 1 212.724 3.644 20 0 BHADMN Cc1nccc(NCC(C)(C)C)c1Cl ZINC000307084555 135382700 /nfs/dbraw/zinc/38/27/00/135382700.db2.gz WLCMIWPNIAOBPU-UHFFFAOYSA-N 0 1 212.724 3.501 20 0 BHADMN CCC(CC)Nc1ccnc(C)c1Cl ZINC000307347887 384990733 /nfs/dbraw/zinc/99/07/33/384990733.db2.gz NJDFNFVNLCOEKZ-UHFFFAOYSA-N 0 1 212.724 3.644 20 0 BHADMN Cl/C=C(/Cl)CN1CCCCCCC1 ZINC000307357128 643447526 /nfs/dbraw/zinc/44/75/26/643447526.db2.gz WBMXPKBXSSYFHU-CSKARUKUSA-N 0 1 222.159 3.572 20 0 BHADMN CN(Cc1ccc(Cl)nc1Cl)C(C)(C)C ZINC000307419122 635986771 /nfs/dbraw/zinc/98/67/71/635986771.db2.gz GUPVMIWRUYCILS-UHFFFAOYSA-N 0 1 247.169 3.619 20 0 BHADMN Clc1sccc1CNCc1ccccc1 ZINC000307569867 385705314 /nfs/dbraw/zinc/70/53/14/385705314.db2.gz XXSKBKMGUCRBRT-UHFFFAOYSA-N 0 1 237.755 3.691 20 0 BHADMN Clc1cscc1CNCc1ccccc1 ZINC000307601549 635991131 /nfs/dbraw/zinc/99/11/31/635991131.db2.gz SGDJGUZVGREGEV-UHFFFAOYSA-N 0 1 237.755 3.691 20 0 BHADMN C[C@H]1CCCCCN1C/C(Cl)=C/Cl ZINC000307653425 643566404 /nfs/dbraw/zinc/56/64/04/643566404.db2.gz UJNNOIOBPHOZKP-CBFJXKFUSA-N 0 1 222.159 3.570 20 0 BHADMN C[C@@H]1CCCCCN1C/C(Cl)=C/Cl ZINC000307653426 643565926 /nfs/dbraw/zinc/56/59/26/643565926.db2.gz UJNNOIOBPHOZKP-SBMLRHLQSA-N 0 1 222.159 3.570 20 0 BHADMN C[C@@H](NC/C=C\Cl)c1ccc(Cl)s1 ZINC000308108963 642441400 /nfs/dbraw/zinc/44/14/00/642441400.db2.gz SBHGZVIXJSWHHX-BIPIGHIPSA-N 0 1 236.167 3.805 20 0 BHADMN C[C@H](NC/C=C\Cl)c1ccc(Cl)s1 ZINC000308108964 642369695 /nfs/dbraw/zinc/36/96/95/642369695.db2.gz SBHGZVIXJSWHHX-KVFVURRZSA-N 0 1 236.167 3.805 20 0 BHADMN CCCN(CC)Cc1cscc1Cl ZINC000308208491 491135214 /nfs/dbraw/zinc/13/52/14/491135214.db2.gz DXTRKAICPOEHLI-UHFFFAOYSA-N 0 1 217.765 3.633 20 0 BHADMN CCC(CC)N(CC)C/C(Cl)=C/Cl ZINC000308216857 642502740 /nfs/dbraw/zinc/50/27/40/642502740.db2.gz JSCGJVQCDXPJPU-CLFYSBASSA-N 0 1 224.175 3.816 20 0 BHADMN CCC(CC)N(CC)C/C(Cl)=C\Cl ZINC000308216859 642506463 /nfs/dbraw/zinc/50/64/63/642506463.db2.gz JSCGJVQCDXPJPU-VQHVLOKHSA-N 0 1 224.175 3.816 20 0 BHADMN CCCCN(C)Cc1ccsc1Cl ZINC000308217465 388433660 /nfs/dbraw/zinc/43/36/60/388433660.db2.gz JXGQQHISYHKTIS-UHFFFAOYSA-N 0 1 217.765 3.633 20 0 BHADMN CCN(C/C(Cl)=C\Cl)C1CCCC1 ZINC000308246379 631217083 /nfs/dbraw/zinc/21/70/83/631217083.db2.gz WHBLBQCUVRFWNU-VQHVLOKHSA-N 0 1 222.159 3.570 20 0 BHADMN CC[C@H](C)N(C/C=C\Cl)C/C=C\Cl ZINC000308301594 631274250 /nfs/dbraw/zinc/27/42/50/631274250.db2.gz MHIHXARDTDGOGB-KOZUUDBGSA-N 0 1 222.159 3.592 20 0 BHADMN CC[C@H](C)N(C/C=C/Cl)C/C=C\Cl ZINC000308301596 631273312 /nfs/dbraw/zinc/27/33/12/631273312.db2.gz MHIHXARDTDGOGB-LSJSYMQGSA-N 0 1 222.159 3.592 20 0 BHADMN CC[C@H](C)N(C/C=C/Cl)C/C=C/Cl ZINC000308301598 631273480 /nfs/dbraw/zinc/27/34/80/631273480.db2.gz MHIHXARDTDGOGB-RFPIMEFYSA-N 0 1 222.159 3.592 20 0 BHADMN CC[C@@H](C)N(C/C=C/Cl)C/C=C/Cl ZINC000308301600 631273891 /nfs/dbraw/zinc/27/38/91/631273891.db2.gz MHIHXARDTDGOGB-YZABNELQSA-N 0 1 222.159 3.592 20 0 BHADMN CC[C@@H](C)N(C)Cc1ccsc1Cl ZINC000308313882 384635020 /nfs/dbraw/zinc/63/50/20/384635020.db2.gz TZCVYYJZWDCTII-MRVPVSSYSA-N 0 1 217.765 3.632 20 0 BHADMN CC[C@@H](C)[N@@H+](C)Cc1ccsc1Cl ZINC000308313882 384635016 /nfs/dbraw/zinc/63/50/16/384635016.db2.gz TZCVYYJZWDCTII-MRVPVSSYSA-N 0 1 217.765 3.632 20 0 BHADMN CC[C@H](C)N(C)Cc1ccsc1Cl ZINC000308313883 171309388 /nfs/dbraw/zinc/30/93/88/171309388.db2.gz TZCVYYJZWDCTII-QMMMGPOBSA-N 0 1 217.765 3.632 20 0 BHADMN CC[C@@H](C)N(C)Cc1cscc1Cl ZINC000308314975 491136041 /nfs/dbraw/zinc/13/60/41/491136041.db2.gz UVBIMMFRWXDKMI-MRVPVSSYSA-N 0 1 217.765 3.632 20 0 BHADMN CC[C@H](C)N(C)Cc1cscc1Cl ZINC000308314976 491136053 /nfs/dbraw/zinc/13/60/53/491136053.db2.gz UVBIMMFRWXDKMI-QMMMGPOBSA-N 0 1 217.765 3.632 20 0 BHADMN CN(C/C(Cl)=C\Cl)C1(C)CCCC1 ZINC000308415339 631328778 /nfs/dbraw/zinc/32/87/78/631328778.db2.gz MZOADUCPFKROTM-VQHVLOKHSA-N 0 1 222.159 3.570 20 0 BHADMN CN(C/C(Cl)=C\Cl)C1CCCCC1 ZINC000308433277 631331648 /nfs/dbraw/zinc/33/16/48/631331648.db2.gz UUMHDHFESAADNC-VQHVLOKHSA-N 0 1 222.159 3.570 20 0 BHADMN CCN(CC)Cc1cc(Cl)ccc1Cl ZINC000308486032 528186593 /nfs/dbraw/zinc/18/65/93/528186593.db2.gz OIAUZTVBHSESTN-UHFFFAOYSA-N 0 1 232.154 3.835 20 0 BHADMN CC[C@@H](F)CN[C@@H](C)c1ccc(Cl)s1 ZINC000308488390 529553235 /nfs/dbraw/zinc/55/32/35/529553235.db2.gz ASKVLJIBWWSIMZ-JGVFFNPUSA-N 0 1 235.755 3.800 20 0 BHADMN CC[C@H](F)CN[C@@H](C)c1ccc(Cl)s1 ZINC000308488392 529437855 /nfs/dbraw/zinc/43/78/55/529437855.db2.gz ASKVLJIBWWSIMZ-YUMQZZPRSA-N 0 1 235.755 3.800 20 0 BHADMN CC[C@@H]1CC[C@@H](C)N1C/C(Cl)=C\Cl ZINC000308493607 631402275 /nfs/dbraw/zinc/40/22/75/631402275.db2.gz SJYZYGLINMMFMG-GCWOIFJASA-N 0 1 222.159 3.568 20 0 BHADMN CC[C@@H]1CC[C@H](C)N1C/C(Cl)=C\Cl ZINC000308493608 631403598 /nfs/dbraw/zinc/40/35/98/631403598.db2.gz SJYZYGLINMMFMG-YSPXFBHJSA-N 0 1 222.159 3.568 20 0 BHADMN Clc1sccc1CNCc1cccs1 ZINC000308522029 384774848 /nfs/dbraw/zinc/77/48/48/384774848.db2.gz UERXATOPDGVBGT-UHFFFAOYSA-N 0 1 243.784 3.753 20 0 BHADMN CCN(CC)Cc1cccc(Cl)c1Cl ZINC000308522489 528195938 /nfs/dbraw/zinc/19/59/38/528195938.db2.gz YTBJCQGIECBNFE-UHFFFAOYSA-N 0 1 232.154 3.835 20 0 BHADMN CC[C@@H](F)CN[C@H](C)c1ccc(Cl)s1 ZINC000308566230 529553693 /nfs/dbraw/zinc/55/36/93/529553693.db2.gz ASKVLJIBWWSIMZ-HTQZYQBOSA-N 0 1 235.755 3.800 20 0 BHADMN CC[C@H](F)CN[C@H](C)c1ccc(Cl)s1 ZINC000308566231 388443340 /nfs/dbraw/zinc/44/33/40/388443340.db2.gz ASKVLJIBWWSIMZ-SFYZADRCSA-N 0 1 235.755 3.800 20 0 BHADMN Clc1cscc1CNCc1cccs1 ZINC000308717107 631533868 /nfs/dbraw/zinc/53/38/68/631533868.db2.gz BSYWSVNAKZELNH-UHFFFAOYSA-N 0 1 243.784 3.753 20 0 BHADMN CCCC(CCC)NC(C)(C)C(F)F ZINC000308721085 491137864 /nfs/dbraw/zinc/13/78/64/491137864.db2.gz DEHGMCJRUPSCQH-UHFFFAOYSA-N 0 1 207.308 3.589 20 0 BHADMN CC(C)=CCC[C@H](C)NC(C)(C)C(F)F ZINC000308826423 491138244 /nfs/dbraw/zinc/13/82/44/491138244.db2.gz DTWDDNZATNYBJG-JTQLQIEISA-N 0 1 219.319 3.755 20 0 BHADMN CC(C)=CCC[C@@H](C)NC(C)(C)C(F)F ZINC000308826425 491138284 /nfs/dbraw/zinc/13/82/84/491138284.db2.gz DTWDDNZATNYBJG-SNVBAGLBSA-N 0 1 219.319 3.755 20 0 BHADMN CC(C)=CCCNc1ccnc(C)c1Cl ZINC000308830127 188165559 /nfs/dbraw/zinc/16/55/59/188165559.db2.gz FXIABLLWACFYGR-UHFFFAOYSA-N 0 1 224.735 3.812 20 0 BHADMN Cc1nccc(NC2CCCCC2)c1Cl ZINC000308848582 229253366 /nfs/dbraw/zinc/25/33/66/229253366.db2.gz MBHTUPCDWUCCEP-UHFFFAOYSA-N 0 1 224.735 3.788 20 0 BHADMN Cc1nccc(N[C@@H]2CCC[C@H]2C)c1Cl ZINC000308851448 229253256 /nfs/dbraw/zinc/25/32/56/229253256.db2.gz MXFMQVHRKXNUJC-PSASIEDQSA-N 0 1 224.735 3.644 20 0 BHADMN Cc1nccc(N[C@H]2CCC[C@H]2C)c1Cl ZINC000308851450 229253729 /nfs/dbraw/zinc/25/37/29/229253729.db2.gz MXFMQVHRKXNUJC-SCZZXKLOSA-N 0 1 224.735 3.644 20 0 BHADMN Cc1nccc(N[C@@H]2CCC[C@@H]2C)c1Cl ZINC000308851452 229253776 /nfs/dbraw/zinc/25/37/76/229253776.db2.gz MXFMQVHRKXNUJC-WCBMZHEXSA-N 0 1 224.735 3.644 20 0 BHADMN Cc1nccc(N[C@H]2CCC[C@@H]2C)c1Cl ZINC000308851454 229253834 /nfs/dbraw/zinc/25/38/34/229253834.db2.gz MXFMQVHRKXNUJC-WPRPVWTQSA-N 0 1 224.735 3.644 20 0 BHADMN CCCC[C@@H](C)N(C)Cc1cnc(Cl)s1 ZINC000308868087 632013968 /nfs/dbraw/zinc/01/39/68/632013968.db2.gz RJCWBMDOASWXGP-SECBINFHSA-N 0 1 246.807 3.807 20 0 BHADMN CCCC[C@H](C)N(C)Cc1cnc(Cl)s1 ZINC000308868388 631697873 /nfs/dbraw/zinc/69/78/73/631697873.db2.gz RJCWBMDOASWXGP-VIFPVBQESA-N 0 1 246.807 3.807 20 0 BHADMN CCC1(CNc2ccnc(C)c2Cl)CC1 ZINC000308869497 385225734 /nfs/dbraw/zinc/22/57/34/385225734.db2.gz RTBSFPBMJNHAHX-UHFFFAOYSA-N 0 1 224.735 3.646 20 0 BHADMN FCCNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000308879667 229254457 /nfs/dbraw/zinc/25/44/57/229254457.db2.gz PKPVVMXCPWKTNK-UHFFFAOYSA-N 0 1 248.128 3.542 20 0 BHADMN Cl/C=C\CNC1(c2ccc(Cl)cc2)CC1 ZINC000308887795 632085860 /nfs/dbraw/zinc/08/58/60/632085860.db2.gz UWKDYTSCHJUZKG-QPIMQUGISA-N 0 1 242.149 3.671 20 0 BHADMN Cl/C=C/CNC1(c2ccc(Cl)cc2)CC1 ZINC000308887798 632085938 /nfs/dbraw/zinc/08/59/38/632085938.db2.gz UWKDYTSCHJUZKG-UNXLUWIOSA-N 0 1 242.149 3.671 20 0 BHADMN Cc1nccc(NCCSC(C)C)c1Cl ZINC000308892517 180198679 /nfs/dbraw/zinc/19/86/79/180198679.db2.gz YIWZWMJQLYHMDU-UHFFFAOYSA-N 0 1 244.791 3.597 20 0 BHADMN CCC(CC)CNC1(C(F)F)CCCC1 ZINC000308913245 491140121 /nfs/dbraw/zinc/14/01/21/491140121.db2.gz FEXBFAJYOBRLSG-UHFFFAOYSA-N 0 1 219.319 3.590 20 0 BHADMN FCCN[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000308913711 229259131 /nfs/dbraw/zinc/25/91/31/229259131.db2.gz GKFYUPVWNPGMBZ-LLVKDONJSA-N 0 1 248.128 3.540 20 0 BHADMN FCCN[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000308913716 229259373 /nfs/dbraw/zinc/25/93/73/229259373.db2.gz GKFYUPVWNPGMBZ-NSHDSACASA-N 0 1 248.128 3.540 20 0 BHADMN CC(C)CCC[C@H](C)NC(C)(C)C(F)F ZINC000308918666 491140213 /nfs/dbraw/zinc/14/02/13/491140213.db2.gz BSJAKTIJLBFEDJ-JTQLQIEISA-N 0 1 221.335 3.835 20 0 BHADMN CC(C)CCC[C@@H](C)NC(C)(C)C(F)F ZINC000308918667 491140206 /nfs/dbraw/zinc/14/02/06/491140206.db2.gz BSJAKTIJLBFEDJ-SNVBAGLBSA-N 0 1 221.335 3.835 20 0 BHADMN CC[C@@H](F)CN[C@H](C)c1ccccc1Cl ZINC000308938828 529553577 /nfs/dbraw/zinc/55/35/77/529553577.db2.gz LOJZYIARCMZZHR-NXEZZACHSA-N 0 1 229.726 3.739 20 0 BHADMN CC[C@H](F)CN[C@@H](C)c1ccccc1Cl ZINC000308938829 529438794 /nfs/dbraw/zinc/43/87/94/529438794.db2.gz LOJZYIARCMZZHR-UWVGGRQHSA-N 0 1 229.726 3.739 20 0 BHADMN CC[C@@H](F)CN[C@@H](C)c1ccccc1Cl ZINC000308938830 529553070 /nfs/dbraw/zinc/55/30/70/529553070.db2.gz LOJZYIARCMZZHR-VHSXEESVSA-N 0 1 229.726 3.739 20 0 BHADMN CC[C@H](F)CN[C@H](C)c1ccccc1Cl ZINC000308938833 529438822 /nfs/dbraw/zinc/43/88/22/529438822.db2.gz LOJZYIARCMZZHR-ZJUUUORDSA-N 0 1 229.726 3.739 20 0 BHADMN CCCC(CCC)N[C@@H]1CCCC1(F)F ZINC000308965799 491141442 /nfs/dbraw/zinc/14/14/42/491141442.db2.gz VMNLFIICSAITCC-LLVKDONJSA-N 0 1 219.319 3.733 20 0 BHADMN CCCC(CCC)N[C@H]1CCCC1(F)F ZINC000308965800 491141498 /nfs/dbraw/zinc/14/14/98/491141498.db2.gz VMNLFIICSAITCC-NSHDSACASA-N 0 1 219.319 3.733 20 0 BHADMN CCC1CCC(NC(C)(C)C(F)F)CC1 ZINC000308968084 491141228 /nfs/dbraw/zinc/14/12/28/491141228.db2.gz XFPADKIGZPUQOJ-UHFFFAOYSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H]1CCC[C@@H](NC(C)(C)C(F)F)C1 ZINC000308970626 491141265 /nfs/dbraw/zinc/14/12/65/491141265.db2.gz ZEIWRWGSFZDOTD-NXEZZACHSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H]1CCC[C@H](NC(C)(C)C(F)F)C1 ZINC000308970627 491141303 /nfs/dbraw/zinc/14/13/03/491141303.db2.gz ZEIWRWGSFZDOTD-UWVGGRQHSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H]1CCC[C@@H](NC(C)(C)C(F)F)C1 ZINC000308970628 491141282 /nfs/dbraw/zinc/14/12/82/491141282.db2.gz ZEIWRWGSFZDOTD-VHSXEESVSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H]1CCC[C@H](NC(C)(C)C(F)F)C1 ZINC000308970629 491141295 /nfs/dbraw/zinc/14/12/95/491141295.db2.gz ZEIWRWGSFZDOTD-ZJUUUORDSA-N 0 1 219.319 3.589 20 0 BHADMN CC(C)(NC1CCC(C)(C)CC1)C(F)F ZINC000308974157 491141662 /nfs/dbraw/zinc/14/16/62/491141662.db2.gz GBFWSYXBSWBARA-UHFFFAOYSA-N 0 1 219.319 3.589 20 0 BHADMN Cc1nccc(N[C@@H]2CC[C@@H](C)C2)c1Cl ZINC000308977151 229286361 /nfs/dbraw/zinc/28/63/61/229286361.db2.gz CLZLPIZSBNFODM-PSASIEDQSA-N 0 1 224.735 3.644 20 0 BHADMN Cc1nccc(N[C@H]2CC[C@@H](C)C2)c1Cl ZINC000308977152 229286990 /nfs/dbraw/zinc/28/69/90/229286990.db2.gz CLZLPIZSBNFODM-SCZZXKLOSA-N 0 1 224.735 3.644 20 0 BHADMN Cc1nccc(N[C@@H]2CC[C@H](C)C2)c1Cl ZINC000308977153 229286551 /nfs/dbraw/zinc/28/65/51/229286551.db2.gz CLZLPIZSBNFODM-WCBMZHEXSA-N 0 1 224.735 3.644 20 0 BHADMN Cc1nccc(N[C@H]2CC[C@H](C)C2)c1Cl ZINC000308977154 229287157 /nfs/dbraw/zinc/28/71/57/229287157.db2.gz CLZLPIZSBNFODM-WPRPVWTQSA-N 0 1 224.735 3.644 20 0 BHADMN Cc1nccc(N[C@H](C)C2CCC2)c1Cl ZINC000308993220 491051123 /nfs/dbraw/zinc/05/11/23/491051123.db2.gz IVSFPQYJWHVWBC-MRVPVSSYSA-N 0 1 224.735 3.644 20 0 BHADMN Cc1nccc(N[C@@H](C)C2CCC2)c1Cl ZINC000308993221 491142037 /nfs/dbraw/zinc/14/20/37/491142037.db2.gz IVSFPQYJWHVWBC-QMMMGPOBSA-N 0 1 224.735 3.644 20 0 BHADMN CSCCCCNc1ccnc(C)c1Cl ZINC000308994235 385335989 /nfs/dbraw/zinc/33/59/89/385335989.db2.gz JGHKSLXGHABGEK-UHFFFAOYSA-N 0 1 244.791 3.599 20 0 BHADMN Cc1nccc(NCCCC2CC2)c1Cl ZINC000308995892 323081707 /nfs/dbraw/zinc/08/17/07/323081707.db2.gz JTXVADQVLSVRLF-UHFFFAOYSA-N 0 1 224.735 3.646 20 0 BHADMN CC(C)CCCNC1(C(F)F)CCCC1 ZINC000308996646 491142042 /nfs/dbraw/zinc/14/20/42/491142042.db2.gz MSRNWQQDUTUYJG-UHFFFAOYSA-N 0 1 219.319 3.590 20 0 BHADMN C[C@H](CC1CCCC1)NC(C)(C)C(F)F ZINC000308998725 491141444 /nfs/dbraw/zinc/14/14/44/491141444.db2.gz NJOKNGUFXZAQSA-SECBINFHSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@@H](CC1CCCC1)NC(C)(C)C(F)F ZINC000308998726 491141463 /nfs/dbraw/zinc/14/14/63/491141463.db2.gz NJOKNGUFXZAQSA-VIFPVBQESA-N 0 1 219.319 3.589 20 0 BHADMN C[C@@H](NC/C=C/Cl)c1ccc(Cl)c(F)c1 ZINC000309006874 633841481 /nfs/dbraw/zinc/84/14/81/633841481.db2.gz QFGGRMMJLYRGJQ-IBDUZEINSA-N 0 1 248.128 3.882 20 0 BHADMN C[C@H](NC/C=C/Cl)c1ccc(Cl)c(F)c1 ZINC000309006875 631799832 /nfs/dbraw/zinc/79/98/32/631799832.db2.gz QFGGRMMJLYRGJQ-NCJLJLRUSA-N 0 1 248.128 3.882 20 0 BHADMN C[C@H](NC/C=C\Cl)c1ccc(Cl)c(F)c1 ZINC000309006876 631799625 /nfs/dbraw/zinc/79/96/25/631799625.db2.gz QFGGRMMJLYRGJQ-YAPUSRSVSA-N 0 1 248.128 3.882 20 0 BHADMN C[C@@H](NC/C=C\Cl)c1ccc(Cl)c(F)c1 ZINC000309006877 631798563 /nfs/dbraw/zinc/79/85/63/631798563.db2.gz QFGGRMMJLYRGJQ-ZTHSNPKKSA-N 0 1 248.128 3.882 20 0 BHADMN CSCC[C@@H](C)Nc1ccnc(C)c1Cl ZINC000309015519 631801668 /nfs/dbraw/zinc/80/16/68/631801668.db2.gz QUUIPGCEUYNUMQ-MRVPVSSYSA-N 0 1 244.791 3.597 20 0 BHADMN CSCC[C@H](C)Nc1ccnc(C)c1Cl ZINC000309015520 631801157 /nfs/dbraw/zinc/80/11/57/631801157.db2.gz QUUIPGCEUYNUMQ-QMMMGPOBSA-N 0 1 244.791 3.597 20 0 BHADMN CC(C)CC[C@@H](C)N[C@@H]1CCCC1(F)F ZINC000309018767 491142462 /nfs/dbraw/zinc/14/24/62/491142462.db2.gz VSMWIISDMHRGPR-GHMZBOCLSA-N 0 1 219.319 3.589 20 0 BHADMN CC(C)CC[C@@H](C)N[C@H]1CCCC1(F)F ZINC000309018768 491142481 /nfs/dbraw/zinc/14/24/81/491142481.db2.gz VSMWIISDMHRGPR-MNOVXSKESA-N 0 1 219.319 3.589 20 0 BHADMN CC(C)CC[C@H](C)N[C@H]1CCCC1(F)F ZINC000309018769 491142464 /nfs/dbraw/zinc/14/24/64/491142464.db2.gz VSMWIISDMHRGPR-QWRGUYRKSA-N 0 1 219.319 3.589 20 0 BHADMN CC(C)CC[C@H](C)N[C@@H]1CCCC1(F)F ZINC000309018770 491142517 /nfs/dbraw/zinc/14/25/17/491142517.db2.gz VSMWIISDMHRGPR-WDEREUQCSA-N 0 1 219.319 3.589 20 0 BHADMN CSC(C)(C)CNc1ccnc(C)c1Cl ZINC000309027866 631809869 /nfs/dbraw/zinc/80/98/69/631809869.db2.gz ZFDUTTIXKOOOIC-UHFFFAOYSA-N 0 1 244.791 3.597 20 0 BHADMN C/C=C/CN[C@H](C)c1ccc(F)cc1Cl ZINC000309035941 491143065 /nfs/dbraw/zinc/14/30/65/491143065.db2.gz ICMPBEDPSHHOHG-CDAZIORVSA-N 0 1 227.710 3.706 20 0 BHADMN C/C=C/CN[C@@H](C)c1ccc(F)cc1Cl ZINC000309035942 491051964 /nfs/dbraw/zinc/05/19/64/491051964.db2.gz ICMPBEDPSHHOHG-NWALNABHSA-N 0 1 227.710 3.706 20 0 BHADMN C/C=C\CN[C@@H](C)c1ccc(F)cc1Cl ZINC000309035943 491143051 /nfs/dbraw/zinc/14/30/51/491143051.db2.gz ICMPBEDPSHHOHG-TYRPZCRBSA-N 0 1 227.710 3.706 20 0 BHADMN C/C=C\CN[C@H](C)c1ccc(F)cc1Cl ZINC000309035944 491143057 /nfs/dbraw/zinc/14/30/57/491143057.db2.gz ICMPBEDPSHHOHG-ZBJFTSOASA-N 0 1 227.710 3.706 20 0 BHADMN Cc1occc1CNCc1cc(Cl)cs1 ZINC000309072655 633848287 /nfs/dbraw/zinc/84/82/87/633848287.db2.gz GHVGGQMGUKNQOJ-UHFFFAOYSA-N 0 1 241.743 3.593 20 0 BHADMN CC(C)[C@@H](NCCF)c1ccccc1Cl ZINC000309072888 259369232 /nfs/dbraw/zinc/36/92/32/259369232.db2.gz GSGFOJCDWVNWTQ-GFCCVEGCSA-N 0 1 229.726 3.596 20 0 BHADMN CC(C)[C@H](NCCF)c1ccccc1Cl ZINC000309072889 529121053 /nfs/dbraw/zinc/12/10/53/529121053.db2.gz GSGFOJCDWVNWTQ-LBPRGKRZSA-N 0 1 229.726 3.596 20 0 BHADMN CC(C)C(CNC(C)(C)C(F)F)C(C)C ZINC000309087429 491144322 /nfs/dbraw/zinc/14/43/22/491144322.db2.gz ZOFRYHWLVVWJBD-UHFFFAOYSA-N 0 1 221.335 3.548 20 0 BHADMN CCCN(Cc1csc(Cl)n1)CC(C)C ZINC000309090659 631875158 /nfs/dbraw/zinc/87/51/58/631875158.db2.gz DJFDOCXTWPCWTR-UHFFFAOYSA-N 0 1 246.807 3.665 20 0 BHADMN CCCCC[C@@H](C)N[C@@H]1CCCC1(F)F ZINC000309093221 631879625 /nfs/dbraw/zinc/87/96/25/631879625.db2.gz CZAZALMHAUIONU-GHMZBOCLSA-N 0 1 219.319 3.733 20 0 BHADMN CCCCC[C@@H](C)N[C@H]1CCCC1(F)F ZINC000309093222 631879269 /nfs/dbraw/zinc/87/92/69/631879269.db2.gz CZAZALMHAUIONU-MNOVXSKESA-N 0 1 219.319 3.733 20 0 BHADMN CCCCC[C@H](C)N[C@H]1CCCC1(F)F ZINC000309093223 631879721 /nfs/dbraw/zinc/87/97/21/631879721.db2.gz CZAZALMHAUIONU-QWRGUYRKSA-N 0 1 219.319 3.733 20 0 BHADMN CCCCC[C@H](C)N[C@@H]1CCCC1(F)F ZINC000309093224 711661846 /nfs/dbraw/zinc/66/18/46/711661846.db2.gz CZAZALMHAUIONU-WDEREUQCSA-N 0 1 219.319 3.733 20 0 BHADMN C[C@H](N[C@@H]1C=CCCCCC1)c1nccs1 ZINC000309134541 385105425 /nfs/dbraw/zinc/10/54/25/385105425.db2.gz BQDXTZBWPGKJMB-NWDGAFQWSA-N 0 1 236.384 3.683 20 0 BHADMN C[C@H](N[C@H]1C=CCCCCC1)c1nccs1 ZINC000309134542 385105884 /nfs/dbraw/zinc/10/58/84/385105884.db2.gz BQDXTZBWPGKJMB-RYUDHWBXSA-N 0 1 236.384 3.683 20 0 BHADMN Cc1occc1CN[C@H](C)c1ccsc1 ZINC000309135235 491145383 /nfs/dbraw/zinc/14/53/83/491145383.db2.gz RYEMSGUKFPGWEV-SECBINFHSA-N 0 1 221.325 3.500 20 0 BHADMN Cc1occc1CN[C@@H](C)c1ccsc1 ZINC000309135243 491145398 /nfs/dbraw/zinc/14/53/98/491145398.db2.gz RYEMSGUKFPGWEV-VIFPVBQESA-N 0 1 221.325 3.500 20 0 BHADMN Cc1nccc(NCCC2(C)CC2)c1Cl ZINC000309176275 180197997 /nfs/dbraw/zinc/19/79/97/180197997.db2.gz MTURWQFIOFFGHS-UHFFFAOYSA-N 0 1 224.735 3.646 20 0 BHADMN CC[C@@H](C)C[C@@H](CC)NC1(C(F)F)CC1 ZINC000309220170 259311517 /nfs/dbraw/zinc/31/15/17/259311517.db2.gz VBVQBGFVOVBHSH-NXEZZACHSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](C)C[C@H](CC)NC1(C(F)F)CC1 ZINC000309220174 259311536 /nfs/dbraw/zinc/31/15/36/259311536.db2.gz VBVQBGFVOVBHSH-UWVGGRQHSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](C[C@@H](C)CC)NC1(C(F)F)CC1 ZINC000309220178 259311650 /nfs/dbraw/zinc/31/16/50/259311650.db2.gz VBVQBGFVOVBHSH-VHSXEESVSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H](C)C[C@H](CC)NC1(C(F)F)CC1 ZINC000309220182 259311724 /nfs/dbraw/zinc/31/17/24/259311724.db2.gz VBVQBGFVOVBHSH-ZJUUUORDSA-N 0 1 219.319 3.589 20 0 BHADMN CCN(Cc1cccnc1Cl)CC(C)(C)C ZINC000309259930 632853419 /nfs/dbraw/zinc/85/34/19/632853419.db2.gz BPMLRFQQDPQUAT-UHFFFAOYSA-N 0 1 240.778 3.603 20 0 BHADMN CC(C)(NC[C@H]1CCCC(C)(C)C1)C(F)F ZINC000309314457 491146753 /nfs/dbraw/zinc/14/67/53/491146753.db2.gz CSTWSSNMGWSVJD-JTQLQIEISA-N 0 1 233.346 3.836 20 0 BHADMN CC(C)(NC[C@@H]1CCCC(C)(C)C1)C(F)F ZINC000309314459 491146772 /nfs/dbraw/zinc/14/67/72/491146772.db2.gz 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3.612 20 0 BHADMN CC1(C)CCCC[C@H]1N[C@@H]1CCCC1(F)F ZINC000309394692 491148169 /nfs/dbraw/zinc/14/81/69/491148169.db2.gz GISZPOBCMWQJTA-GHMZBOCLSA-N 0 1 231.330 3.733 20 0 BHADMN CC1(C)CCCC[C@H]1N[C@H]1CCCC1(F)F ZINC000309394695 491148158 /nfs/dbraw/zinc/14/81/58/491148158.db2.gz GISZPOBCMWQJTA-MNOVXSKESA-N 0 1 231.330 3.733 20 0 BHADMN CC1(C)CCCC[C@@H]1N[C@H]1CCCC1(F)F ZINC000309394697 491148185 /nfs/dbraw/zinc/14/81/85/491148185.db2.gz GISZPOBCMWQJTA-QWRGUYRKSA-N 0 1 231.330 3.733 20 0 BHADMN CC1(C)CCCC[C@@H]1N[C@@H]1CCCC1(F)F ZINC000309394698 491148155 /nfs/dbraw/zinc/14/81/55/491148155.db2.gz GISZPOBCMWQJTA-WDEREUQCSA-N 0 1 231.330 3.733 20 0 BHADMN Cc1ccoc1CNc1ccnc(C)c1Cl ZINC000309445624 385587370 /nfs/dbraw/zinc/58/73/70/385587370.db2.gz MVKCWHNPRTUQMZ-UHFFFAOYSA-N 0 1 236.702 3.557 20 0 BHADMN C[C@@H](NC/C=C\Cl)c1cc2ccccc2o1 ZINC000309448957 633918831 /nfs/dbraw/zinc/91/88/31/633918831.db2.gz MBJVKWNZNDREDJ-ISGFRBBESA-N 0 1 235.714 3.836 20 0 BHADMN 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/nfs/dbraw/zinc/15/19/80/491151980.db2.gz OJLQGFSKXHWVKC-PWSUYJOCSA-N 0 1 231.330 3.733 20 0 BHADMN C[C@H](CC1CCCC1)N[C@@H]1CCCC1(F)F ZINC000309574015 491151966 /nfs/dbraw/zinc/15/19/66/491151966.db2.gz OJLQGFSKXHWVKC-ZYHUDNBSSA-N 0 1 231.330 3.733 20 0 BHADMN FC(F)C1(NCC2CCCCC2)CCCC1 ZINC000309579010 491152117 /nfs/dbraw/zinc/15/21/17/491152117.db2.gz PSBVWNKZTPDDGJ-UHFFFAOYSA-N 0 1 231.330 3.734 20 0 BHADMN FCCCCCNC1(C(F)F)CCCCC1 ZINC000309580034 388458195 /nfs/dbraw/zinc/45/81/95/388458195.db2.gz PYVBAOHSSOWTFV-UHFFFAOYSA-N 0 1 237.309 3.684 20 0 BHADMN FC1(F)CCC[C@H]1NC1CCCCCCC1 ZINC000309580063 632548149 /nfs/dbraw/zinc/54/81/49/632548149.db2.gz PZGDZXMFUODUJH-GFCCVEGCSA-N 0 1 231.330 3.877 20 0 BHADMN FC1(F)CCC[C@@H]1NC1CCCCCCC1 ZINC000309580065 632547034 /nfs/dbraw/zinc/54/70/34/632547034.db2.gz PZGDZXMFUODUJH-LBPRGKRZSA-N 0 1 231.330 3.877 20 0 BHADMN CC(C)(N[C@@H]1CCC[C@@H](C2CC2)C1)C(F)F ZINC000309671665 491153636 /nfs/dbraw/zinc/15/36/36/491153636.db2.gz KBUAHFPMNPQYHG-GHMZBOCLSA-N 0 1 231.330 3.589 20 0 BHADMN CC(C)(N[C@H]1CCC[C@@H](C2CC2)C1)C(F)F ZINC000309671666 491153644 /nfs/dbraw/zinc/15/36/44/491153644.db2.gz KBUAHFPMNPQYHG-MNOVXSKESA-N 0 1 231.330 3.589 20 0 BHADMN CC(C)(N[C@H]1CCC[C@H](C2CC2)C1)C(F)F ZINC000309671667 491153597 /nfs/dbraw/zinc/15/35/97/491153597.db2.gz KBUAHFPMNPQYHG-QWRGUYRKSA-N 0 1 231.330 3.589 20 0 BHADMN CC(C)(N[C@@H]1CCC[C@H](C2CC2)C1)C(F)F ZINC000309671668 491153592 /nfs/dbraw/zinc/15/35/92/491153592.db2.gz KBUAHFPMNPQYHG-WDEREUQCSA-N 0 1 231.330 3.589 20 0 BHADMN Cc1ccc(CNC(C)(C)c2cccs2)o1 ZINC000309691368 385795012 /nfs/dbraw/zinc/79/50/12/385795012.db2.gz JMIHQPLKLOJFRL-UHFFFAOYSA-N 0 1 235.352 3.674 20 0 BHADMN CC(C)(NCCCC1CCCCC1)C(F)F ZINC000309696436 491154668 /nfs/dbraw/zinc/15/46/68/491154668.db2.gz RMHCMIPDFLBJSG-UHFFFAOYSA-N 0 1 233.346 3.980 20 0 BHADMN CC(C)[C@@H](NCCF)c1ccc(Cl)cc1F ZINC000309707054 384214000 /nfs/dbraw/zinc/21/40/00/384214000.db2.gz VSVAPWTZARPJQW-GFCCVEGCSA-N 0 1 247.716 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C[C@@H]1CCC[C@H](CN[C@H]2CCCC2(F)F)C1 ZINC000309772823 491156139 /nfs/dbraw/zinc/15/61/39/491156139.db2.gz KWWZZYQAUHWRRQ-WOPDTQHZSA-N 0 1 231.330 3.590 20 0 BHADMN CC1(C)CCC[C@@H](N[C@@H]2CCCC2(F)F)C1 ZINC000309804938 491156871 /nfs/dbraw/zinc/15/68/71/491156871.db2.gz RXRNRQJSMKAOQG-GHMZBOCLSA-N 0 1 231.330 3.733 20 0 BHADMN CC1(C)CCC[C@@H](N[C@H]2CCCC2(F)F)C1 ZINC000309804939 491156888 /nfs/dbraw/zinc/15/68/88/491156888.db2.gz RXRNRQJSMKAOQG-MNOVXSKESA-N 0 1 231.330 3.733 20 0 BHADMN CC1(C)CCC[C@H](N[C@H]2CCCC2(F)F)C1 ZINC000309804941 491156901 /nfs/dbraw/zinc/15/69/01/491156901.db2.gz RXRNRQJSMKAOQG-QWRGUYRKSA-N 0 1 231.330 3.733 20 0 BHADMN CC1(C)CCC[C@H](N[C@@H]2CCCC2(F)F)C1 ZINC000309804943 491059063 /nfs/dbraw/zinc/05/90/63/491059063.db2.gz RXRNRQJSMKAOQG-WDEREUQCSA-N 0 1 231.330 3.733 20 0 BHADMN CC1=CCC[C@@H](C)[C@@H]1CNC(C)(C)C(F)F ZINC000309822482 491157370 /nfs/dbraw/zinc/15/73/70/491157370.db2.gz WRCUKNXRJHAKAC-GHMZBOCLSA-N 0 1 231.330 3.612 20 0 BHADMN CC1=CCC[C@@H](C)[C@H]1CNC(C)(C)C(F)F ZINC000309822484 491157289 /nfs/dbraw/zinc/15/72/89/491157289.db2.gz WRCUKNXRJHAKAC-MNOVXSKESA-N 0 1 231.330 3.612 20 0 BHADMN CC1=CCC[C@H](C)[C@H]1CNC(C)(C)C(F)F ZINC000309822486 491157365 /nfs/dbraw/zinc/15/73/65/491157365.db2.gz WRCUKNXRJHAKAC-QWRGUYRKSA-N 0 1 231.330 3.612 20 0 BHADMN CC1=CCC[C@H](C)[C@@H]1CNC(C)(C)C(F)F ZINC000309822488 491157348 /nfs/dbraw/zinc/15/73/48/491157348.db2.gz WRCUKNXRJHAKAC-WDEREUQCSA-N 0 1 231.330 3.612 20 0 BHADMN C[C@H]1CC(N[C@@H]2CCCC2(F)F)C[C@H](C)C1 ZINC000309833033 491156881 /nfs/dbraw/zinc/15/68/81/491156881.db2.gz ZDMDNPVPHIADDX-CKYFFXLPSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@H]1CC(N[C@H]2CCCC2(F)F)C[C@H](C)C1 ZINC000309833034 491156873 /nfs/dbraw/zinc/15/68/73/491156873.db2.gz ZDMDNPVPHIADDX-FOGDFJRCSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@H]1C[C@H](N[C@@H]2CCCC2(F)F)C[C@@H](C)C1 ZINC000309833035 491156862 /nfs/dbraw/zinc/15/68/62/491156862.db2.gz ZDMDNPVPHIADDX-NOOOWODRSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@H]1C[C@H](N[C@H]2CCCC2(F)F)C[C@@H](C)C1 ZINC000309833036 491059173 /nfs/dbraw/zinc/05/91/73/491059173.db2.gz ZDMDNPVPHIADDX-QCNOEVLYSA-N 0 1 231.330 3.589 20 0 BHADMN CC1(C)CCC(N[C@@H]2CCCC2(F)F)CC1 ZINC000309834534 491156909 /nfs/dbraw/zinc/15/69/09/491156909.db2.gz ZTTVUJIJNZTNBQ-LLVKDONJSA-N 0 1 231.330 3.733 20 0 BHADMN CC1(C)CCC(N[C@H]2CCCC2(F)F)CC1 ZINC000309834535 491156893 /nfs/dbraw/zinc/15/68/93/491156893.db2.gz ZTTVUJIJNZTNBQ-NSHDSACASA-N 0 1 231.330 3.733 20 0 BHADMN Cc1cc(CNCc2cscc2C)c(C)o1 ZINC000309848918 633840805 /nfs/dbraw/zinc/84/08/05/633840805.db2.gz ICLKSDJSCONTSN-UHFFFAOYSA-N 0 1 235.352 3.556 20 0 BHADMN CCC1CCC(N[C@@H]2CCCC2(F)F)CC1 ZINC000309861928 491157661 /nfs/dbraw/zinc/15/76/61/491157661.db2.gz MYCVSCDVRNEBBU-HTAVTVPLSA-N 0 1 231.330 3.733 20 0 BHADMN CCC1CCC(N[C@H]2CCCC2(F)F)CC1 ZINC000309861931 491157636 /nfs/dbraw/zinc/15/76/36/491157636.db2.gz MYCVSCDVRNEBBU-MCIGGMRASA-N 0 1 231.330 3.733 20 0 BHADMN CS[C@H](CNc1cc(C)ccn1)C(C)(C)C ZINC000309868758 388467765 /nfs/dbraw/zinc/46/77/65/388467765.db2.gz PQXUPNQGBDZVQA-LLVKDONJSA-N 0 1 238.400 3.580 20 0 BHADMN CS[C@@H](CNc1cc(C)ccn1)C(C)(C)C ZINC000309868759 388467947 /nfs/dbraw/zinc/46/79/47/388467947.db2.gz PQXUPNQGBDZVQA-NSHDSACASA-N 0 1 238.400 3.580 20 0 BHADMN CC[C@@H](F)CN[C@H](C)c1ccccc1SC ZINC000310005481 388472226 /nfs/dbraw/zinc/47/22/26/388472226.db2.gz GNCNMGUSBILNTJ-GHMZBOCLSA-N 0 1 241.375 3.807 20 0 BHADMN CC[C@H](F)CN[C@H](C)c1ccccc1SC ZINC000310005483 388471867 /nfs/dbraw/zinc/47/18/67/388471867.db2.gz GNCNMGUSBILNTJ-MNOVXSKESA-N 0 1 241.375 3.807 20 0 BHADMN CC[C@@H]1CCC[C@@H](CNC(C)(C)C(F)F)C1 ZINC000310018437 491160154 /nfs/dbraw/zinc/16/01/54/491160154.db2.gz LZDKOHWXXXFSQZ-GHMZBOCLSA-N 0 1 233.346 3.836 20 0 BHADMN CC[C@@H]1CCC[C@H](CNC(C)(C)C(F)F)C1 ZINC000310018439 491160142 /nfs/dbraw/zinc/16/01/42/491160142.db2.gz LZDKOHWXXXFSQZ-MNOVXSKESA-N 0 1 233.346 3.836 20 0 BHADMN CC[C@H]1CCC[C@H](CNC(C)(C)C(F)F)C1 ZINC000310018440 491160161 /nfs/dbraw/zinc/16/01/61/491160161.db2.gz LZDKOHWXXXFSQZ-QWRGUYRKSA-N 0 1 233.346 3.836 20 0 BHADMN CC[C@H]1CCC[C@@H](CNC(C)(C)C(F)F)C1 ZINC000310018441 491160208 /nfs/dbraw/zinc/16/02/08/491160208.db2.gz LZDKOHWXXXFSQZ-WDEREUQCSA-N 0 1 233.346 3.836 20 0 BHADMN CC/C=C\CCNC1(C(F)F)CCCCC1 ZINC000310026557 388474174 /nfs/dbraw/zinc/47/41/74/388474174.db2.gz PPGCKHCYMABVOV-ARJAWSKDSA-N 0 1 231.330 3.900 20 0 BHADMN CC/C=C/CCNC1(C(F)F)CCCCC1 ZINC000310026558 388473562 /nfs/dbraw/zinc/47/35/62/388473562.db2.gz PPGCKHCYMABVOV-ONEGZZNKSA-N 0 1 231.330 3.900 20 0 BHADMN CC[C@@H](NC/C=C\Cl)c1cc(F)ccc1F ZINC000310034766 634065135 /nfs/dbraw/zinc/06/51/35/634065135.db2.gz SNYAYBZBLOMEOF-GCLPIYDQSA-N 0 1 245.700 3.758 20 0 BHADMN CC[C@H](NC/C=C\Cl)c1cc(F)ccc1F ZINC000310034767 632696904 /nfs/dbraw/zinc/69/69/04/632696904.db2.gz SNYAYBZBLOMEOF-RYBZSIHZSA-N 0 1 245.700 3.758 20 0 BHADMN CC[C@@H](F)CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000310042487 388474601 /nfs/dbraw/zinc/47/46/01/388474601.db2.gz ZLBWQTYTXPYCNN-PSASIEDQSA-N 0 1 247.716 3.878 20 0 BHADMN CC[C@H](F)CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000310042488 388474778 /nfs/dbraw/zinc/47/47/78/388474778.db2.gz ZLBWQTYTXPYCNN-SCZZXKLOSA-N 0 1 247.716 3.878 20 0 BHADMN CC[C@@H](F)CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000310042489 388474587 /nfs/dbraw/zinc/47/45/87/388474587.db2.gz ZLBWQTYTXPYCNN-WCBMZHEXSA-N 0 1 247.716 3.878 20 0 BHADMN CC[C@H](F)CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000310042490 388474895 /nfs/dbraw/zinc/47/48/95/388474895.db2.gz ZLBWQTYTXPYCNN-WPRPVWTQSA-N 0 1 247.716 3.878 20 0 BHADMN CCc1nc([C@@H](C)NC2CC(CC)C2)cs1 ZINC000310042837 172003061 /nfs/dbraw/zinc/00/30/61/172003061.db2.gz ZTUTUYWDPPGLIC-KPPDAEKUSA-N 0 1 238.400 3.545 20 0 BHADMN CCc1nc([C@H](C)NC2CC(CC)C2)cs1 ZINC000310042838 172006323 /nfs/dbraw/zinc/00/63/23/172006323.db2.gz ZTUTUYWDPPGLIC-WHXUTIOJSA-N 0 1 238.400 3.545 20 0 BHADMN CC[C@H](NCc1ccco1)c1cccc(C)c1 ZINC000310205268 384901886 /nfs/dbraw/zinc/90/18/86/384901886.db2.gz INJPGZSVFYFXBO-HNNXBMFYSA-N 0 1 229.323 3.829 20 0 BHADMN CC[C@@H](NCc1ccco1)c1cccc(C)c1 ZINC000310205270 347247562 /nfs/dbraw/zinc/24/75/62/347247562.db2.gz INJPGZSVFYFXBO-OAHLLOKOSA-N 0 1 229.323 3.829 20 0 BHADMN Cc1ccoc1CNCc1ccc(C)c(Cl)c1 ZINC000310317180 384767291 /nfs/dbraw/zinc/76/72/91/384767291.db2.gz GAPAKTGRYQIWML-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN Cc1ccccc1CNc1ccnc(C)c1Cl ZINC000310344811 179285365 /nfs/dbraw/zinc/28/53/65/179285365.db2.gz FSIBNZGQIDMPPR-UHFFFAOYSA-N 0 1 246.741 3.964 20 0 BHADMN Cc1cccc(CNc2ccnc(C)c2Cl)c1 ZINC000310420311 179102686 /nfs/dbraw/zinc/10/26/86/179102686.db2.gz QLMVRGZJFJCPMU-UHFFFAOYSA-N 0 1 246.741 3.964 20 0 BHADMN Cc1nccc(N[C@H](C)c2ccccn2)c1Cl ZINC000310427740 180205898 /nfs/dbraw/zinc/20/58/98/180205898.db2.gz RYQSBUQZXFXQRW-SECBINFHSA-N 0 1 247.729 3.612 20 0 BHADMN Cc1nccc(N[C@@H](C)c2ccccn2)c1Cl ZINC000310427741 180203886 /nfs/dbraw/zinc/20/38/86/180203886.db2.gz RYQSBUQZXFXQRW-VIFPVBQESA-N 0 1 247.729 3.612 20 0 BHADMN Cc1ccc(CNc2ccnc(C)c2Cl)cc1 ZINC000310431800 385054415 /nfs/dbraw/zinc/05/44/15/385054415.db2.gz SVNWFEREXQQCEM-UHFFFAOYSA-N 0 1 246.741 3.964 20 0 BHADMN C[C@@H](NCCF)c1ccc(-c2ccccc2)cc1 ZINC000310695103 388487724 /nfs/dbraw/zinc/48/77/24/388487724.db2.gz ZIFMAXXMMHNHCM-CYBMUJFWSA-N 0 1 243.325 3.974 20 0 BHADMN C[C@H](NCCF)c1ccc(-c2ccccc2)cc1 ZINC000310695104 388487626 /nfs/dbraw/zinc/48/76/26/388487626.db2.gz ZIFMAXXMMHNHCM-ZDUSSCGKSA-N 0 1 243.325 3.974 20 0 BHADMN CCc1ccc(CNC(C)(C)c2ccccc2)o1 ZINC000310709470 384955778 /nfs/dbraw/zinc/95/57/78/384955778.db2.gz JWARRAOOXAJUOP-UHFFFAOYSA-N 0 1 243.350 3.867 20 0 BHADMN Cc1ccoc1CNCc1cc(C)c(C)cc1C ZINC000310734141 388488127 /nfs/dbraw/zinc/48/81/27/388488127.db2.gz FUMHFRXVAHUEAY-UHFFFAOYSA-N 0 1 243.350 3.803 20 0 BHADMN Cc1ccoc1CNCc1c(C)cc(C)cc1C ZINC000310743441 388487498 /nfs/dbraw/zinc/48/74/98/388487498.db2.gz IENHQVMTBYNTOI-UHFFFAOYSA-N 0 1 243.350 3.803 20 0 BHADMN CCC(CC)n1ccc(CN2CCCCCC2)n1 ZINC000310804132 259329005 /nfs/dbraw/zinc/32/90/05/259329005.db2.gz UJOQVYAHIWWAPP-UHFFFAOYSA-N 0 1 249.402 3.620 20 0 BHADMN CCCCc1oc2ccccc2c1CNCCF ZINC000310805801 388488659 /nfs/dbraw/zinc/48/86/59/388488659.db2.gz ZNOIDYAZTMSPKZ-UHFFFAOYSA-N 0 1 249.329 3.835 20 0 BHADMN Cc1ccoc1CNCc1cccc(C2CC2)c1 ZINC000310808551 385180772 /nfs/dbraw/zinc/18/07/72/385180772.db2.gz ZBGKPDJAKFMJRR-UHFFFAOYSA-N 0 1 241.334 3.755 20 0 BHADMN Cc1ccc2nc(-c3cccc(O)c3)[nH]c2c1C ZINC000310853457 388763196 /nfs/dbraw/zinc/76/31/96/388763196.db2.gz DHHKTKKNMRPSMC-UHFFFAOYSA-N 0 1 238.290 3.552 20 0 BHADMN Cc1ccoc1CN[C@H]1C[C@@H](C)c2ccccc21 ZINC000311054607 385297107 /nfs/dbraw/zinc/29/71/07/385297107.db2.gz XWFFXXFNYJSLQS-DOMZBBRYSA-N 0 1 241.334 3.926 20 0 BHADMN Cc1ccoc1CN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000311054608 385297505 /nfs/dbraw/zinc/29/75/05/385297505.db2.gz XWFFXXFNYJSLQS-IUODEOHRSA-N 0 1 241.334 3.926 20 0 BHADMN Cc1ccoc1CN[C@@H]1C[C@H](C)c2ccccc21 ZINC000311054609 385296857 /nfs/dbraw/zinc/29/68/57/385296857.db2.gz XWFFXXFNYJSLQS-SWLSCSKDSA-N 0 1 241.334 3.926 20 0 BHADMN Cc1ccoc1CN[C@H]1C[C@H](C)c2ccccc21 ZINC000311054610 385297716 /nfs/dbraw/zinc/29/77/16/385297716.db2.gz XWFFXXFNYJSLQS-WFASDCNBSA-N 0 1 241.334 3.926 20 0 BHADMN Cc1ccoc1CNCc1ccc(C2CC2)cc1 ZINC000311070700 385301953 /nfs/dbraw/zinc/30/19/53/385301953.db2.gz CYKZNWAZLAYLSZ-UHFFFAOYSA-N 0 1 241.334 3.755 20 0 BHADMN Cc1ccoc1CNCc1ccccc1C1CC1 ZINC000311120546 411316230 /nfs/dbraw/zinc/31/62/30/411316230.db2.gz OOOPUGRZYUZNKI-UHFFFAOYSA-N 0 1 241.334 3.755 20 0 BHADMN CC[C@H](NCc1oc(C)nc1C)c1ccccc1 ZINC000311685210 487619161 /nfs/dbraw/zinc/61/91/61/487619161.db2.gz NEHDVOGQOAHRPE-AWEZNQCLSA-N 0 1 244.338 3.532 20 0 BHADMN CC[C@@H](NCc1oc(C)nc1C)c1ccccc1 ZINC000311685214 487619487 /nfs/dbraw/zinc/61/94/87/487619487.db2.gz NEHDVOGQOAHRPE-CQSZACIVSA-N 0 1 244.338 3.532 20 0 BHADMN C/C=C\CNCc1cc(Cl)sc1Cl ZINC000312555595 354979207 /nfs/dbraw/zinc/97/92/07/354979207.db2.gz HKKACLUCQLYCGR-IHWYPQMZSA-N 0 1 236.167 3.721 20 0 BHADMN C/C=C/CNCc1cc(Cl)sc1Cl ZINC000312555597 346294088 /nfs/dbraw/zinc/29/40/88/346294088.db2.gz HKKACLUCQLYCGR-NSCUHMNNSA-N 0 1 236.167 3.721 20 0 BHADMN Cc1cnc(CN[C@@H]2CCCC23CCCCC3)o1 ZINC000313049602 487600089 /nfs/dbraw/zinc/60/00/89/487600089.db2.gz RJISURISADLRLY-CYBMUJFWSA-N 0 1 248.370 3.576 20 0 BHADMN Cc1cnc(CN[C@H]2CCCC23CCCCC3)o1 ZINC000313049610 487600252 /nfs/dbraw/zinc/60/02/52/487600252.db2.gz RJISURISADLRLY-ZDUSSCGKSA-N 0 1 248.370 3.576 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccsc2)nc1C ZINC000314096949 384800978 /nfs/dbraw/zinc/80/09/78/384800978.db2.gz DKBKOWWJNLKQSF-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccsc2)nc1C ZINC000314096952 384800893 /nfs/dbraw/zinc/80/08/93/384800893.db2.gz DKBKOWWJNLKQSF-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc(CN[C@H](C)c2cccs2)nc1C ZINC000314125467 384811927 /nfs/dbraw/zinc/81/19/27/384811927.db2.gz HSQODUZEPUENHQ-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2cccs2)nc1C ZINC000314125470 384809209 /nfs/dbraw/zinc/80/92/09/384809209.db2.gz HSQODUZEPUENHQ-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccccc2)nc1C ZINC000314879081 387299180 /nfs/dbraw/zinc/29/91/80/387299180.db2.gz YWIHCMJNXNXXSL-AWEZNQCLSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccccc2)nc1C ZINC000314879082 387298896 /nfs/dbraw/zinc/29/88/96/387298896.db2.gz YWIHCMJNXNXXSL-CQSZACIVSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1cc([C@H](C)NCc2ccoc2C)c(C)o1 ZINC000320869381 386951372 /nfs/dbraw/zinc/95/13/72/386951372.db2.gz FTOQQHPFSAZVED-JTQLQIEISA-N 0 1 233.311 3.649 20 0 BHADMN Cc1cc([C@@H](C)NCc2ccoc2C)c(C)o1 ZINC000320869402 386951546 /nfs/dbraw/zinc/95/15/46/386951546.db2.gz FTOQQHPFSAZVED-SNVBAGLBSA-N 0 1 233.311 3.649 20 0 BHADMN Cc1occc1CN[C@@H]1CCCc2sccc21 ZINC000321569805 387278135 /nfs/dbraw/zinc/27/81/35/387278135.db2.gz NMTLUSUPYMPBNB-CYBMUJFWSA-N 0 1 247.363 3.817 20 0 BHADMN Cc1occc1CN[C@H]1CCCc2sccc21 ZINC000321569806 387277498 /nfs/dbraw/zinc/27/74/98/387277498.db2.gz NMTLUSUPYMPBNB-ZDUSSCGKSA-N 0 1 247.363 3.817 20 0 BHADMN Cc1occc1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000321575915 387278933 /nfs/dbraw/zinc/27/89/33/387278933.db2.gz NZSLNWLKRPDBTR-LLVKDONJSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1occc1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000321575918 387278852 /nfs/dbraw/zinc/27/88/52/387278852.db2.gz NZSLNWLKRPDBTR-NSHDSACASA-N 0 1 247.313 3.886 20 0 BHADMN Cc1occc1CN[C@H](C)c1cccs1 ZINC000321597758 357627141 /nfs/dbraw/zinc/62/71/41/357627141.db2.gz XNVSONOHDKSQPO-SECBINFHSA-N 0 1 221.325 3.500 20 0 BHADMN Cc1occc1CN[C@@H](C)c1cccs1 ZINC000321597760 387280974 /nfs/dbraw/zinc/28/09/74/387280974.db2.gz XNVSONOHDKSQPO-VIFPVBQESA-N 0 1 221.325 3.500 20 0 BHADMN Cc1occc1CN[C@@H](C)c1ccc(F)cc1 ZINC000321607762 541387863 /nfs/dbraw/zinc/38/78/63/541387863.db2.gz QRXOODFTZDFMEM-JTQLQIEISA-N 0 1 233.286 3.578 20 0 BHADMN Cc1occc1CN[C@H](C)c1ccc(F)cc1 ZINC000321607763 541388086 /nfs/dbraw/zinc/38/80/86/541388086.db2.gz QRXOODFTZDFMEM-SNVBAGLBSA-N 0 1 233.286 3.578 20 0 BHADMN Cc1occc1CN[C@H](C)c1cccc(F)c1 ZINC000321656475 537859064 /nfs/dbraw/zinc/85/90/64/537859064.db2.gz WGFWMNXCXWMBGJ-SNVBAGLBSA-N 0 1 233.286 3.578 20 0 BHADMN Cc1ccnc(CN[C@H](C)c2ccccc2C)c1 ZINC000327981551 388398089 /nfs/dbraw/zinc/39/80/89/388398089.db2.gz IVOBZTIWICFFQR-CQSZACIVSA-N 0 1 240.350 3.549 20 0 BHADMN CCCC(C)(C)[NH2+]Cc1cccc([O-])c1Cl ZINC000328078306 387865563 /nfs/dbraw/zinc/86/55/63/387865563.db2.gz BBEGPEMTZXOWPR-UHFFFAOYSA-N 0 1 241.762 3.714 20 0 BHADMN CCC[C@@H](CC)[NH2+]Cc1cccc([O-])c1Cl ZINC000328188038 324223691 /nfs/dbraw/zinc/22/36/91/324223691.db2.gz CEXDJTNQHGPCCF-LLVKDONJSA-N 0 1 241.762 3.714 20 0 BHADMN CCC[C@H](CC)[NH2+]Cc1cccc([O-])c1Cl ZINC000328188039 324224115 /nfs/dbraw/zinc/22/41/15/324224115.db2.gz CEXDJTNQHGPCCF-NSHDSACASA-N 0 1 241.762 3.714 20 0 BHADMN Cc1ccc([C@H](C)NCc2cc(C)ccn2)cc1 ZINC000328196410 537828528 /nfs/dbraw/zinc/82/85/28/537828528.db2.gz RPCCNZNEURBXMU-AWEZNQCLSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1ccc([C@@H](C)NCc2cc(C)ccn2)cc1 ZINC000328196411 537828745 /nfs/dbraw/zinc/82/87/45/537828745.db2.gz RPCCNZNEURBXMU-CQSZACIVSA-N 0 1 240.350 3.549 20 0 BHADMN C[C@@H]([NH2+]Cc1cccc([O-])c1Cl)C(C)(C)C ZINC000328214763 487630042 /nfs/dbraw/zinc/63/00/42/487630042.db2.gz JPPWLOSQGSKKLE-SECBINFHSA-N 0 1 241.762 3.570 20 0 BHADMN Cc1ccnc(NCCC(C)(C)C2CC2)c1 ZINC000328240157 324281175 /nfs/dbraw/zinc/28/11/75/324281175.db2.gz BBQPCDNJPTVYHO-UHFFFAOYSA-N 0 1 218.344 3.628 20 0 BHADMN CCC(C)(CC)[NH2+]Cc1cccc([O-])c1Cl ZINC000328260401 324339306 /nfs/dbraw/zinc/33/93/06/324339306.db2.gz MXJOGJFMHVOXII-UHFFFAOYSA-N 0 1 241.762 3.714 20 0 BHADMN CCC(C)(C)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000328268949 324367559 /nfs/dbraw/zinc/36/75/59/324367559.db2.gz WPNUOIUWOMCAKI-UHFFFAOYSA-N 0 1 241.762 3.666 20 0 BHADMN CCC(C)(C)[N@H+](C)Cc1cccc([O-])c1Cl ZINC000328268949 324367554 /nfs/dbraw/zinc/36/75/54/324367554.db2.gz WPNUOIUWOMCAKI-UHFFFAOYSA-N 0 1 241.762 3.666 20 0 BHADMN CC(C)CCC[NH2+]Cc1cccc([O-])c1Cl ZINC000328278212 324389565 /nfs/dbraw/zinc/38/95/65/324389565.db2.gz YISCLMZOPNRXGB-UHFFFAOYSA-N 0 1 241.762 3.571 20 0 BHADMN CCC[NH+](CCC)Cc1cccc([O-])c1Cl ZINC000328340187 388615197 /nfs/dbraw/zinc/61/51/97/388615197.db2.gz LYNSTRLURFEUMD-UHFFFAOYSA-N 0 1 241.762 3.668 20 0 BHADMN CC[N@H+](Cc1cccc([O-])c1Cl)CC(C)C ZINC000328340707 388616051 /nfs/dbraw/zinc/61/60/51/388616051.db2.gz MEEUILSOYYPRNA-UHFFFAOYSA-N 0 1 241.762 3.524 20 0 BHADMN CC[N@H+](Cc1cccc(O)c1Cl)CC(C)C ZINC000328340707 388616048 /nfs/dbraw/zinc/61/60/48/388616048.db2.gz MEEUILSOYYPRNA-UHFFFAOYSA-N 0 1 241.762 3.524 20 0 BHADMN CCCCCC[NH2+]Cc1cccc([O-])c1Cl ZINC000328379049 633760292 /nfs/dbraw/zinc/76/02/92/633760292.db2.gz RJZJSMFNRGHHFO-UHFFFAOYSA-N 0 1 241.762 3.716 20 0 BHADMN CCC[C@H](C)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000328411308 388642362 /nfs/dbraw/zinc/64/23/62/388642362.db2.gz XMGKJUBXQIVSAT-JTQLQIEISA-N 0 1 241.762 3.666 20 0 BHADMN CCC[C@H](C)[N@@H+](C)Cc1cccc(O)c1Cl ZINC000328411308 388642357 /nfs/dbraw/zinc/64/23/57/388642357.db2.gz XMGKJUBXQIVSAT-JTQLQIEISA-N 0 1 241.762 3.666 20 0 BHADMN CCC[C@@H](C)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000328411309 388642894 /nfs/dbraw/zinc/64/28/94/388642894.db2.gz XMGKJUBXQIVSAT-SNVBAGLBSA-N 0 1 241.762 3.666 20 0 BHADMN CCC[C@@H](C)[N@@H+](C)Cc1cccc(O)c1Cl ZINC000328411309 388642890 /nfs/dbraw/zinc/64/28/90/388642890.db2.gz XMGKJUBXQIVSAT-SNVBAGLBSA-N 0 1 241.762 3.666 20 0 BHADMN Cc1cc(CN[C@@H]2CCCc3occc32)cs1 ZINC000328448080 178034143 /nfs/dbraw/zinc/03/41/43/178034143.db2.gz OPMWZKJJNBRUSG-CYBMUJFWSA-N 0 1 247.363 3.817 20 0 BHADMN Cc1cc(CN[C@H]2CCCc3occc32)cs1 ZINC000328448081 178039959 /nfs/dbraw/zinc/03/99/59/178039959.db2.gz OPMWZKJJNBRUSG-ZDUSSCGKSA-N 0 1 247.363 3.817 20 0 BHADMN CC(C)CCN(C)Cc1cccc(O)c1Cl ZINC000328468197 388415562 /nfs/dbraw/zinc/41/55/62/388415562.db2.gz MGARYTKWJYNRFL-UHFFFAOYSA-N 0 1 241.762 3.524 20 0 BHADMN CC(C)CC[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000328468197 388415559 /nfs/dbraw/zinc/41/55/59/388415559.db2.gz MGARYTKWJYNRFL-UHFFFAOYSA-N 0 1 241.762 3.524 20 0 BHADMN CC(C)CC[N@H+](C)Cc1cccc([O-])c1Cl ZINC000328468197 388415557 /nfs/dbraw/zinc/41/55/57/388415557.db2.gz MGARYTKWJYNRFL-UHFFFAOYSA-N 0 1 241.762 3.524 20 0 BHADMN CN(Cc1cccc(O)c1Cl)CC(C)(C)C ZINC000328476057 388643643 /nfs/dbraw/zinc/64/36/43/388643643.db2.gz ONSGIUFUBPPMRW-UHFFFAOYSA-N 0 1 241.762 3.524 20 0 BHADMN C[N@@H+](Cc1cccc([O-])c1Cl)CC(C)(C)C ZINC000328476057 388643639 /nfs/dbraw/zinc/64/36/39/388643639.db2.gz ONSGIUFUBPPMRW-UHFFFAOYSA-N 0 1 241.762 3.524 20 0 BHADMN C[N@H+](Cc1cccc([O-])c1Cl)CC(C)(C)C ZINC000328476057 388643637 /nfs/dbraw/zinc/64/36/37/388643637.db2.gz ONSGIUFUBPPMRW-UHFFFAOYSA-N 0 1 241.762 3.524 20 0 BHADMN CCC(CC)C[NH2+]Cc1cccc([O-])c1Cl ZINC000328485072 388416496 /nfs/dbraw/zinc/41/64/96/388416496.db2.gz QURBLSUDMARCTP-UHFFFAOYSA-N 0 1 241.762 3.571 20 0 BHADMN CC(C)(C)CC[NH2+]Cc1cccc([O-])c1Cl ZINC000328489679 323204162 /nfs/dbraw/zinc/20/41/62/323204162.db2.gz RYHCXNIOOCBUSK-UHFFFAOYSA-N 0 1 241.762 3.571 20 0 BHADMN Cc1cccc(NCCC(C)(C)C2CC2)n1 ZINC000328560628 179144257 /nfs/dbraw/zinc/14/42/57/179144257.db2.gz FURKDJJTYHGRLZ-UHFFFAOYSA-N 0 1 218.344 3.628 20 0 BHADMN CC[C@]1(C)CCCN([C@@H](C)c2ncc(C)o2)C1 ZINC000334220185 352821870 /nfs/dbraw/zinc/82/18/70/352821870.db2.gz GPPRQQWGDDYOMY-GXTWGEPZSA-N 0 1 236.359 3.556 20 0 BHADMN CC[C@@]1(C)CCCN([C@@H](C)c2ncc(C)o2)C1 ZINC000334220186 352821985 /nfs/dbraw/zinc/82/19/85/352821985.db2.gz GPPRQQWGDDYOMY-JSGCOSHPSA-N 0 1 236.359 3.556 20 0 BHADMN CC[C@@]1(C)CCCN([C@H](C)c2ncc(C)o2)C1 ZINC000334220187 352821929 /nfs/dbraw/zinc/82/19/29/352821929.db2.gz GPPRQQWGDDYOMY-OCCSQVGLSA-N 0 1 236.359 3.556 20 0 BHADMN CC[C@]1(C)CCCN([C@H](C)c2ncc(C)o2)C1 ZINC000334220189 352822081 /nfs/dbraw/zinc/82/20/81/352822081.db2.gz GPPRQQWGDDYOMY-TZMCWYRMSA-N 0 1 236.359 3.556 20 0 BHADMN Cc1cnc([C@H](C)N2CC[C@H](C)C3(CCC3)C2)o1 ZINC000334442784 386062683 /nfs/dbraw/zinc/06/26/83/386062683.db2.gz CQGVJJLBVUSMMY-AAEUAGOBSA-N 0 1 248.370 3.556 20 0 BHADMN Cc1cnc([C@@H](C)N2CC[C@@H](C)C3(CCC3)C2)o1 ZINC000334442786 386062695 /nfs/dbraw/zinc/06/26/95/386062695.db2.gz CQGVJJLBVUSMMY-DGCLKSJQSA-N 0 1 248.370 3.556 20 0 BHADMN Cc1cnc([C@@H](C)N2CC[C@H](C)C3(CCC3)C2)o1 ZINC000334442789 386063675 /nfs/dbraw/zinc/06/36/75/386063675.db2.gz CQGVJJLBVUSMMY-WCQYABFASA-N 0 1 248.370 3.556 20 0 BHADMN Cc1cnc([C@H](C)N2CC[C@@H](C)C3(CCC3)C2)o1 ZINC000334442792 386062965 /nfs/dbraw/zinc/06/29/65/386062965.db2.gz CQGVJJLBVUSMMY-YPMHNXCESA-N 0 1 248.370 3.556 20 0 BHADMN c1nc(C2CCC2)sc1CN1CCC12CCC2 ZINC000334483234 386324135 /nfs/dbraw/zinc/32/41/35/386324135.db2.gz XYFYCVRZYIYHBR-UHFFFAOYSA-N 0 1 248.395 3.539 20 0 BHADMN C[C@@H](c1ccccn1)N1CC[C@H]1c1ccccc1 ZINC000334552165 353993390 /nfs/dbraw/zinc/99/33/90/353993390.db2.gz SKFFYKUSBKRHKR-BBRMVZONSA-N 0 1 238.334 3.590 20 0 BHADMN C[C@H](c1ccccn1)N1CC[C@H]1c1ccccc1 ZINC000334552166 353993427 /nfs/dbraw/zinc/99/34/27/353993427.db2.gz SKFFYKUSBKRHKR-CJNGLKHVSA-N 0 1 238.334 3.590 20 0 BHADMN C[C@H](c1ccccn1)N1CC[C@@H]1c1ccccc1 ZINC000334552167 353993624 /nfs/dbraw/zinc/99/36/24/353993624.db2.gz SKFFYKUSBKRHKR-CZUORRHYSA-N 0 1 238.334 3.590 20 0 BHADMN C[C@@H](c1ccccn1)N1CC[C@@H]1c1ccccc1 ZINC000334552168 353993122 /nfs/dbraw/zinc/99/31/22/353993122.db2.gz SKFFYKUSBKRHKR-XJKSGUPXSA-N 0 1 238.334 3.590 20 0 BHADMN C[C@@H](N)c1nc(C2CCCCCC2)cs1 ZINC000334602075 354280995 /nfs/dbraw/zinc/28/09/95/354280995.db2.gz JLDBMUMSOLWZKN-SECBINFHSA-N 0 1 224.373 3.601 20 0 BHADMN C[C@H](N)c1nc(C2CCCCCC2)cs1 ZINC000334602076 354281277 /nfs/dbraw/zinc/28/12/77/354281277.db2.gz JLDBMUMSOLWZKN-VIFPVBQESA-N 0 1 224.373 3.601 20 0 BHADMN Cc1occc1CN[C@H]1CCc2cc(F)ccc21 ZINC000334859743 386913737 /nfs/dbraw/zinc/91/37/37/386913737.db2.gz SBPOIPFPPDTNKT-HNNXBMFYSA-N 0 1 245.297 3.504 20 0 BHADMN Cc1occc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000334859744 386913265 /nfs/dbraw/zinc/91/32/65/386913265.db2.gz SBPOIPFPPDTNKT-OAHLLOKOSA-N 0 1 245.297 3.504 20 0 BHADMN c1sc(CN2CCCC23CCC3)nc1C1CC1 ZINC000335243919 355181165 /nfs/dbraw/zinc/18/11/65/355181165.db2.gz XQFJVSACXRABST-UHFFFAOYSA-N 0 1 248.395 3.539 20 0 BHADMN c1sc(C2CC2)nc1CN1CCCC12CCC2 ZINC000335335271 136055472 /nfs/dbraw/zinc/05/54/72/136055472.db2.gz AHBNQHLLNKUNFY-UHFFFAOYSA-N 0 1 248.395 3.539 20 0 BHADMN CS[C@H]1CC[C@@H]1Nc1ccc2cnccc2c1 ZINC000335547068 136096811 /nfs/dbraw/zinc/09/68/11/136096811.db2.gz ZGQSWIKQYUBNGJ-KBPBESRZSA-N 0 1 244.363 3.541 20 0 BHADMN CS[C@H]1CC[C@H]1Nc1ccc2cnccc2c1 ZINC000335547071 136096877 /nfs/dbraw/zinc/09/68/77/136096877.db2.gz ZGQSWIKQYUBNGJ-KGLIPLIRSA-N 0 1 244.363 3.541 20 0 BHADMN CS[C@@H]1CC[C@@H]1Nc1ccc2cnccc2c1 ZINC000335547073 136096899 /nfs/dbraw/zinc/09/68/99/136096899.db2.gz ZGQSWIKQYUBNGJ-UONOGXRCSA-N 0 1 244.363 3.541 20 0 BHADMN CS[C@@H]1CC[C@H]1Nc1ccc2cnccc2c1 ZINC000335547075 136097002 /nfs/dbraw/zinc/09/70/02/136097002.db2.gz ZGQSWIKQYUBNGJ-ZIAGYGMSSA-N 0 1 244.363 3.541 20 0 BHADMN Cc1cnc([C@@H](C)N2CCC(C)(C3CC3)CC2)o1 ZINC000335673573 136317256 /nfs/dbraw/zinc/31/72/56/136317256.db2.gz WAJXQAONWCTYHA-GFCCVEGCSA-N 0 1 248.370 3.556 20 0 BHADMN Cc1cnc([C@H](C)N2CCC(C)(C3CC3)CC2)o1 ZINC000335673574 136317529 /nfs/dbraw/zinc/31/75/29/136317529.db2.gz WAJXQAONWCTYHA-LBPRGKRZSA-N 0 1 248.370 3.556 20 0 BHADMN Cc1cnc([C@@H](C)N2CCC3(CCCC3)CC2)o1 ZINC000335946422 134020413 /nfs/dbraw/zinc/02/04/13/134020413.db2.gz NDXUZSNWFVZBDY-CYBMUJFWSA-N 0 1 248.370 3.700 20 0 BHADMN Cc1cnc([C@H](C)N2CCC3(CCCC3)CC2)o1 ZINC000335946423 134020323 /nfs/dbraw/zinc/02/03/23/134020323.db2.gz NDXUZSNWFVZBDY-ZDUSSCGKSA-N 0 1 248.370 3.700 20 0 BHADMN C[C@@H](c1cccnc1)N1CC[C@H]1c1ccccc1 ZINC000336086776 134076866 /nfs/dbraw/zinc/07/68/66/134076866.db2.gz ZEQXPSJSDWZEQY-BBRMVZONSA-N 0 1 238.334 3.590 20 0 BHADMN C[C@H](c1cccnc1)N1CC[C@H]1c1ccccc1 ZINC000336086777 134077162 /nfs/dbraw/zinc/07/71/62/134077162.db2.gz ZEQXPSJSDWZEQY-CJNGLKHVSA-N 0 1 238.334 3.590 20 0 BHADMN C[C@H](c1cccnc1)N1CC[C@@H]1c1ccccc1 ZINC000336086778 134077180 /nfs/dbraw/zinc/07/71/80/134077180.db2.gz ZEQXPSJSDWZEQY-CZUORRHYSA-N 0 1 238.334 3.590 20 0 BHADMN C[C@@H](c1cccnc1)N1CC[C@@H]1c1ccccc1 ZINC000336086779 134077109 /nfs/dbraw/zinc/07/71/09/134077109.db2.gz ZEQXPSJSDWZEQY-XJKSGUPXSA-N 0 1 238.334 3.590 20 0 BHADMN Cc1cnc([C@@H](C)N2CCCC3(CCCC3)C2)o1 ZINC000336181362 134119845 /nfs/dbraw/zinc/11/98/45/134119845.db2.gz YMMGXYGHSCNHGF-CYBMUJFWSA-N 0 1 248.370 3.700 20 0 BHADMN Cc1cnc([C@H](C)N2CCCC3(CCCC3)C2)o1 ZINC000336181363 134120040 /nfs/dbraw/zinc/12/00/40/134120040.db2.gz YMMGXYGHSCNHGF-ZDUSSCGKSA-N 0 1 248.370 3.700 20 0 BHADMN Fc1cccc2c1CCC[C@@H]2NCc1ccco1 ZINC000336213462 134135555 /nfs/dbraw/zinc/13/55/55/134135555.db2.gz ZNDRFFHQXWSIOO-HNNXBMFYSA-N 0 1 245.297 3.586 20 0 BHADMN Fc1cccc2c1CCC[C@H]2NCc1ccco1 ZINC000336213463 134135449 /nfs/dbraw/zinc/13/54/49/134135449.db2.gz ZNDRFFHQXWSIOO-OAHLLOKOSA-N 0 1 245.297 3.586 20 0 BHADMN CCC1(C)CCN([C@H](C)c2ncc(C)o2)CC1 ZINC000336325310 387152086 /nfs/dbraw/zinc/15/20/86/387152086.db2.gz TZXVKFROXPNBLH-GFCCVEGCSA-N 0 1 236.359 3.556 20 0 BHADMN CCC1(C)CCN([C@@H](C)c2ncc(C)o2)CC1 ZINC000336325311 387152462 /nfs/dbraw/zinc/15/24/62/387152462.db2.gz TZXVKFROXPNBLH-LBPRGKRZSA-N 0 1 236.359 3.556 20 0 BHADMN Cc1occc1CN[C@H]1CCc2c1cccc2F ZINC000336346522 387175804 /nfs/dbraw/zinc/17/58/04/387175804.db2.gz RHMRGTYDWSSVEQ-HNNXBMFYSA-N 0 1 245.297 3.504 20 0 BHADMN Cc1occc1CN[C@@H]1CCc2c1cccc2F ZINC000336346523 387175679 /nfs/dbraw/zinc/17/56/79/387175679.db2.gz RHMRGTYDWSSVEQ-OAHLLOKOSA-N 0 1 245.297 3.504 20 0 BHADMN CCN(Cc1nc(C)sc1C)CC(C)(C)C ZINC000336648087 169934755 /nfs/dbraw/zinc/93/47/55/169934755.db2.gz GAXAKGCJSSCHST-UHFFFAOYSA-N 0 1 240.416 3.628 20 0 BHADMN CCN(Cc1ccsc1Cl)C(C)C ZINC000336650544 350574750 /nfs/dbraw/zinc/57/47/50/350574750.db2.gz IOAJDVOWLIZLLG-UHFFFAOYSA-N 0 1 217.765 3.632 20 0 BHADMN CCCN(CC)Cc1ccsc1Cl ZINC000336656473 169129589 /nfs/dbraw/zinc/12/95/89/169129589.db2.gz QLHHCDSQXUPBHH-UHFFFAOYSA-N 0 1 217.765 3.633 20 0 BHADMN Cc1occc1CNCc1cccc(Cl)c1 ZINC000336662519 388260518 /nfs/dbraw/zinc/26/05/18/388260518.db2.gz DIFAZBOEPOOQAE-UHFFFAOYSA-N 0 1 235.714 3.531 20 0 BHADMN CCC(C)(C)N(C)Cc1csc(C2CC2)n1 ZINC000336673286 168287720 /nfs/dbraw/zinc/28/77/20/168287720.db2.gz KORXTZUIACJQOP-UHFFFAOYSA-N 0 1 238.400 3.641 20 0 BHADMN CCC[C@H](C)N(C)Cc1csc(C2CC2)n1 ZINC000336677312 386327761 /nfs/dbraw/zinc/32/77/61/386327761.db2.gz NPXFYIZRKJZECT-JTQLQIEISA-N 0 1 238.400 3.641 20 0 BHADMN CCC[C@@H](C)N(C)Cc1csc(C2CC2)n1 ZINC000336677313 169365325 /nfs/dbraw/zinc/36/53/25/169365325.db2.gz NPXFYIZRKJZECT-SNVBAGLBSA-N 0 1 238.400 3.641 20 0 BHADMN Cc1nc(CN(C(C)C)C2CCC2)c(C)s1 ZINC000336693426 386366182 /nfs/dbraw/zinc/36/61/82/386366182.db2.gz CVPUQXRRUKVOEC-UHFFFAOYSA-N 0 1 238.400 3.523 20 0 BHADMN CCCCN(Cc1nc(C)sc1C)C1CC1 ZINC000336694971 386370171 /nfs/dbraw/zinc/37/01/71/386370171.db2.gz FLOAOXKBOYINFI-UHFFFAOYSA-N 0 1 238.400 3.524 20 0 BHADMN CCCCN(Cc1nc(C)c(C)s1)C1CC1 ZINC000336707176 386410284 /nfs/dbraw/zinc/41/02/84/386410284.db2.gz SDYBPGDVFJTYMJ-UHFFFAOYSA-N 0 1 238.400 3.524 20 0 BHADMN CC(C)c1nc([C@@H](C)NC2CC(C)C2)cs1 ZINC000336734363 168148121 /nfs/dbraw/zinc/14/81/21/168148121.db2.gz HHNSLVUNWMMYOJ-HSOILSAZSA-N 0 1 238.400 3.716 20 0 BHADMN CC(C)c1nc([C@H](C)NC2CC(C)C2)cs1 ZINC000336734364 168146237 /nfs/dbraw/zinc/14/62/37/168146237.db2.gz HHNSLVUNWMMYOJ-YVNMAJEFSA-N 0 1 238.400 3.716 20 0 BHADMN Cc1ccoc1CNC(C)(C)c1cccs1 ZINC000336744462 386857603 /nfs/dbraw/zinc/85/76/03/386857603.db2.gz UZMODFBSDRQJSS-UHFFFAOYSA-N 0 1 235.352 3.674 20 0 BHADMN CC(C)c1nc([C@H](C)N[C@@H]2CC2(C)C)cs1 ZINC000336754727 386524946 /nfs/dbraw/zinc/52/49/46/386524946.db2.gz XDJGHNWXRXIZOH-GXSJLCMTSA-N 0 1 238.400 3.716 20 0 BHADMN CC(C)c1nc([C@@H](C)N[C@H]2CC2(C)C)cs1 ZINC000336754728 386525890 /nfs/dbraw/zinc/52/58/90/386525890.db2.gz XDJGHNWXRXIZOH-KOLCDFICSA-N 0 1 238.400 3.716 20 0 BHADMN CC(C)c1nc([C@@H](C)N[C@@H]2CC2(C)C)cs1 ZINC000336754729 386526391 /nfs/dbraw/zinc/52/63/91/386526391.db2.gz XDJGHNWXRXIZOH-MWLCHTKSSA-N 0 1 238.400 3.716 20 0 BHADMN CC(C)c1nc([C@H](C)N[C@H]2CC2(C)C)cs1 ZINC000336754730 386526442 /nfs/dbraw/zinc/52/64/42/386526442.db2.gz XDJGHNWXRXIZOH-ONGXEEELSA-N 0 1 238.400 3.716 20 0 BHADMN Cc1ccoc1CNCc1coc2ccccc12 ZINC000336790517 387785537 /nfs/dbraw/zinc/78/55/37/387785537.db2.gz LNEGNEHFURJPIX-UHFFFAOYSA-N 0 1 241.290 3.624 20 0 BHADMN CC[C@H](NCc1cc(C)ccn1)c1ccccc1 ZINC000336892929 388438699 /nfs/dbraw/zinc/43/86/99/388438699.db2.gz KHGDVHQKSLAQSC-INIZCTEOSA-N 0 1 240.350 3.631 20 0 BHADMN CC[C@@H](NCc1cc(C)ccn1)c1ccccc1 ZINC000336892930 364791672 /nfs/dbraw/zinc/79/16/72/364791672.db2.gz KHGDVHQKSLAQSC-MRXNPFEDSA-N 0 1 240.350 3.631 20 0 BHADMN Cc1ccnc(NC[C@@H]2CCCC(F)(F)C2)c1 ZINC000336923239 386555984 /nfs/dbraw/zinc/55/59/84/386555984.db2.gz IYSZOKGBBHRIET-LLVKDONJSA-N 0 1 240.297 3.627 20 0 BHADMN Cc1ccnc(NC[C@H]2CCCC(F)(F)C2)c1 ZINC000336923240 386556526 /nfs/dbraw/zinc/55/65/26/386556526.db2.gz IYSZOKGBBHRIET-NSHDSACASA-N 0 1 240.297 3.627 20 0 BHADMN Cc1cccc(NC[C@@H]2CCCC(F)(F)C2)n1 ZINC000336958020 179146094 /nfs/dbraw/zinc/14/60/94/179146094.db2.gz YIDZQAFKPNTVKX-LLVKDONJSA-N 0 1 240.297 3.627 20 0 BHADMN Cc1cccc(NC[C@H]2CCCC(F)(F)C2)n1 ZINC000336958021 179148180 /nfs/dbraw/zinc/14/81/80/179148180.db2.gz YIDZQAFKPNTVKX-NSHDSACASA-N 0 1 240.297 3.627 20 0 BHADMN Cc1cccc(NCC2CCC(F)(F)CC2)n1 ZINC000336980586 179143354 /nfs/dbraw/zinc/14/33/54/179143354.db2.gz CPXASAHUEVDAJD-UHFFFAOYSA-N 0 1 240.297 3.627 20 0 BHADMN Cc1ccnc(NCC2CCC(F)(F)CC2)c1 ZINC000336988476 386570984 /nfs/dbraw/zinc/57/09/84/386570984.db2.gz JATZAWNIKLDPJK-UHFFFAOYSA-N 0 1 240.297 3.627 20 0 BHADMN Cc1nc(CN(C)C[C@H](C)CC(C)C)cs1 ZINC000337147937 386631050 /nfs/dbraw/zinc/63/10/50/386631050.db2.gz ZPVUECWPDFOFBG-LLVKDONJSA-N 0 1 240.416 3.566 20 0 BHADMN Cc1nc(CN(C)C[C@@H](C)CC(C)C)cs1 ZINC000337147938 386629352 /nfs/dbraw/zinc/62/93/52/386629352.db2.gz ZPVUECWPDFOFBG-NSHDSACASA-N 0 1 240.416 3.566 20 0 BHADMN C[C@@H](c1ccncc1)[N@@H+](C)CCCC(C)(C)C ZINC000337167746 176034705 /nfs/dbraw/zinc/03/47/05/176034705.db2.gz AZGVGGRKTJDABN-ZDUSSCGKSA-N 0 1 234.387 3.901 20 0 BHADMN CC[C@@H]1CCCCC[N@H+]1Cc1ccnn1C(C)C ZINC000337184079 350562773 /nfs/dbraw/zinc/56/27/73/350562773.db2.gz NPOUJTAKZDREOP-CQSZACIVSA-N 0 1 249.402 3.619 20 0 BHADMN C[C@@H](c1ccccn1)[N@@H+](C)CCCC(C)(C)C ZINC000337189381 176025724 /nfs/dbraw/zinc/02/57/24/176025724.db2.gz RLUVZJIETFKWAF-ZDUSSCGKSA-N 0 1 234.387 3.901 20 0 BHADMN Cc1cc(CN2Cc3ccccc3C2)c(C)s1 ZINC000337221390 178009064 /nfs/dbraw/zinc/00/90/64/178009064.db2.gz MHUMSEGIAQZPCY-UHFFFAOYSA-N 0 1 243.375 3.881 20 0 BHADMN Cc1cc([C@@H](C)NCCCC2CCCC2)no1 ZINC000337470785 178224658 /nfs/dbraw/zinc/22/46/58/178224658.db2.gz VZKGIWZUYCKNSF-GFCCVEGCSA-N 0 1 236.359 3.604 20 0 BHADMN Cc1cc([C@H](C)NCCCC2CCCC2)no1 ZINC000337470786 178247583 /nfs/dbraw/zinc/24/75/83/178247583.db2.gz VZKGIWZUYCKNSF-LBPRGKRZSA-N 0 1 236.359 3.604 20 0 BHADMN Cc1cc([C@H](C)N[C@H](C)CC(F)(F)F)oc1C ZINC000337475667 178256137 /nfs/dbraw/zinc/25/61/37/178256137.db2.gz OWQRDTXLTXHISF-BDAKNGLRSA-N 0 1 249.276 3.888 20 0 BHADMN Cc1cc([C@@H](C)N[C@@H](C)CC(F)(F)F)oc1C ZINC000337475668 178230681 /nfs/dbraw/zinc/23/06/81/178230681.db2.gz OWQRDTXLTXHISF-DTWKUNHWSA-N 0 1 249.276 3.888 20 0 BHADMN Cc1cc([C@H](C)N[C@@H](C)CC(F)(F)F)oc1C ZINC000337475671 178252431 /nfs/dbraw/zinc/25/24/31/178252431.db2.gz OWQRDTXLTXHISF-IUCAKERBSA-N 0 1 249.276 3.888 20 0 BHADMN Cc1cc([C@@H](C)N[C@H](C)CC(F)(F)F)oc1C ZINC000337475673 178233393 /nfs/dbraw/zinc/23/33/93/178233393.db2.gz OWQRDTXLTXHISF-RKDXNWHRSA-N 0 1 249.276 3.888 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccncc1F)c1ccccc1 ZINC000338032535 385882712 /nfs/dbraw/zinc/88/27/12/385882712.db2.gz WMHXSWIADHCXEI-NEPJUHHUSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccccc1)c1ccncc1F ZINC000338032536 385882816 /nfs/dbraw/zinc/88/28/16/385882816.db2.gz WMHXSWIADHCXEI-NWDGAFQWSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@H](N[C@@H](C)c1ccncc1F)c1ccccc1 ZINC000338032537 385882553 /nfs/dbraw/zinc/88/25/53/385882553.db2.gz WMHXSWIADHCXEI-RYUDHWBXSA-N 0 1 244.313 3.633 20 0 BHADMN C[C@@H](N[C@H](C)c1ccncc1F)c1ccccc1 ZINC000338032905 385883304 /nfs/dbraw/zinc/88/33/04/385883304.db2.gz WMHXSWIADHCXEI-VXGBXAGGSA-N 0 1 244.313 3.633 20 0 BHADMN CCN(Cc1c(Cl)cccc1OC)C(C)C ZINC000338235556 350674747 /nfs/dbraw/zinc/67/47/47/350674747.db2.gz WMULEKBJANVTMD-UHFFFAOYSA-N 0 1 241.762 3.579 20 0 BHADMN CC[C@@H](F)CN1CCC(C)=C(c2ccco2)C1 ZINC000338337759 385970785 /nfs/dbraw/zinc/97/07/85/385970785.db2.gz BQNMJVYLIDPUCP-GFCCVEGCSA-N 0 1 237.318 3.507 20 0 BHADMN CC[C@H](F)CN1CCC(C)=C(c2ccco2)C1 ZINC000338337761 385969625 /nfs/dbraw/zinc/96/96/25/385969625.db2.gz BQNMJVYLIDPUCP-LBPRGKRZSA-N 0 1 237.318 3.507 20 0 BHADMN C[C@H](C1CCCCC1)N(C)Cc1nccs1 ZINC000338340305 385970777 /nfs/dbraw/zinc/97/07/77/385970777.db2.gz ABVWBMPFHIUJAJ-LLVKDONJSA-N 0 1 238.400 3.544 20 0 BHADMN C[C@@H](C1CCCCC1)N(C)Cc1nccs1 ZINC000338340306 385971441 /nfs/dbraw/zinc/97/14/41/385971441.db2.gz ABVWBMPFHIUJAJ-NSHDSACASA-N 0 1 238.400 3.544 20 0 BHADMN CSCCCN(C)Cc1sccc1Cl ZINC000338540826 386048215 /nfs/dbraw/zinc/04/82/15/386048215.db2.gz QXMWRIVZMWBYKB-UHFFFAOYSA-N 0 1 249.832 3.586 20 0 BHADMN CC1=CCCN(Cc2sccc2Cl)C1 ZINC000338543129 168100651 /nfs/dbraw/zinc/10/06/51/168100651.db2.gz XQFJQAWWWDJTGI-UHFFFAOYSA-N 0 1 227.760 3.554 20 0 BHADMN CCCN(Cc1sccc1Cl)C1CC1 ZINC000338546313 169181821 /nfs/dbraw/zinc/18/18/21/169181821.db2.gz FOBVGNLSLKDVMX-UHFFFAOYSA-N 0 1 229.776 3.776 20 0 BHADMN Clc1ccsc1CN1CCC12CCC2 ZINC000338547172 386042402 /nfs/dbraw/zinc/04/24/02/386042402.db2.gz MFPBYFMUFBSBIT-UHFFFAOYSA-N 0 1 227.760 3.530 20 0 BHADMN CCN(Cc1sccc1Cl)C1CCC1 ZINC000338549305 350694731 /nfs/dbraw/zinc/69/47/31/350694731.db2.gz QDTBFQRGUPBGOX-UHFFFAOYSA-N 0 1 229.776 3.776 20 0 BHADMN C[C@@H](F)CCNc1ccnc2cc(F)ccc21 ZINC000338748930 386125584 /nfs/dbraw/zinc/12/55/84/386125584.db2.gz DKJZFJMFUAMLPH-SECBINFHSA-N 0 1 236.265 3.534 20 0 BHADMN C[C@H](F)CCNc1ccnc2cc(F)ccc21 ZINC000338748931 386126077 /nfs/dbraw/zinc/12/60/77/386126077.db2.gz DKJZFJMFUAMLPH-VIFPVBQESA-N 0 1 236.265 3.534 20 0 BHADMN CC1CN(Cc2c(Cl)oc3ccccc32)C1 ZINC000338955552 168189857 /nfs/dbraw/zinc/18/98/57/168189857.db2.gz FSTPYKYHJGXGSB-UHFFFAOYSA-N 0 1 235.714 3.538 20 0 BHADMN CC(C)c1nc(CN(C)[C@H](C)C(C)C)cs1 ZINC000338974512 386194432 /nfs/dbraw/zinc/19/44/32/386194432.db2.gz ZHGSAKCLLSXPAS-LLVKDONJSA-N 0 1 240.416 3.743 20 0 BHADMN CC(C)c1nc(CN(C)[C@@H](C)C(C)C)cs1 ZINC000338974513 386195487 /nfs/dbraw/zinc/19/54/87/386195487.db2.gz ZHGSAKCLLSXPAS-NSHDSACASA-N 0 1 240.416 3.743 20 0 BHADMN CC[N@@H+](Cc1ccncc1)[C@H]1C=CCCCCC1 ZINC000339059915 350730652 /nfs/dbraw/zinc/73/06/52/350730652.db2.gz BXQJTTWZEFETBR-INIZCTEOSA-N 0 1 244.382 3.792 20 0 BHADMN CC[N@@H+](Cc1ccncc1)[C@@H]1C=CCCCCC1 ZINC000339059916 350730311 /nfs/dbraw/zinc/73/03/11/350730311.db2.gz BXQJTTWZEFETBR-MRXNPFEDSA-N 0 1 244.382 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177203956 /nfs/dbraw/zinc/20/39/56/177203956.db2.gz IPTHPTBJICICBY-QWRGUYRKSA-N 0 1 239.309 3.585 20 0 BHADMN C[C@H]1CC[C@@H](N(C)Cc2c(F)cccc2F)C1 ZINC000339599399 177191754 /nfs/dbraw/zinc/19/17/54/177191754.db2.gz IPTHPTBJICICBY-WDEREUQCSA-N 0 1 239.309 3.585 20 0 BHADMN CN(Cc1c(F)cccc1F)CC1(C)CCC1 ZINC000339601870 386482452 /nfs/dbraw/zinc/48/24/52/386482452.db2.gz NKBWELMFPQLUBW-UHFFFAOYSA-N 0 1 239.309 3.587 20 0 BHADMN Cc1ccc2nc(SC3CCC3)[nH]c2c1 ZINC000339606582 386482496 /nfs/dbraw/zinc/48/24/96/386482496.db2.gz FJIJLJRDUQEEPQ-UHFFFAOYSA-N 0 1 218.325 3.516 20 0 BHADMN Cc1ccc(CN2CC=C(C(C)(C)C)CC2)nc1 ZINC000340191688 385868248 /nfs/dbraw/zinc/86/82/48/385868248.db2.gz UGXUILUZSIIXDT-UHFFFAOYSA-N 0 1 244.382 3.568 20 0 BHADMN Cc1cc(C)c(CN(C)Cc2ccoc2)c(C)c1 ZINC000340213574 352058571 /nfs/dbraw/zinc/05/85/71/352058571.db2.gz AYFAEFIAHLVXEF-UHFFFAOYSA-N 0 1 243.350 3.837 20 0 BHADMN C[C@H](N[C@H]1CCC[C@H]1F)c1ccc(F)c(F)c1 ZINC000340524745 386136046 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Cc1sccc1C[N@H+]1CCc2ccccc2C1 ZINC000350101042 355600760 /nfs/dbraw/zinc/60/07/60/355600760.db2.gz VHHIYVBSBVNTKK-UHFFFAOYSA-N 0 1 243.375 3.615 20 0 BHADMN CSc1ccc(CN(C)Cc2ccoc2)cc1 ZINC000350101474 355600667 /nfs/dbraw/zinc/60/06/67/355600667.db2.gz WVUHRRFUAUELRZ-UHFFFAOYSA-N 0 1 247.363 3.634 20 0 BHADMN CSc1ccc(C[N@@H+](C)Cc2ccoc2)cc1 ZINC000350101474 355600664 /nfs/dbraw/zinc/60/06/64/355600664.db2.gz WVUHRRFUAUELRZ-UHFFFAOYSA-N 0 1 247.363 3.634 20 0 BHADMN Cc1ccc(CN(C)Cc2cc(C)sc2C)o1 ZINC000350123943 355609070 /nfs/dbraw/zinc/60/90/70/355609070.db2.gz PYZUEOMOKNIRHU-UHFFFAOYSA-N 0 1 249.379 3.898 20 0 BHADMN Cc1ccoc1CN(C)Cc1cccc(Cl)c1 ZINC000350124824 355609284 /nfs/dbraw/zinc/60/92/84/355609284.db2.gz RCTKARALOQNRBU-UHFFFAOYSA-N 0 1 249.741 3.873 20 0 BHADMN Cc1ccc(CN(C)Cc2ccc(C)c(C)c2)o1 ZINC000350124863 355608763 /nfs/dbraw/zinc/60/87/63/355608763.db2.gz RRLNGVAQSMKHCF-UHFFFAOYSA-N 0 1 243.350 3.837 20 0 BHADMN Cc1sccc1CN(C)Cc1cccs1 ZINC000350221500 355651409 /nfs/dbraw/zinc/65/14/09/355651409.db2.gz NWKDBLFLSCRGPN-UHFFFAOYSA-N 0 1 237.393 3.750 20 0 BHADMN Cc1sccc1C[N@@H+](C)Cc1cccs1 ZINC000350221500 355651405 /nfs/dbraw/zinc/65/14/05/355651405.db2.gz NWKDBLFLSCRGPN-UHFFFAOYSA-N 0 1 237.393 3.750 20 0 BHADMN Cc1sccc1CN(C)Cc1cccc(F)c1 ZINC000350221675 355650770 /nfs/dbraw/zinc/65/07/70/355650770.db2.gz OVWCECBNIVZNJH-UHFFFAOYSA-N 0 1 249.354 3.828 20 0 BHADMN Cc1ccc(CN(C)Cc2ccsc2C)o1 ZINC000350242156 355654707 /nfs/dbraw/zinc/65/47/07/355654707.db2.gz RKRLUDYKZORSQU-UHFFFAOYSA-N 0 1 235.352 3.590 20 0 BHADMN Cc1sccc1CN(C)Cc1ccc(F)cc1 ZINC000350244035 355655942 /nfs/dbraw/zinc/65/59/42/355655942.db2.gz XWQZBMCXSICBAK-UHFFFAOYSA-N 0 1 249.354 3.828 20 0 BHADMN Cc1cc(Cl)cc(CN(C)Cc2ccco2)c1 ZINC000350278390 136357326 /nfs/dbraw/zinc/35/73/26/136357326.db2.gz LHVABOUSADPIQF-UHFFFAOYSA-N 0 1 249.741 3.873 20 0 BHADMN Cc1cc(Cl)cc(CN(C)Cc2ccoc2)c1 ZINC000350663253 136362654 /nfs/dbraw/zinc/36/26/54/136362654.db2.gz VAXIUYLISPFPQI-UHFFFAOYSA-N 0 1 249.741 3.873 20 0 BHADMN Cc1occc1CN(C)Cc1ccsc1C ZINC000350681751 355740608 /nfs/dbraw/zinc/74/06/08/355740608.db2.gz LZACXRFYNFWUDA-UHFFFAOYSA-N 0 1 235.352 3.590 20 0 BHADMN Cc1occc1C[N@H+](C)Cc1ccsc1C ZINC000350681751 355740605 /nfs/dbraw/zinc/74/06/05/355740605.db2.gz LZACXRFYNFWUDA-UHFFFAOYSA-N 0 1 235.352 3.590 20 0 BHADMN CC(C)CN(Cc1c(F)cccc1F)C1CC1 ZINC000351052464 355942850 /nfs/dbraw/zinc/94/28/50/355942850.db2.gz MCIJRIWUOJFYGJ-UHFFFAOYSA-N 0 1 239.309 3.585 20 0 BHADMN Cc1sccc1CN1Cc2ccccc2C1 ZINC000351477402 136245931 /nfs/dbraw/zinc/24/59/31/136245931.db2.gz QSOOCMXHIALEGH-UHFFFAOYSA-N 0 1 229.348 3.572 20 0 BHADMN c1cc(CN2CCC[C@H]2CCC2CCCC2)no1 ZINC000351531900 356009875 /nfs/dbraw/zinc/00/98/75/356009875.db2.gz FGXBBIMJXGKUQZ-HNNXBMFYSA-N 0 1 248.370 3.609 20 0 BHADMN c1cc(CN2CCC[C@@H]2CCC2CCCC2)no1 ZINC000351531901 356010235 /nfs/dbraw/zinc/01/02/35/356010235.db2.gz FGXBBIMJXGKUQZ-OAHLLOKOSA-N 0 1 248.370 3.609 20 0 BHADMN Cc1sccc1CN1CCc2ccsc2C1 ZINC000351608605 136370109 /nfs/dbraw/zinc/37/01/09/136370109.db2.gz PVRNHCAUWBMXER-UHFFFAOYSA-N 0 1 249.404 3.676 20 0 BHADMN Cc1cc(Cl)cc(CN(C)Cc2ccc[nH]2)c1 ZINC000351732871 356073474 /nfs/dbraw/zinc/07/34/74/356073474.db2.gz VBRBXTVRZDIVEI-UHFFFAOYSA-N 0 1 248.757 3.609 20 0 BHADMN C[C@@H](F)CCN(C)[C@H](C)c1cc(F)ccc1F ZINC000351854548 136258426 /nfs/dbraw/zinc/25/84/26/136258426.db2.gz DYUFKKSXUDYMON-NXEZZACHSA-N 0 1 245.288 3.706 20 0 BHADMN C[C@H](F)CCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000351854554 136258199 /nfs/dbraw/zinc/25/81/99/136258199.db2.gz DYUFKKSXUDYMON-UWVGGRQHSA-N 0 1 245.288 3.706 20 0 BHADMN C[C@H](c1cc(F)ccc1F)N(C)CC[C@H](C)F ZINC000351854555 136258289 /nfs/dbraw/zinc/25/82/89/136258289.db2.gz DYUFKKSXUDYMON-VHSXEESVSA-N 0 1 245.288 3.706 20 0 BHADMN C[C@@H](F)CCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000351854556 136258362 /nfs/dbraw/zinc/25/83/62/136258362.db2.gz DYUFKKSXUDYMON-ZJUUUORDSA-N 0 1 245.288 3.706 20 0 BHADMN CCc1ncc(C[N@@H+](CC(C)C)C(C)C)s1 ZINC000351887392 356146948 /nfs/dbraw/zinc/14/69/48/356146948.db2.gz FUKPTTIVZKSJAI-UHFFFAOYSA-N 0 1 240.416 3.572 20 0 BHADMN C[C@@H](c1c(F)cccc1F)N(C)CCCCF ZINC000351914231 356198161 /nfs/dbraw/zinc/19/81/61/356198161.db2.gz VZKMOOZWQGMNAN-JTQLQIEISA-N 0 1 245.288 3.707 20 0 BHADMN C[C@H](c1c(F)cccc1F)N(C)CCCCF ZINC000351914232 356198598 /nfs/dbraw/zinc/19/85/98/356198598.db2.gz VZKMOOZWQGMNAN-SNVBAGLBSA-N 0 1 245.288 3.707 20 0 BHADMN Cc1oc2ccccc2c1CNC(C)(C)CF ZINC000351932523 134014154 /nfs/dbraw/zinc/01/41/54/134014154.db2.gz UBSIOLHMJSXIKK-UHFFFAOYSA-N 0 1 235.302 3.579 20 0 BHADMN Cc1cc(C[N@H+]2CCCC3(CC3)C2)ccc1F ZINC000351940721 134014676 /nfs/dbraw/zinc/01/46/76/134014676.db2.gz HWNLIXIDHRNFQJ-UHFFFAOYSA-N 0 1 233.330 3.510 20 0 BHADMN Clc1ccccc1C[N@H+]1CCCC2(CC2)C1 ZINC000351940811 134014892 /nfs/dbraw/zinc/01/48/92/134014892.db2.gz IWIIXBDLQYXYLN-UHFFFAOYSA-N 0 1 235.758 3.716 20 0 BHADMN C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCCC3(CC3)C2)o1 ZINC000351940923 134014806 /nfs/dbraw/zinc/01/48/06/134014806.db2.gz KNZKPEXNKCCYLV-GXTWGEPZSA-N 0 1 245.366 3.779 20 0 BHADMN C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCCC3(CC3)C2)o1 ZINC000351940924 134014633 /nfs/dbraw/zinc/01/46/33/134014633.db2.gz KNZKPEXNKCCYLV-JSGCOSHPSA-N 0 1 245.366 3.779 20 0 BHADMN C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCCC3(CC3)C2)o1 ZINC000351940925 134014845 /nfs/dbraw/zinc/01/48/45/134014845.db2.gz KNZKPEXNKCCYLV-OCCSQVGLSA-N 0 1 245.366 3.779 20 0 BHADMN C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCCC3(CC3)C2)o1 ZINC000351940926 134014546 /nfs/dbraw/zinc/01/45/46/134014546.db2.gz KNZKPEXNKCCYLV-TZMCWYRMSA-N 0 1 245.366 3.779 20 0 BHADMN CC(C)(CF)NCc1ccccc1C(F)(F)F ZINC000351948174 134015819 /nfs/dbraw/zinc/01/58/19/134015819.db2.gz YXSRMRRDYODMMA-UHFFFAOYSA-N 0 1 249.251 3.543 20 0 BHADMN CC[C@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000351963296 134024392 /nfs/dbraw/zinc/02/43/92/134024392.db2.gz CNOFGANDXOHMIK-JTQLQIEISA-N 0 1 227.735 3.555 20 0 BHADMN CC[C@@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000351963297 134024672 /nfs/dbraw/zinc/02/46/72/134024672.db2.gz CNOFGANDXOHMIK-SNVBAGLBSA-N 0 1 227.735 3.555 20 0 BHADMN CCN(Cc1ncc(Cl)s1)[C@H](C)C(C)C ZINC000351988949 535392524 /nfs/dbraw/zinc/39/25/24/535392524.db2.gz NXHZRKPDHRPZPO-SECBINFHSA-N 0 1 246.807 3.663 20 0 BHADMN CCN(Cc1ncc(Cl)s1)[C@@H](C)C(C)C ZINC000351988950 535392707 /nfs/dbraw/zinc/39/27/07/535392707.db2.gz NXHZRKPDHRPZPO-VIFPVBQESA-N 0 1 246.807 3.663 20 0 BHADMN CC(C)CN(Cc1ncc(Cl)s1)C(C)C ZINC000351989961 134027043 /nfs/dbraw/zinc/02/70/43/134027043.db2.gz XBFBUCVDZVIPRC-UHFFFAOYSA-N 0 1 246.807 3.663 20 0 BHADMN CC[C@@H](C)CN(CC)Cc1ncc(Cl)s1 ZINC000351993521 535511446 /nfs/dbraw/zinc/51/14/46/535511446.db2.gz AUKAPZWEALXOSA-SECBINFHSA-N 0 1 246.807 3.665 20 0 BHADMN CC[C@H](C)CN(CC)Cc1ncc(Cl)s1 ZINC000351993522 134032821 /nfs/dbraw/zinc/03/28/21/134032821.db2.gz AUKAPZWEALXOSA-VIFPVBQESA-N 0 1 246.807 3.665 20 0 BHADMN CCCN(Cc1ncc(Cl)s1)CC(C)C ZINC000352011082 134035524 /nfs/dbraw/zinc/03/55/24/134035524.db2.gz OGXPAAZEXRJEKV-UHFFFAOYSA-N 0 1 246.807 3.665 20 0 BHADMN CN(CCCCF)Cc1ccc(F)cc1Cl ZINC000352024256 536334857 /nfs/dbraw/zinc/33/48/57/536334857.db2.gz FGWKQNMLEUXHOE-UHFFFAOYSA-N 0 1 247.716 3.661 20 0 BHADMN C[C@@H](F)CCN(C)Cc1ccc(F)cc1Cl ZINC000352030496 134044564 /nfs/dbraw/zinc/04/45/64/134044564.db2.gz WJWZESWRBWCMMT-SECBINFHSA-N 0 1 247.716 3.659 20 0 BHADMN C[C@H](F)CCN(C)Cc1ccc(F)cc1Cl ZINC000352030497 134045121 /nfs/dbraw/zinc/04/51/21/134045121.db2.gz WJWZESWRBWCMMT-VIFPVBQESA-N 0 1 247.716 3.659 20 0 BHADMN Cc1nccc(N(C)[C@@H](C)C(C)C)c1Cl ZINC000352067652 134054916 /nfs/dbraw/zinc/05/49/16/134054916.db2.gz DWPLYRFJTIUZKF-JTQLQIEISA-N 0 1 226.751 3.524 20 0 BHADMN Cc1nccc(N(C)[C@H](C)C(C)C)c1Cl ZINC000352067655 134054885 /nfs/dbraw/zinc/05/48/85/134054885.db2.gz DWPLYRFJTIUZKF-SNVBAGLBSA-N 0 1 226.751 3.524 20 0 BHADMN Cc1nccc(N2CCC[C@@H]2C(C)C)c1Cl ZINC000352078457 134057754 /nfs/dbraw/zinc/05/77/54/134057754.db2.gz YIZJGQCJZSMWFU-LLVKDONJSA-N 0 1 238.762 3.668 20 0 BHADMN Cc1nccc(N2CCC[C@H]2C(C)C)c1Cl ZINC000352078458 134057856 /nfs/dbraw/zinc/05/78/56/134057856.db2.gz YIZJGQCJZSMWFU-NSHDSACASA-N 0 1 238.762 3.668 20 0 BHADMN Cc1nccc(N2CCC[C@H](C)CC2)c1Cl ZINC000352081668 134060864 /nfs/dbraw/zinc/06/08/64/134060864.db2.gz GMXMTAKFYJLIQU-JTQLQIEISA-N 0 1 238.762 3.670 20 0 BHADMN Cc1nccc(N2CCC[C@@H](C)CC2)c1Cl ZINC000352081669 134061215 /nfs/dbraw/zinc/06/12/15/134061215.db2.gz GMXMTAKFYJLIQU-SNVBAGLBSA-N 0 1 238.762 3.670 20 0 BHADMN C[C@H](F)CCN(C)Cc1ccccc1Cl ZINC000352101549 134067455 /nfs/dbraw/zinc/06/74/55/134067455.db2.gz AMBDUZDHYNWILI-JTQLQIEISA-N 0 1 229.726 3.520 20 0 BHADMN C[C@@H](F)CCN(C)Cc1ccccc1Cl ZINC000352101550 134067565 /nfs/dbraw/zinc/06/75/65/134067565.db2.gz AMBDUZDHYNWILI-SNVBAGLBSA-N 0 1 229.726 3.520 20 0 BHADMN C[C@@H](F)CCN(Cc1ccccc1F)C1CC1 ZINC000352101917 134068104 /nfs/dbraw/zinc/06/81/04/134068104.db2.gz HDLHABZEYXPIDX-LLVKDONJSA-N 0 1 239.309 3.538 20 0 BHADMN C[C@H](F)CCN(Cc1ccccc1F)C1CC1 ZINC000352101918 134068265 /nfs/dbraw/zinc/06/82/65/134068265.db2.gz HDLHABZEYXPIDX-NSHDSACASA-N 0 1 239.309 3.538 20 0 BHADMN CCN(CCCCF)Cc1c(F)cccc1F ZINC000352123182 134074811 /nfs/dbraw/zinc/07/48/11/134074811.db2.gz LBLYLLQYEVASSN-UHFFFAOYSA-N 0 1 245.288 3.536 20 0 BHADMN CC1(C)CCCN(Cc2ccc(Cl)o2)C1 ZINC000352337908 387093811 /nfs/dbraw/zinc/09/38/11/387093811.db2.gz MIEPFIKOLZVMDU-UHFFFAOYSA-N 0 1 227.735 3.555 20 0 BHADMN CCCC[C@@H](C)N(C)Cc1ncc(C2CC2)o1 ZINC000352410954 356341819 /nfs/dbraw/zinc/34/18/19/356341819.db2.gz UYUUORZZDQHAPN-LLVKDONJSA-N 0 1 236.359 3.563 20 0 BHADMN CCCC[C@@H](C)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000352410954 356341817 /nfs/dbraw/zinc/34/18/17/356341817.db2.gz UYUUORZZDQHAPN-LLVKDONJSA-N 0 1 236.359 3.563 20 0 BHADMN CCCC[C@H](C)N(C)Cc1ncc(C2CC2)o1 ZINC000352410955 356341398 /nfs/dbraw/zinc/34/13/98/356341398.db2.gz UYUUORZZDQHAPN-NSHDSACASA-N 0 1 236.359 3.563 20 0 BHADMN CCCC[C@H](C)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000352410955 356341394 /nfs/dbraw/zinc/34/13/94/356341394.db2.gz UYUUORZZDQHAPN-NSHDSACASA-N 0 1 236.359 3.563 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ZINC000353877898 168115478 /nfs/dbraw/zinc/11/54/78/168115478.db2.gz CTTUVDXTTDYNBP-JSGCOSHPSA-N 0 1 231.339 3.555 20 0 BHADMN CC1=CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000353877900 168116251 /nfs/dbraw/zinc/11/62/51/168116251.db2.gz CTTUVDXTTDYNBP-OCCSQVGLSA-N 0 1 231.339 3.555 20 0 BHADMN CC1=CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000353877904 168116086 /nfs/dbraw/zinc/11/60/86/168116086.db2.gz CTTUVDXTTDYNBP-TZMCWYRMSA-N 0 1 231.339 3.555 20 0 BHADMN C[C@@H]1CC[C@@H](C)N(Cc2c(F)cccc2F)C1 ZINC000353878466 354815978 /nfs/dbraw/zinc/81/59/78/354815978.db2.gz DAIUBGQZXSSAAH-GHMZBOCLSA-N 0 1 239.309 3.585 20 0 BHADMN C[C@@H]1CC[C@H](C)N(Cc2c(F)cccc2F)C1 ZINC000353878467 354815893 /nfs/dbraw/zinc/81/58/93/354815893.db2.gz DAIUBGQZXSSAAH-MNOVXSKESA-N 0 1 239.309 3.585 20 0 BHADMN C[C@H]1CC[C@H](C)N(Cc2c(F)cccc2F)C1 ZINC000353878468 354815903 /nfs/dbraw/zinc/81/59/03/354815903.db2.gz DAIUBGQZXSSAAH-QWRGUYRKSA-N 0 1 239.309 3.585 20 0 BHADMN C[C@@H]1CC[C@H](C)CN1Cc1c(F)cccc1F ZINC000353878469 354815935 /nfs/dbraw/zinc/81/59/35/354815935.db2.gz DAIUBGQZXSSAAH-WDEREUQCSA-N 0 1 239.309 3.585 20 0 BHADMN CCC[C@]1(C)CCCN(Cc2nccs2)C1 ZINC000353908709 387294218 /nfs/dbraw/zinc/29/42/18/387294218.db2.gz CYYAYVSLKUBEBN-CYBMUJFWSA-N 0 1 238.400 3.545 20 0 BHADMN CCC[C@@]1(C)CCCN(Cc2nccs2)C1 ZINC000353908710 387294670 /nfs/dbraw/zinc/29/46/70/387294670.db2.gz CYYAYVSLKUBEBN-ZDUSSCGKSA-N 0 1 238.400 3.545 20 0 BHADMN CCc1cccc(F)c1CNCc1ccsc1 ZINC000353932103 387300201 /nfs/dbraw/zinc/30/02/01/387300201.db2.gz LRZINSNSAYIUAL-UHFFFAOYSA-N 0 1 249.354 3.739 20 0 BHADMN Cc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)o1 ZINC000354045758 387319932 /nfs/dbraw/zinc/31/99/32/387319932.db2.gz ZKSHMERFUPVYJI-BLLLJJGKSA-N 0 1 241.334 3.781 20 0 BHADMN Cc1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)o1 ZINC000354045759 387319618 /nfs/dbraw/zinc/31/96/18/387319618.db2.gz ZKSHMERFUPVYJI-LRDDRELGSA-N 0 1 241.334 3.781 20 0 BHADMN Cc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000354045760 387320184 /nfs/dbraw/zinc/32/01/84/387320184.db2.gz ZKSHMERFUPVYJI-MLGOLLRUSA-N 0 1 241.334 3.781 20 0 BHADMN Cc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000354045761 387319660 /nfs/dbraw/zinc/31/96/60/387319660.db2.gz ZKSHMERFUPVYJI-WBMJQRKESA-N 0 1 241.334 3.781 20 0 BHADMN CC[C@]1(C)CCN(Cc2ccc(Cl)o2)C1 ZINC000354100414 387330154 /nfs/dbraw/zinc/33/01/54/387330154.db2.gz MGBUIKTVWSYUFP-GFCCVEGCSA-N 0 1 227.735 3.555 20 0 BHADMN CC[C@@]1(C)CCN(Cc2ccc(Cl)o2)C1 ZINC000354100415 171200539 /nfs/dbraw/zinc/20/05/39/171200539.db2.gz MGBUIKTVWSYUFP-LBPRGKRZSA-N 0 1 227.735 3.555 20 0 BHADMN CC[C@@H]1CCCN(c2ccnc(C)c2Cl)C1 ZINC000354130612 132269193 /nfs/dbraw/zinc/26/91/93/132269193.db2.gz BAUFUAFWFUZCCA-LLVKDONJSA-N 0 1 238.762 3.670 20 0 BHADMN CC[C@H]1CCCN(c2ccnc(C)c2Cl)C1 ZINC000354130624 132269401 /nfs/dbraw/zinc/26/94/01/132269401.db2.gz BAUFUAFWFUZCCA-NSHDSACASA-N 0 1 238.762 3.670 20 0 BHADMN CC[C@]1(C)CCN(c2ccnc(C)c2Cl)C1 ZINC000354155239 385792043 /nfs/dbraw/zinc/79/20/43/385792043.db2.gz JXWVURJFVPZYGO-CYBMUJFWSA-N 0 1 238.762 3.670 20 0 BHADMN CC[C@@]1(C)CCN(c2ccnc(C)c2Cl)C1 ZINC000354155240 171202220 /nfs/dbraw/zinc/20/22/20/171202220.db2.gz JXWVURJFVPZYGO-ZDUSSCGKSA-N 0 1 238.762 3.670 20 0 BHADMN Cc1nccc(N(C)[C@@H](C)C2(C)CC2)c1Cl ZINC000354166899 191140364 /nfs/dbraw/zinc/14/03/64/191140364.db2.gz ZKVYBGJXOCVATB-JTQLQIEISA-N 0 1 238.762 3.668 20 0 BHADMN Cc1nccc(N(C)[C@H](C)C2(C)CC2)c1Cl ZINC000354166900 385832644 /nfs/dbraw/zinc/83/26/44/385832644.db2.gz ZKVYBGJXOCVATB-SNVBAGLBSA-N 0 1 238.762 3.668 20 0 BHADMN C[C@H](CCC1CC1)Nc1cc2c(cn1)CCC2 ZINC000354532190 385631664 /nfs/dbraw/zinc/63/16/64/385631664.db2.gz AICABCUVZWNIGV-LLVKDONJSA-N 0 1 230.355 3.561 20 0 BHADMN C[C@@H](CCC1CC1)Nc1cc2c(cn1)CCC2 ZINC000354532191 175662704 /nfs/dbraw/zinc/66/27/04/175662704.db2.gz AICABCUVZWNIGV-NSHDSACASA-N 0 1 230.355 3.561 20 0 BHADMN c1nc(N[C@H]2CCC[C@@H]2C2CC2)cc2c1CCC2 ZINC000354532603 387391373 /nfs/dbraw/zinc/39/13/73/387391373.db2.gz BWGHVYXIEMZWTO-CABCVRRESA-N 0 1 242.366 3.561 20 0 BHADMN c1nc(N[C@H]2CCC[C@H]2C2CC2)cc2c1CCC2 ZINC000354532606 387391292 /nfs/dbraw/zinc/39/12/92/387391292.db2.gz BWGHVYXIEMZWTO-GJZGRUSLSA-N 0 1 242.366 3.561 20 0 BHADMN c1nc(N[C@@H]2CCC[C@@H]2C2CC2)cc2c1CCC2 ZINC000354532608 387392120 /nfs/dbraw/zinc/39/21/20/387392120.db2.gz BWGHVYXIEMZWTO-HUUCEWRRSA-N 0 1 242.366 3.561 20 0 BHADMN c1nc(N[C@@H]2CCC[C@H]2C2CC2)cc2c1CCC2 ZINC000354532611 387391861 /nfs/dbraw/zinc/39/18/61/387391861.db2.gz BWGHVYXIEMZWTO-LSDHHAIUSA-N 0 1 242.366 3.561 20 0 BHADMN c1nc(N[C@H]2CC[C@@H]2C2CCC2)cc2c1CCC2 ZINC000354538302 387392579 /nfs/dbraw/zinc/39/25/79/387392579.db2.gz MDLADXVQDMNOPU-CABCVRRESA-N 0 1 242.366 3.561 20 0 BHADMN c1nc(N[C@H]2CC[C@H]2C2CCC2)cc2c1CCC2 ZINC000354538303 183534755 /nfs/dbraw/zinc/53/47/55/183534755.db2.gz MDLADXVQDMNOPU-GJZGRUSLSA-N 0 1 242.366 3.561 20 0 BHADMN c1nc(N[C@@H]2CC[C@@H]2C2CCC2)cc2c1CCC2 ZINC000354538304 387392400 /nfs/dbraw/zinc/39/24/00/387392400.db2.gz MDLADXVQDMNOPU-HUUCEWRRSA-N 0 1 242.366 3.561 20 0 BHADMN c1nc(N[C@@H]2CC[C@H]2C2CCC2)cc2c1CCC2 ZINC000354538305 387391994 /nfs/dbraw/zinc/39/19/94/387391994.db2.gz MDLADXVQDMNOPU-LSDHHAIUSA-N 0 1 242.366 3.561 20 0 BHADMN c1nc(NC2CCC3(CC3)CC2)cc2c1CCC2 ZINC000354540708 387392680 /nfs/dbraw/zinc/39/26/80/387392680.db2.gz NJWHSTAGIVBDLV-UHFFFAOYSA-N 0 1 242.366 3.705 20 0 BHADMN Cc1cccc(C)c1[C@H](C)NCc1ccccn1 ZINC000354646339 179049143 /nfs/dbraw/zinc/04/91/43/179049143.db2.gz SIHBMYFQPBWYHR-AWEZNQCLSA-N 0 1 240.350 3.549 20 0 BHADMN Cc1cccc(C)c1[C@@H](C)NCc1ccccn1 ZINC000354646341 179049358 /nfs/dbraw/zinc/04/93/58/179049358.db2.gz SIHBMYFQPBWYHR-CQSZACIVSA-N 0 1 240.350 3.549 20 0 BHADMN CC1(C)C[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000354681940 387414842 /nfs/dbraw/zinc/41/48/42/387414842.db2.gz ZTNXAPXOGYUFPC-CYBMUJFWSA-N 0 1 230.286 3.584 20 0 BHADMN CC1(C)C[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000354681941 188237128 /nfs/dbraw/zinc/23/71/28/188237128.db2.gz ZTNXAPXOGYUFPC-ZDUSSCGKSA-N 0 1 230.286 3.584 20 0 BHADMN Cc1ccoc1C[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000354900333 387444448 /nfs/dbraw/zinc/44/44/48/387444448.db2.gz BRQMDXHRERLOOU-CYBMUJFWSA-N 0 1 233.355 3.600 20 0 BHADMN Cc1ccoc1C[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000354900342 387445362 /nfs/dbraw/zinc/44/53/62/387445362.db2.gz BRQMDXHRERLOOU-ZDUSSCGKSA-N 0 1 233.355 3.600 20 0 BHADMN Cc1ccc(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)o1 ZINC000354902110 387444657 /nfs/dbraw/zinc/44/46/57/387444657.db2.gz DPIXZVKGGFVDRZ-GFCCVEGCSA-N 0 1 233.355 3.600 20 0 BHADMN Cc1ccc(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)o1 ZINC000354902112 387444767 /nfs/dbraw/zinc/44/47/67/387444767.db2.gz DPIXZVKGGFVDRZ-LBPRGKRZSA-N 0 1 233.355 3.600 20 0 BHADMN CCN(CCC1CC1)Cc1c(F)cccc1F ZINC000355035840 387468561 /nfs/dbraw/zinc/46/85/61/387468561.db2.gz IOKAGFNKTUSTNA-UHFFFAOYSA-N 0 1 239.309 3.587 20 0 BHADMN C[C@H](N(C)Cc1c(F)cccc1F)C1(C)CC1 ZINC000355093474 387480279 /nfs/dbraw/zinc/48/02/79/387480279.db2.gz XJFGYCUYZAOYOQ-JTQLQIEISA-N 0 1 239.309 3.585 20 0 BHADMN C[C@@H](N(C)Cc1c(F)cccc1F)C1(C)CC1 ZINC000355093476 387479739 /nfs/dbraw/zinc/47/97/39/387479739.db2.gz XJFGYCUYZAOYOQ-SNVBAGLBSA-N 0 1 239.309 3.585 20 0 BHADMN Cc1nccc(N2CC[C@@H](C)[C@H](C)C2)c1Cl ZINC000355095342 132270919 /nfs/dbraw/zinc/27/09/19/132270919.db2.gz NJEHXXCJKLCNRF-NXEZZACHSA-N 0 1 238.762 3.526 20 0 BHADMN Cc1nccc(N2CC[C@H](C)[C@@H](C)C2)c1Cl ZINC000355095346 132270780 /nfs/dbraw/zinc/27/07/80/132270780.db2.gz NJEHXXCJKLCNRF-UWVGGRQHSA-N 0 1 238.762 3.526 20 0 BHADMN Cc1nccc(N2CC[C@H](C)[C@H](C)C2)c1Cl ZINC000355095349 132270947 /nfs/dbraw/zinc/27/09/47/132270947.db2.gz NJEHXXCJKLCNRF-VHSXEESVSA-N 0 1 238.762 3.526 20 0 BHADMN Cc1nccc(N2CC[C@@H](C)[C@@H](C)C2)c1Cl ZINC000355095359 132270682 /nfs/dbraw/zinc/27/06/82/132270682.db2.gz NJEHXXCJKLCNRF-ZJUUUORDSA-N 0 1 238.762 3.526 20 0 BHADMN CC[C@@H]1CC[C@H](C)N1c1ccnc(C)c1Cl ZINC000355108231 171056273 /nfs/dbraw/zinc/05/62/73/171056273.db2.gz OWHQRULKWVITSQ-GXSJLCMTSA-N 0 1 238.762 3.811 20 0 BHADMN CC[C@H]1CC[C@@H](C)N1c1ccnc(C)c1Cl ZINC000355108241 411301564 /nfs/dbraw/zinc/30/15/64/411301564.db2.gz OWHQRULKWVITSQ-KOLCDFICSA-N 0 1 238.762 3.811 20 0 BHADMN CC[C@@H]1CC[C@@H](C)N1c1ccnc(C)c1Cl ZINC000355108244 171039217 /nfs/dbraw/zinc/03/92/17/171039217.db2.gz OWHQRULKWVITSQ-MWLCHTKSSA-N 0 1 238.762 3.811 20 0 BHADMN CC[C@H]1CC[C@H](C)N1c1ccnc(C)c1Cl ZINC000355108247 411301738 /nfs/dbraw/zinc/30/17/38/411301738.db2.gz OWHQRULKWVITSQ-ONGXEEELSA-N 0 1 238.762 3.811 20 0 BHADMN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccsc1 ZINC000355210319 387498245 /nfs/dbraw/zinc/49/82/45/387498245.db2.gz BVSNYXWIONRYML-PSASIEDQSA-N 0 1 249.301 3.521 20 0 BHADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccsc1 ZINC000355210322 387497785 /nfs/dbraw/zinc/49/77/85/387497785.db2.gz BVSNYXWIONRYML-SCZZXKLOSA-N 0 1 249.301 3.521 20 0 BHADMN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccsc1 ZINC000355210325 387498441 /nfs/dbraw/zinc/49/84/41/387498441.db2.gz BVSNYXWIONRYML-WCBMZHEXSA-N 0 1 249.301 3.521 20 0 BHADMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccsc1 ZINC000355210329 387497583 /nfs/dbraw/zinc/49/75/83/387497583.db2.gz BVSNYXWIONRYML-WPRPVWTQSA-N 0 1 249.301 3.521 20 0 BHADMN Clc1ccc(CN2CCCC3(CCC3)C2)o1 ZINC000355219004 387499227 /nfs/dbraw/zinc/49/92/27/387499227.db2.gz LNXNWBZYBGEMFM-UHFFFAOYSA-N 0 1 239.746 3.699 20 0 BHADMN Clc1ccc(C[N@H+]2CCCC3(CCC3)C2)o1 ZINC000355219004 387499223 /nfs/dbraw/zinc/49/92/23/387499223.db2.gz LNXNWBZYBGEMFM-UHFFFAOYSA-N 0 1 239.746 3.699 20 0 BHADMN CCc1ccc(C[N@H+]2CCCC3(CCC3)C2)o1 ZINC000355224148 387499996 /nfs/dbraw/zinc/49/99/96/387499996.db2.gz QJPMNAQEQBHKJX-UHFFFAOYSA-N 0 1 233.355 3.608 20 0 BHADMN CCCCC[C@@H]1CCCN1Cc1nccs1 ZINC000355227981 387500525 /nfs/dbraw/zinc/50/05/25/387500525.db2.gz VVILCCYUIVMWQN-GFCCVEGCSA-N 0 1 238.400 3.688 20 0 BHADMN CCCCC[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC000355227981 387500522 /nfs/dbraw/zinc/50/05/22/387500522.db2.gz VVILCCYUIVMWQN-GFCCVEGCSA-N 0 1 238.400 3.688 20 0 BHADMN CCCCC[C@H]1CCCN1Cc1nccs1 ZINC000355227982 387500330 /nfs/dbraw/zinc/50/03/30/387500330.db2.gz VVILCCYUIVMWQN-LBPRGKRZSA-N 0 1 238.400 3.688 20 0 BHADMN CCCCC[C@H]1CCC[N@H+]1Cc1nccs1 ZINC000355227982 387500327 /nfs/dbraw/zinc/50/03/27/387500327.db2.gz VVILCCYUIVMWQN-LBPRGKRZSA-N 0 1 238.400 3.688 20 0 BHADMN CCCc1csc(CN(C)C(C)(C)CC)n1 ZINC000355291804 188237068 /nfs/dbraw/zinc/23/70/68/188237068.db2.gz NWFKZJUUDBBCLU-UHFFFAOYSA-N 0 1 240.416 3.716 20 0 BHADMN Cc1oc2ccccc2c1CN1CC[C@](C)(F)C1 ZINC000355358415 387526238 /nfs/dbraw/zinc/52/62/38/387526238.db2.gz XUJQWULSDSFIBQ-HNNXBMFYSA-N 0 1 247.313 3.675 20 0 BHADMN Cc1oc2ccccc2c1CN1CC[C@@](C)(F)C1 ZINC000355358416 387524849 /nfs/dbraw/zinc/52/48/49/387524849.db2.gz XUJQWULSDSFIBQ-OAHLLOKOSA-N 0 1 247.313 3.675 20 0 BHADMN Cc1ccncc1C[N@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000355580638 387554482 /nfs/dbraw/zinc/55/44/82/387554482.db2.gz HEULANQQEHPJFW-DZGCQCFKSA-N 0 1 246.398 3.648 20 0 BHADMN Cc1ccncc1C[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000355580642 387553998 /nfs/dbraw/zinc/55/39/98/387553998.db2.gz HEULANQQEHPJFW-HIFRSBDPSA-N 0 1 246.398 3.648 20 0 BHADMN Cc1ccncc1C[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000355580645 387554223 /nfs/dbraw/zinc/55/42/23/387554223.db2.gz HEULANQQEHPJFW-UKRRQHHQSA-N 0 1 246.398 3.648 20 0 BHADMN Cc1ccncc1C[N@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000355580649 387553975 /nfs/dbraw/zinc/55/39/75/387553975.db2.gz HEULANQQEHPJFW-ZFWWWQNUSA-N 0 1 246.398 3.648 20 0 BHADMN CCN(Cc1c(F)cccc1F)CC1CCC1 ZINC000355612856 356766891 /nfs/dbraw/zinc/76/68/91/356766891.db2.gz UTFBLDZESIJZSQ-UHFFFAOYSA-N 0 1 239.309 3.587 20 0 BHADMN Cc1occc1CNCc1ccc(Cl)c(C)c1 ZINC000355657382 178027841 /nfs/dbraw/zinc/02/78/41/178027841.db2.gz ABPJPXFLMXWCGU-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN Cc1nccc(N2CCCC[C@H](C)C2)c1Cl ZINC000355673394 387563762 /nfs/dbraw/zinc/56/37/62/387563762.db2.gz OWHHYKYQPRJQBU-JTQLQIEISA-N 0 1 238.762 3.670 20 0 BHADMN Cc1nccc(N2CCCC[C@@H](C)C2)c1Cl ZINC000355673400 187212394 /nfs/dbraw/zinc/21/23/94/187212394.db2.gz OWHHYKYQPRJQBU-SNVBAGLBSA-N 0 1 238.762 3.670 20 0 BHADMN Cc1occc1CN(C)[C@@H](C)c1cccs1 ZINC000355691200 397918391 /nfs/dbraw/zinc/91/83/91/397918391.db2.gz DVTYTDUUVRGTSU-JTQLQIEISA-N 0 1 235.352 3.843 20 0 BHADMN Cc1occc1CN(C)[C@H](C)c1cccs1 ZINC000355691201 397918042 /nfs/dbraw/zinc/91/80/42/397918042.db2.gz DVTYTDUUVRGTSU-SNVBAGLBSA-N 0 1 235.352 3.843 20 0 BHADMN C[C@H]1c2ccccc2CCN1CCC(F)(F)F ZINC000355876388 387587445 /nfs/dbraw/zinc/58/74/45/387587445.db2.gz AKYDOWVWZSVHTF-JTQLQIEISA-N 0 1 243.272 3.558 20 0 BHADMN C[C@@H]1c2ccccc2CCN1CCC(F)(F)F ZINC000355876389 387587915 /nfs/dbraw/zinc/58/79/15/387587915.db2.gz AKYDOWVWZSVHTF-SNVBAGLBSA-N 0 1 243.272 3.558 20 0 BHADMN FC(F)(F)CCN(Cc1cccs1)C1CC1 ZINC000355881401 387589783 /nfs/dbraw/zinc/58/97/83/387589783.db2.gz PWAHGQHDCBFIPX-UHFFFAOYSA-N 0 1 249.301 3.665 20 0 BHADMN Cc1cccc(CN(C)[C@H](C)c2cccs2)n1 ZINC000355915743 179069629 /nfs/dbraw/zinc/06/96/29/179069629.db2.gz PIZDZWHGLWEUGS-GFCCVEGCSA-N 0 1 246.379 3.645 20 0 BHADMN Cc1cccc(CN(C)[C@@H](C)c2cccs2)n1 ZINC000355915747 179070288 /nfs/dbraw/zinc/07/02/88/179070288.db2.gz PIZDZWHGLWEUGS-LBPRGKRZSA-N 0 1 246.379 3.645 20 0 BHADMN CCc1cnc(CN(C)[C@H](C)CC(C)C)s1 ZINC000355919009 356781504 /nfs/dbraw/zinc/78/15/04/356781504.db2.gz WBGYSCYONMDKGO-LLVKDONJSA-N 0 1 240.416 3.572 20 0 BHADMN CCc1cnc(CN(C)[C@@H](C)CC(C)C)s1 ZINC000355919010 356781443 /nfs/dbraw/zinc/78/14/43/356781443.db2.gz WBGYSCYONMDKGO-NSHDSACASA-N 0 1 240.416 3.572 20 0 BHADMN C[C@@H]1CCN(Cc2cscc2C(F)(F)F)C1 ZINC000356067756 176177251 /nfs/dbraw/zinc/17/72/51/176177251.db2.gz ROFMEBBZASGDBF-MRVPVSSYSA-N 0 1 249.301 3.609 20 0 BHADMN C[C@H]1CCN(Cc2cscc2C(F)(F)F)C1 ZINC000356067758 177167678 /nfs/dbraw/zinc/16/76/78/177167678.db2.gz ROFMEBBZASGDBF-QMMMGPOBSA-N 0 1 249.301 3.609 20 0 BHADMN CC1=C[C@@H](C)C[C@H](C[N@@H+](C)Cc2ccoc2)C1 ZINC000356083825 168124823 /nfs/dbraw/zinc/12/48/23/168124823.db2.gz KDCDFHNMQZHLLM-DOMZBBRYSA-N 0 1 233.355 3.704 20 0 BHADMN CSc1ccc(CN2CCC23CCC3)s1 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0 1 249.741 3.873 20 0 BHADMN C[C@@H]1CCC[C@@H](C[N@@H+](C)Cc2ccco2)C1 ZINC000356956550 176117347 /nfs/dbraw/zinc/11/73/47/176117347.db2.gz MEVGRBOXJCPXSZ-CHWSQXEVSA-N 0 1 221.344 3.538 20 0 BHADMN C[C@@H]1CCC[C@H](C[N@@H+](C)Cc2ccco2)C1 ZINC000356956552 176137545 /nfs/dbraw/zinc/13/75/45/176137545.db2.gz MEVGRBOXJCPXSZ-OLZOCXBDSA-N 0 1 221.344 3.538 20 0 BHADMN Cc1cc(CN(C)Cc2ccc[nH]2)ccc1Cl ZINC000356971729 387757383 /nfs/dbraw/zinc/75/73/83/387757383.db2.gz AOEDVQOZHARNPT-UHFFFAOYSA-N 0 1 248.757 3.609 20 0 BHADMN Cc1cnc([C@@H](C)N(C)CC2CCCCC2)o1 ZINC000356975126 387756380 /nfs/dbraw/zinc/75/63/80/387756380.db2.gz JNJJDTHNDCAGFA-GFCCVEGCSA-N 0 1 236.359 3.556 20 0 BHADMN Cc1cnc([C@H](C)N(C)CC2CCCCC2)o1 ZINC000356975128 387757755 /nfs/dbraw/zinc/75/77/55/387757755.db2.gz JNJJDTHNDCAGFA-LBPRGKRZSA-N 0 1 236.359 3.556 20 0 BHADMN CCC[C@@H]1CCCN([C@H](C)c2ncc(C)o2)C1 ZINC000356985215 387759803 /nfs/dbraw/zinc/75/98/03/387759803.db2.gz NOQGEVOXMCRKSD-CHWSQXEVSA-N 0 1 236.359 3.556 20 0 BHADMN CCC[C@H]1CCCN([C@H](C)c2ncc(C)o2)C1 ZINC000356985217 387759223 /nfs/dbraw/zinc/75/92/23/387759223.db2.gz NOQGEVOXMCRKSD-OLZOCXBDSA-N 0 1 236.359 3.556 20 0 BHADMN CCC[C@@H]1CCCN([C@@H](C)c2ncc(C)o2)C1 ZINC000356985218 387759497 /nfs/dbraw/zinc/75/94/97/387759497.db2.gz NOQGEVOXMCRKSD-QWHCGFSZSA-N 0 1 236.359 3.556 20 0 BHADMN CCC[C@H]1CCCN([C@@H](C)c2ncc(C)o2)C1 ZINC000356985220 387759973 /nfs/dbraw/zinc/75/99/73/387759973.db2.gz NOQGEVOXMCRKSD-STQMWFEESA-N 0 1 236.359 3.556 20 0 BHADMN C[C@@H]1CCC[C@@H](C[N@@H+](C)Cc2ccoc2)C1 ZINC000356996093 176117580 /nfs/dbraw/zinc/11/75/80/176117580.db2.gz HLSNCTSOVNFSKI-CHWSQXEVSA-N 0 1 221.344 3.538 20 0 BHADMN C[C@@H]1CCC[C@H](C[N@@H+](C)Cc2ccoc2)C1 ZINC000356996094 176137504 /nfs/dbraw/zinc/13/75/04/176137504.db2.gz HLSNCTSOVNFSKI-OLZOCXBDSA-N 0 1 221.344 3.538 20 0 BHADMN Cc1cc(CN(C)Cc2ccoc2)ccc1Cl ZINC000356998194 387762127 /nfs/dbraw/zinc/76/21/27/387762127.db2.gz SUDURHUMKGSOEG-UHFFFAOYSA-N 0 1 249.741 3.873 20 0 BHADMN 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ZINC000357488547 384905019 /nfs/dbraw/zinc/90/50/19/384905019.db2.gz TWLNGDGYVIKEDF-NSHDSACASA-N 0 1 240.416 3.572 20 0 BHADMN CCCc1nc(C[N@@H+](C)[C@@H](C)C(C)C)cs1 ZINC000357488547 384905012 /nfs/dbraw/zinc/90/50/12/384905012.db2.gz TWLNGDGYVIKEDF-NSHDSACASA-N 0 1 240.416 3.572 20 0 BHADMN Cc1cccc(NCC2(c3ccccc3)CC2)n1 ZINC000357892191 179144327 /nfs/dbraw/zinc/14/43/27/179144327.db2.gz SLVXBKXNYKQOFY-UHFFFAOYSA-N 0 1 238.334 3.534 20 0 BHADMN Cc1occc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000358026797 178228347 /nfs/dbraw/zinc/22/83/47/178228347.db2.gz VFEIKWGROFDHQS-LLVKDONJSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1occc1CN[C@@H](C)c1ccc(F)c(C)c1 ZINC000358026805 178251493 /nfs/dbraw/zinc/25/14/93/178251493.db2.gz VFEIKWGROFDHQS-NSHDSACASA-N 0 1 247.313 3.886 20 0 BHADMN CSc1ccccc1C[N@H+]1CCC12CCC2 ZINC000358061298 386886600 /nfs/dbraw/zinc/88/66/00/386886600.db2.gz HKEGDTATMYDLFW-UHFFFAOYSA-N 0 1 233.380 3.537 20 0 BHADMN CCCn1ccc(-c2nc3ccc(F)cc3[nH]2)c1 ZINC000358106418 384664867 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HQDCVNWTNGWLLS-JTQLQIEISA-N 0 1 221.325 3.500 20 0 BHADMN Cc1csc(CN[C@H](C)c2ccoc2)c1 ZINC000379039478 346896891 /nfs/dbraw/zinc/89/68/91/346896891.db2.gz HQDCVNWTNGWLLS-SNVBAGLBSA-N 0 1 221.325 3.500 20 0 BHADMN C[C@@H](NCCC(C)(F)F)c1c(F)cccc1F ZINC000379171795 356428427 /nfs/dbraw/zinc/42/84/27/356428427.db2.gz LFTMRRIARCIKOQ-MRVPVSSYSA-N 0 1 249.251 3.661 20 0 BHADMN C[C@H](NCCC(C)(F)F)c1c(F)cccc1F ZINC000379171796 356428187 /nfs/dbraw/zinc/42/81/87/356428187.db2.gz LFTMRRIARCIKOQ-QMMMGPOBSA-N 0 1 249.251 3.661 20 0 BHADMN CCCCN(C)Cc1cscc1Cl ZINC000379372587 584129309 /nfs/dbraw/zinc/12/93/09/584129309.db2.gz JRFVZSUWINBFHI-UHFFFAOYSA-N 0 1 217.765 3.633 20 0 BHADMN CCN(Cc1cscc1Cl)C(C)C ZINC000379382538 712379785 /nfs/dbraw/zinc/37/97/85/712379785.db2.gz JBUHDQJPHCUUBA-UHFFFAOYSA-N 0 1 217.765 3.632 20 0 BHADMN CCN(C/C(Cl)=C\Cl)[C@@H](C)C(C)C ZINC000379387191 712380713 /nfs/dbraw/zinc/38/07/13/712380713.db2.gz GVVZYZXEWBPUAH-CMWXKVOJSA-N 0 1 224.175 3.672 20 0 BHADMN CCN(C/C(Cl)=C/Cl)[C@@H](C)C(C)C ZINC000379387192 712380689 /nfs/dbraw/zinc/38/06/89/712380689.db2.gz GVVZYZXEWBPUAH-LKJZUNMESA-N 0 1 224.175 3.672 20 0 BHADMN CCN(C/C(Cl)=C/Cl)[C@H](C)C(C)C ZINC000379387193 711800994 /nfs/dbraw/zinc/80/09/94/711800994.db2.gz GVVZYZXEWBPUAH-WPVMNKCKSA-N 0 1 224.175 3.672 20 0 BHADMN CCN(C/C(Cl)=C\Cl)[C@H](C)C(C)C ZINC000379387194 712381091 /nfs/dbraw/zinc/38/10/91/712381091.db2.gz GVVZYZXEWBPUAH-ZFZMKPAXSA-N 0 1 224.175 3.672 20 0 BHADMN FC1(F)CCC[C@H]1NCCC1CCCCC1 ZINC000379466816 538977573 /nfs/dbraw/zinc/97/75/73/538977573.db2.gz YDBICXVWOMOIDU-GFCCVEGCSA-N 0 1 231.330 3.734 20 0 BHADMN FC1(F)CCC[C@@H]1NCCC1CCCCC1 ZINC000379466817 538977901 /nfs/dbraw/zinc/97/79/01/538977901.db2.gz YDBICXVWOMOIDU-LBPRGKRZSA-N 0 1 231.330 3.734 20 0 BHADMN Clc1ccc(CNCC2=CCCCC2)o1 ZINC000379568623 387587606 /nfs/dbraw/zinc/58/76/06/387587606.db2.gz MTHRQHNKRNUFBN-UHFFFAOYSA-N 0 1 225.719 3.523 20 0 BHADMN C/C=C\CNCc1ccc(Cl)cc1Cl ZINC000379604253 343582215 /nfs/dbraw/zinc/58/22/15/343582215.db2.gz OYCLHEITNPEWCU-IHWYPQMZSA-N 0 1 230.138 3.659 20 0 BHADMN C/C=C/CNCc1ccc(Cl)cc1Cl ZINC000379604254 343582238 /nfs/dbraw/zinc/58/22/38/343582238.db2.gz OYCLHEITNPEWCU-NSCUHMNNSA-N 0 1 230.138 3.659 20 0 BHADMN CCCC[C@@H](CC)NC(C)(C)C(F)F ZINC000379609470 538107940 /nfs/dbraw/zinc/10/79/40/538107940.db2.gz SEIRTFOQDBEHQX-SECBINFHSA-N 0 1 207.308 3.589 20 0 BHADMN CCCC[C@H](CC)NC(C)(C)C(F)F ZINC000379609471 538107950 /nfs/dbraw/zinc/10/79/50/538107950.db2.gz SEIRTFOQDBEHQX-VIFPVBQESA-N 0 1 207.308 3.589 20 0 BHADMN CCCNC1(c2c(Cl)cccc2Cl)CC1 ZINC000379965622 365767517 /nfs/dbraw/zinc/76/75/17/365767517.db2.gz YSKZWTXKDBQEPQ-UHFFFAOYSA-N 0 1 244.165 3.982 20 0 BHADMN CCC[C@@H](C)[C@@H](CC)NC1(C(F)F)CC1 ZINC000380001362 365792253 /nfs/dbraw/zinc/79/22/53/365792253.db2.gz MYRDRIWSJAGAPI-NXEZZACHSA-N 0 1 219.319 3.589 20 0 BHADMN CCC[C@H](C)[C@H](CC)NC1(C(F)F)CC1 ZINC000380001366 365792591 /nfs/dbraw/zinc/79/25/91/365792591.db2.gz MYRDRIWSJAGAPI-UWVGGRQHSA-N 0 1 219.319 3.589 20 0 BHADMN CCC[C@H](C)[C@@H](CC)NC1(C(F)F)CC1 ZINC000380001371 365792391 /nfs/dbraw/zinc/79/23/91/365792391.db2.gz MYRDRIWSJAGAPI-VHSXEESVSA-N 0 1 219.319 3.589 20 0 BHADMN CCC[C@@H](C)[C@H](CC)NC1(C(F)F)CC1 ZINC000380001372 365792376 /nfs/dbraw/zinc/79/23/76/365792376.db2.gz MYRDRIWSJAGAPI-ZJUUUORDSA-N 0 1 219.319 3.589 20 0 BHADMN CC(C)CCNC1(C(F)F)CCCCC1 ZINC000380067236 365839413 /nfs/dbraw/zinc/83/94/13/365839413.db2.gz CHIHNOLKLKPSGN-UHFFFAOYSA-N 0 1 219.319 3.590 20 0 BHADMN CC(C)(N[C@@H]1CCCC(C)(C)C1)C(F)F ZINC000380118183 538985607 /nfs/dbraw/zinc/98/56/07/538985607.db2.gz PUZSHKXTVRWCNH-SECBINFHSA-N 0 1 219.319 3.589 20 0 BHADMN CC(C)(N[C@H]1CCCC(C)(C)C1)C(F)F ZINC000380118186 538985490 /nfs/dbraw/zinc/98/54/90/538985490.db2.gz PUZSHKXTVRWCNH-VIFPVBQESA-N 0 1 219.319 3.589 20 0 BHADMN CC(C)(NCCC1CCCCC1)C(F)F ZINC000380153553 538986554 /nfs/dbraw/zinc/98/65/54/538986554.db2.gz YIJWYRQQBMDJMB-UHFFFAOYSA-N 0 1 219.319 3.590 20 0 BHADMN CC(C)(C)CCCNCc1ncc(Cl)s1 ZINC000380158728 350617789 /nfs/dbraw/zinc/61/77/89/350617789.db2.gz ZZPMMYSCEWNBEQ-UHFFFAOYSA-N 0 1 246.807 3.712 20 0 BHADMN CC(C)(NCC1CCCCCC1)C(F)F ZINC000380158730 538986597 /nfs/dbraw/zinc/98/65/97/538986597.db2.gz ZZSWNERQQUYDMZ-UHFFFAOYSA-N 0 1 219.319 3.590 20 0 BHADMN CC(C)CC[C@H](NCC(F)F)C(C)(C)C ZINC000380162240 541460478 /nfs/dbraw/zinc/46/04/78/541460478.db2.gz BPZVFPUTNDOIOY-JTQLQIEISA-N 0 1 221.335 3.692 20 0 BHADMN CC(C)CC[C@@H](NCC(F)F)C(C)(C)C ZINC000380162242 541460451 /nfs/dbraw/zinc/46/04/51/541460451.db2.gz BPZVFPUTNDOIOY-SNVBAGLBSA-N 0 1 221.335 3.692 20 0 BHADMN CC(C)(C)CCNC1(C(F)F)CCCC1 ZINC000380227702 538115641 /nfs/dbraw/zinc/11/56/41/538115641.db2.gz KPULYGABVHTKHE-UHFFFAOYSA-N 0 1 219.319 3.590 20 0 BHADMN CCCC[C@@H](CC)N[C@@H]1CCCC1(F)F ZINC000380316764 538989066 /nfs/dbraw/zinc/98/90/66/538989066.db2.gz JDEPPERJKQDXRO-GHMZBOCLSA-N 0 1 219.319 3.733 20 0 BHADMN CCCC[C@@H](CC)N[C@H]1CCCC1(F)F ZINC000380316767 538989263 /nfs/dbraw/zinc/98/92/63/538989263.db2.gz JDEPPERJKQDXRO-MNOVXSKESA-N 0 1 219.319 3.733 20 0 BHADMN CCCC[C@H](CC)N[C@H]1CCCC1(F)F ZINC000380316770 538989356 /nfs/dbraw/zinc/98/93/56/538989356.db2.gz JDEPPERJKQDXRO-QWRGUYRKSA-N 0 1 219.319 3.733 20 0 BHADMN CCCC[C@H](CC)N[C@@H]1CCCC1(F)F ZINC000380316771 538989384 /nfs/dbraw/zinc/98/93/84/538989384.db2.gz JDEPPERJKQDXRO-WDEREUQCSA-N 0 1 219.319 3.733 20 0 BHADMN CCCC[C@@H](C)[C@@H](C)NC1(C(F)F)CC1 ZINC000380330446 367182512 /nfs/dbraw/zinc/18/25/12/367182512.db2.gz NXIMGQRADSNVJF-NXEZZACHSA-N 0 1 219.319 3.589 20 0 BHADMN CCCC[C@H](C)[C@H](C)NC1(C(F)F)CC1 ZINC000380330447 367182667 /nfs/dbraw/zinc/18/26/67/367182667.db2.gz NXIMGQRADSNVJF-UWVGGRQHSA-N 0 1 219.319 3.589 20 0 BHADMN CCCC[C@H](C)[C@@H](C)NC1(C(F)F)CC1 ZINC000380330448 367182574 /nfs/dbraw/zinc/18/25/74/367182574.db2.gz NXIMGQRADSNVJF-VHSXEESVSA-N 0 1 219.319 3.589 20 0 BHADMN CCCC[C@@H](C)[C@H](C)NC1(C(F)F)CC1 ZINC000380330449 367182978 /nfs/dbraw/zinc/18/29/78/367182978.db2.gz NXIMGQRADSNVJF-ZJUUUORDSA-N 0 1 219.319 3.589 20 0 BHADMN CCCCCNC1(C(F)F)CCCCC1 ZINC000380359490 360619014 /nfs/dbraw/zinc/61/90/14/360619014.db2.gz XQTWHFQVVLUEEJ-UHFFFAOYSA-N 0 1 219.319 3.734 20 0 BHADMN CCC[C@@H](NCC(F)F)C1CCCCC1 ZINC000380361570 538989631 /nfs/dbraw/zinc/98/96/31/538989631.db2.gz YTDVOBHULGBKEU-LLVKDONJSA-N 0 1 219.319 3.590 20 0 BHADMN CCC[C@H](NCC(F)F)C1CCCCC1 ZINC000380361572 538990013 /nfs/dbraw/zinc/99/00/13/538990013.db2.gz YTDVOBHULGBKEU-NSHDSACASA-N 0 1 219.319 3.590 20 0 BHADMN CC(C)=CCC[C@@H](C)N[C@H]1CCCC1(F)F ZINC000381034894 538994785 /nfs/dbraw/zinc/99/47/85/538994785.db2.gz BBCOHPHGWYTSSM-NEPJUHHUSA-N 0 1 231.330 3.899 20 0 BHADMN CC(C)=CCC[C@H](C)N[C@@H]1CCCC1(F)F ZINC000381034896 538994290 /nfs/dbraw/zinc/99/42/90/538994290.db2.gz BBCOHPHGWYTSSM-NWDGAFQWSA-N 0 1 231.330 3.899 20 0 BHADMN CC(C)=CCC[C@H](C)N[C@H]1CCCC1(F)F ZINC000381034898 538994728 /nfs/dbraw/zinc/99/47/28/538994728.db2.gz BBCOHPHGWYTSSM-RYUDHWBXSA-N 0 1 231.330 3.899 20 0 BHADMN CC(C)=CCC[C@@H](C)N[C@@H]1CCCC1(F)F ZINC000381034905 538994486 /nfs/dbraw/zinc/99/44/86/538994486.db2.gz BBCOHPHGWYTSSM-VXGBXAGGSA-N 0 1 231.330 3.899 20 0 BHADMN CC(C)C[C@H](NC/C=C/Cl)c1ccccn1 ZINC000381046075 710600155 /nfs/dbraw/zinc/60/01/55/710600155.db2.gz FQMOUGOHHZUFCX-IYNGYCSASA-N 0 1 238.762 3.511 20 0 BHADMN CC(C)C[C@@H](NC/C=C\Cl)c1ccccn1 ZINC000381046079 710600057 /nfs/dbraw/zinc/60/00/57/710600057.db2.gz FQMOUGOHHZUFCX-SCXUMTSISA-N 0 1 238.762 3.511 20 0 BHADMN CC(C)C[C@H](NC/C=C\Cl)c1ccccn1 ZINC000381046081 710600177 /nfs/dbraw/zinc/60/01/77/710600177.db2.gz FQMOUGOHHZUFCX-VGVVRCBHSA-N 0 1 238.762 3.511 20 0 BHADMN CC(C)C[C@@H](NC/C=C/Cl)c1ccccn1 ZINC000381046088 710599627 /nfs/dbraw/zinc/59/96/27/710599627.db2.gz FQMOUGOHHZUFCX-VUDGCMKMSA-N 0 1 238.762 3.511 20 0 BHADMN CC(C)c1nc(CN[C@@H]2CCC2(C)C)cs1 ZINC000381118686 367353079 /nfs/dbraw/zinc/35/30/79/367353079.db2.gz HZGODUIHRDVPBM-LLVKDONJSA-N 0 1 238.400 3.545 20 0 BHADMN CC(C)c1nc(CN[C@H]2CCC2(C)C)cs1 ZINC000381118698 367353141 /nfs/dbraw/zinc/35/31/41/367353141.db2.gz HZGODUIHRDVPBM-NSHDSACASA-N 0 1 238.400 3.545 20 0 BHADMN CC(C)C1CCC(NC(C)(C)C(F)F)CC1 ZINC000381139911 538995352 /nfs/dbraw/zinc/99/53/52/538995352.db2.gz MIZPNGGEPCJKGU-UHFFFAOYSA-N 0 1 233.346 3.835 20 0 BHADMN CC(C)[C@@H]1CCC[C@@H](NC(C)(C)C(F)F)C1 ZINC000381177295 538995575 /nfs/dbraw/zinc/99/55/75/538995575.db2.gz VKRBNQUXIUJJTL-GHMZBOCLSA-N 0 1 233.346 3.835 20 0 BHADMN CC(C)[C@@H]1CCC[C@H](NC(C)(C)C(F)F)C1 ZINC000381177297 538995464 /nfs/dbraw/zinc/99/54/64/538995464.db2.gz VKRBNQUXIUJJTL-MNOVXSKESA-N 0 1 233.346 3.835 20 0 BHADMN CC(C)[C@H]1CCC[C@H](NC(C)(C)C(F)F)C1 ZINC000381177300 538995713 /nfs/dbraw/zinc/99/57/13/538995713.db2.gz VKRBNQUXIUJJTL-QWRGUYRKSA-N 0 1 233.346 3.835 20 0 BHADMN CC(C)[C@H]1CCC[C@@H](NC(C)(C)C(F)F)C1 ZINC000381177302 538995568 /nfs/dbraw/zinc/99/55/68/538995568.db2.gz VKRBNQUXIUJJTL-WDEREUQCSA-N 0 1 233.346 3.835 20 0 BHADMN C[C@H](CCC(C)(C)C)N[C@@H]1CCCC1(F)F ZINC000381192899 541461181 /nfs/dbraw/zinc/46/11/81/541461181.db2.gz ZFMKGWYAXKBUBE-GHMZBOCLSA-N 0 1 233.346 3.979 20 0 BHADMN C[C@H](CCC(C)(C)C)N[C@H]1CCCC1(F)F ZINC000381192900 541461099 /nfs/dbraw/zinc/46/10/99/541461099.db2.gz ZFMKGWYAXKBUBE-MNOVXSKESA-N 0 1 233.346 3.979 20 0 BHADMN C[C@@H](CCC(C)(C)C)N[C@H]1CCCC1(F)F ZINC000381192902 541460997 /nfs/dbraw/zinc/46/09/97/541460997.db2.gz ZFMKGWYAXKBUBE-QWRGUYRKSA-N 0 1 233.346 3.979 20 0 BHADMN C[C@@H](CCC(C)(C)C)N[C@@H]1CCCC1(F)F ZINC000381192903 541461073 /nfs/dbraw/zinc/46/10/73/541461073.db2.gz ZFMKGWYAXKBUBE-WDEREUQCSA-N 0 1 233.346 3.979 20 0 BHADMN C[C@@H]1CC(C)(C)CC[C@H]1NC1(C(F)F)CC1 ZINC000381218191 367366808 /nfs/dbraw/zinc/36/68/08/367366808.db2.gz IJIZLDCQRWFAFU-NXEZZACHSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@H]1CC(C)(C)CC[C@@H]1NC1(C(F)F)CC1 ZINC000381218194 367366582 /nfs/dbraw/zinc/36/65/82/367366582.db2.gz IJIZLDCQRWFAFU-UWVGGRQHSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@H]1CC(C)(C)CC[C@H]1NC1(C(F)F)CC1 ZINC000381218198 367366883 /nfs/dbraw/zinc/36/68/83/367366883.db2.gz IJIZLDCQRWFAFU-VHSXEESVSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@@H]1CC(C)(C)CC[C@@H]1NC1(C(F)F)CC1 ZINC000381218201 367365966 /nfs/dbraw/zinc/36/59/66/367365966.db2.gz IJIZLDCQRWFAFU-ZJUUUORDSA-N 0 1 231.330 3.589 20 0 BHADMN Cc1ccc(CN[C@@H]2C[C@@H](C)c3ccccc32)o1 ZINC000381271811 344490585 /nfs/dbraw/zinc/49/05/85/344490585.db2.gz RWEXHCOWRGRRJA-BDJLRTHQSA-N 0 1 241.334 3.926 20 0 BHADMN Cc1ccc(CN[C@H]2C[C@@H](C)c3ccccc32)o1 ZINC000381271812 344490459 /nfs/dbraw/zinc/49/04/59/344490459.db2.gz RWEXHCOWRGRRJA-BZNIZROVSA-N 0 1 241.334 3.926 20 0 BHADMN Cc1ccc(CN[C@@H]2C[C@H](C)c3ccccc32)o1 ZINC000381271813 344490131 /nfs/dbraw/zinc/49/01/31/344490131.db2.gz RWEXHCOWRGRRJA-MEDUHNTESA-N 0 1 241.334 3.926 20 0 BHADMN Cc1ccc(CN[C@H]2C[C@H](C)c3ccccc32)o1 ZINC000381271815 344490590 /nfs/dbraw/zinc/49/05/90/344490590.db2.gz RWEXHCOWRGRRJA-ZBEGNZNMSA-N 0 1 241.334 3.926 20 0 BHADMN CCCC[C@@H](C)N(C)Cc1cccnc1Cl ZINC000381275801 710616141 /nfs/dbraw/zinc/61/61/41/710616141.db2.gz WXANODWADZSYFO-LLVKDONJSA-N 0 1 240.778 3.746 20 0 BHADMN CCCC[C@H](C)N(C)Cc1cccnc1Cl ZINC000381275805 710616316 /nfs/dbraw/zinc/61/63/16/710616316.db2.gz WXANODWADZSYFO-NSHDSACASA-N 0 1 240.778 3.746 20 0 BHADMN Cc1ccc(CN[C@H](C)c2csc(C)c2)o1 ZINC000381332927 398252444 /nfs/dbraw/zinc/25/24/44/398252444.db2.gz BZGCOSFMYZDUDK-LLVKDONJSA-N 0 1 235.352 3.809 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2csc(C)c2)o1 ZINC000381332928 398252529 /nfs/dbraw/zinc/25/25/29/398252529.db2.gz BZGCOSFMYZDUDK-NSHDSACASA-N 0 1 235.352 3.809 20 0 BHADMN Cc1cc([C@@H](C)NCc2occc2C)cs1 ZINC000381349452 367385816 /nfs/dbraw/zinc/38/58/16/367385816.db2.gz HOSCDIJZVRFDHM-LLVKDONJSA-N 0 1 235.352 3.809 20 0 BHADMN Cc1cc([C@H](C)NCc2occc2C)cs1 ZINC000381349453 367385733 /nfs/dbraw/zinc/38/57/33/367385733.db2.gz HOSCDIJZVRFDHM-NSHDSACASA-N 0 1 235.352 3.809 20 0 BHADMN CC(C)c1nc([C@H](C)NC2CC=CC2)cs1 ZINC000381355515 538998744 /nfs/dbraw/zinc/99/87/44/538998744.db2.gz CQYMUZOSTGKCEJ-JTQLQIEISA-N 0 1 236.384 3.636 20 0 BHADMN CC(C)c1nc([C@@H](C)NC2CC=CC2)cs1 ZINC000381355516 538998732 /nfs/dbraw/zinc/99/87/32/538998732.db2.gz CQYMUZOSTGKCEJ-SNVBAGLBSA-N 0 1 236.384 3.636 20 0 BHADMN CC[C@@H](F)CNC1(c2ccc(Cl)cc2)CC1 ZINC000381359360 345492087 /nfs/dbraw/zinc/49/20/87/345492087.db2.gz FFXSEUVLGZDHBM-GFCCVEGCSA-N 0 1 241.737 3.667 20 0 BHADMN CC[C@H](F)CNC1(c2ccc(Cl)cc2)CC1 ZINC000381359361 345491985 /nfs/dbraw/zinc/49/19/85/345491985.db2.gz FFXSEUVLGZDHBM-LBPRGKRZSA-N 0 1 241.737 3.667 20 0 BHADMN CC[C@H](F)CN[C@@H](C)c1ccccc1SC ZINC000381364758 367389059 /nfs/dbraw/zinc/38/90/59/367389059.db2.gz GNCNMGUSBILNTJ-QWRGUYRKSA-N 0 1 241.375 3.807 20 0 BHADMN CC[C@@H](F)CN[C@@H](C)c1ccccc1SC ZINC000381364764 345542628 /nfs/dbraw/zinc/54/26/28/345542628.db2.gz GNCNMGUSBILNTJ-WDEREUQCSA-N 0 1 241.375 3.807 20 0 BHADMN Cc1cc([C@@H](C)NCc2cccc(C)n2)cs1 ZINC000381370283 345582945 /nfs/dbraw/zinc/58/29/45/345582945.db2.gz MKOOVMBPSZAUET-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1cc([C@H](C)NCc2cccc(C)n2)cs1 ZINC000381370285 367389384 /nfs/dbraw/zinc/38/93/84/367389384.db2.gz MKOOVMBPSZAUET-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN CC[C@@H](NC1(C(F)F)CC1)C1CCCCC1 ZINC000381381137 345764014 /nfs/dbraw/zinc/76/40/14/345764014.db2.gz LGLXIKFNCHUYIZ-LLVKDONJSA-N 0 1 231.330 3.733 20 0 BHADMN CC[C@H](NC1(C(F)F)CC1)C1CCCCC1 ZINC000381381138 345764269 /nfs/dbraw/zinc/76/42/69/345764269.db2.gz LGLXIKFNCHUYIZ-NSHDSACASA-N 0 1 231.330 3.733 20 0 BHADMN CC(C)(NCC1CCC(C)(C)CC1)C(F)F ZINC000381410624 539000171 /nfs/dbraw/zinc/00/01/71/539000171.db2.gz SPJYRMRIMPQIRE-UHFFFAOYSA-N 0 1 233.346 3.836 20 0 BHADMN Cc1cc(CNCc2ccoc2C)c(C)s1 ZINC000381414407 539000297 /nfs/dbraw/zinc/00/02/97/539000297.db2.gz VOVVIHXCNJYXBD-UHFFFAOYSA-N 0 1 235.352 3.556 20 0 BHADMN CC[C@@H](F)CNC1(c2cccc(Cl)c2)CC1 ZINC000381425892 357050272 /nfs/dbraw/zinc/05/02/72/357050272.db2.gz YSHHNUBFPYFHJS-GFCCVEGCSA-N 0 1 241.737 3.667 20 0 BHADMN CC[C@H](F)CNC1(c2cccc(Cl)c2)CC1 ZINC000381425893 367400021 /nfs/dbraw/zinc/40/00/21/367400021.db2.gz YSHHNUBFPYFHJS-LBPRGKRZSA-N 0 1 241.737 3.667 20 0 BHADMN C[C@@H]1CCCC[C@H]1CN[C@@H]1CCCC1(F)F ZINC000381468889 539001793 /nfs/dbraw/zinc/00/17/93/539001793.db2.gz NMYQKFBXWNRORE-GRYCIOLGSA-N 0 1 231.330 3.590 20 0 BHADMN C[C@@H]1CCCC[C@@H]1CN[C@@H]1CCCC1(F)F ZINC000381468890 539001684 /nfs/dbraw/zinc/00/16/84/539001684.db2.gz NMYQKFBXWNRORE-IJLUTSLNSA-N 0 1 231.330 3.590 20 0 BHADMN C[C@@H]1CCCC[C@@H]1CN[C@H]1CCCC1(F)F ZINC000381468891 539001812 /nfs/dbraw/zinc/00/18/12/539001812.db2.gz NMYQKFBXWNRORE-UTUOFQBUSA-N 0 1 231.330 3.590 20 0 BHADMN C[C@@H]1CCCC[C@H]1CN[C@H]1CCCC1(F)F ZINC000381468892 539001515 /nfs/dbraw/zinc/00/15/15/539001515.db2.gz NMYQKFBXWNRORE-WOPDTQHZSA-N 0 1 231.330 3.590 20 0 BHADMN C[C@H](NC(C)(C)C(F)F)C1CCCCCC1 ZINC000381471236 539001522 /nfs/dbraw/zinc/00/15/22/539001522.db2.gz OOJXXVXPZDGALO-JTQLQIEISA-N 0 1 233.346 3.979 20 0 BHADMN C[C@@H](NC(C)(C)C(F)F)C1CCCCCC1 ZINC000381471238 539001666 /nfs/dbraw/zinc/00/16/66/539001666.db2.gz OOJXXVXPZDGALO-SNVBAGLBSA-N 0 1 233.346 3.979 20 0 BHADMN CC(C)(NC/C=C\Cl)c1ccc(F)c(F)c1 ZINC000381525720 710651486 /nfs/dbraw/zinc/65/14/86/710651486.db2.gz WMRFVUTYOOINCO-UTCJRWHESA-N 0 1 245.700 3.542 20 0 BHADMN Cc1cc(-c2nc3ccc(C)cc3[nH]2)cs1 ZINC000381590924 346394953 /nfs/dbraw/zinc/39/49/53/346394953.db2.gz GNFOTEHXUOXHGA-UHFFFAOYSA-N 0 1 228.320 3.908 20 0 BHADMN CC[C@@H](NC/C=C\Cl)c1ccc(F)cc1F ZINC000381602271 710661200 /nfs/dbraw/zinc/66/12/00/710661200.db2.gz OKSRINFDXIMTHA-GCLPIYDQSA-N 0 1 245.700 3.758 20 0 BHADMN CC[C@H](NC/C=C\Cl)c1ccc(F)cc1F ZINC000381602273 710660565 /nfs/dbraw/zinc/66/05/65/710660565.db2.gz OKSRINFDXIMTHA-RYBZSIHZSA-N 0 1 245.700 3.758 20 0 BHADMN Cc1cc(-c2nc3cccc(C)c3[nH]2)cs1 ZINC000381613402 367438922 /nfs/dbraw/zinc/43/89/22/367438922.db2.gz VWOASDLFJCOPTI-UHFFFAOYSA-N 0 1 228.320 3.908 20 0 BHADMN C[C@H](N[C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000381661491 539005655 /nfs/dbraw/zinc/00/56/55/539005655.db2.gz GDMUKURFNKTGMK-CMPLNLGQSA-N 0 1 231.330 3.733 20 0 BHADMN C[C@H](N[C@H]1CCCC1(F)F)C1CCCCC1 ZINC000381661493 539005958 /nfs/dbraw/zinc/00/59/58/539005958.db2.gz GDMUKURFNKTGMK-JQWIXIFHSA-N 0 1 231.330 3.733 20 0 BHADMN C[C@@H](N[C@H]1CCCC1(F)F)C1CCCCC1 ZINC000381661496 539005629 /nfs/dbraw/zinc/00/56/29/539005629.db2.gz GDMUKURFNKTGMK-PWSUYJOCSA-N 0 1 231.330 3.733 20 0 BHADMN C[C@@H](N[C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000381661497 539005616 /nfs/dbraw/zinc/00/56/16/539005616.db2.gz GDMUKURFNKTGMK-ZYHUDNBSSA-N 0 1 231.330 3.733 20 0 BHADMN CC[C@H](C)C[N@H+](C)Cc1cccc([O-])c1Cl ZINC000381977644 367475546 /nfs/dbraw/zinc/47/55/46/367475546.db2.gz APDWYEMBZQDYAZ-JTQLQIEISA-N 0 1 241.762 3.524 20 0 BHADMN CC[C@H](C)C[N@@H+](C)Cc1cccc(O)c1Cl ZINC000381977644 367475541 /nfs/dbraw/zinc/47/55/41/367475541.db2.gz APDWYEMBZQDYAZ-JTQLQIEISA-N 0 1 241.762 3.524 20 0 BHADMN CC[C@@H](C)C[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000381977647 347006674 /nfs/dbraw/zinc/00/66/74/347006674.db2.gz APDWYEMBZQDYAZ-SNVBAGLBSA-N 0 1 241.762 3.524 20 0 BHADMN CC[C@@H](C)C[N@H+](C)Cc1cccc([O-])c1Cl ZINC000381977647 347006671 /nfs/dbraw/zinc/00/66/71/347006671.db2.gz APDWYEMBZQDYAZ-SNVBAGLBSA-N 0 1 241.762 3.524 20 0 BHADMN C[C@@H](NC1CC(C(C)(C)C)C1)c1cscn1 ZINC000382047816 357341839 /nfs/dbraw/zinc/34/18/39/357341839.db2.gz CLLUDTCSZQDMFZ-KPPDAEKUSA-N 0 1 238.400 3.618 20 0 BHADMN C[C@H](NC1CC(C(C)(C)C)C1)c1cscn1 ZINC000382047824 347104787 /nfs/dbraw/zinc/10/47/87/347104787.db2.gz CLLUDTCSZQDMFZ-WHXUTIOJSA-N 0 1 238.400 3.618 20 0 BHADMN CC[C@H](NCc1cccc(C)n1)c1ccsc1 ZINC000382061400 367482688 /nfs/dbraw/zinc/48/26/88/367482688.db2.gz ARQNKSGCVJFLGK-AWEZNQCLSA-N 0 1 246.379 3.692 20 0 BHADMN CC[C@@H](NCc1cccc(C)n1)c1ccsc1 ZINC000382061404 367482516 /nfs/dbraw/zinc/48/25/16/367482516.db2.gz ARQNKSGCVJFLGK-CQSZACIVSA-N 0 1 246.379 3.692 20 0 BHADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(Cl)s1 ZINC000382100777 347171303 /nfs/dbraw/zinc/17/13/03/347171303.db2.gz GPRYMUBOPNSNTF-HLTSFMKQSA-N 0 1 247.766 3.943 20 0 BHADMN C[C@H](N[C@H]1CCC[C@H]1F)c1ccc(Cl)s1 ZINC000382100778 357354126 /nfs/dbraw/zinc/35/41/26/357354126.db2.gz GPRYMUBOPNSNTF-YIZRAAEISA-N 0 1 247.766 3.943 20 0 BHADMN CCCC1CCC(NCC(C)(F)F)CC1 ZINC000382112611 367486762 /nfs/dbraw/zinc/48/67/62/367486762.db2.gz LBDGVYUMTYNAMX-UHFFFAOYSA-N 0 1 219.319 3.590 20 0 BHADMN Cc1sccc1CNCc1ccc(Cl)o1 ZINC000382115741 398305764 /nfs/dbraw/zinc/30/57/64/398305764.db2.gz MCQZOWRXWVWWHZ-UHFFFAOYSA-N 0 1 241.743 3.593 20 0 BHADMN CC(F)(F)CN[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000382142822 710800081 /nfs/dbraw/zinc/80/00/81/710800081.db2.gz NBAFGZMYGASZPD-GRYCIOLGSA-N 0 1 231.330 3.590 20 0 BHADMN CC(F)(F)CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000382142824 710799334 /nfs/dbraw/zinc/79/93/34/710799334.db2.gz NBAFGZMYGASZPD-IJLUTSLNSA-N 0 1 231.330 3.590 20 0 BHADMN CC(F)(F)CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000382142825 710799794 /nfs/dbraw/zinc/79/97/94/710799794.db2.gz NBAFGZMYGASZPD-QJPTWQEYSA-N 0 1 231.330 3.590 20 0 BHADMN CC(F)(F)CN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000382142827 710800017 /nfs/dbraw/zinc/80/00/17/710800017.db2.gz NBAFGZMYGASZPD-SDDRHHMPSA-N 0 1 231.330 3.590 20 0 BHADMN C[C@H](NCC(C)(F)F)C1CCCCCC1 ZINC000382151756 367490429 /nfs/dbraw/zinc/49/04/29/367490429.db2.gz PTKARAUITLNISW-JTQLQIEISA-N 0 1 219.319 3.590 20 0 BHADMN C[C@@H](NCC(C)(F)F)C1CCCCCC1 ZINC000382151757 367490456 /nfs/dbraw/zinc/49/04/56/367490456.db2.gz PTKARAUITLNISW-SNVBAGLBSA-N 0 1 219.319 3.590 20 0 BHADMN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1csc(Cl)c1 ZINC000382185902 367496205 /nfs/dbraw/zinc/49/62/05/367496205.db2.gz BAMGRHNQKGLAEH-FKTZTGRPSA-N 0 1 247.766 3.943 20 0 BHADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1csc(Cl)c1 ZINC000382185903 367496500 /nfs/dbraw/zinc/49/65/00/367496500.db2.gz BAMGRHNQKGLAEH-QNSHHTMESA-N 0 1 247.766 3.943 20 0 BHADMN C[C@H](N[C@H]1CCC[C@H]1F)c1csc(Cl)c1 ZINC000382185904 367496016 /nfs/dbraw/zinc/49/60/16/367496016.db2.gz BAMGRHNQKGLAEH-SFGNSQDASA-N 0 1 247.766 3.943 20 0 BHADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1csc(Cl)c1 ZINC000382185905 367495874 /nfs/dbraw/zinc/49/58/74/367495874.db2.gz BAMGRHNQKGLAEH-UJNFCWOMSA-N 0 1 247.766 3.943 20 0 BHADMN CCC[N@@H+](Cc1cccc([O-])c1Cl)C(C)C ZINC000382187922 487532738 /nfs/dbraw/zinc/53/27/38/487532738.db2.gz HGLMCOCGFMOHGV-UHFFFAOYSA-N 0 1 241.762 3.666 20 0 BHADMN CCC[N@H+](Cc1cccc([O-])c1Cl)C(C)C ZINC000382187922 487532736 /nfs/dbraw/zinc/53/27/36/487532736.db2.gz HGLMCOCGFMOHGV-UHFFFAOYSA-N 0 1 241.762 3.666 20 0 BHADMN CC(F)(F)CNC1CCC(C(C)(C)C)CC1 ZINC000382303329 367505754 /nfs/dbraw/zinc/50/57/54/367505754.db2.gz NZRFUMKZWASHJA-UHFFFAOYSA-N 0 1 233.346 3.836 20 0 BHADMN CC(C)[C@H](C)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000382311160 397881357 /nfs/dbraw/zinc/88/13/57/397881357.db2.gz QDDAMTSOOOWFBU-JTQLQIEISA-N 0 1 241.762 3.522 20 0 BHADMN CC(C)[C@H](C)[N@H+](C)Cc1cccc([O-])c1Cl ZINC000382311160 397881355 /nfs/dbraw/zinc/88/13/55/397881355.db2.gz QDDAMTSOOOWFBU-JTQLQIEISA-N 0 1 241.762 3.522 20 0 BHADMN CC(C)[C@@H](C)[N@@H+](C)Cc1cccc([O-])c1Cl ZINC000382311161 397881412 /nfs/dbraw/zinc/88/14/12/397881412.db2.gz QDDAMTSOOOWFBU-SNVBAGLBSA-N 0 1 241.762 3.522 20 0 BHADMN CC(C)[C@@H](C)[N@H+](C)Cc1cccc([O-])c1Cl ZINC000382311161 397881409 /nfs/dbraw/zinc/88/14/09/397881409.db2.gz QDDAMTSOOOWFBU-SNVBAGLBSA-N 0 1 241.762 3.522 20 0 BHADMN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1Cl ZINC000382317004 347273545 /nfs/dbraw/zinc/27/35/45/347273545.db2.gz RVUITFVQVNGIAZ-ARENWVFISA-N 0 1 245.700 3.644 20 0 BHADMN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1Cl ZINC000382317005 347273128 /nfs/dbraw/zinc/27/31/28/347273128.db2.gz RVUITFVQVNGIAZ-HDBBIHSSSA-N 0 1 245.700 3.644 20 0 BHADMN CCCCCC[C@H](C)NCC(C)(F)F ZINC000382324261 711666122 /nfs/dbraw/zinc/66/61/22/711666122.db2.gz UUFKKGJNHLVAGM-JTQLQIEISA-N 0 1 207.308 3.590 20 0 BHADMN CCCCCC[C@@H](C)NCC(C)(F)F ZINC000382324618 711666143 /nfs/dbraw/zinc/66/61/43/711666143.db2.gz UUFKKGJNHLVAGM-SNVBAGLBSA-N 0 1 207.308 3.590 20 0 BHADMN FCCN[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000382355555 367511121 /nfs/dbraw/zinc/51/11/21/367511121.db2.gz HISLDLDQBDCGHE-JTQLQIEISA-N 0 1 248.128 3.540 20 0 BHADMN FCCN[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000382355562 367511072 /nfs/dbraw/zinc/51/10/72/367511072.db2.gz HISLDLDQBDCGHE-SNVBAGLBSA-N 0 1 248.128 3.540 20 0 BHADMN C[C@H](CCC(C)(C)C)NC(C)(C)C(F)F ZINC000382357634 585037132 /nfs/dbraw/zinc/03/71/32/585037132.db2.gz KGTYBDJZLHHLIO-SECBINFHSA-N 0 1 221.335 3.835 20 0 BHADMN C[C@@H](CCC(C)(C)C)NC(C)(C)C(F)F ZINC000382357635 585037141 /nfs/dbraw/zinc/03/71/41/585037141.db2.gz KGTYBDJZLHHLIO-VIFPVBQESA-N 0 1 221.335 3.835 20 0 BHADMN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc(Cl)s1 ZINC000382371671 367512498 /nfs/dbraw/zinc/51/24/98/367512498.db2.gz GPRYMUBOPNSNTF-HRDYMLBCSA-N 0 1 247.766 3.943 20 0 BHADMN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc(Cl)s1 ZINC000382371674 367512038 /nfs/dbraw/zinc/51/20/38/367512038.db2.gz GPRYMUBOPNSNTF-XHNCKOQMSA-N 0 1 247.766 3.943 20 0 BHADMN CC(F)(F)CNCC1(C)CCCCCC1 ZINC000382398273 350510749 /nfs/dbraw/zinc/51/07/49/350510749.db2.gz OXEJZNHKOCAHKY-UHFFFAOYSA-N 0 1 219.319 3.592 20 0 BHADMN CC(F)(F)CN[C@@H]1CCCCC12CCCC2 ZINC000382406067 367516373 /nfs/dbraw/zinc/51/63/73/367516373.db2.gz SAIPGIVOZAKKNT-LLVKDONJSA-N 0 1 231.330 3.734 20 0 BHADMN CC(F)(F)CN[C@H]1CCCCC12CCCC2 ZINC000382406081 367516697 /nfs/dbraw/zinc/51/66/97/367516697.db2.gz SAIPGIVOZAKKNT-NSHDSACASA-N 0 1 231.330 3.734 20 0 BHADMN Cc1ccc([C@@H](C)NCc2cc(C)ccn2)s1 ZINC000383217714 711476389 /nfs/dbraw/zinc/47/63/89/711476389.db2.gz YQGFWHIPXJMYEY-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc([C@H](C)NCc2cc(C)ccn2)s1 ZINC000383217749 711476475 /nfs/dbraw/zinc/47/64/75/711476475.db2.gz YQGFWHIPXJMYEY-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1cccc(CNCc2cccc(C)c2F)c1 ZINC000384407309 367690141 /nfs/dbraw/zinc/69/01/41/367690141.db2.gz DNQLSMDWVXBMER-UHFFFAOYSA-N 0 1 243.325 3.732 20 0 BHADMN Cc1csc(CNCc2cccc(C)c2F)c1 ZINC000384496083 367694160 /nfs/dbraw/zinc/69/41/60/367694160.db2.gz NPHAKEDZLICULX-UHFFFAOYSA-N 0 1 249.354 3.794 20 0 BHADMN CC/C=C\CN[C@@H](C)c1cc(F)ccc1F ZINC000385116610 344902083 /nfs/dbraw/zinc/90/20/83/344902083.db2.gz DWYFUVMZUFOYJI-LWTINBJPSA-N 0 1 225.282 3.582 20 0 BHADMN CC/C=C/CN[C@H](C)c1cc(F)ccc1F ZINC000385116611 367795176 /nfs/dbraw/zinc/79/51/76/367795176.db2.gz DWYFUVMZUFOYJI-ORAHPGNNSA-N 0 1 225.282 3.582 20 0 BHADMN CC/C=C\CN[C@H](C)c1cc(F)ccc1F ZINC000385116613 367795974 /nfs/dbraw/zinc/79/59/74/367795974.db2.gz DWYFUVMZUFOYJI-UMCURTJPSA-N 0 1 225.282 3.582 20 0 BHADMN CC/C=C/CN[C@@H](C)c1cc(F)ccc1F ZINC000385116614 367795206 /nfs/dbraw/zinc/79/52/06/367795206.db2.gz DWYFUVMZUFOYJI-YEZKRMTDSA-N 0 1 225.282 3.582 20 0 BHADMN CC/C=C\CN[C@@H](C)c1cccc(F)c1F ZINC000385253481 342712025 /nfs/dbraw/zinc/71/20/25/342712025.db2.gz XIPYVPQSFFXJIN-LWTINBJPSA-N 0 1 225.282 3.582 20 0 BHADMN CC/C=C/CN[C@H](C)c1cccc(F)c1F ZINC000385253482 342711991 /nfs/dbraw/zinc/71/19/91/342711991.db2.gz XIPYVPQSFFXJIN-ORAHPGNNSA-N 0 1 225.282 3.582 20 0 BHADMN CC/C=C\CN[C@H](C)c1cccc(F)c1F ZINC000385253487 342712138 /nfs/dbraw/zinc/71/21/38/342712138.db2.gz XIPYVPQSFFXJIN-UMCURTJPSA-N 0 1 225.282 3.582 20 0 BHADMN CC/C=C/CN[C@@H](C)c1cccc(F)c1F ZINC000385253488 342712120 /nfs/dbraw/zinc/71/21/20/342712120.db2.gz XIPYVPQSFFXJIN-YEZKRMTDSA-N 0 1 225.282 3.582 20 0 BHADMN CC/C=C\CN[C@@H](C)c1ccc(F)cc1F ZINC000385268561 367815187 /nfs/dbraw/zinc/81/51/87/367815187.db2.gz ZPYMMCXNQPZGKW-LWTINBJPSA-N 0 1 225.282 3.582 20 0 BHADMN CC/C=C/CN[C@H](C)c1ccc(F)cc1F ZINC000385268562 367815136 /nfs/dbraw/zinc/81/51/36/367815136.db2.gz ZPYMMCXNQPZGKW-ORAHPGNNSA-N 0 1 225.282 3.582 20 0 BHADMN CC/C=C\CN[C@H](C)c1ccc(F)cc1F ZINC000385268570 367814814 /nfs/dbraw/zinc/81/48/14/367814814.db2.gz ZPYMMCXNQPZGKW-UMCURTJPSA-N 0 1 225.282 3.582 20 0 BHADMN CC/C=C/CN[C@@H](C)c1ccc(F)cc1F ZINC000385268573 367815030 /nfs/dbraw/zinc/81/50/30/367815030.db2.gz ZPYMMCXNQPZGKW-YEZKRMTDSA-N 0 1 225.282 3.582 20 0 BHADMN Cc1nc([C@H](C)N[C@@H]2C[C@H]2CC(C)C)cs1 ZINC000385871416 367872575 /nfs/dbraw/zinc/87/25/75/367872575.db2.gz UYDXSNIDDGWYKA-MVWJERBFSA-N 0 1 238.400 3.537 20 0 BHADMN CC[C@H](C)CN(CC)C/C(Cl)=C\Cl ZINC000388616499 711063797 /nfs/dbraw/zinc/06/37/97/711063797.db2.gz CYQVDPAKTGFAMC-CMWXKVOJSA-N 0 1 224.175 3.673 20 0 BHADMN CC[C@H](C)CN(CC)C/C(Cl)=C/Cl ZINC000388616501 711063923 /nfs/dbraw/zinc/06/39/23/711063923.db2.gz CYQVDPAKTGFAMC-LKJZUNMESA-N 0 1 224.175 3.673 20 0 BHADMN CC[C@@H](C)CN(CC)C/C(Cl)=C/Cl ZINC000388616502 711064022 /nfs/dbraw/zinc/06/40/22/711064022.db2.gz CYQVDPAKTGFAMC-WPVMNKCKSA-N 0 1 224.175 3.673 20 0 BHADMN CC[C@@H](C)CN(CC)C/C(Cl)=C\Cl ZINC000388616504 711063632 /nfs/dbraw/zinc/06/36/32/711063632.db2.gz CYQVDPAKTGFAMC-ZFZMKPAXSA-N 0 1 224.175 3.673 20 0 BHADMN C[C@H]1CCCCCN1C/C(Cl)=C\Cl ZINC000388822305 711069585 /nfs/dbraw/zinc/06/95/85/711069585.db2.gz UJNNOIOBPHOZKP-HZAKCSEPSA-N 0 1 222.159 3.570 20 0 BHADMN C[C@@H]1CCCCCN1C/C(Cl)=C\Cl ZINC000388822306 711068930 /nfs/dbraw/zinc/06/89/30/711068930.db2.gz UJNNOIOBPHOZKP-YIXGCBLDSA-N 0 1 222.159 3.570 20 0 BHADMN CCCN(C/C(Cl)=C/Cl)CC(C)C ZINC000388844040 711068846 /nfs/dbraw/zinc/06/88/46/711068846.db2.gz ZBJUOPJMBFXQAN-POHAHGRESA-N 0 1 224.175 3.673 20 0 BHADMN CCCN(C/C(Cl)=C\Cl)CC(C)C ZINC000388844043 711069286 /nfs/dbraw/zinc/06/92/86/711069286.db2.gz ZBJUOPJMBFXQAN-UXBLZVDNSA-N 0 1 224.175 3.673 20 0 BHADMN CC[C@@H](C)CN(CC)Cc1csc(Cl)n1 ZINC000389328161 712689007 /nfs/dbraw/zinc/68/90/07/712689007.db2.gz HHBRHQLRBCRWNX-SECBINFHSA-N 0 1 246.807 3.665 20 0 BHADMN CC[C@H](C)CN(CC)Cc1csc(Cl)n1 ZINC000389328167 712689003 /nfs/dbraw/zinc/68/90/03/712689003.db2.gz HHBRHQLRBCRWNX-VIFPVBQESA-N 0 1 246.807 3.665 20 0 BHADMN C[C@H](CCc1ccccc1)N[C@@H](C)C(C)(F)F ZINC000389468613 356681901 /nfs/dbraw/zinc/68/19/01/356681901.db2.gz NIISNDZFFDMOQT-NEPJUHHUSA-N 0 1 241.325 3.641 20 0 BHADMN C[C@@H](N[C@@H](C)CCc1ccccc1)C(C)(F)F ZINC000389468615 356682133 /nfs/dbraw/zinc/68/21/33/356682133.db2.gz NIISNDZFFDMOQT-NWDGAFQWSA-N 0 1 241.325 3.641 20 0 BHADMN C[C@@H](CCc1ccccc1)N[C@@H](C)C(C)(F)F ZINC000389468616 356681925 /nfs/dbraw/zinc/68/19/25/356681925.db2.gz NIISNDZFFDMOQT-RYUDHWBXSA-N 0 1 241.325 3.641 20 0 BHADMN C[C@H](CCc1ccccc1)N[C@H](C)C(C)(F)F ZINC000389468617 356681976 /nfs/dbraw/zinc/68/19/76/356681976.db2.gz NIISNDZFFDMOQT-VXGBXAGGSA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@@H](Cc1ccccc1)N[C@@H](C)C(C)(F)F ZINC000389471909 356684038 /nfs/dbraw/zinc/68/40/38/356684038.db2.gz SEDCSAUEUGUZLP-AAEUAGOBSA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@H](Cc1ccccc1)N[C@H](C)C(C)(F)F ZINC000389471910 356683813 /nfs/dbraw/zinc/68/38/13/356683813.db2.gz SEDCSAUEUGUZLP-DGCLKSJQSA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@H](Cc1ccccc1)N[C@@H](C)C(C)(F)F ZINC000389471911 356683703 /nfs/dbraw/zinc/68/37/03/356683703.db2.gz SEDCSAUEUGUZLP-WCQYABFASA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@@H](Cc1ccccc1)N[C@H](C)C(C)(F)F ZINC000389471912 356684340 /nfs/dbraw/zinc/68/43/40/356684340.db2.gz SEDCSAUEUGUZLP-YPMHNXCESA-N 0 1 241.325 3.641 20 0 BHADMN C[C@@H](N[C@@H]1CCCC(C)(C)C1)C(C)(F)F ZINC000389478824 356686665 /nfs/dbraw/zinc/68/66/65/356686665.db2.gz COCDPJLNPJUFAZ-NXEZZACHSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@H](N[C@H]1CCCC(C)(C)C1)C(C)(F)F ZINC000389478825 356686843 /nfs/dbraw/zinc/68/68/43/356686843.db2.gz COCDPJLNPJUFAZ-UWVGGRQHSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@H](N[C@@H]1CCCC(C)(C)C1)C(C)(F)F ZINC000389478826 356687131 /nfs/dbraw/zinc/68/71/31/356687131.db2.gz COCDPJLNPJUFAZ-VHSXEESVSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@@H](N[C@H]1CCCC(C)(C)C1)C(C)(F)F ZINC000389478827 356687362 /nfs/dbraw/zinc/68/73/62/356687362.db2.gz COCDPJLNPJUFAZ-ZJUUUORDSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H]1CCC[C@H](N[C@@H](C)C(C)(F)F)C1 ZINC000389478828 356686584 /nfs/dbraw/zinc/68/65/84/356686584.db2.gz COOOAOWLQFMWNE-AXFHLTTASA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H]1CCC[C@@H](N[C@H](C)C(C)(F)F)C1 ZINC000389478829 356687043 /nfs/dbraw/zinc/68/70/43/356687043.db2.gz COOOAOWLQFMWNE-GMTAPVOTSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H]1CCC[C@@H](N[C@@H](C)C(C)(F)F)C1 ZINC000389478830 356687333 /nfs/dbraw/zinc/68/73/33/356687333.db2.gz COOOAOWLQFMWNE-HBNTYKKESA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H]1CCC[C@H](N[C@H](C)C(C)(F)F)C1 ZINC000389478831 356687169 /nfs/dbraw/zinc/68/71/69/356687169.db2.gz COOOAOWLQFMWNE-MXWKQRLJSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@@H](N[C@H](C)C(C)(F)F)C1CCCCC1 ZINC000389479132 356686802 /nfs/dbraw/zinc/68/68/02/356686802.db2.gz CSLQMOZGEDXVKX-NXEZZACHSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@H](N[C@@H](C)C(C)(F)F)C1CCCCC1 ZINC000389479133 356686987 /nfs/dbraw/zinc/68/69/87/356686987.db2.gz CSLQMOZGEDXVKX-UWVGGRQHSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@@H](N[C@@H](C)C1CCCCC1)C(C)(F)F ZINC000389479134 356686562 /nfs/dbraw/zinc/68/65/62/356686562.db2.gz CSLQMOZGEDXVKX-VHSXEESVSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@@H](N[C@@H](C)C(C)(F)F)C1CCCCC1 ZINC000389479137 356686550 /nfs/dbraw/zinc/68/65/50/356686550.db2.gz CSLQMOZGEDXVKX-ZJUUUORDSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@H](CCCC(F)(F)F)N[C@H](C)C(C)(F)F ZINC000389479760 356686951 /nfs/dbraw/zinc/68/69/51/356686951.db2.gz UASGKDKJHJPKPZ-HTQZYQBOSA-N 0 1 247.251 3.741 20 0 BHADMN C[C@@H](N[C@@H](C)CCCC(F)(F)F)C(C)(F)F ZINC000389479910 356687604 /nfs/dbraw/zinc/68/76/04/356687604.db2.gz UASGKDKJHJPKPZ-JGVFFNPUSA-N 0 1 247.251 3.741 20 0 BHADMN C[C@H](CCCC(F)(F)F)N[C@@H](C)C(C)(F)F ZINC000389479911 356688204 /nfs/dbraw/zinc/68/82/04/356688204.db2.gz UASGKDKJHJPKPZ-SFYZADRCSA-N 0 1 247.251 3.741 20 0 BHADMN C[C@@H](CCCC(F)(F)F)N[C@@H](C)C(C)(F)F ZINC000389479912 356687679 /nfs/dbraw/zinc/68/76/79/356687679.db2.gz UASGKDKJHJPKPZ-YUMQZZPRSA-N 0 1 247.251 3.741 20 0 BHADMN C[C@@H](NC1CCC(C)(C)CC1)C(C)(F)F ZINC000389481930 398087363 /nfs/dbraw/zinc/08/73/63/398087363.db2.gz HEQFQLACRXVPEV-SECBINFHSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@H](NC1CCC(C)(C)CC1)C(C)(F)F ZINC000389481931 356687755 /nfs/dbraw/zinc/68/77/55/356687755.db2.gz HEQFQLACRXVPEV-VIFPVBQESA-N 0 1 219.319 3.589 20 0 BHADMN CCCC(CCC)N[C@H](C)C(C)(F)F ZINC000389487239 356691098 /nfs/dbraw/zinc/69/10/98/356691098.db2.gz NXYPWKNQTBVADV-SECBINFHSA-N 0 1 207.308 3.589 20 0 BHADMN CCCC(CCC)N[C@@H](C)C(C)(F)F ZINC000389487241 356690890 /nfs/dbraw/zinc/69/08/90/356690890.db2.gz NXYPWKNQTBVADV-VIFPVBQESA-N 0 1 207.308 3.589 20 0 BHADMN CCCC[C@@H](CC)N[C@H](C)C(C)(F)F ZINC000389489176 356692966 /nfs/dbraw/zinc/69/29/66/356692966.db2.gz QBILPUBHAJAIMF-NXEZZACHSA-N 0 1 207.308 3.589 20 0 BHADMN CCCC[C@H](CC)N[C@@H](C)C(C)(F)F ZINC000389489177 356692828 /nfs/dbraw/zinc/69/28/28/356692828.db2.gz QBILPUBHAJAIMF-UWVGGRQHSA-N 0 1 207.308 3.589 20 0 BHADMN CCCC[C@@H](CC)N[C@@H](C)C(C)(F)F ZINC000389489178 356693613 /nfs/dbraw/zinc/69/36/13/356693613.db2.gz QBILPUBHAJAIMF-VHSXEESVSA-N 0 1 207.308 3.589 20 0 BHADMN CCCC[C@H](CC)N[C@H](C)C(C)(F)F ZINC000389489179 356693737 /nfs/dbraw/zinc/69/37/37/356693737.db2.gz QBILPUBHAJAIMF-ZJUUUORDSA-N 0 1 207.308 3.589 20 0 BHADMN C[C@H](N[C@H]1CCC[C@H](C2CC2)C1)C(C)(F)F ZINC000389491731 356693568 /nfs/dbraw/zinc/69/35/68/356693568.db2.gz SVGONGUQHHFSQP-DLOVCJGASA-N 0 1 231.330 3.589 20 0 BHADMN C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)C(C)(F)F ZINC000389491732 356693695 /nfs/dbraw/zinc/69/36/95/356693695.db2.gz SVGONGUQHHFSQP-MVWJERBFSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)C(C)(F)F ZINC000389491734 356693244 /nfs/dbraw/zinc/69/32/44/356693244.db2.gz SVGONGUQHHFSQP-WCQGTBRESA-N 0 1 231.330 3.589 20 0 BHADMN C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)C(C)(F)F ZINC000389491735 356693275 /nfs/dbraw/zinc/69/32/75/356693275.db2.gz SVGONGUQHHFSQP-ZMLRMANQSA-N 0 1 231.330 3.589 20 0 BHADMN CCC1CCC(N[C@H](C)C(C)(F)F)CC1 ZINC000389495531 356694635 /nfs/dbraw/zinc/69/46/35/356694635.db2.gz YAYDTCHSROOZIZ-KPPDAEKUSA-N 0 1 219.319 3.589 20 0 BHADMN CCC1CCC(N[C@@H](C)C(C)(F)F)CC1 ZINC000389495532 356694585 /nfs/dbraw/zinc/69/45/85/356694585.db2.gz YAYDTCHSROOZIZ-WHXUTIOJSA-N 0 1 219.319 3.589 20 0 BHADMN CC(C)(NC1CCCCCCC1)C(F)F ZINC000389867589 711094326 /nfs/dbraw/zinc/09/43/26/711094326.db2.gz HPLYHEVSNUZQIE-UHFFFAOYSA-N 0 1 219.319 3.733 20 0 BHADMN CC[C@@H](C)C[C@@H](CC)NC(C)(C)C(F)F ZINC000389971320 539019505 /nfs/dbraw/zinc/01/95/05/539019505.db2.gz CDTTUPVBJSRHPX-NXEZZACHSA-N 0 1 221.335 3.835 20 0 BHADMN CC[C@H](C)C[C@H](CC)NC(C)(C)C(F)F ZINC000389971322 539019024 /nfs/dbraw/zinc/01/90/24/539019024.db2.gz CDTTUPVBJSRHPX-UWVGGRQHSA-N 0 1 221.335 3.835 20 0 BHADMN CC[C@H](C[C@@H](C)CC)NC(C)(C)C(F)F ZINC000389971324 539019160 /nfs/dbraw/zinc/01/91/60/539019160.db2.gz CDTTUPVBJSRHPX-VHSXEESVSA-N 0 1 221.335 3.835 20 0 BHADMN CC[C@@H](C)C[C@H](CC)NC(C)(C)C(F)F ZINC000389971325 537921771 /nfs/dbraw/zinc/92/17/71/537921771.db2.gz CDTTUPVBJSRHPX-ZJUUUORDSA-N 0 1 221.335 3.835 20 0 BHADMN Cl/C=C\CNC1(c2cccc(Cl)c2)CC1 ZINC000389999717 711103459 /nfs/dbraw/zinc/10/34/59/711103459.db2.gz RXRSGLYQQKYVGK-UQCOIBPSSA-N 0 1 242.149 3.671 20 0 BHADMN C[C@H](NC/C=C\Cl)c1ccc(F)cc1Cl ZINC000390006631 711103050 /nfs/dbraw/zinc/10/30/50/711103050.db2.gz WYXZSUUJIHTDPC-YAPUSRSVSA-N 0 1 248.128 3.882 20 0 BHADMN C[C@@H](NC/C=C\Cl)c1ccc(F)cc1Cl ZINC000390006632 711103142 /nfs/dbraw/zinc/10/31/42/711103142.db2.gz WYXZSUUJIHTDPC-ZTHSNPKKSA-N 0 1 248.128 3.882 20 0 BHADMN CC(C)=CCC[C@@H](C)CCNCC(F)F ZINC000390009967 347219200 /nfs/dbraw/zinc/21/92/00/347219200.db2.gz YSMJNNGLEHQIAI-LLVKDONJSA-N 0 1 219.319 3.614 20 0 BHADMN CC(C)=CCC[C@H](C)CCNCC(F)F ZINC000390009969 347219720 /nfs/dbraw/zinc/21/97/20/347219720.db2.gz YSMJNNGLEHQIAI-NSHDSACASA-N 0 1 219.319 3.614 20 0 BHADMN Cc1cc(CNCc2occc2C)c(C)s1 ZINC000390166778 357085323 /nfs/dbraw/zinc/08/53/23/357085323.db2.gz FJSQFZRHTDSLDX-UHFFFAOYSA-N 0 1 235.352 3.556 20 0 BHADMN CC(C)CC(CC(C)C)NC1(C(F)F)CC1 ZINC000390185972 259382235 /nfs/dbraw/zinc/38/22/35/259382235.db2.gz LMYAOGQUKMTBIQ-UHFFFAOYSA-N 0 1 233.346 3.835 20 0 BHADMN CC(C)(C)[C@@H]1CC[C@H]1N[C@@H]1CCCC1(F)F ZINC000390378406 539021633 /nfs/dbraw/zinc/02/16/33/539021633.db2.gz YPRILAZUANCILR-GMTAPVOTSA-N 0 1 231.330 3.589 20 0 BHADMN CC(C)(C)[C@@H]1CC[C@H]1N[C@H]1CCCC1(F)F ZINC000390378407 539021416 /nfs/dbraw/zinc/02/14/16/539021416.db2.gz YPRILAZUANCILR-MXWKQRLJSA-N 0 1 231.330 3.589 20 0 BHADMN CC(C)(C)[C@@H]1CC[C@@H]1N[C@@H]1CCCC1(F)F ZINC000390378408 539021437 /nfs/dbraw/zinc/02/14/37/539021437.db2.gz YPRILAZUANCILR-OUAUKWLOSA-N 0 1 231.330 3.589 20 0 BHADMN CC(C)(C)[C@@H]1CC[C@@H]1N[C@H]1CCCC1(F)F ZINC000390378409 539021471 /nfs/dbraw/zinc/02/14/71/539021471.db2.gz YPRILAZUANCILR-VWYCJHECSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@@H]1CC[C@H](N[C@@H]2CCCC2(F)F)C[C@@H]1C ZINC000390508217 539022558 /nfs/dbraw/zinc/02/25/58/539022558.db2.gz YDJJHISCAKAMAR-NOOOWODRSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@@H]1CC[C@H](N[C@H]2CCCC2(F)F)C[C@@H]1C ZINC000390508219 634230841 /nfs/dbraw/zinc/23/08/41/634230841.db2.gz YDJJHISCAKAMAR-RHYQMDGZSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@@H]1CC[C@H](N[C@@H]2CCCC2(F)F)C[C@H]1C ZINC000390508221 634230942 /nfs/dbraw/zinc/23/09/42/634230942.db2.gz YDJJHISCAKAMAR-WISYIIOYSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@@H]1CC[C@H](N[C@H]2CCCC2(F)F)C[C@H]1C ZINC000390508222 539022690 /nfs/dbraw/zinc/02/26/90/539022690.db2.gz YDJJHISCAKAMAR-WYUUTHIRSA-N 0 1 231.330 3.589 20 0 BHADMN CCCC1CCC(NC(C)(C)C(F)F)CC1 ZINC000390531154 539026016 /nfs/dbraw/zinc/02/60/16/539026016.db2.gz IPVSRUDGISFXCV-UHFFFAOYSA-N 0 1 233.346 3.979 20 0 BHADMN CCC1(C)CCC(NC(C)(C)C(F)F)CC1 ZINC000390632941 539026775 /nfs/dbraw/zinc/02/67/75/539026775.db2.gz LJSKGKFWXBGRCK-UHFFFAOYSA-N 0 1 233.346 3.979 20 0 BHADMN Cc1ccnc(NC[C@H]2CCCCC2(F)F)c1 ZINC000390847896 385961142 /nfs/dbraw/zinc/96/11/42/385961142.db2.gz HWLVSCQBCMYFSW-LLVKDONJSA-N 0 1 240.297 3.627 20 0 BHADMN Cc1ccnc(NC[C@@H]2CCCCC2(F)F)c1 ZINC000390847900 385961256 /nfs/dbraw/zinc/96/12/56/385961256.db2.gz HWLVSCQBCMYFSW-NSHDSACASA-N 0 1 240.297 3.627 20 0 BHADMN Cc1cccc(NC[C@H]2CCCCC2(F)F)n1 ZINC000390847983 385959423 /nfs/dbraw/zinc/95/94/23/385959423.db2.gz HXWVZWNBEGVMRA-LLVKDONJSA-N 0 1 240.297 3.627 20 0 BHADMN Cc1cccc(NC[C@@H]2CCCCC2(F)F)n1 ZINC000390847985 259416265 /nfs/dbraw/zinc/41/62/65/259416265.db2.gz HXWVZWNBEGVMRA-NSHDSACASA-N 0 1 240.297 3.627 20 0 BHADMN CCCC[N@@H+](CC)Cc1cccc([O-])c1Cl ZINC000392962597 387305107 /nfs/dbraw/zinc/30/51/07/387305107.db2.gz PSNVRXWAVDPJQZ-UHFFFAOYSA-N 0 1 241.762 3.668 20 0 BHADMN CCCC[N@H+](CC)Cc1cccc([O-])c1Cl ZINC000392962597 387305105 /nfs/dbraw/zinc/30/51/05/387305105.db2.gz PSNVRXWAVDPJQZ-UHFFFAOYSA-N 0 1 241.762 3.668 20 0 BHADMN CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000393246072 387885021 /nfs/dbraw/zinc/88/50/21/387885021.db2.gz ASXGKMKULABSOQ-NXEZZACHSA-N 0 1 241.762 3.570 20 0 BHADMN CC[C@H](C)[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000393246073 387885336 /nfs/dbraw/zinc/88/53/36/387885336.db2.gz ASXGKMKULABSOQ-UWVGGRQHSA-N 0 1 241.762 3.570 20 0 BHADMN CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000393246075 387885597 /nfs/dbraw/zinc/88/55/97/387885597.db2.gz ASXGKMKULABSOQ-VHSXEESVSA-N 0 1 241.762 3.570 20 0 BHADMN CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000393246077 387885404 /nfs/dbraw/zinc/88/54/04/387885404.db2.gz ASXGKMKULABSOQ-ZJUUUORDSA-N 0 1 241.762 3.570 20 0 BHADMN C[C@@H](CCC1CCCC1)NCC(C)(F)F ZINC000393482665 357284600 /nfs/dbraw/zinc/28/46/00/357284600.db2.gz LBGFUEFKYXHLAT-JTQLQIEISA-N 0 1 219.319 3.590 20 0 BHADMN C[C@H](CCC1CCCC1)NCC(C)(F)F ZINC000393482666 357284339 /nfs/dbraw/zinc/28/43/39/357284339.db2.gz LBGFUEFKYXHLAT-SNVBAGLBSA-N 0 1 219.319 3.590 20 0 BHADMN F[C@@H]1CCCC[C@H]1NCc1ccc(Cl)s1 ZINC000393496806 385817221 /nfs/dbraw/zinc/81/72/21/385817221.db2.gz WMATXBOIPRUSLP-NXEZZACHSA-N 0 1 247.766 3.772 20 0 BHADMN CCCCCC[C@H](C)NC(C)(C)C(F)F ZINC000393606257 710633040 /nfs/dbraw/zinc/63/30/40/710633040.db2.gz GWDCNTPDLGNQLB-JTQLQIEISA-N 0 1 221.335 3.979 20 0 BHADMN CCCCCC[C@@H](C)NC(C)(C)C(F)F ZINC000393606263 710633094 /nfs/dbraw/zinc/63/30/94/710633094.db2.gz GWDCNTPDLGNQLB-SNVBAGLBSA-N 0 1 221.335 3.979 20 0 BHADMN CCC[C@H](C)CNC1(C(F)F)CCCC1 ZINC000393628571 583087255 /nfs/dbraw/zinc/08/72/55/583087255.db2.gz JBSVJBWHXBXYKF-JTQLQIEISA-N 0 1 219.319 3.590 20 0 BHADMN CCC[C@@H](C)CNC1(C(F)F)CCCC1 ZINC000393628578 582828320 /nfs/dbraw/zinc/82/83/20/582828320.db2.gz JBSVJBWHXBXYKF-SNVBAGLBSA-N 0 1 219.319 3.590 20 0 BHADMN CCCCC[C@@H](C)NC(C)(C)C(F)F ZINC000393682100 711169104 /nfs/dbraw/zinc/16/91/04/711169104.db2.gz IOQUMDODTSSWAV-SECBINFHSA-N 0 1 207.308 3.589 20 0 BHADMN CCCCC[C@H](C)NC(C)(C)C(F)F ZINC000393682102 711169119 /nfs/dbraw/zinc/16/91/19/711169119.db2.gz IOQUMDODTSSWAV-VIFPVBQESA-N 0 1 207.308 3.589 20 0 BHADMN CCC[N@H+](Cc1cnc(Cl)s1)CC(C)C ZINC000393728834 711171724 /nfs/dbraw/zinc/17/17/24/711171724.db2.gz BMKVSMCYAZKSCD-UHFFFAOYSA-N 0 1 246.807 3.665 20 0 BHADMN C[C@@H](CCCC(F)(F)F)NC(C)(C)C(F)F ZINC000393755827 711677661 /nfs/dbraw/zinc/67/76/61/711677661.db2.gz XBCNJFGNFHBNTO-ZETCQYMHSA-N 0 1 247.251 3.741 20 0 BHADMN C[C@@H](CCC1CCCC1)NC(C)(C)C(F)F ZINC000393765142 582923000 /nfs/dbraw/zinc/92/30/00/582923000.db2.gz GGVQEVHLLAACNC-JTQLQIEISA-N 0 1 233.346 3.979 20 0 BHADMN C[C@H](CCC1CCCC1)NC(C)(C)C(F)F ZINC000393765145 582922996 /nfs/dbraw/zinc/92/29/96/582922996.db2.gz GGVQEVHLLAACNC-SNVBAGLBSA-N 0 1 233.346 3.979 20 0 BHADMN C[C@H](NC/C=C/Cl)c1cc(F)c(F)c(F)c1 ZINC000393782657 711174120 /nfs/dbraw/zinc/17/41/20/711174120.db2.gz QRZVNMBZSCZFQK-AIYRYJHASA-N 0 1 249.663 3.507 20 0 BHADMN C[C@@H](NC/C=C\Cl)c1cc(F)c(F)c(F)c1 ZINC000393782659 711173867 /nfs/dbraw/zinc/17/38/67/711173867.db2.gz QRZVNMBZSCZFQK-SKRYNEFJSA-N 0 1 249.663 3.507 20 0 BHADMN C[C@@H](NC/C=C/Cl)c1cc(F)c(F)c(F)c1 ZINC000393782661 711678284 /nfs/dbraw/zinc/67/82/84/711678284.db2.gz QRZVNMBZSCZFQK-TYWZFMJISA-N 0 1 249.663 3.507 20 0 BHADMN C[C@H](NC/C=C\Cl)c1cc(F)c(F)c(F)c1 ZINC000393782664 711173870 /nfs/dbraw/zinc/17/38/70/711173870.db2.gz QRZVNMBZSCZFQK-XDVGHUOJSA-N 0 1 249.663 3.507 20 0 BHADMN C[C@H](NC1(C(F)F)CC1)C1CCCCCC1 ZINC000393808927 259388709 /nfs/dbraw/zinc/38/87/09/259388709.db2.gz RCDYLEBVYXNZAM-JTQLQIEISA-N 0 1 231.330 3.733 20 0 BHADMN C[C@@H](NC1(C(F)F)CC1)C1CCCCCC1 ZINC000393808929 259388908 /nfs/dbraw/zinc/38/89/08/259388908.db2.gz RCDYLEBVYXNZAM-SNVBAGLBSA-N 0 1 231.330 3.733 20 0 BHADMN CCc1ccc(CN[C@H](C)c2ccsc2)nc1 ZINC000393924954 410768454 /nfs/dbraw/zinc/76/84/54/410768454.db2.gz LJDAYHPQMVUTIN-LLVKDONJSA-N 0 1 246.379 3.556 20 0 BHADMN CCc1ccc(CN[C@@H](C)c2ccsc2)nc1 ZINC000393924956 410769651 /nfs/dbraw/zinc/76/96/51/410769651.db2.gz LJDAYHPQMVUTIN-NSHDSACASA-N 0 1 246.379 3.556 20 0 BHADMN Cc1csc(CNCc2cc(C)ccc2F)c1 ZINC000393961629 357322542 /nfs/dbraw/zinc/32/25/42/357322542.db2.gz SOJLALUSPRJLOF-UHFFFAOYSA-N 0 1 249.354 3.794 20 0 BHADMN Cc1ccc2nc(-c3ccc(O)cc3)[nH]c2c1C ZINC000393984959 357314260 /nfs/dbraw/zinc/31/42/60/357314260.db2.gz FBYXUMCOFMVNCK-UHFFFAOYSA-N 0 1 238.290 3.552 20 0 BHADMN CC[C@@H](NCc1ccc(C)o1)c1ccsc1 ZINC000394327414 410789349 /nfs/dbraw/zinc/78/93/49/410789349.db2.gz NKDXLNVASOBOQX-CYBMUJFWSA-N 0 1 235.352 3.890 20 0 BHADMN CC[C@H](NCc1ccc(C)o1)c1ccsc1 ZINC000394327415 410789561 /nfs/dbraw/zinc/78/95/61/410789561.db2.gz NKDXLNVASOBOQX-ZDUSSCGKSA-N 0 1 235.352 3.890 20 0 BHADMN Cc1cscc1CNCc1cccc(C)c1F ZINC000394981716 323184955 /nfs/dbraw/zinc/18/49/55/323184955.db2.gz WPXJAGROEXVGJY-UHFFFAOYSA-N 0 1 249.354 3.794 20 0 BHADMN Cc1ccoc1CNCc1cc(C)cc(Cl)c1 ZINC000395086338 386855216 /nfs/dbraw/zinc/85/52/16/386855216.db2.gz CXPQNMZJDYOSCR-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN CC[C@H](NCc1cnc(C)o1)c1ccc(C)cc1 ZINC000397908145 388511345 /nfs/dbraw/zinc/51/13/45/388511345.db2.gz BIHJLXKVZJAXMF-HNNXBMFYSA-N 0 1 244.338 3.532 20 0 BHADMN CC[C@@H](NCc1cnc(C)o1)c1ccc(C)cc1 ZINC000397908147 388511143 /nfs/dbraw/zinc/51/11/43/388511143.db2.gz BIHJLXKVZJAXMF-OAHLLOKOSA-N 0 1 244.338 3.532 20 0 BHADMN CCC[C@H](NCc1cnc(C)o1)c1ccccc1 ZINC000397915532 398124647 /nfs/dbraw/zinc/12/46/47/398124647.db2.gz GQLGHTOHRDCUNE-HNNXBMFYSA-N 0 1 244.338 3.614 20 0 BHADMN CCC[C@@H](NCc1cnc(C)o1)c1ccccc1 ZINC000397915537 398124382 /nfs/dbraw/zinc/12/43/82/398124382.db2.gz GQLGHTOHRDCUNE-OAHLLOKOSA-N 0 1 244.338 3.614 20 0 BHADMN CC[C@H](NCc1cnc(C)o1)c1cccc(C)c1 ZINC000397957763 388513591 /nfs/dbraw/zinc/51/35/91/388513591.db2.gz SPAVWXBUFUNFKD-HNNXBMFYSA-N 0 1 244.338 3.532 20 0 BHADMN CC[C@@H](NCc1cnc(C)o1)c1cccc(C)c1 ZINC000397957765 262941071 /nfs/dbraw/zinc/94/10/71/262941071.db2.gz SPAVWXBUFUNFKD-OAHLLOKOSA-N 0 1 244.338 3.532 20 0 BHADMN C[C@@H](CN[C@H]1CCCC1(F)F)c1ccccc1 ZINC000397993188 583115547 /nfs/dbraw/zinc/11/55/47/583115547.db2.gz JJLFYJAWRXLHJX-AAEUAGOBSA-N 0 1 239.309 3.568 20 0 BHADMN C[C@H](CN[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000397993189 583115471 /nfs/dbraw/zinc/11/54/71/583115471.db2.gz JJLFYJAWRXLHJX-DGCLKSJQSA-N 0 1 239.309 3.568 20 0 BHADMN C[C@@H](CN[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000397993190 583115597 /nfs/dbraw/zinc/11/55/97/583115597.db2.gz JJLFYJAWRXLHJX-WCQYABFASA-N 0 1 239.309 3.568 20 0 BHADMN C[C@H](CN[C@H]1CCCC1(F)F)c1ccccc1 ZINC000397993191 583115882 /nfs/dbraw/zinc/11/58/82/583115882.db2.gz JJLFYJAWRXLHJX-YPMHNXCESA-N 0 1 239.309 3.568 20 0 BHADMN C[C@H](CC(C)(C)C)N[C@@H]1CCCC1(F)F ZINC000398146488 711403014 /nfs/dbraw/zinc/40/30/14/711403014.db2.gz XUGJPCZLTGKJCT-NXEZZACHSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@@H](CC(C)(C)C)N[C@H]1CCCC1(F)F ZINC000398146489 711402801 /nfs/dbraw/zinc/40/28/01/711402801.db2.gz XUGJPCZLTGKJCT-UWVGGRQHSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@@H](CC(C)(C)C)N[C@@H]1CCCC1(F)F ZINC000398146490 711403041 /nfs/dbraw/zinc/40/30/41/711403041.db2.gz XUGJPCZLTGKJCT-VHSXEESVSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@H](CC(C)(C)C)N[C@H]1CCCC1(F)F ZINC000398146491 711402914 /nfs/dbraw/zinc/40/29/14/711402914.db2.gz XUGJPCZLTGKJCT-ZJUUUORDSA-N 0 1 219.319 3.589 20 0 BHADMN FC1(F)CCC[C@@H]1N[C@@H]1CCCC12CCCC2 ZINC000398190471 410947110 /nfs/dbraw/zinc/94/71/10/410947110.db2.gz JURVEZPGUFTGGL-NEPJUHHUSA-N 0 1 243.341 3.877 20 0 BHADMN FC1(F)CCC[C@H]1N[C@H]1CCCC12CCCC2 ZINC000398190473 410947609 /nfs/dbraw/zinc/94/76/09/410947609.db2.gz JURVEZPGUFTGGL-NWDGAFQWSA-N 0 1 243.341 3.877 20 0 BHADMN FC1(F)CCC[C@@H]1N[C@H]1CCCC12CCCC2 ZINC000398190477 410947053 /nfs/dbraw/zinc/94/70/53/410947053.db2.gz JURVEZPGUFTGGL-RYUDHWBXSA-N 0 1 243.341 3.877 20 0 BHADMN FC1(F)CCC[C@H]1N[C@@H]1CCCC12CCCC2 ZINC000398190481 410948085 /nfs/dbraw/zinc/94/80/85/410948085.db2.gz JURVEZPGUFTGGL-VXGBXAGGSA-N 0 1 243.341 3.877 20 0 BHADMN FC1(F)CCC[C@@H]1N[C@H]1CCC[C@@H](C2CC2)C1 ZINC000398190562 583123685 /nfs/dbraw/zinc/12/36/85/583123685.db2.gz JWQVFKVXBADQFQ-AGIUHOORSA-N 0 1 243.341 3.733 20 0 BHADMN FC1(F)CCC[C@@H]1N[C@H]1CCC[C@H](C2CC2)C1 ZINC000398190565 583123651 /nfs/dbraw/zinc/12/36/51/583123651.db2.gz JWQVFKVXBADQFQ-AVGNSLFASA-N 0 1 243.341 3.733 20 0 BHADMN FC1(F)CCC[C@@H]1N[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000398190568 583124109 /nfs/dbraw/zinc/12/41/09/583124109.db2.gz JWQVFKVXBADQFQ-UPJWGTAASA-N 0 1 243.341 3.733 20 0 BHADMN FC1(F)CCC[C@@H]1N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000398190570 583123976 /nfs/dbraw/zinc/12/39/76/583123976.db2.gz JWQVFKVXBADQFQ-XQQFMLRXSA-N 0 1 243.341 3.733 20 0 BHADMN CC1=C[C@H](C)C[C@@H](CN[C@@H]2CCCC2(F)F)C1 ZINC000398190627 583123582 /nfs/dbraw/zinc/12/35/82/583123582.db2.gz JWYNIUJIPMWHSZ-CYZMBNFOSA-N 0 1 243.341 3.756 20 0 BHADMN CC1=C[C@H](C)C[C@H](CN[C@H]2CCCC2(F)F)C1 ZINC000398190630 583123897 /nfs/dbraw/zinc/12/38/97/583123897.db2.gz JWYNIUJIPMWHSZ-DRZSPHRISA-N 0 1 243.341 3.756 20 0 BHADMN CC1=C[C@H](C)C[C@@H](CN[C@H]2CCCC2(F)F)C1 ZINC000398190632 583123833 /nfs/dbraw/zinc/12/38/33/583123833.db2.gz JWYNIUJIPMWHSZ-UHTWSYAYSA-N 0 1 243.341 3.756 20 0 BHADMN CC1=C[C@H](C)C[C@H](CN[C@@H]2CCCC2(F)F)C1 ZINC000398190636 583124234 /nfs/dbraw/zinc/12/42/34/583124234.db2.gz JWYNIUJIPMWHSZ-WCFLWFBJSA-N 0 1 243.341 3.756 20 0 BHADMN CCCCCC[C@@H](C)N[C@H](C)c1csnn1 ZINC000398375636 711409817 /nfs/dbraw/zinc/40/98/17/711409817.db2.gz QYZNLZWRMPIEJX-GHMZBOCLSA-N 0 1 241.404 3.548 20 0 BHADMN CCCCCC[C@@H](C)N[C@@H](C)c1csnn1 ZINC000398375644 711710150 /nfs/dbraw/zinc/71/01/50/711710150.db2.gz QYZNLZWRMPIEJX-MNOVXSKESA-N 0 1 241.404 3.548 20 0 BHADMN CCCCCC[C@H](C)N[C@@H](C)c1csnn1 ZINC000398375652 711410059 /nfs/dbraw/zinc/41/00/59/711410059.db2.gz QYZNLZWRMPIEJX-QWRGUYRKSA-N 0 1 241.404 3.548 20 0 BHADMN CCCCCC[C@H](C)N[C@H](C)c1csnn1 ZINC000398375658 711409242 /nfs/dbraw/zinc/40/92/42/711409242.db2.gz QYZNLZWRMPIEJX-WDEREUQCSA-N 0 1 241.404 3.548 20 0 BHADMN Cc1ccoc1CNCc1csc(C)c1C ZINC000399755662 368557327 /nfs/dbraw/zinc/55/73/27/368557327.db2.gz BBGRZAWLUUWGKB-UHFFFAOYSA-N 0 1 235.352 3.556 20 0 BHADMN Cc1ccc(CNCc2csc(C)c2C)o1 ZINC000399768035 368563466 /nfs/dbraw/zinc/56/34/66/368563466.db2.gz KKTKEMJNHRJUAJ-UHFFFAOYSA-N 0 1 235.352 3.556 20 0 BHADMN Cc1scc(CN[C@@H](C)c2ccco2)c1C ZINC000399769418 368562966 /nfs/dbraw/zinc/56/29/66/368562966.db2.gz 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BHADMN C[C@H]1c2cccn2CCN1CCCC(C)(C)C ZINC000410310291 191027359 /nfs/dbraw/zinc/02/73/59/191027359.db2.gz IOHSWHZLEWNVKS-ZDUSSCGKSA-N 0 1 234.387 3.691 20 0 BHADMN CC(C)C[C@H](C)CN1CCn2cccc2[C@@H]1C ZINC000410310354 191027836 /nfs/dbraw/zinc/02/78/36/191027836.db2.gz JRMGHKXPFYZBPU-KBPBESRZSA-N 0 1 234.387 3.547 20 0 BHADMN CC(C)C[C@@H](C)CN1CCn2cccc2[C@@H]1C ZINC000410310355 191028426 /nfs/dbraw/zinc/02/84/26/191028426.db2.gz JRMGHKXPFYZBPU-KGLIPLIRSA-N 0 1 234.387 3.547 20 0 BHADMN CC(C)C[C@H](C)CN1CCn2cccc2[C@H]1C ZINC000410310356 191027844 /nfs/dbraw/zinc/02/78/44/191027844.db2.gz JRMGHKXPFYZBPU-UONOGXRCSA-N 0 1 234.387 3.547 20 0 BHADMN CC(C)C[C@@H](C)CN1CCn2cccc2[C@H]1C ZINC000410310357 191027743 /nfs/dbraw/zinc/02/77/43/191027743.db2.gz JRMGHKXPFYZBPU-ZIAGYGMSSA-N 0 1 234.387 3.547 20 0 BHADMN CC(=O)c1ccc2c(c1)CN([C@H](C)CC(C)C)C2 ZINC000411952793 191232260 /nfs/dbraw/zinc/23/22/60/191232260.db2.gz OILKJWWTRGIESY-GFCCVEGCSA-N 0 1 245.366 3.639 20 0 BHADMN CC(=O)c1ccc2c(c1)CN([C@@H](C)CC(C)C)C2 ZINC000411952794 191231782 /nfs/dbraw/zinc/23/17/82/191231782.db2.gz OILKJWWTRGIESY-LBPRGKRZSA-N 0 1 245.366 3.639 20 0 BHADMN CC(=O)c1ccc2c(c1)CN(CCC(C)(C)C)C2 ZINC000411953088 191232311 /nfs/dbraw/zinc/23/23/11/191232311.db2.gz VWUNELTTWBTQQH-UHFFFAOYSA-N 0 1 245.366 3.641 20 0 BHADMN CCN(Cc1occc1C)[C@H](C)c1ccccn1 ZINC000412023187 191238842 /nfs/dbraw/zinc/23/88/42/191238842.db2.gz BTCKIUUNBWCPAT-CYBMUJFWSA-N 0 1 244.338 3.566 20 0 BHADMN CCN(Cc1occc1C)[C@@H](C)c1ccccn1 ZINC000412023188 191238203 /nfs/dbraw/zinc/23/82/03/191238203.db2.gz BTCKIUUNBWCPAT-ZDUSSCGKSA-N 0 1 244.338 3.566 20 0 BHADMN CCN(Cc1ncc(C2CC2)o1)C1CC(C)(C)C1 ZINC000412038477 191246704 /nfs/dbraw/zinc/24/67/04/191246704.db2.gz OXNZWAUSZPBGMH-UHFFFAOYSA-N 0 1 248.370 3.563 20 0 BHADMN Cc1nc([C@H](C)Sc2ccc(C)cc2C)n[nH]1 ZINC000412981200 191330392 /nfs/dbraw/zinc/33/03/92/191330392.db2.gz DUFGLJHHKFOFJF-JTQLQIEISA-N 0 1 247.367 3.583 20 0 BHADMN 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Cc1nc([C@@H](C)Sc2ccc(C)c(C)c2)n[nH]1 ZINC000412986366 191330219 /nfs/dbraw/zinc/33/02/19/191330219.db2.gz WKMVRYCEBOHHBW-SNVBAGLBSA-N 0 1 247.367 3.583 20 0 BHADMN CCCC(CCC)S[C@H](C)c1n[nH]c(C)n1 ZINC000412988126 191330211 /nfs/dbraw/zinc/33/02/11/191330211.db2.gz CPRHOZIHAQMTFP-SECBINFHSA-N 0 1 241.404 3.876 20 0 BHADMN CCCC(CCC)S[C@@H](C)c1n[nH]c(C)n1 ZINC000412988128 191330517 /nfs/dbraw/zinc/33/05/17/191330517.db2.gz CPRHOZIHAQMTFP-VIFPVBQESA-N 0 1 241.404 3.876 20 0 BHADMN C[C@H](NC1CC1)c1csc(-c2ccccc2)n1 ZINC000414058853 385937452 /nfs/dbraw/zinc/93/74/52/385937452.db2.gz UZCQRDSDXWJPKJ-JTQLQIEISA-N 0 1 244.363 3.623 20 0 BHADMN C[C@@H](NC1CC1)c1csc(-c2ccccc2)n1 ZINC000414058854 385936207 /nfs/dbraw/zinc/93/62/07/385936207.db2.gz UZCQRDSDXWJPKJ-SNVBAGLBSA-N 0 1 244.363 3.623 20 0 BHADMN Cc1nc([C@@H](C)N[C@@H]2C[C@H]2CC(C)C)cs1 ZINC000414192220 386030926 /nfs/dbraw/zinc/03/09/26/386030926.db2.gz UYDXSNIDDGWYKA-YUSALJHKSA-N 0 1 238.400 3.537 20 0 BHADMN Cc1cc([C@@H](C)N[C@@H]2CCCC[C@H]2F)c(C)o1 ZINC000414280053 386092065 /nfs/dbraw/zinc/09/20/65/386092065.db2.gz BVTWNOJRCHVAEL-LERXQTSPSA-N 0 1 239.334 3.828 20 0 BHADMN Cc1cc([C@H](C)N[C@@H]2CCCC[C@H]2F)c(C)o1 ZINC000414280054 386092167 /nfs/dbraw/zinc/09/21/67/386092167.db2.gz BVTWNOJRCHVAEL-ZLKJLUDKSA-N 0 1 239.334 3.828 20 0 BHADMN CCc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2F)o1 ZINC000414289006 191481906 /nfs/dbraw/zinc/48/19/06/191481906.db2.gz QQKGNHFUUOTRHJ-CYZMBNFOSA-N 0 1 239.334 3.773 20 0 BHADMN CCc1ccc([C@@H](C)N[C@@H]2CCCC[C@H]2F)o1 ZINC000414289009 386097968 /nfs/dbraw/zinc/09/79/68/386097968.db2.gz QQKGNHFUUOTRHJ-RAIGVLPGSA-N 0 1 239.334 3.773 20 0 BHADMN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccccc1F ZINC000414290915 386101082 /nfs/dbraw/zinc/10/10/82/386101082.db2.gz TUNDLOSKCLWOFQ-LERXQTSPSA-N 0 1 239.309 3.757 20 0 BHADMN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccccc1F ZINC000414290918 386101351 /nfs/dbraw/zinc/10/13/51/386101351.db2.gz TUNDLOSKCLWOFQ-ZLKJLUDKSA-N 0 1 239.309 3.757 20 0 BHADMN Cc1cc([C@H](C)N[C@@H]2CCCC[C@H]2F)oc1C ZINC000414303670 386138892 /nfs/dbraw/zinc/13/88/92/386138892.db2.gz DGWAATLXQYPNNG-CYZMBNFOSA-N 0 1 239.334 3.828 20 0 BHADMN Cc1cc([C@@H](C)N[C@@H]2CCCC[C@H]2F)oc1C ZINC000414303673 386138077 /nfs/dbraw/zinc/13/80/77/386138077.db2.gz DGWAATLXQYPNNG-RAIGVLPGSA-N 0 1 239.334 3.828 20 0 BHADMN Cc1occc1CNC1(c2ccccc2)CCC1 ZINC000414313009 386116278 /nfs/dbraw/zinc/11/62/78/386116278.db2.gz AYBYUXXAIWSRDL-UHFFFAOYSA-N 0 1 241.334 3.757 20 0 BHADMN F[C@@H]1CCCC[C@H]1N[C@H]1CCCc2occc21 ZINC000414319088 386118416 /nfs/dbraw/zinc/11/84/16/386118416.db2.gz YNSZWVZVUHJAGC-FRRDWIJNSA-N 0 1 237.318 3.527 20 0 BHADMN F[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2occc21 ZINC000414319090 386117757 /nfs/dbraw/zinc/11/77/57/386117757.db2.gz YNSZWVZVUHJAGC-JHJVBQTASA-N 0 1 237.318 3.527 20 0 BHADMN Cc1occc1CNC1(c2ccc(F)cc2)CC1 ZINC000414337382 386128914 /nfs/dbraw/zinc/12/89/14/386128914.db2.gz QBRXRVLNSPMAFZ-UHFFFAOYSA-N 0 1 245.297 3.506 20 0 BHADMN Cc1occc1CNC(C)(C)c1cccc(F)c1 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CCN(Cc1ccoc1C)[C@H](C)c1cccnc1 ZINC000414437806 191509513 /nfs/dbraw/zinc/50/95/13/191509513.db2.gz CACODGAWNVMDGD-GFCCVEGCSA-N 0 1 244.338 3.566 20 0 BHADMN CCN(Cc1ccoc1C)[C@@H](C)c1cccnc1 ZINC000414437809 386455017 /nfs/dbraw/zinc/45/50/17/386455017.db2.gz CACODGAWNVMDGD-LBPRGKRZSA-N 0 1 244.338 3.566 20 0 BHADMN CC[C@@H](c1ccncc1)N(C)Cc1ccoc1C ZINC000414438917 386465995 /nfs/dbraw/zinc/46/59/95/386465995.db2.gz DXGBATSGFHOROY-HNNXBMFYSA-N 0 1 244.338 3.566 20 0 BHADMN CC[C@H](c1ccncc1)N(C)Cc1ccoc1C ZINC000414438919 386465107 /nfs/dbraw/zinc/46/51/07/386465107.db2.gz DXGBATSGFHOROY-OAHLLOKOSA-N 0 1 244.338 3.566 20 0 BHADMN Cc1occc1CNC(C)(C)c1ccccc1F ZINC000414454479 386554101 /nfs/dbraw/zinc/55/41/01/386554101.db2.gz QUTKLNUGZKUHAD-UHFFFAOYSA-N 0 1 247.313 3.752 20 0 BHADMN F[C@@H]1CCCC[C@H]1NCc1cc2ccccc2o1 ZINC000414512984 385628832 /nfs/dbraw/zinc/62/88/32/385628832.db2.gz OPMDJZDXYIXKJY-ZIAGYGMSSA-N 0 1 247.313 3.803 20 0 BHADMN CCN(Cc1ccsc1C)Cc1occc1C ZINC000414548795 385722166 /nfs/dbraw/zinc/72/21/66/385722166.db2.gz KNINNNGHXPSFDH-UHFFFAOYSA-N 0 1 249.379 3.980 20 0 BHADMN CCN(Cc1ccsc1)Cc1occc1C ZINC000414553616 385749588 /nfs/dbraw/zinc/74/95/88/385749588.db2.gz TWTIFIXHRBXSFD-UHFFFAOYSA-N 0 1 235.352 3.672 20 0 BHADMN CC[C@@H](F)CN[C@@H](CC(F)F)c1ccccc1 ZINC000420991161 192292884 /nfs/dbraw/zinc/29/28/84/192292884.db2.gz HXQLBDZPFHVZEH-NEPJUHHUSA-N 0 1 245.288 3.721 20 0 BHADMN CC[C@H](F)CN[C@H](CC(F)F)c1ccccc1 ZINC000420991162 192292389 /nfs/dbraw/zinc/29/23/89/192292389.db2.gz HXQLBDZPFHVZEH-NWDGAFQWSA-N 0 1 245.288 3.721 20 0 BHADMN CC[C@H](F)CN[C@@H](CC(F)F)c1ccccc1 ZINC000420991163 192292342 /nfs/dbraw/zinc/29/23/42/192292342.db2.gz HXQLBDZPFHVZEH-RYUDHWBXSA-N 0 1 245.288 3.721 20 0 BHADMN CC[C@@H](F)CN[C@H](CC(F)F)c1ccccc1 ZINC000420991164 192292308 /nfs/dbraw/zinc/29/23/08/192292308.db2.gz HXQLBDZPFHVZEH-VXGBXAGGSA-N 0 1 245.288 3.721 20 0 BHADMN CN(Cc1ccc[nH]1)Cc1cccc(C2CC2)c1 ZINC000421323520 192317580 /nfs/dbraw/zinc/31/75/80/192317580.db2.gz 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CC[C@@H](F)CN(C)C/C(C)=C\c1ccccc1 ZINC000440517524 388048731 /nfs/dbraw/zinc/04/87/31/388048731.db2.gz IMHDAUUXVNBZDI-VSKPTYQZSA-N 0 1 235.346 3.770 20 0 BHADMN CC[C@H](F)CN(C)C/C(C)=C\c1ccccc1 ZINC000440517525 388049726 /nfs/dbraw/zinc/04/97/26/388049726.db2.gz IMHDAUUXVNBZDI-WVUXNXBLSA-N 0 1 235.346 3.770 20 0 BHADMN CC[C@@H](F)CN[C@@H](C)c1cc2ccccc2o1 ZINC000440524399 397929371 /nfs/dbraw/zinc/92/93/71/397929371.db2.gz SLSPWDAMDZAQTG-CMPLNLGQSA-N 0 1 235.302 3.832 20 0 BHADMN CC[C@H](F)CN[C@@H](C)c1cc2ccccc2o1 ZINC000440524400 397929603 /nfs/dbraw/zinc/92/96/03/397929603.db2.gz SLSPWDAMDZAQTG-JQWIXIFHSA-N 0 1 235.302 3.832 20 0 BHADMN CC[C@@H](F)CN1CCC(c2ccsc2)CC1 ZINC000440537116 388052794 /nfs/dbraw/zinc/05/27/94/388052794.db2.gz YHZXBWGEUVOCPK-CYBMUJFWSA-N 0 1 241.375 3.676 20 0 BHADMN CC[C@H](F)CN1CCC(c2ccsc2)CC1 ZINC000440537117 388053478 /nfs/dbraw/zinc/05/34/78/388053478.db2.gz YHZXBWGEUVOCPK-ZDUSSCGKSA-N 0 1 241.375 3.676 20 0 BHADMN CC[C@@H](F)CN[C@H](CC)c1cc(F)ccc1F ZINC000440600485 388060855 /nfs/dbraw/zinc/06/08/55/388060855.db2.gz XLDBYCFGRRGFJS-NOZJJQNGSA-N 0 1 245.288 3.754 20 0 BHADMN CC[C@@H](F)CN[C@@H](CC)c1cc(F)ccc1F ZINC000440600489 388060708 /nfs/dbraw/zinc/06/07/08/388060708.db2.gz XLDBYCFGRRGFJS-RNCFNFMXSA-N 0 1 245.288 3.754 20 0 BHADMN CC[C@@H](NC[C@@H](F)CC)c1cc(F)ccc1F ZINC000440600492 388061010 /nfs/dbraw/zinc/06/10/10/388061010.db2.gz XLDBYCFGRRGFJS-TVQRCGJNSA-N 0 1 245.288 3.754 20 0 BHADMN CC[C@H](F)CN[C@@H](CC)c1cc(F)ccc1F ZINC000440600494 388060793 /nfs/dbraw/zinc/06/07/93/388060793.db2.gz XLDBYCFGRRGFJS-ZANVPECISA-N 0 1 245.288 3.754 20 0 BHADMN CC[C@H](F)CNC(C)(C)c1ccc(F)c(F)c1 ZINC000440601088 388061233 /nfs/dbraw/zinc/06/12/33/388061233.db2.gz SNWANNGFJHDFQH-JTQLQIEISA-N 0 1 245.288 3.538 20 0 BHADMN CC[C@@H](F)CNC(C)(C)c1ccc(F)c(F)c1 ZINC000440601091 388060949 /nfs/dbraw/zinc/06/09/49/388060949.db2.gz SNWANNGFJHDFQH-SNVBAGLBSA-N 0 1 245.288 3.538 20 0 BHADMN CC[C@@H](F)CN[C@H](CC)c1ccc(F)cc1F ZINC000440603662 388060555 /nfs/dbraw/zinc/06/05/55/388060555.db2.gz ZZKMMEDHORLGII-NOZJJQNGSA-N 0 1 245.288 3.754 20 0 BHADMN CC[C@@H](F)CN[C@@H](CC)c1ccc(F)cc1F ZINC000440603663 388060348 /nfs/dbraw/zinc/06/03/48/388060348.db2.gz ZZKMMEDHORLGII-RNCFNFMXSA-N 0 1 245.288 3.754 20 0 BHADMN CC[C@@H](NC[C@@H](F)CC)c1ccc(F)cc1F ZINC000440603664 388060684 /nfs/dbraw/zinc/06/06/84/388060684.db2.gz ZZKMMEDHORLGII-TVQRCGJNSA-N 0 1 245.288 3.754 20 0 BHADMN CC[C@H](F)CN[C@@H](CC)c1ccc(F)cc1F ZINC000440603665 398192665 /nfs/dbraw/zinc/19/26/65/398192665.db2.gz ZZKMMEDHORLGII-ZANVPECISA-N 0 1 245.288 3.754 20 0 BHADMN CC[C@@H](F)CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000440696148 388064629 /nfs/dbraw/zinc/06/46/29/388064629.db2.gz SBFHMWOGZUZAKK-CMPLNLGQSA-N 0 1 227.298 3.567 20 0 BHADMN CC[C@H](F)CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000440696150 388064729 /nfs/dbraw/zinc/06/47/29/388064729.db2.gz SBFHMWOGZUZAKK-JQWIXIFHSA-N 0 1 227.298 3.567 20 0 BHADMN CC[C@H](F)CN(C)[C@H](C)c1ccc(F)cc1 ZINC000440696151 388065690 /nfs/dbraw/zinc/06/56/90/388065690.db2.gz SBFHMWOGZUZAKK-PWSUYJOCSA-N 0 1 227.298 3.567 20 0 BHADMN CC[C@@H](F)CN(C)[C@H](C)c1ccc(F)cc1 ZINC000440696154 388065316 /nfs/dbraw/zinc/06/53/16/388065316.db2.gz SBFHMWOGZUZAKK-ZYHUDNBSSA-N 0 1 227.298 3.567 20 0 BHADMN CC[C@H](F)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000440698342 388069403 /nfs/dbraw/zinc/06/94/03/388069403.db2.gz OOAJUAHNBALCCD-GXTWGEPZSA-N 0 1 239.309 3.711 20 0 BHADMN CC[C@H](F)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000440698343 388068847 /nfs/dbraw/zinc/06/88/47/388068847.db2.gz OOAJUAHNBALCCD-JSGCOSHPSA-N 0 1 239.309 3.711 20 0 BHADMN CC[C@@H](F)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000440698344 206080377 /nfs/dbraw/zinc/08/03/77/206080377.db2.gz OOAJUAHNBALCCD-OCCSQVGLSA-N 0 1 239.309 3.711 20 0 BHADMN CC[C@@H](F)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000440698345 206079741 /nfs/dbraw/zinc/07/97/41/206079741.db2.gz OOAJUAHNBALCCD-TZMCWYRMSA-N 0 1 239.309 3.711 20 0 BHADMN CC[C@@H](F)CN(Cc1cccs1)C(C)C ZINC000440701508 388070528 /nfs/dbraw/zinc/07/05/28/388070528.db2.gz AJQVOINFCATVSU-LLVKDONJSA-N 0 1 229.364 3.707 20 0 BHADMN CC[C@H](F)CN(Cc1cccs1)C(C)C ZINC000440701511 201505646 /nfs/dbraw/zinc/50/56/46/201505646.db2.gz AJQVOINFCATVSU-NSHDSACASA-N 0 1 229.364 3.707 20 0 BHADMN CC[C@@H](F)CN(Cc1ccc(F)cc1)C1CC1 ZINC000440703373 388071525 /nfs/dbraw/zinc/07/15/25/388071525.db2.gz MNYDYUSWEAUGMN-GFCCVEGCSA-N 0 1 239.309 3.538 20 0 BHADMN CC[C@H](F)CN(Cc1ccc(F)cc1)C1CC1 ZINC000440703374 388071559 /nfs/dbraw/zinc/07/15/59/388071559.db2.gz MNYDYUSWEAUGMN-LBPRGKRZSA-N 0 1 239.309 3.538 20 0 BHADMN CC[C@@H](F)CN1CCC[C@H]1c1ccsc1 ZINC000440703393 386086775 /nfs/dbraw/zinc/08/67/75/386086775.db2.gz HJYFGHJNHSNOLC-NEPJUHHUSA-N 0 1 227.348 3.633 20 0 BHADMN CC[C@H](F)CN1CCC[C@@H]1c1ccsc1 ZINC000440703394 386086715 /nfs/dbraw/zinc/08/67/15/386086715.db2.gz HJYFGHJNHSNOLC-NWDGAFQWSA-N 0 1 227.348 3.633 20 0 BHADMN CC[C@H](F)CN1CCC[C@H]1c1ccsc1 ZINC000440703395 386087229 /nfs/dbraw/zinc/08/72/29/386087229.db2.gz HJYFGHJNHSNOLC-RYUDHWBXSA-N 0 1 227.348 3.633 20 0 BHADMN CC[C@@H](F)CN1CCC[C@@H]1c1ccsc1 ZINC000440703396 386087247 /nfs/dbraw/zinc/08/72/47/386087247.db2.gz HJYFGHJNHSNOLC-VXGBXAGGSA-N 0 1 227.348 3.633 20 0 BHADMN CC[C@H](F)CN1CCc2sccc2[C@H]1CC ZINC000440703453 386092088 /nfs/dbraw/zinc/09/20/88/386092088.db2.gz IFHNWIXCMLCWKW-CMPLNLGQSA-N 0 1 241.375 3.805 20 0 BHADMN CC[C@H](F)CN1CCc2sccc2[C@@H]1CC ZINC000440703454 386090891 /nfs/dbraw/zinc/09/08/91/386090891.db2.gz IFHNWIXCMLCWKW-JQWIXIFHSA-N 0 1 241.375 3.805 20 0 BHADMN CC[C@@H](F)CN1CCc2sccc2[C@@H]1CC ZINC000440703455 386091651 /nfs/dbraw/zinc/09/16/51/386091651.db2.gz IFHNWIXCMLCWKW-PWSUYJOCSA-N 0 1 241.375 3.805 20 0 BHADMN CC[C@@H](F)CN1CCc2sccc2[C@H]1CC ZINC000440703456 386091434 /nfs/dbraw/zinc/09/14/34/386091434.db2.gz IFHNWIXCMLCWKW-ZYHUDNBSSA-N 0 1 241.375 3.805 20 0 BHADMN CC[C@@H](F)CN(Cc1cccc(F)c1)C(C)C ZINC000440703481 386093088 /nfs/dbraw/zinc/09/30/88/386093088.db2.gz IKHVQBZPIQYLLI-CYBMUJFWSA-N 0 1 241.325 3.784 20 0 BHADMN CC[C@H](F)CN(Cc1cccc(F)c1)C(C)C ZINC000440703482 386093154 /nfs/dbraw/zinc/09/31/54/386093154.db2.gz IKHVQBZPIQYLLI-ZDUSSCGKSA-N 0 1 241.325 3.784 20 0 BHADMN CC[C@@H](F)CN1CCCC[C@H]1c1ccco1 ZINC000440704336 388071650 /nfs/dbraw/zinc/07/16/50/388071650.db2.gz VATUQKJVPUNYJA-NEPJUHHUSA-N 0 1 225.307 3.555 20 0 BHADMN CC[C@H](F)CN1CCCC[C@@H]1c1ccco1 ZINC000440704337 388071345 /nfs/dbraw/zinc/07/13/45/388071345.db2.gz VATUQKJVPUNYJA-NWDGAFQWSA-N 0 1 225.307 3.555 20 0 BHADMN CC[C@H](F)CN1CCCC[C@H]1c1ccco1 ZINC000440704338 388070767 /nfs/dbraw/zinc/07/07/67/388070767.db2.gz VATUQKJVPUNYJA-RYUDHWBXSA-N 0 1 225.307 3.555 20 0 BHADMN CC[C@@H](F)CN1CCCC[C@@H]1c1ccco1 ZINC000440704339 388070451 /nfs/dbraw/zinc/07/04/51/388070451.db2.gz VATUQKJVPUNYJA-VXGBXAGGSA-N 0 1 225.307 3.555 20 0 BHADMN CC[C@@H](F)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000440705398 387674478 /nfs/dbraw/zinc/67/44/78/387674478.db2.gz ZHFYRQVZMIJSMT-GXSJLCMTSA-N 0 1 245.288 3.706 20 0 BHADMN CC[C@H](F)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000440705399 387674036 /nfs/dbraw/zinc/67/40/36/387674036.db2.gz ZHFYRQVZMIJSMT-KOLCDFICSA-N 0 1 245.288 3.706 20 0 BHADMN CC[C@@H](F)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000440705400 387673801 /nfs/dbraw/zinc/67/38/01/387673801.db2.gz ZHFYRQVZMIJSMT-MWLCHTKSSA-N 0 1 245.288 3.706 20 0 BHADMN CC[C@H](F)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000440705402 387675200 /nfs/dbraw/zinc/67/52/00/387675200.db2.gz ZHFYRQVZMIJSMT-ONGXEEELSA-N 0 1 245.288 3.706 20 0 BHADMN CC[C@H](F)CN1CCC[C@@H]1c1cccc(F)c1 ZINC000440707098 387673922 /nfs/dbraw/zinc/67/39/22/387673922.db2.gz WTZFRZJXKRBRNG-GXTWGEPZSA-N 0 1 239.309 3.711 20 0 BHADMN CC[C@H](F)CN1CCC[C@H]1c1cccc(F)c1 ZINC000440707099 387673948 /nfs/dbraw/zinc/67/39/48/387673948.db2.gz WTZFRZJXKRBRNG-JSGCOSHPSA-N 0 1 239.309 3.711 20 0 BHADMN CC[C@@H](F)CN1CCC[C@H]1c1cccc(F)c1 ZINC000440707100 387675493 /nfs/dbraw/zinc/67/54/93/387675493.db2.gz WTZFRZJXKRBRNG-OCCSQVGLSA-N 0 1 239.309 3.711 20 0 BHADMN CC[C@@H](F)CN1CCC[C@@H]1c1cccc(F)c1 ZINC000440707101 387675341 /nfs/dbraw/zinc/67/53/41/387675341.db2.gz WTZFRZJXKRBRNG-TZMCWYRMSA-N 0 1 239.309 3.711 20 0 BHADMN CC[C@@H](F)CN(Cc1cccc(F)c1)C1CC1 ZINC000440710829 387676614 /nfs/dbraw/zinc/67/66/14/387676614.db2.gz CWGYAHYPJKHSCK-GFCCVEGCSA-N 0 1 239.309 3.538 20 0 BHADMN CC[C@@H](F)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000440710829 387676609 /nfs/dbraw/zinc/67/66/09/387676609.db2.gz CWGYAHYPJKHSCK-GFCCVEGCSA-N 0 1 239.309 3.538 20 0 BHADMN CC[C@H](F)CN(Cc1cccc(F)c1)C1CC1 ZINC000440710831 387678889 /nfs/dbraw/zinc/67/88/89/387678889.db2.gz CWGYAHYPJKHSCK-LBPRGKRZSA-N 0 1 239.309 3.538 20 0 BHADMN CC[C@H](F)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000440710831 387678885 /nfs/dbraw/zinc/67/88/85/387678885.db2.gz CWGYAHYPJKHSCK-LBPRGKRZSA-N 0 1 239.309 3.538 20 0 BHADMN CC[C@@H](F)CN(C)Cc1cccc(Cl)c1 ZINC000440711378 387677291 /nfs/dbraw/zinc/67/72/91/387677291.db2.gz JBMXIBIXPRRITD-GFCCVEGCSA-N 0 1 229.726 3.520 20 0 BHADMN CC[C@H](F)CN(C)Cc1cccc(Cl)c1 ZINC000440711379 387678626 /nfs/dbraw/zinc/67/86/26/387678626.db2.gz JBMXIBIXPRRITD-LBPRGKRZSA-N 0 1 229.726 3.520 20 0 BHADMN CC[C@@H](F)CN(C)Cc1ccc(Cl)cc1 ZINC000440712296 386104013 /nfs/dbraw/zinc/10/40/13/386104013.db2.gz LSAPJJPFHJBDMV-GFCCVEGCSA-N 0 1 229.726 3.520 20 0 BHADMN CC[C@H](F)CN(C)Cc1ccc(Cl)cc1 ZINC000440712297 386103144 /nfs/dbraw/zinc/10/31/44/386103144.db2.gz LSAPJJPFHJBDMV-LBPRGKRZSA-N 0 1 229.726 3.520 20 0 BHADMN CC[C@H](F)CN(Cc1ccccc1C)C1CC1 ZINC000440716727 387680477 /nfs/dbraw/zinc/68/04/77/387680477.db2.gz QYKRIWIVNHIINI-AWEZNQCLSA-N 0 1 235.346 3.708 20 0 BHADMN CC[C@@H](F)CN(Cc1ccccc1C)C1CC1 ZINC000440716738 387681532 /nfs/dbraw/zinc/68/15/32/387681532.db2.gz QYKRIWIVNHIINI-CQSZACIVSA-N 0 1 235.346 3.708 20 0 BHADMN CC[C@@H](F)CN(Cc1ccco1)C1CCCC1 ZINC000440719485 387679963 /nfs/dbraw/zinc/67/99/63/387679963.db2.gz XYWAWHOCGDQUDI-GFCCVEGCSA-N 0 1 239.334 3.772 20 0 BHADMN CC[C@H](F)CN(Cc1ccco1)C1CCCC1 ZINC000440719487 387683120 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/nfs/dbraw/zinc/69/67/09/387696709.db2.gz DDXGRESQIGQPPK-YPMHNXCESA-N 0 1 239.334 3.727 20 0 BHADMN CC[C@H](F)CN(CC)[C@@H](C)c1cccc(O)c1 ZINC000440784843 387697216 /nfs/dbraw/zinc/69/72/16/387697216.db2.gz JAYVZEBNQGGCBA-AAEUAGOBSA-N 0 1 239.334 3.523 20 0 BHADMN CC[C@@H](F)CN(CC)[C@H](C)c1cccc(O)c1 ZINC000440784844 387697239 /nfs/dbraw/zinc/69/72/39/387697239.db2.gz JAYVZEBNQGGCBA-DGCLKSJQSA-N 0 1 239.334 3.523 20 0 BHADMN CC[C@@H](F)CN(CC)[C@@H](C)c1cccc(O)c1 ZINC000440784845 387697130 /nfs/dbraw/zinc/69/71/30/387697130.db2.gz JAYVZEBNQGGCBA-WCQYABFASA-N 0 1 239.334 3.523 20 0 BHADMN CC[C@H](F)CN(CC)[C@H](C)c1cccc(O)c1 ZINC000440784846 387695611 /nfs/dbraw/zinc/69/56/11/387695611.db2.gz JAYVZEBNQGGCBA-YPMHNXCESA-N 0 1 239.334 3.523 20 0 BHADMN CC[C@@H](F)CN(C)Cc1cc2ccccc2o1 ZINC000440792031 387698915 /nfs/dbraw/zinc/69/89/15/387698915.db2.gz KLWGRKKTVNTHJA-GFCCVEGCSA-N 0 1 235.302 3.613 20 0 BHADMN CC[C@H](F)CN(C)Cc1cc2ccccc2o1 ZINC000440792032 387700474 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CC[C@@H](N[C@@H]1CCC[C@@H](CC)C1)C(F)F ZINC000449356821 388180620 /nfs/dbraw/zinc/18/06/20/388180620.db2.gz AYQPUGLZXFNMCA-GMTAPVOTSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](N[C@@H]1CCC[C@@H](CC)C1)C(F)F ZINC000449356823 388180878 /nfs/dbraw/zinc/18/08/78/388180878.db2.gz AYQPUGLZXFNMCA-MXWKQRLJSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H](N[C@H]1CCC[C@@H](CC)C1)C(F)F ZINC000449356824 388180756 /nfs/dbraw/zinc/18/07/56/388180756.db2.gz AYQPUGLZXFNMCA-OUAUKWLOSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](N[C@H]1CCC[C@@H](CC)C1)C(F)F ZINC000449356826 388180492 /nfs/dbraw/zinc/18/04/92/388180492.db2.gz AYQPUGLZXFNMCA-VWYCJHECSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H](N[C@@H](C)CCc1ccsc1)C(F)F ZINC000449357172 388180973 /nfs/dbraw/zinc/18/09/73/388180973.db2.gz BXUWYVFANZFOKF-GXSJLCMTSA-N 0 1 247.354 3.703 20 0 BHADMN CC[C@H](N[C@H](C)CCc1ccsc1)C(F)F ZINC000449357173 388180955 /nfs/dbraw/zinc/18/09/55/388180955.db2.gz BXUWYVFANZFOKF-KOLCDFICSA-N 0 1 247.354 3.703 20 0 BHADMN CC[C@@H](N[C@H](C)CCc1ccsc1)C(F)F ZINC000449357174 388180951 /nfs/dbraw/zinc/18/09/51/388180951.db2.gz BXUWYVFANZFOKF-MWLCHTKSSA-N 0 1 247.354 3.703 20 0 BHADMN CC[C@H](N[C@@H](C)CCc1ccsc1)C(F)F ZINC000449357175 388180739 /nfs/dbraw/zinc/18/07/39/388180739.db2.gz BXUWYVFANZFOKF-ONGXEEELSA-N 0 1 247.354 3.703 20 0 BHADMN CC[C@@H](N[C@@H](C)CC1CCCC1)C(F)F ZINC000449358993 383970318 /nfs/dbraw/zinc/97/03/18/383970318.db2.gz HBSYNHPVQHHRFS-GXSJLCMTSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](N[C@H](C)CC1CCCC1)C(F)F ZINC000449358995 383969236 /nfs/dbraw/zinc/96/92/36/383969236.db2.gz HBSYNHPVQHHRFS-KOLCDFICSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H](N[C@H](C)CC1CCCC1)C(F)F ZINC000449358996 383972974 /nfs/dbraw/zinc/97/29/74/383972974.db2.gz HBSYNHPVQHHRFS-MWLCHTKSSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](N[C@@H](C)CC1CCCC1)C(F)F ZINC000449358998 383973065 /nfs/dbraw/zinc/97/30/65/383973065.db2.gz HBSYNHPVQHHRFS-ONGXEEELSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](NC1CCC(CC)CC1)C(F)F ZINC000449359796 388181705 /nfs/dbraw/zinc/18/17/05/388181705.db2.gz ICORSUFWAKJJFU-ILDUYXDCSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H](NC1CCC(CC)CC1)C(F)F ZINC000449359797 388181609 /nfs/dbraw/zinc/18/16/09/388181609.db2.gz ICORSUFWAKJJFU-VQXHTEKXSA-N 0 1 219.319 3.589 20 0 BHADMN CCCC[C@@H](CC)N[C@H](CC)C(F)F ZINC000449360394 388181871 /nfs/dbraw/zinc/18/18/71/388181871.db2.gz JAKKHQLQAWPQHX-NXEZZACHSA-N 0 1 207.308 3.589 20 0 BHADMN CCCC[C@H](CC)N[C@@H](CC)C(F)F ZINC000449360395 388181448 /nfs/dbraw/zinc/18/14/48/388181448.db2.gz JAKKHQLQAWPQHX-UWVGGRQHSA-N 0 1 207.308 3.589 20 0 BHADMN CCCC[C@H](CC)N[C@H](CC)C(F)F ZINC000449360396 388181712 /nfs/dbraw/zinc/18/17/12/388181712.db2.gz JAKKHQLQAWPQHX-VHSXEESVSA-N 0 1 207.308 3.589 20 0 BHADMN CCCC[C@@H](CC)N[C@@H](CC)C(F)F ZINC000449360397 388181432 /nfs/dbraw/zinc/18/14/32/388181432.db2.gz JAKKHQLQAWPQHX-ZJUUUORDSA-N 0 1 207.308 3.589 20 0 BHADMN CCCC(CCC)N[C@@H](CC)C(F)F ZINC000449360868 383975755 /nfs/dbraw/zinc/97/57/55/383975755.db2.gz JTXDGPCSNRNYIN-JTQLQIEISA-N 0 1 207.308 3.589 20 0 BHADMN CCCC(CCC)N[C@H](CC)C(F)F ZINC000449360869 383976553 /nfs/dbraw/zinc/97/65/53/383976553.db2.gz JTXDGPCSNRNYIN-SNVBAGLBSA-N 0 1 207.308 3.589 20 0 BHADMN CC[C@H](Cc1ccccc1)N[C@H](CC)C(F)F ZINC000449361190 388182580 /nfs/dbraw/zinc/18/25/80/388182580.db2.gz KPQWTLZUUUFHAW-CHWSQXEVSA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@H](Cc1ccccc1)N[C@@H](CC)C(F)F ZINC000449361191 388182254 /nfs/dbraw/zinc/18/22/54/388182254.db2.gz KPQWTLZUUUFHAW-OLZOCXBDSA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@@H](N[C@@H](CC)Cc1ccccc1)C(F)F ZINC000449361192 388182019 /nfs/dbraw/zinc/18/20/19/388182019.db2.gz KPQWTLZUUUFHAW-QWHCGFSZSA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@@H](Cc1ccccc1)N[C@@H](CC)C(F)F ZINC000449361193 388182077 /nfs/dbraw/zinc/18/20/77/388182077.db2.gz KPQWTLZUUUFHAW-STQMWFEESA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@H](N[C@@H](C)CCc1ccccc1)C(F)F ZINC000449362285 383982772 /nfs/dbraw/zinc/98/27/72/383982772.db2.gz MPHBKSIASPWMNW-AAEUAGOBSA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@@H](N[C@H](C)CCc1ccccc1)C(F)F ZINC000449362290 383981180 /nfs/dbraw/zinc/98/11/80/383981180.db2.gz MPHBKSIASPWMNW-DGCLKSJQSA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@@H](N[C@@H](C)CCc1ccccc1)C(F)F ZINC000449362296 383982811 /nfs/dbraw/zinc/98/28/11/383982811.db2.gz MPHBKSIASPWMNW-WCQYABFASA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@H](N[C@H](C)CCc1ccccc1)C(F)F ZINC000449362299 383982540 /nfs/dbraw/zinc/98/25/40/383982540.db2.gz MPHBKSIASPWMNW-YPMHNXCESA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@H](NC1CCC(C)(C)CC1)C(F)F ZINC000449362508 388182141 /nfs/dbraw/zinc/18/21/41/388182141.db2.gz NCGFIOZZTKIWGN-JTQLQIEISA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H](NC1CCC(C)(C)CC1)C(F)F ZINC000449362514 388182333 /nfs/dbraw/zinc/18/23/33/388182333.db2.gz NCGFIOZZTKIWGN-SNVBAGLBSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H](CN[C@@H](CC)C(F)F)c1ccccc1 ZINC000449362947 388182207 /nfs/dbraw/zinc/18/22/07/388182207.db2.gz OKHHDYIHUHTWEZ-AAEUAGOBSA-N 0 1 241.325 3.814 20 0 BHADMN CC[C@@H](NC[C@@H](CC)c1ccccc1)C(F)F ZINC000449362948 388182418 /nfs/dbraw/zinc/18/24/18/388182418.db2.gz OKHHDYIHUHTWEZ-DGCLKSJQSA-N 0 1 241.325 3.814 20 0 BHADMN CC[C@@H](CN[C@H](CC)C(F)F)c1ccccc1 ZINC000449362949 388182656 /nfs/dbraw/zinc/18/26/56/388182656.db2.gz OKHHDYIHUHTWEZ-WCQYABFASA-N 0 1 241.325 3.814 20 0 BHADMN CC[C@H](CN[C@@H](CC)C(F)F)c1ccccc1 ZINC000449362950 388182154 /nfs/dbraw/zinc/18/21/54/388182154.db2.gz OKHHDYIHUHTWEZ-YPMHNXCESA-N 0 1 241.325 3.814 20 0 BHADMN CC[C@H](N[C@@H](C)[C@H](C)c1ccccc1)C(F)F ZINC000449363047 383986884 /nfs/dbraw/zinc/98/68/84/383986884.db2.gz OPMVKQGYZJULIB-GVXVVHGQSA-N 0 1 241.325 3.812 20 0 BHADMN CC[C@H](N[C@H](C)[C@H](C)c1ccccc1)C(F)F ZINC000449363048 383988258 /nfs/dbraw/zinc/98/82/58/383988258.db2.gz OPMVKQGYZJULIB-LOWVWBTDSA-N 0 1 241.325 3.812 20 0 BHADMN CC[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)C(F)F ZINC000449363050 383987388 /nfs/dbraw/zinc/98/73/88/383987388.db2.gz OPMVKQGYZJULIB-MDZLAQPJSA-N 0 1 241.325 3.812 20 0 BHADMN CC[C@H](N[C@H](C)[C@@H](C)c1ccccc1)C(F)F ZINC000449363053 383987616 /nfs/dbraw/zinc/98/76/16/383987616.db2.gz OPMVKQGYZJULIB-WZRBSPASSA-N 0 1 241.325 3.812 20 0 BHADMN CC[C@@H](N[C@H](C)CCC=C(C)C)C(F)F ZINC000449363666 388182030 /nfs/dbraw/zinc/18/20/30/388182030.db2.gz QDEWQWXLUVKSNW-GHMZBOCLSA-N 0 1 219.319 3.755 20 0 BHADMN CC[C@H](N[C@H](C)CCC=C(C)C)C(F)F ZINC000449363667 388182441 /nfs/dbraw/zinc/18/24/41/388182441.db2.gz QDEWQWXLUVKSNW-MNOVXSKESA-N 0 1 219.319 3.755 20 0 BHADMN CC[C@H](N[C@@H](C)CCC=C(C)C)C(F)F ZINC000449363668 388182494 /nfs/dbraw/zinc/18/24/94/388182494.db2.gz QDEWQWXLUVKSNW-QWRGUYRKSA-N 0 1 219.319 3.755 20 0 BHADMN CC[C@@H](N[C@@H](C)CCC=C(C)C)C(F)F ZINC000449363669 388182505 /nfs/dbraw/zinc/18/25/05/388182505.db2.gz QDEWQWXLUVKSNW-WDEREUQCSA-N 0 1 219.319 3.755 20 0 BHADMN CC[C@@H](N[C@H](C)CCCC(F)(F)F)C(F)F ZINC000449364360 383996916 /nfs/dbraw/zinc/99/69/16/383996916.db2.gz RSLBJIDEYWVIKW-HTQZYQBOSA-N 0 1 247.251 3.741 20 0 BHADMN CC[C@@H](N[C@@H](C)CCCC(F)(F)F)C(F)F ZINC000449364361 383997106 /nfs/dbraw/zinc/99/71/06/383997106.db2.gz RSLBJIDEYWVIKW-JGVFFNPUSA-N 0 1 247.251 3.741 20 0 BHADMN CC[C@H](N[C@H](C)CCCC(F)(F)F)C(F)F ZINC000449364362 200667352 /nfs/dbraw/zinc/66/73/52/200667352.db2.gz RSLBJIDEYWVIKW-SFYZADRCSA-N 0 1 247.251 3.741 20 0 BHADMN CC[C@H](N[C@@H](C)CCCC(F)(F)F)C(F)F ZINC000449364363 383998052 /nfs/dbraw/zinc/99/80/52/383998052.db2.gz RSLBJIDEYWVIKW-YUMQZZPRSA-N 0 1 247.251 3.741 20 0 BHADMN CC[C@@H](N[C@@H]1CCCC(C)(C)C1)C(F)F ZINC000449364626 388183706 /nfs/dbraw/zinc/18/37/06/388183706.db2.gz STBHDJMBLIOSMO-NXEZZACHSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](N[C@H]1CCCC(C)(C)C1)C(F)F ZINC000449364627 388183658 /nfs/dbraw/zinc/18/36/58/388183658.db2.gz STBHDJMBLIOSMO-UWVGGRQHSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H](N[C@H]1CCCC(C)(C)C1)C(F)F ZINC000449364628 388183181 /nfs/dbraw/zinc/18/31/81/388183181.db2.gz STBHDJMBLIOSMO-VHSXEESVSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](N[C@@H]1CCCC(C)(C)C1)C(F)F ZINC000449364629 388183566 /nfs/dbraw/zinc/18/35/66/388183566.db2.gz STBHDJMBLIOSMO-ZJUUUORDSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](N[C@H]1CCC[C@H](C2CC2)C1)C(F)F ZINC000449366635 201887432 /nfs/dbraw/zinc/88/74/32/201887432.db2.gz ZMZWEPXDRDNKCY-SRVKXCTJSA-N 0 1 231.330 3.589 20 0 BHADMN CC[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)C(F)F ZINC000449366636 388183612 /nfs/dbraw/zinc/18/36/12/388183612.db2.gz ZMZWEPXDRDNKCY-TUAOUCFPSA-N 0 1 231.330 3.589 20 0 BHADMN CC[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)C(F)F ZINC000449366637 388183520 /nfs/dbraw/zinc/18/35/20/388183520.db2.gz ZMZWEPXDRDNKCY-UTUOFQBUSA-N 0 1 231.330 3.589 20 0 BHADMN CC[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)C(F)F ZINC000449366638 388183237 /nfs/dbraw/zinc/18/32/37/388183237.db2.gz ZMZWEPXDRDNKCY-WOPDTQHZSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@H](CN1CC2(CC2)C1)c1cccc(Cl)c1 ZINC000449370538 398292171 /nfs/dbraw/zinc/29/21/71/398292171.db2.gz KYZFNSKZIUQRTD-LLVKDONJSA-N 0 1 235.758 3.539 20 0 BHADMN C[C@@H](CN1CC2(CC2)C1)c1cccc(Cl)c1 ZINC000449370539 398292373 /nfs/dbraw/zinc/29/23/73/398292373.db2.gz KYZFNSKZIUQRTD-NSHDSACASA-N 0 1 235.758 3.539 20 0 BHADMN CC(C)(C)c1ccc(CN2CC3(CC3)C2)s1 ZINC000449370875 398292108 /nfs/dbraw/zinc/29/21/08/398292108.db2.gz NYXYFRBVOWHTHB-UHFFFAOYSA-N 0 1 235.396 3.641 20 0 BHADMN Cc1cc2cc(CN3CC4(CC4)C3)oc2cc1C ZINC000449371626 398292461 /nfs/dbraw/zinc/29/24/61/398292461.db2.gz WZZOGMQCGATLIZ-UHFFFAOYSA-N 0 1 241.334 3.645 20 0 BHADMN Cc1cc(Cl)cc(C)c1CN1CC2(CC2)C1 ZINC000449371657 398292418 /nfs/dbraw/zinc/29/24/18/398292418.db2.gz XHVZTDKSHOVEOL-UHFFFAOYSA-N 0 1 235.758 3.553 20 0 BHADMN c1cc(-c2ccccc2)oc1CN1CC2(CC2)C1 ZINC000449371719 201888852 /nfs/dbraw/zinc/88/88/52/201888852.db2.gz XZQRZWQQHKXVNZ-UHFFFAOYSA-N 0 1 239.318 3.542 20 0 BHADMN c1sc(C2CC2)nc1CNCC1=CCCCC1 ZINC000449374364 388186353 /nfs/dbraw/zinc/18/63/53/388186353.db2.gz ADPYKYNRXJWWMG-UHFFFAOYSA-N 0 1 248.395 3.611 20 0 BHADMN FCC(CF)NC1CCC2(CCCCC2)CC1 ZINC000449377903 206096671 /nfs/dbraw/zinc/09/66/71/206096671.db2.gz BVOZUNBWDXIUCY-UHFFFAOYSA-N 0 1 245.357 3.777 20 0 BHADMN C[C@H](CCC1CCCCC1)NC(CF)CF ZINC000449378723 388188387 /nfs/dbraw/zinc/18/83/87/388188387.db2.gz FTPTYEICUAETGX-LLVKDONJSA-N 0 1 233.346 3.633 20 0 BHADMN C[C@@H](CCC1CCCCC1)NC(CF)CF ZINC000449378724 388187859 /nfs/dbraw/zinc/18/78/59/388187859.db2.gz FTPTYEICUAETGX-NSHDSACASA-N 0 1 233.346 3.633 20 0 BHADMN CC(C)=CCC[C@@H](C)CCNC(CF)CF ZINC000449379556 388188139 /nfs/dbraw/zinc/18/81/39/388188139.db2.gz JDTJJVLUPKSEFF-GFCCVEGCSA-N 0 1 233.346 3.656 20 0 BHADMN CC(C)=CCC[C@H](C)CCNC(CF)CF ZINC000449379557 388188057 /nfs/dbraw/zinc/18/80/57/388188057.db2.gz JDTJJVLUPKSEFF-LBPRGKRZSA-N 0 1 233.346 3.656 20 0 BHADMN CC[C@@H](CN[C@H](C)C(C)(F)F)c1ccccc1 ZINC000449412246 388198499 /nfs/dbraw/zinc/19/84/99/388198499.db2.gz FJLLVZOUCCRAJS-NEPJUHHUSA-N 0 1 241.325 3.814 20 0 BHADMN CC[C@H](CN[C@@H](C)C(C)(F)F)c1ccccc1 ZINC000449412247 384295779 /nfs/dbraw/zinc/29/57/79/384295779.db2.gz FJLLVZOUCCRAJS-NWDGAFQWSA-N 0 1 241.325 3.814 20 0 BHADMN CC[C@@H](CN[C@@H](C)C(C)(F)F)c1ccccc1 ZINC000449412248 384296076 /nfs/dbraw/zinc/29/60/76/384296076.db2.gz FJLLVZOUCCRAJS-RYUDHWBXSA-N 0 1 241.325 3.814 20 0 BHADMN CC[C@H](CN[C@H](C)C(C)(F)F)c1ccccc1 ZINC000449412249 384294415 /nfs/dbraw/zinc/29/44/15/384294415.db2.gz FJLLVZOUCCRAJS-VXGBXAGGSA-N 0 1 241.325 3.814 20 0 BHADMN C[C@H](CC1CCCC1)N[C@H](C)C(C)(F)F ZINC000449414230 388199109 /nfs/dbraw/zinc/19/91/09/388199109.db2.gz LPOYEWWQFDCTJM-NXEZZACHSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@@H](CC1CCCC1)N[C@@H](C)C(C)(F)F ZINC000449414231 388198738 /nfs/dbraw/zinc/19/87/38/388198738.db2.gz LPOYEWWQFDCTJM-UWVGGRQHSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@@H](N[C@@H](C)CC1CCCC1)C(C)(F)F ZINC000449414232 388199132 /nfs/dbraw/zinc/19/91/32/388199132.db2.gz LPOYEWWQFDCTJM-VHSXEESVSA-N 0 1 219.319 3.589 20 0 BHADMN C[C@H](CC1CCCC1)N[C@@H](C)C(C)(F)F ZINC000449414233 388199274 /nfs/dbraw/zinc/19/92/74/388199274.db2.gz LPOYEWWQFDCTJM-ZJUUUORDSA-N 0 1 219.319 3.589 20 0 BHADMN CC(C)=CCC[C@@H](C)N[C@H](C)C(C)(F)F ZINC000449414234 388199278 /nfs/dbraw/zinc/19/92/78/388199278.db2.gz LQZVBCGLOJZROI-GHMZBOCLSA-N 0 1 219.319 3.755 20 0 BHADMN CC(C)=CCC[C@@H](C)N[C@@H](C)C(C)(F)F ZINC000449414235 388199012 /nfs/dbraw/zinc/19/90/12/388199012.db2.gz LQZVBCGLOJZROI-MNOVXSKESA-N 0 1 219.319 3.755 20 0 BHADMN CC(C)=CCC[C@H](C)N[C@@H](C)C(C)(F)F ZINC000449414236 388199300 /nfs/dbraw/zinc/19/93/00/388199300.db2.gz LQZVBCGLOJZROI-QWRGUYRKSA-N 0 1 219.319 3.755 20 0 BHADMN CC(C)=CCC[C@H](C)N[C@H](C)C(C)(F)F ZINC000449414237 388199149 /nfs/dbraw/zinc/19/91/49/388199149.db2.gz LQZVBCGLOJZROI-WDEREUQCSA-N 0 1 219.319 3.755 20 0 BHADMN C[C@@H](N[C@@H](C)[C@@H](C)c1ccccc1)C(C)(F)F ZINC000449417817 388200000 /nfs/dbraw/zinc/20/00/00/388200000.db2.gz ZWLQKRSZRKRTET-GRYCIOLGSA-N 0 1 241.325 3.812 20 0 BHADMN C[C@@H](N[C@@H](C)[C@H](C)c1ccccc1)C(C)(F)F ZINC000449417818 388199828 /nfs/dbraw/zinc/19/98/28/388199828.db2.gz ZWLQKRSZRKRTET-SDDRHHMPSA-N 0 1 241.325 3.812 20 0 BHADMN C[C@H](c1ccccc1)[C@H](C)N[C@@H](C)C(C)(F)F ZINC000449417819 388199746 /nfs/dbraw/zinc/19/97/46/388199746.db2.gz ZWLQKRSZRKRTET-SRVKXCTJSA-N 0 1 241.325 3.812 20 0 BHADMN C[C@H](N[C@@H](C)C(C)(F)F)[C@@H](C)c1ccccc1 ZINC000449417820 388200170 /nfs/dbraw/zinc/20/01/70/388200170.db2.gz ZWLQKRSZRKRTET-WOPDTQHZSA-N 0 1 241.325 3.812 20 0 BHADMN FCC1CCN(Cc2ccc(Cl)s2)CC1 ZINC000449463350 384751501 /nfs/dbraw/zinc/75/15/01/384751501.db2.gz WOZRZDKWQPOMQR-UHFFFAOYSA-N 0 1 247.766 3.583 20 0 BHADMN Cc1csc(CN[C@H](C)c2cc(C)ccn2)c1 ZINC000449480429 385008783 /nfs/dbraw/zinc/00/87/83/385008783.db2.gz OFXVWWKSFQSQGE-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1csc(CN[C@@H](C)c2cc(C)ccn2)c1 ZINC000449480430 385009836 /nfs/dbraw/zinc/00/98/36/385009836.db2.gz OFXVWWKSFQSQGE-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN Clc1ccc(C2CN(Cc3ccco3)C2)cc1 ZINC000449557388 201968486 /nfs/dbraw/zinc/96/84/86/201968486.db2.gz QOXBSLOOBCJGRV-UHFFFAOYSA-N 0 1 247.725 3.532 20 0 BHADMN CC(C)=CCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449638047 388247170 /nfs/dbraw/zinc/24/71/70/388247170.db2.gz JBMHBBYCIQINQW-AWEZNQCLSA-N 0 1 231.339 3.773 20 0 BHADMN CC(C)=CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000449638048 388247161 /nfs/dbraw/zinc/24/71/61/388247161.db2.gz JBMHBBYCIQINQW-CQSZACIVSA-N 0 1 231.339 3.773 20 0 BHADMN CC(C)N(Cc1nccs1)C1CC(C)(C)C1 ZINC000449780166 202033219 /nfs/dbraw/zinc/03/32/19/202033219.db2.gz FMGGNYYAZNGFOI-UHFFFAOYSA-N 0 1 238.400 3.542 20 0 BHADMN CC(C)N(Cc1cscn1)C1CC(C)(C)C1 ZINC000449784081 202034539 /nfs/dbraw/zinc/03/45/39/202034539.db2.gz UYLMHRKCOVDNCT-UHFFFAOYSA-N 0 1 238.400 3.542 20 0 BHADMN CC(=O)c1cccc(C[N@H+](C(C)C)C2CCC2)c1 ZINC000450569040 202201009 /nfs/dbraw/zinc/20/10/09/202201009.db2.gz PBMGJDMUVHCFME-UHFFFAOYSA-N 0 1 245.366 3.652 20 0 BHADMN FC(F)(F)C1=CCN(CC2=CCCCC2)CC1 ZINC000450617239 202213540 /nfs/dbraw/zinc/21/35/40/202213540.db2.gz CTYJIKNELIEYPV-UHFFFAOYSA-N 0 1 245.288 3.681 20 0 BHADMN c1ccc(CN(CC2=CCCCC2)C2CC2)nc1 ZINC000450639931 202220924 /nfs/dbraw/zinc/22/09/24/202220924.db2.gz BPDPMJCHOUPBLB-UHFFFAOYSA-N 0 1 242.366 3.546 20 0 BHADMN FC1=CCCN(CC/C=C/c2ccccc2)C1 ZINC000450650429 202225724 /nfs/dbraw/zinc/22/57/24/202225724.db2.gz ZKMNJQOFEFKINA-RUDMXATFSA-N 0 1 231.314 3.649 20 0 BHADMN FC1=CCCN(CC/C=C\c2ccccc2)C1 ZINC000450650442 202224903 /nfs/dbraw/zinc/22/49/03/202224903.db2.gz ZKMNJQOFEFKINA-WTKPLQERSA-N 0 1 231.314 3.649 20 0 BHADMN Cc1csc([C@@H](C)NCC2=CCCCC2)n1 ZINC000450725407 202247233 /nfs/dbraw/zinc/24/72/33/202247233.db2.gz CRQMFJZCEAPJSM-LLVKDONJSA-N 0 1 236.384 3.603 20 0 BHADMN Cc1csc([C@H](C)NCC2=CCCCC2)n1 ZINC000450725408 386643816 /nfs/dbraw/zinc/64/38/16/386643816.db2.gz CRQMFJZCEAPJSM-NSHDSACASA-N 0 1 236.384 3.603 20 0 BHADMN CC[C@@H](NCC1=CCCCC1)c1nccs1 ZINC000450726869 202247341 /nfs/dbraw/zinc/24/73/41/202247341.db2.gz LKAXMUDANUVWCZ-GFCCVEGCSA-N 0 1 236.384 3.684 20 0 BHADMN CC[C@H](NCC1=CCCCC1)c1nccs1 ZINC000450726871 411385993 /nfs/dbraw/zinc/38/59/93/411385993.db2.gz LKAXMUDANUVWCZ-LBPRGKRZSA-N 0 1 236.384 3.684 20 0 BHADMN Cc1cnc([C@@H](C)NCC2=CCCCC2)s1 ZINC000450741208 202251401 /nfs/dbraw/zinc/25/14/01/202251401.db2.gz WNKGVEYOTBMLLC-LLVKDONJSA-N 0 1 236.384 3.603 20 0 BHADMN Cc1cnc([C@H](C)NCC2=CCCCC2)s1 ZINC000450741209 202251346 /nfs/dbraw/zinc/25/13/46/202251346.db2.gz WNKGVEYOTBMLLC-NSHDSACASA-N 0 1 236.384 3.603 20 0 BHADMN C1=C(CCSc2n[nH]c(C3CC3)n2)CCCC1 ZINC000450763836 202258899 /nfs/dbraw/zinc/25/88/99/202258899.db2.gz WJELSBCHNVCDDJ-UHFFFAOYSA-N 0 1 249.383 3.665 20 0 BHADMN C1=C(CCSc2nc(C3CC3)n[nH]2)CCCC1 ZINC000450763836 202258897 /nfs/dbraw/zinc/25/88/97/202258897.db2.gz WJELSBCHNVCDDJ-UHFFFAOYSA-N 0 1 249.383 3.665 20 0 BHADMN CC(C)C[C@@H](C)Sc1n[nH]c(C(C)(C)C)n1 ZINC000450767435 202261132 /nfs/dbraw/zinc/26/11/32/202261132.db2.gz UUKZGPWURQRHBR-SECBINFHSA-N 0 1 241.404 3.629 20 0 BHADMN CC(C)C[C@@H](C)Sc1nc(C(C)(C)C)n[nH]1 ZINC000450767435 202261128 /nfs/dbraw/zinc/26/11/28/202261128.db2.gz UUKZGPWURQRHBR-SECBINFHSA-N 0 1 241.404 3.629 20 0 BHADMN CC(C)C[C@H](C)Sc1n[nH]c(C(C)(C)C)n1 ZINC000450767436 202262117 /nfs/dbraw/zinc/26/21/17/202262117.db2.gz UUKZGPWURQRHBR-VIFPVBQESA-N 0 1 241.404 3.629 20 0 BHADMN CC(C)C[C@H](C)Sc1nc(C(C)(C)C)n[nH]1 ZINC000450767436 202262113 /nfs/dbraw/zinc/26/21/13/202262113.db2.gz UUKZGPWURQRHBR-VIFPVBQESA-N 0 1 241.404 3.629 20 0 BHADMN Cc1nc2ccc(CSC3CCC3)cc2[nH]1 ZINC000450985400 202327658 /nfs/dbraw/zinc/32/76/58/202327658.db2.gz JMPRXKBLQKDTIP-UHFFFAOYSA-N 0 1 232.352 3.657 20 0 BHADMN CCc1nocc1CN(C)CCC1=CCCCC1 ZINC000451067873 202345093 /nfs/dbraw/zinc/34/50/93/202345093.db2.gz ATDANJJYULLQMY-UHFFFAOYSA-N 0 1 248.370 3.559 20 0 BHADMN C[C@]1(F)CCCN(CCCCC(F)(F)F)C1 ZINC000451117330 385658058 /nfs/dbraw/zinc/65/80/58/385658058.db2.gz UWDRVTLBUIEGIT-JTQLQIEISA-N 0 1 241.272 3.543 20 0 BHADMN C[C@@]1(F)CCCN(CCCCC(F)(F)F)C1 ZINC000451117332 385656019 /nfs/dbraw/zinc/65/60/19/385656019.db2.gz UWDRVTLBUIEGIT-SNVBAGLBSA-N 0 1 241.272 3.543 20 0 BHADMN C[C@H](c1cccc(F)c1)N1CCC[C@@](C)(F)C1 ZINC000451118625 385659648 /nfs/dbraw/zinc/65/96/48/385659648.db2.gz YMHDEIDLKDCCHG-BXUZGUMPSA-N 0 1 239.309 3.711 20 0 BHADMN C[C@@H](c1cccc(F)c1)N1CCC[C@](C)(F)C1 ZINC000451118626 385659622 /nfs/dbraw/zinc/65/96/22/385659622.db2.gz YMHDEIDLKDCCHG-FZMZJTMJSA-N 0 1 239.309 3.711 20 0 BHADMN C[C@H](c1cccc(F)c1)N1CCC[C@](C)(F)C1 ZINC000451118627 385658851 /nfs/dbraw/zinc/65/88/51/385658851.db2.gz YMHDEIDLKDCCHG-RISCZKNCSA-N 0 1 239.309 3.711 20 0 BHADMN C[C@@H](c1cccc(F)c1)N1CCC[C@@](C)(F)C1 ZINC000451118628 385659609 /nfs/dbraw/zinc/65/96/09/385659609.db2.gz YMHDEIDLKDCCHG-SMDDNHRTSA-N 0 1 239.309 3.711 20 0 BHADMN C[C@H](c1ccc(F)cc1)N1CCC[C@@](C)(F)C1 ZINC000451119633 202357243 /nfs/dbraw/zinc/35/72/43/202357243.db2.gz HFBVKFYWZTXHNJ-BXUZGUMPSA-N 0 1 239.309 3.711 20 0 BHADMN C[C@@H](c1ccc(F)cc1)N1CCC[C@](C)(F)C1 ZINC000451119634 202357767 /nfs/dbraw/zinc/35/77/67/202357767.db2.gz HFBVKFYWZTXHNJ-FZMZJTMJSA-N 0 1 239.309 3.711 20 0 BHADMN C[C@H](c1ccc(F)cc1)N1CCC[C@](C)(F)C1 ZINC000451119635 202358694 /nfs/dbraw/zinc/35/86/94/202358694.db2.gz HFBVKFYWZTXHNJ-RISCZKNCSA-N 0 1 239.309 3.711 20 0 BHADMN C[C@@H](c1ccc(F)cc1)N1CCC[C@@](C)(F)C1 ZINC000451119636 202356694 /nfs/dbraw/zinc/35/66/94/202356694.db2.gz HFBVKFYWZTXHNJ-SMDDNHRTSA-N 0 1 239.309 3.711 20 0 BHADMN c1coc([C@H]2N([C@H]3C=CCCC3)CC23CCC3)c1 ZINC000451827615 388299328 /nfs/dbraw/zinc/29/93/28/388299328.db2.gz AEEMMIKGUCNEFN-DZGCQCFKSA-N 0 1 243.350 3.915 20 0 BHADMN c1coc([C@@H]2N([C@@H]3C=CCCC3)CC23CCC3)c1 ZINC000451827617 388298868 /nfs/dbraw/zinc/29/88/68/388298868.db2.gz AEEMMIKGUCNEFN-HIFRSBDPSA-N 0 1 243.350 3.915 20 0 BHADMN c1coc([C@H]2N([C@@H]3C=CCCC3)CC23CCC3)c1 ZINC000451827619 388299269 /nfs/dbraw/zinc/29/92/69/388299269.db2.gz AEEMMIKGUCNEFN-UKRRQHHQSA-N 0 1 243.350 3.915 20 0 BHADMN c1coc([C@@H]2N([C@H]3C=CCCC3)CC23CCC3)c1 ZINC000451827622 388299098 /nfs/dbraw/zinc/29/90/98/388299098.db2.gz AEEMMIKGUCNEFN-ZFWWWQNUSA-N 0 1 243.350 3.915 20 0 BHADMN FCCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451840666 388299631 /nfs/dbraw/zinc/29/96/31/388299631.db2.gz DDSSAHSPAQWJDM-CYBMUJFWSA-N 0 1 237.318 3.556 20 0 BHADMN FCCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451840667 388299699 /nfs/dbraw/zinc/29/96/99/388299699.db2.gz DDSSAHSPAQWJDM-ZDUSSCGKSA-N 0 1 237.318 3.556 20 0 BHADMN C[C@H](F)CCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451861938 385802100 /nfs/dbraw/zinc/80/21/00/385802100.db2.gz VEPQCTJZZXXEGW-AAEUAGOBSA-N 0 1 237.318 3.555 20 0 BHADMN C[C@@H](F)CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451861942 385803295 /nfs/dbraw/zinc/80/32/95/385803295.db2.gz VEPQCTJZZXXEGW-DGCLKSJQSA-N 0 1 237.318 3.555 20 0 BHADMN C[C@H](F)CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451861946 385803184 /nfs/dbraw/zinc/80/31/84/385803184.db2.gz VEPQCTJZZXXEGW-WCQYABFASA-N 0 1 237.318 3.555 20 0 BHADMN C[C@@H](F)CCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451861947 385804610 /nfs/dbraw/zinc/80/46/10/385804610.db2.gz VEPQCTJZZXXEGW-YPMHNXCESA-N 0 1 237.318 3.555 20 0 BHADMN CC[C@@H]1CC[C@H](C)N(Cc2ncc(C3CC3)o2)C1 ZINC000451955928 387686888 /nfs/dbraw/zinc/68/68/88/387686888.db2.gz QFMGRLORBHMHFN-NWDGAFQWSA-N 0 1 248.370 3.563 20 0 BHADMN Cc1sccc1CNc1nccn1CC(C)C ZINC000453047164 387972188 /nfs/dbraw/zinc/97/21/88/387972188.db2.gz HJKBHIHUOMHGRN-UHFFFAOYSA-N 0 1 249.383 3.521 20 0 BHADMN Cc1cc(CNc2nccn2CC(C)C)cs1 ZINC000453048974 202694658 /nfs/dbraw/zinc/69/46/58/202694658.db2.gz PWVFDQRHFOQOKR-UHFFFAOYSA-N 0 1 249.383 3.521 20 0 BHADMN FC(F)(F)CCNc1ccc2cnccc2c1 ZINC000453141614 387997218 /nfs/dbraw/zinc/99/72/18/387997218.db2.gz GZBNWXHAPMWBTJ-UHFFFAOYSA-N 0 1 240.228 3.599 20 0 BHADMN C[C@@H](NC1(C(F)F)CC1)[C@@H]1CCCC[C@H]1C ZINC000453231333 388017775 /nfs/dbraw/zinc/01/77/75/388017775.db2.gz XVEUXRLISILXSH-GMTAPVOTSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@@H](NC1(C(F)F)CC1)[C@H]1CCCC[C@H]1C ZINC000453231335 388017930 /nfs/dbraw/zinc/01/79/30/388017930.db2.gz XVEUXRLISILXSH-MXWKQRLJSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@H](NC1(C(F)F)CC1)[C@@H]1CCCC[C@H]1C ZINC000453231336 388018116 /nfs/dbraw/zinc/01/81/16/388018116.db2.gz XVEUXRLISILXSH-OUAUKWLOSA-N 0 1 231.330 3.589 20 0 BHADMN C[C@H](NC1(C(F)F)CC1)[C@H]1CCCC[C@H]1C ZINC000453231338 388017451 /nfs/dbraw/zinc/01/74/51/388017451.db2.gz XVEUXRLISILXSH-VWYCJHECSA-N 0 1 231.330 3.589 20 0 BHADMN CC[C@@H](N[C@@H](C)C1CCCCC1)C(F)F ZINC000453233171 388019386 /nfs/dbraw/zinc/01/93/86/388019386.db2.gz HHDQQKUWFHYFLI-GXSJLCMTSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](N[C@H](C)C1CCCCC1)C(F)F ZINC000453233172 388019318 /nfs/dbraw/zinc/01/93/18/388019318.db2.gz HHDQQKUWFHYFLI-KOLCDFICSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H](N[C@H](C)C1CCCCC1)C(F)F ZINC000453233173 388018988 /nfs/dbraw/zinc/01/89/88/388018988.db2.gz HHDQQKUWFHYFLI-MWLCHTKSSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](N[C@@H](C)C1CCCCC1)C(F)F ZINC000453233174 388019419 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CC(C)[C@@H]1CCN1Cc1cc(F)cc(Cl)c1 ZINC000485709531 528704148 /nfs/dbraw/zinc/70/41/48/528704148.db2.gz KSKINCXZEMPKTJ-ZDUSSCGKSA-N 0 1 241.737 3.709 20 0 BHADMN CCCCC[C@H]1CCCN1Cc1cc(C)on1 ZINC000486800117 528274549 /nfs/dbraw/zinc/27/45/49/528274549.db2.gz HZCDGWXGWBYKIE-AWEZNQCLSA-N 0 1 236.359 3.528 20 0 BHADMN CCCCC[C@@H]1CCCN1Cc1cc(C)on1 ZINC000486800123 528262376 /nfs/dbraw/zinc/26/23/76/528262376.db2.gz HZCDGWXGWBYKIE-CQSZACIVSA-N 0 1 236.359 3.528 20 0 BHADMN Clc1ccc(Cl)c(CCN2CCCC2)c1 ZINC000486815456 534639765 /nfs/dbraw/zinc/63/97/65/534639765.db2.gz NRGQNPZWHJMHAZ-UHFFFAOYSA-N 0 1 244.165 3.632 20 0 BHADMN Cc1nc(SC(C)C)[nH]c1-c1ccccc1 ZINC000488224951 534525162 /nfs/dbraw/zinc/52/51/62/534525162.db2.gz CGFPWOOFGBUIMY-UHFFFAOYSA-N 0 1 232.352 3.886 20 0 BHADMN Cc1nc(SCC2CC2)[nH]c1-c1ccccc1 ZINC000488235518 534529588 /nfs/dbraw/zinc/52/95/88/534529588.db2.gz OZEYFYHTDUKUKY-UHFFFAOYSA-N 0 1 244.363 3.887 20 0 BHADMN Cc1ccc(SCc2n[nH]c(C(C)C)n2)cc1 ZINC000488250292 225357035 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AQURMLQBJLDJOG-SNVBAGLBSA-N 0 1 241.404 3.740 20 0 BHADMN CCCSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000488284857 528831840 /nfs/dbraw/zinc/83/18/40/528831840.db2.gz WPKDTZZIYZSBKL-UHFFFAOYSA-N 0 1 232.352 3.887 20 0 BHADMN C[C@H](c1c(F)cccc1F)N(C)C[C@H]1C[C@H]1C ZINC000488288072 225361752 /nfs/dbraw/zinc/36/17/52/225361752.db2.gz DAFZZPQGHOBSNS-GMTAPVOTSA-N 0 1 239.309 3.614 20 0 BHADMN C[C@H](c1c(F)cccc1F)N(C)C[C@@H]1C[C@H]1C ZINC000488288076 225361034 /nfs/dbraw/zinc/36/10/34/225361034.db2.gz DAFZZPQGHOBSNS-MXWKQRLJSA-N 0 1 239.309 3.614 20 0 BHADMN C[C@@H](c1c(F)cccc1F)N(C)C[C@H]1C[C@H]1C ZINC000488288078 534039799 /nfs/dbraw/zinc/03/97/99/534039799.db2.gz DAFZZPQGHOBSNS-OUAUKWLOSA-N 0 1 239.309 3.614 20 0 BHADMN C[C@@H](c1c(F)cccc1F)N(C)C[C@@H]1C[C@H]1C ZINC000488288080 534041455 /nfs/dbraw/zinc/04/14/55/534041455.db2.gz DAFZZPQGHOBSNS-VWYCJHECSA-N 0 1 239.309 3.614 20 0 BHADMN C[C@@H]1C[C@@H]1CN(C)Cc1c(F)cccc1Cl ZINC000488308083 533714811 /nfs/dbraw/zinc/71/48/11/533714811.db2.gz BJBPYQOAQWEVHS-NXEZZACHSA-N 0 1 241.737 3.567 20 0 BHADMN C[C@H]1C[C@H]1CN(C)Cc1c(F)cccc1Cl ZINC000488308086 225367539 /nfs/dbraw/zinc/36/75/39/225367539.db2.gz BJBPYQOAQWEVHS-UWVGGRQHSA-N 0 1 241.737 3.567 20 0 BHADMN C[C@H]1C[C@@H]1CN(C)Cc1c(F)cccc1Cl ZINC000488308088 225366824 /nfs/dbraw/zinc/36/68/24/225366824.db2.gz BJBPYQOAQWEVHS-VHSXEESVSA-N 0 1 241.737 3.567 20 0 BHADMN C[C@@H]1C[C@H]1CN(C)Cc1c(F)cccc1Cl ZINC000488308090 534018946 /nfs/dbraw/zinc/01/89/46/534018946.db2.gz BJBPYQOAQWEVHS-ZJUUUORDSA-N 0 1 241.737 3.567 20 0 BHADMN C[C@@H]1C[C@@H]1CN(Cc1ccco1)Cc1ccco1 ZINC000488358571 533716889 /nfs/dbraw/zinc/71/68/89/533716889.db2.gz RINMHBMOVBVRMU-CHWSQXEVSA-N 0 1 245.322 3.531 20 0 BHADMN C[C@@H]1C[C@H]1CN(Cc1ccco1)Cc1ccco1 ZINC000488358572 534019565 /nfs/dbraw/zinc/01/95/65/534019565.db2.gz RINMHBMOVBVRMU-OLZOCXBDSA-N 0 1 245.322 3.531 20 0 BHADMN C[C@H]1C[C@@H]1CN(Cc1ccco1)Cc1ccco1 ZINC000488358573 225388133 /nfs/dbraw/zinc/38/81/33/225388133.db2.gz RINMHBMOVBVRMU-QWHCGFSZSA-N 0 1 245.322 3.531 20 0 BHADMN C[C@H]1C[C@H]1CN(Cc1ccco1)Cc1ccco1 ZINC000488358574 225387611 /nfs/dbraw/zinc/38/76/11/225387611.db2.gz RINMHBMOVBVRMU-STQMWFEESA-N 0 1 245.322 3.531 20 0 BHADMN Cc1ccoc1CN(C)Cc1ccc(F)cc1C ZINC000488551088 388187087 /nfs/dbraw/zinc/18/70/87/388187087.db2.gz ZXRHLCMETLHXSR-UHFFFAOYSA-N 0 1 247.313 3.668 20 0 BHADMN CCCN(CC)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000488789690 388195173 /nfs/dbraw/zinc/19/51/73/388195173.db2.gz FATIHADILCYYQJ-LLVKDONJSA-N 0 1 238.375 3.765 20 0 BHADMN CCCN(CC)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000488789691 388194792 /nfs/dbraw/zinc/19/47/92/388194792.db2.gz FATIHADILCYYQJ-NSHDSACASA-N 0 1 238.375 3.765 20 0 BHADMN CN(Cc1nc2ccccc2s1)[C@@H]1CC1(C)C ZINC000489432342 388213391 /nfs/dbraw/zinc/21/33/91/388213391.db2.gz UNFQRPGFQGSLJU-GFCCVEGCSA-N 0 1 246.379 3.527 20 0 BHADMN C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CC1(C)C ZINC000489432342 388213388 /nfs/dbraw/zinc/21/33/88/388213388.db2.gz UNFQRPGFQGSLJU-GFCCVEGCSA-N 0 1 246.379 3.527 20 0 BHADMN CN(Cc1nc2ccccc2s1)[C@H]1CC1(C)C ZINC000489432345 388214154 /nfs/dbraw/zinc/21/41/54/388214154.db2.gz UNFQRPGFQGSLJU-LBPRGKRZSA-N 0 1 246.379 3.527 20 0 BHADMN C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CC1(C)C ZINC000489432345 388214152 /nfs/dbraw/zinc/21/41/52/388214152.db2.gz UNFQRPGFQGSLJU-LBPRGKRZSA-N 0 1 246.379 3.527 20 0 BHADMN CSc1ccccc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489437533 388213143 /nfs/dbraw/zinc/21/31/43/388213143.db2.gz NEVBPVHGZURATK-CYBMUJFWSA-N 0 1 235.396 3.639 20 0 BHADMN CSc1ccccc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000489437534 388213259 /nfs/dbraw/zinc/21/32/59/388213259.db2.gz NEVBPVHGZURATK-ZDUSSCGKSA-N 0 1 235.396 3.639 20 0 BHADMN CCN(CC1CC1)[C@@H](C)c1c(F)cccc1F ZINC000489455994 388216544 /nfs/dbraw/zinc/21/65/44/388216544.db2.gz JZXAIHHGAOGRJY-JTQLQIEISA-N 0 1 239.309 3.758 20 0 BHADMN CCN(CC1CC1)[C@H](C)c1c(F)cccc1F ZINC000489455995 388216221 /nfs/dbraw/zinc/21/62/21/388216221.db2.gz JZXAIHHGAOGRJY-SNVBAGLBSA-N 0 1 239.309 3.758 20 0 BHADMN CN(Cc1ncc(Cl)s1)C1(C)CCCC1 ZINC000489870103 388226924 /nfs/dbraw/zinc/22/69/24/388226924.db2.gz INYMNQLDOAXQJB-UHFFFAOYSA-N 0 1 244.791 3.561 20 0 BHADMN CN(Cc1c(F)cccc1F)C1(C)CCCC1 ZINC000489870684 388226757 /nfs/dbraw/zinc/22/67/57/388226757.db2.gz JIMNLXCQGCICMO-UHFFFAOYSA-N 0 1 239.309 3.729 20 0 BHADMN Cc1nc(C[N@H+](C)C2(C)CCCC2)c(C)s1 ZINC000490166553 388236515 /nfs/dbraw/zinc/23/65/15/388236515.db2.gz YTEPLWOAZKCSFS-UHFFFAOYSA-N 0 1 238.400 3.524 20 0 BHADMN Cc1ccc(F)cc1CN(C)Cc1cccs1 ZINC000491107022 388270112 /nfs/dbraw/zinc/27/01/12/388270112.db2.gz DHRSVTYKKITKPN-UHFFFAOYSA-N 0 1 249.354 3.828 20 0 BHADMN Cc1ccoc1CNC/C=C\c1ccc(F)cc1 ZINC000491421703 388293135 /nfs/dbraw/zinc/29/31/35/388293135.db2.gz ZHTLWCFEEQNWCF-IHWYPQMZSA-N 0 1 245.297 3.530 20 0 BHADMN Cc1ccoc1CNC/C=C/c1ccc(F)cc1 ZINC000491421708 388293459 /nfs/dbraw/zinc/29/34/59/388293459.db2.gz ZHTLWCFEEQNWCF-NSCUHMNNSA-N 0 1 245.297 3.530 20 0 BHADMN CCCc1cccc(CNCc2occc2C)c1 ZINC000491488607 385000700 /nfs/dbraw/zinc/00/07/00/385000700.db2.gz WZGBKTDXAFTETD-UHFFFAOYSA-N 0 1 243.350 3.830 20 0 BHADMN Cc1ccoc1CNCc1ccc2occc2c1 ZINC000491512180 398045123 /nfs/dbraw/zinc/04/51/23/398045123.db2.gz MUSWIOLFFNDRJO-UHFFFAOYSA-N 0 1 241.290 3.624 20 0 BHADMN CC(C)(NCc1ccccc1)c1ccccc1F ZINC000492443218 527295799 /nfs/dbraw/zinc/29/57/99/527295799.db2.gz RBTQTUXUFHHGKP-UHFFFAOYSA-N 0 1 243.325 3.851 20 0 BHADMN FC1=CCCN(CCC2CCCCC2)C1 ZINC000492727174 226042763 /nfs/dbraw/zinc/04/27/63/226042763.db2.gz GQRXJMLGSNKVTR-UHFFFAOYSA-N 0 1 211.324 3.516 20 0 BHADMN C[C@H](CCc1ccccc1)N1CCC=C(F)C1 ZINC000492973962 533992755 /nfs/dbraw/zinc/99/27/55/533992755.db2.gz VFFPCOSJEFBXKD-CYBMUJFWSA-N 0 1 233.330 3.567 20 0 BHADMN C[C@@H](CCc1ccccc1)N1CCC=C(F)C1 ZINC000492973963 533673935 /nfs/dbraw/zinc/67/39/35/533673935.db2.gz VFFPCOSJEFBXKD-ZDUSSCGKSA-N 0 1 233.330 3.567 20 0 BHADMN Clc1csc(CN2CCC23CCC3)c1 ZINC000494982166 226273624 /nfs/dbraw/zinc/27/36/24/226273624.db2.gz VKIAWIBNHZTEHH-UHFFFAOYSA-N 0 1 227.760 3.530 20 0 BHADMN CC(C)[C@H]1CCN1Cc1cc(Cl)cs1 ZINC000495035663 527805861 /nfs/dbraw/zinc/80/58/61/527805861.db2.gz JRURLDQVUYLTRW-LLVKDONJSA-N 0 1 229.776 3.632 20 0 BHADMN CC(C)[C@@H]1CCN1Cc1cc(Cl)cs1 ZINC000495035664 528704333 /nfs/dbraw/zinc/70/43/33/528704333.db2.gz JRURLDQVUYLTRW-NSHDSACASA-N 0 1 229.776 3.632 20 0 BHADMN CC(C)[C@@H]1CCN1Cc1sccc1Cl ZINC000495036037 528704338 /nfs/dbraw/zinc/70/43/38/528704338.db2.gz KZWXQLYNFPYSOQ-JTQLQIEISA-N 0 1 229.776 3.632 20 0 BHADMN CC(C)[C@H]1CCN1Cc1sccc1Cl ZINC000495036038 527805196 /nfs/dbraw/zinc/80/51/96/527805196.db2.gz KZWXQLYNFPYSOQ-SNVBAGLBSA-N 0 1 229.776 3.632 20 0 BHADMN CC1CCN(Cc2cc(Cl)cs2)CC1 ZINC000495072154 528256039 /nfs/dbraw/zinc/25/60/39/528256039.db2.gz CMURBVZMNIMTCV-UHFFFAOYSA-N 0 1 229.776 3.633 20 0 BHADMN CC1CCN(Cc2sccc2Cl)CC1 ZINC000495075257 528256544 /nfs/dbraw/zinc/25/65/44/528256544.db2.gz PPYDPENLFWUHCN-UHFFFAOYSA-N 0 1 229.776 3.633 20 0 BHADMN C[C@H](c1ccc(F)cc1F)N1CCC(C)CC1 ZINC000497590869 259385842 /nfs/dbraw/zinc/38/58/42/259385842.db2.gz PILSUFNTDPSTIP-LLVKDONJSA-N 0 1 239.309 3.758 20 0 BHADMN CC[C@H](C)N[C@@H](CCc1ccccc1)C(F)F ZINC000499150398 529181921 /nfs/dbraw/zinc/18/19/21/529181921.db2.gz WMXFBDFDAQNKDK-AAEUAGOBSA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@@H](C)N[C@H](CCc1ccccc1)C(F)F ZINC000499150405 529375587 /nfs/dbraw/zinc/37/55/87/529375587.db2.gz WMXFBDFDAQNKDK-DGCLKSJQSA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@H](C)N[C@H](CCc1ccccc1)C(F)F ZINC000499150406 529182253 /nfs/dbraw/zinc/18/22/53/529182253.db2.gz WMXFBDFDAQNKDK-WCQYABFASA-N 0 1 241.325 3.641 20 0 BHADMN CC[C@@H](C)N[C@@H](CCc1ccccc1)C(F)F ZINC000499150409 529374847 /nfs/dbraw/zinc/37/48/47/529374847.db2.gz WMXFBDFDAQNKDK-YPMHNXCESA-N 0 1 241.325 3.641 20 0 BHADMN Cc1nccc(N2CC[C@@H](C(C)C)C2)c1Cl ZINC000499154457 226323607 /nfs/dbraw/zinc/32/36/07/226323607.db2.gz UODMETVBJRQHJY-LLVKDONJSA-N 0 1 238.762 3.526 20 0 BHADMN Cc1nccc(N2CC[C@H](C(C)C)C2)c1Cl ZINC000499154458 226323452 /nfs/dbraw/zinc/32/34/52/226323452.db2.gz UODMETVBJRQHJY-NSHDSACASA-N 0 1 238.762 3.526 20 0 BHADMN CCC[C@H](C)N1CCc2c(F)cc(F)cc2C1 ZINC000500069604 528051930 /nfs/dbraw/zinc/05/19/30/528051930.db2.gz IOAXZCGFRBMJMF-JTQLQIEISA-N 0 1 239.309 3.512 20 0 BHADMN CCC[C@@H](C)N1CCc2c(F)cc(F)cc2C1 ZINC000500069605 528891730 /nfs/dbraw/zinc/89/17/30/528891730.db2.gz IOAXZCGFRBMJMF-SNVBAGLBSA-N 0 1 239.309 3.512 20 0 BHADMN CCC[C@H](C)N1CCc2ccc(F)c(F)c2C1 ZINC000500087641 528051554 /nfs/dbraw/zinc/05/15/54/528051554.db2.gz CJGWWXUUOLHPSX-JTQLQIEISA-N 0 1 239.309 3.512 20 0 BHADMN CCC[C@@H](C)N1CCc2ccc(F)c(F)c2C1 ZINC000500087642 528891696 /nfs/dbraw/zinc/89/16/96/528891696.db2.gz CJGWWXUUOLHPSX-SNVBAGLBSA-N 0 1 239.309 3.512 20 0 BHADMN CCC[C@H](C)N1CCc2c(F)ccc(F)c2C1 ZINC000500118169 528052297 /nfs/dbraw/zinc/05/22/97/528052297.db2.gz SLFSTGAUSOYLGZ-JTQLQIEISA-N 0 1 239.309 3.512 20 0 BHADMN CCC[C@@H](C)N1CCc2c(F)ccc(F)c2C1 ZINC000500118170 528890862 /nfs/dbraw/zinc/89/08/62/528890862.db2.gz SLFSTGAUSOYLGZ-SNVBAGLBSA-N 0 1 239.309 3.512 20 0 BHADMN CC[C@@H](C)CN(C)c1ccnc2cc(F)ccc21 ZINC000500413734 529315001 /nfs/dbraw/zinc/31/50/01/529315001.db2.gz ZCCJNCFDRFFKFE-LLVKDONJSA-N 0 1 246.329 3.856 20 0 BHADMN CC[C@H](C)CN(C)c1ccnc2cc(F)ccc21 ZINC000500413750 529651693 /nfs/dbraw/zinc/65/16/93/529651693.db2.gz ZCCJNCFDRFFKFE-NSHDSACASA-N 0 1 246.329 3.856 20 0 BHADMN C[C@H]1CCC[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000500429377 534180525 /nfs/dbraw/zinc/18/05/25/534180525.db2.gz VSJHGGKWHULICB-GWCFXTLKSA-N 0 1 244.313 3.974 20 0 BHADMN C[C@H]1CCC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000500429378 226325760 /nfs/dbraw/zinc/32/57/60/226325760.db2.gz VSJHGGKWHULICB-GXFFZTMASA-N 0 1 244.313 3.974 20 0 BHADMN C[C@@H]1CCC[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000500429379 533793723 /nfs/dbraw/zinc/79/37/23/533793723.db2.gz VSJHGGKWHULICB-MFKMUULPSA-N 0 1 244.313 3.974 20 0 BHADMN C[C@@H]1CCC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000500429380 226325603 /nfs/dbraw/zinc/32/56/03/226325603.db2.gz VSJHGGKWHULICB-ZWNOBZJWSA-N 0 1 244.313 3.974 20 0 BHADMN CCC[C@@H](C)N(C)c1ccnc2cc(F)ccc21 ZINC000500439146 528888490 /nfs/dbraw/zinc/88/84/90/528888490.db2.gz GCUZHBKZELBYIF-LLVKDONJSA-N 0 1 246.329 3.999 20 0 BHADMN CCC[C@H](C)N(C)c1ccnc2cc(F)ccc21 ZINC000500439148 528049222 /nfs/dbraw/zinc/04/92/22/528049222.db2.gz GCUZHBKZELBYIF-NSHDSACASA-N 0 1 246.329 3.999 20 0 BHADMN Fc1ccc2c(c1)nccc2NCC1CCCC1 ZINC000500455379 534505187 /nfs/dbraw/zinc/50/51/87/534505187.db2.gz GOURTLRYIOJAOK-UHFFFAOYSA-N 0 1 244.313 3.976 20 0 BHADMN CN(CC(C)(C)C)c1ccnc2cc(F)ccc21 ZINC000500461768 529844188 /nfs/dbraw/zinc/84/41/88/529844188.db2.gz YIFLLEVFVWUAOK-UHFFFAOYSA-N 0 1 246.329 3.856 20 0 BHADMN CC(C)(C)CNc1ccnc2cc(F)ccc21 ZINC000500463708 527689336 /nfs/dbraw/zinc/68/93/36/527689336.db2.gz FPRDJUXAGAHLRN-UHFFFAOYSA-N 0 1 232.302 3.832 20 0 BHADMN CCCCN(C)c1ccnc2cc(F)ccc21 ZINC000500477984 528374553 /nfs/dbraw/zinc/37/45/53/528374553.db2.gz DGRKSSFYHXBOFR-UHFFFAOYSA-N 0 1 232.302 3.610 20 0 BHADMN CCCCCNc1ccnc2cc(F)ccc21 ZINC000500489563 528216825 /nfs/dbraw/zinc/21/68/25/528216825.db2.gz LVBIUWPUESICOV-UHFFFAOYSA-N 0 1 232.302 3.976 20 0 BHADMN CCC(CC)Nc1ccnc2cc(F)ccc21 ZINC000500495070 528805758 /nfs/dbraw/zinc/80/57/58/528805758.db2.gz ALIFUENAIJWPDL-UHFFFAOYSA-N 0 1 232.302 3.974 20 0 BHADMN CC(C)CCNc1ccnc2cc(F)ccc21 ZINC000500504816 527743841 /nfs/dbraw/zinc/74/38/41/527743841.db2.gz VLNOOFHIXUGIAL-UHFFFAOYSA-N 0 1 232.302 3.832 20 0 BHADMN CC[C@@H](C)N(C)Cc1c(F)cccc1Cl ZINC000500949674 529344588 /nfs/dbraw/zinc/34/45/88/529344588.db2.gz CGLZANHTAJMXSQ-SECBINFHSA-N 0 1 229.726 3.709 20 0 BHADMN CC[C@H](C)N(C)Cc1c(F)cccc1Cl ZINC000500949677 529691253 /nfs/dbraw/zinc/69/12/53/529691253.db2.gz CGLZANHTAJMXSQ-VIFPVBQESA-N 0 1 229.726 3.709 20 0 BHADMN CC[C@@H](c1ccc(F)cc1)N1CC[C@](C)(F)C1 ZINC000501424853 529255292 /nfs/dbraw/zinc/25/52/92/529255292.db2.gz QGXHAVGYTHVTQG-KBPBESRZSA-N 0 1 239.309 3.711 20 0 BHADMN CC[C@H](c1ccc(F)cc1)N1CC[C@](C)(F)C1 ZINC000501424855 529179955 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CCc1ccc(CN(C)Cc2cccs2)o1 ZINC000505554330 529636163 /nfs/dbraw/zinc/63/61/63/529636163.db2.gz XOMLJLRCQLDUDF-UHFFFAOYSA-N 0 1 235.352 3.536 20 0 BHADMN Cc1ccccc1CN(C)Cc1ccc(Cl)o1 ZINC000505581602 226357221 /nfs/dbraw/zinc/35/72/21/226357221.db2.gz JVAMMNFBRKOTMS-UHFFFAOYSA-N 0 1 249.741 3.873 20 0 BHADMN Cc1ccc(CN(C)Cc2cccs2)cc1F ZINC000505592814 533876968 /nfs/dbraw/zinc/87/69/68/533876968.db2.gz ZXJCKYQMKIBWAX-UHFFFAOYSA-N 0 1 249.354 3.828 20 0 BHADMN CCc1ccc(CN(C)Cc2ccc(C)o2)cc1 ZINC000505595085 529636614 /nfs/dbraw/zinc/63/66/14/529636614.db2.gz AQOHIXXTFVNGMT-UHFFFAOYSA-N 0 1 243.350 3.782 20 0 BHADMN Cc1ccc(CN(C)Cc2ccc(Cl)o2)cc1 ZINC000505596482 533876173 /nfs/dbraw/zinc/87/61/73/533876173.db2.gz KTNXGXSVCSUJJK-UHFFFAOYSA-N 0 1 249.741 3.873 20 0 BHADMN CN(Cc1ccsc1)Cc1cccc(F)c1 ZINC000505609306 530013838 /nfs/dbraw/zinc/01/38/38/530013838.db2.gz NCTZEEJMDBTPIQ-UHFFFAOYSA-N 0 1 235.327 3.519 20 0 BHADMN CCc1ccc(CN(C)Cc2ccccc2C)o1 ZINC000505609490 529635990 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323268175 /nfs/dbraw/zinc/26/81/75/323268175.db2.gz TXUYQFDQQLJZDU-SNVBAGLBSA-N 0 1 240.416 3.572 20 0 BHADMN CCC[N@@H+](C)[C@H](CC)c1ccc(F)cc1F ZINC000532512598 323272456 /nfs/dbraw/zinc/27/24/56/323272456.db2.gz SNBMIRJLWBIGSZ-CYBMUJFWSA-N 0 1 227.298 3.758 20 0 BHADMN CCC[N@@H+](C)[C@@H](CC)c1ccc(F)cc1F ZINC000532512601 323272485 /nfs/dbraw/zinc/27/24/85/323272485.db2.gz SNBMIRJLWBIGSZ-ZDUSSCGKSA-N 0 1 227.298 3.758 20 0 BHADMN C[C@H](N(C)Cc1ccncc1Cl)C(C)(C)C ZINC000532929655 323398378 /nfs/dbraw/zinc/39/83/78/323398378.db2.gz YJTIVMAVVRJYTL-JTQLQIEISA-N 0 1 240.778 3.601 20 0 BHADMN C[C@@H](N(C)Cc1ccncc1Cl)C(C)(C)C ZINC000532929656 323398160 /nfs/dbraw/zinc/39/81/60/323398160.db2.gz YJTIVMAVVRJYTL-SNVBAGLBSA-N 0 1 240.778 3.601 20 0 BHADMN CCC(CC)n1ccc(CN(C)C2CCCC2)n1 ZINC000533003169 387921129 /nfs/dbraw/zinc/92/11/29/387921129.db2.gz ZKSSSWRGCHUDJQ-UHFFFAOYSA-N 0 1 249.402 3.619 20 0 BHADMN C[C@H](c1cccc(F)c1)N(C)CCC(F)(F)F ZINC000533034621 387925393 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3.574 20 0 BHADMN C[C@@H](NC1(c2ccccc2)CC1)c1ccoc1 ZINC000540722945 388815139 /nfs/dbraw/zinc/81/51/39/388815139.db2.gz DEWWNBGLTIHZKZ-GFCCVEGCSA-N 0 1 227.307 3.620 20 0 BHADMN C[C@H](NC1(c2ccccc2)CC1)c1ccoc1 ZINC000540722946 388815338 /nfs/dbraw/zinc/81/53/38/388815338.db2.gz DEWWNBGLTIHZKZ-LBPRGKRZSA-N 0 1 227.307 3.620 20 0 BHADMN CCc1ccc(CNC/C=C/c2ccccc2)o1 ZINC000540870446 324923168 /nfs/dbraw/zinc/92/31/68/324923168.db2.gz HJMTWDIXGBMXQU-RMKNXTFCSA-N 0 1 241.334 3.645 20 0 BHADMN CCc1ccc(CNC/C=C\c2ccccc2)o1 ZINC000540870447 324923055 /nfs/dbraw/zinc/92/30/55/324923055.db2.gz HJMTWDIXGBMXQU-TWGQIWQCSA-N 0 1 241.334 3.645 20 0 BHADMN C[C@H](CN1Cc2ccccc2[C@H]1C)C(F)(F)F ZINC000541203429 388845066 /nfs/dbraw/zinc/84/50/66/388845066.db2.gz XJJXFPDTBKKDIS-NXEZZACHSA-N 0 1 243.272 3.762 20 0 BHADMN C[C@@H](CN1Cc2ccccc2[C@@H]1C)C(F)(F)F ZINC000541203430 388844210 /nfs/dbraw/zinc/84/42/10/388844210.db2.gz XJJXFPDTBKKDIS-UWVGGRQHSA-N 0 1 243.272 3.762 20 0 BHADMN C[C@@H](CN1Cc2ccccc2[C@H]1C)C(F)(F)F ZINC000541203431 388844950 /nfs/dbraw/zinc/84/49/50/388844950.db2.gz XJJXFPDTBKKDIS-VHSXEESVSA-N 0 1 243.272 3.762 20 0 BHADMN C[C@H](CN1Cc2ccccc2[C@@H]1C)C(F)(F)F ZINC000541203432 388845079 /nfs/dbraw/zinc/84/50/79/388845079.db2.gz XJJXFPDTBKKDIS-ZJUUUORDSA-N 0 1 243.272 3.762 20 0 BHADMN CC[C@@H](Nc1ccc2c(c1)nc(C)n2C)C(C)C ZINC000541240084 388846414 /nfs/dbraw/zinc/84/64/14/388846414.db2.gz WHYAXKYMDCRMRD-CYBMUJFWSA-N 0 1 245.370 3.728 20 0 BHADMN CC[C@H](Nc1ccc2c(c1)nc(C)n2C)C(C)C ZINC000541240085 324951765 /nfs/dbraw/zinc/95/17/65/324951765.db2.gz WHYAXKYMDCRMRD-ZDUSSCGKSA-N 0 1 245.370 3.728 20 0 BHADMN CCc1cnc(CN(C)[C@@H](C)C(C)(C)C)s1 ZINC000541534650 388854813 /nfs/dbraw/zinc/85/48/13/388854813.db2.gz UHVATBVANLKIIE-JTQLQIEISA-N 0 1 240.416 3.572 20 0 BHADMN CCc1cnc(CN(C)[C@H](C)C(C)(C)C)s1 ZINC000541534654 388854194 /nfs/dbraw/zinc/85/41/94/388854194.db2.gz UHVATBVANLKIIE-SNVBAGLBSA-N 0 1 240.416 3.572 20 0 BHADMN Fc1ccc(/C=C/CN2CCC23CCC3)c(F)c1 ZINC000541769568 388866832 /nfs/dbraw/zinc/86/68/32/388866832.db2.gz BEQXYZNTAITJOP-HNQUOIGGSA-N 0 1 249.304 3.606 20 0 BHADMN Fc1ccc(/C=C\CN2CCC23CCC3)c(F)c1 ZINC000541769570 388867606 /nfs/dbraw/zinc/86/76/06/388867606.db2.gz BEQXYZNTAITJOP-IWQZZHSRSA-N 0 1 249.304 3.606 20 0 BHADMN Cc1cc(CN2CCC2(C)C)ccc1Cl ZINC000541886497 323160982 /nfs/dbraw/zinc/16/09/82/323160982.db2.gz AYOVYJGVHLJZIH-UHFFFAOYSA-N 0 1 223.747 3.633 20 0 BHADMN Cc1occc1C[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000542150319 325010682 /nfs/dbraw/zinc/01/06/82/325010682.db2.gz DETFTIWDRCHDCR-LLVKDONJSA-N 0 1 249.379 3.713 20 0 BHADMN Cc1occc1C[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000542150320 325010653 /nfs/dbraw/zinc/01/06/53/325010653.db2.gz DETFTIWDRCHDCR-NSHDSACASA-N 0 1 249.379 3.713 20 0 BHADMN CC(C)c1ccc([C@H](C)Sc2c[nH]nn2)cc1 ZINC000542215155 325015803 /nfs/dbraw/zinc/01/58/03/325015803.db2.gz XLCBUPJZBKZIOB-JTQLQIEISA-N 0 1 247.367 3.781 20 0 BHADMN CC(C)c1ccc([C@@H](C)Sc2c[nH]nn2)cc1 ZINC000542215157 325015562 /nfs/dbraw/zinc/01/55/62/325015562.db2.gz XLCBUPJZBKZIOB-SNVBAGLBSA-N 0 1 247.367 3.781 20 0 BHADMN C[C@H](NCC[C@@H]1CCC[C@@H](C)C1)c1ccon1 ZINC000542647364 325038902 /nfs/dbraw/zinc/03/89/02/325038902.db2.gz DPIDWXUXGGENQS-AGIUHOORSA-N 0 1 236.359 3.542 20 0 BHADMN C[C@H](NCC[C@H]1CCC[C@@H](C)C1)c1ccon1 ZINC000542647370 325038866 /nfs/dbraw/zinc/03/88/66/325038866.db2.gz DPIDWXUXGGENQS-FRRDWIJNSA-N 0 1 236.359 3.542 20 0 BHADMN C[C@@H](NCC[C@H]1CCC[C@@H](C)C1)c1ccon1 ZINC000542647372 325039109 /nfs/dbraw/zinc/03/91/09/325039109.db2.gz DPIDWXUXGGENQS-JHJVBQTASA-N 0 1 236.359 3.542 20 0 BHADMN C[C@@H](NCC[C@@H]1CCC[C@@H](C)C1)c1ccon1 ZINC000542647373 325039056 /nfs/dbraw/zinc/03/90/56/325039056.db2.gz DPIDWXUXGGENQS-UPJWGTAASA-N 0 1 236.359 3.542 20 0 BHADMN CCC(CC)(CC)CN(C)Cc1cscn1 ZINC000543079345 325070484 /nfs/dbraw/zinc/07/04/84/325070484.db2.gz HDAQZSPFRBOLPP-UHFFFAOYSA-N 0 1 240.416 3.791 20 0 BHADMN CC[C@@H](C)[C@@H](C)Nc1ccc2c(c1)nc(C)n2C ZINC000543097730 325071701 /nfs/dbraw/zinc/07/17/01/325071701.db2.gz VXKBGNNJBCLOCA-GHMZBOCLSA-N 0 1 245.370 3.728 20 0 BHADMN CC[C@@H](C)[C@H](C)Nc1ccc2c(c1)nc(C)n2C ZINC000543097731 325071797 /nfs/dbraw/zinc/07/17/97/325071797.db2.gz VXKBGNNJBCLOCA-MNOVXSKESA-N 0 1 245.370 3.728 20 0 BHADMN CC[C@H](C)[C@H](C)Nc1ccc2c(c1)nc(C)n2C ZINC000543097732 325071843 /nfs/dbraw/zinc/07/18/43/325071843.db2.gz VXKBGNNJBCLOCA-QWRGUYRKSA-N 0 1 245.370 3.728 20 0 BHADMN CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)nc(C)n2C ZINC000543097733 325071952 /nfs/dbraw/zinc/07/19/52/325071952.db2.gz VXKBGNNJBCLOCA-WDEREUQCSA-N 0 1 245.370 3.728 20 0 BHADMN Cc1ccc([C@@H](NCc2ccoc2)C2CCC2)o1 ZINC000543592988 325095956 /nfs/dbraw/zinc/09/59/56/325095956.db2.gz ZNNKPPJFISGDFW-HNNXBMFYSA-N 0 1 245.322 3.812 20 0 BHADMN Cc1ccc([C@H](NCc2ccoc2)C2CCC2)o1 ZINC000543592989 325095861 /nfs/dbraw/zinc/09/58/61/325095861.db2.gz ZNNKPPJFISGDFW-OAHLLOKOSA-N 0 1 245.322 3.812 20 0 BHADMN CC1=CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000543629541 325098656 /nfs/dbraw/zinc/09/86/56/325098656.db2.gz RIFHJPVFMJTVEL-IHWYPQMZSA-N 0 1 249.304 3.630 20 0 BHADMN CC1=CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000543629542 325098010 /nfs/dbraw/zinc/09/80/10/325098010.db2.gz RIFHJPVFMJTVEL-NSCUHMNNSA-N 0 1 249.304 3.630 20 0 BHADMN CCCC[C@@H](CC)CCN[C@H](C)c1ccon1 ZINC000543643866 325100440 /nfs/dbraw/zinc/10/04/40/325100440.db2.gz XQSNLEWQNHWQRO-CHWSQXEVSA-N 0 1 238.375 3.932 20 0 BHADMN CCCC[C@H](CC)CCN[C@H](C)c1ccon1 ZINC000543643867 325100079 /nfs/dbraw/zinc/10/00/79/325100079.db2.gz XQSNLEWQNHWQRO-OLZOCXBDSA-N 0 1 238.375 3.932 20 0 BHADMN CCCC[C@@H](CC)CCN[C@@H](C)c1ccon1 ZINC000543643868 325097855 /nfs/dbraw/zinc/09/78/55/325097855.db2.gz XQSNLEWQNHWQRO-QWHCGFSZSA-N 0 1 238.375 3.932 20 0 BHADMN CCCC[C@H](CC)CCN[C@@H](C)c1ccon1 ZINC000543643869 325098100 /nfs/dbraw/zinc/09/81/00/325098100.db2.gz XQSNLEWQNHWQRO-STQMWFEESA-N 0 1 238.375 3.932 20 0 BHADMN C[C@]1(NCc2ccco2)CCCc2ccccc21 ZINC000543749040 325108793 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WJRVYWVWVVSSAH-AOOOYVTPSA-N 0 1 243.272 3.688 20 0 BHADMN C[C@@H]1C[C@@H](C)N1Cc1ccccc1C(F)(F)F ZINC000547769451 325394802 /nfs/dbraw/zinc/39/48/02/325394802.db2.gz WJRVYWVWVVSSAH-NXEZZACHSA-N 0 1 243.272 3.688 20 0 BHADMN C[C@H]1C[C@H](C)N1Cc1ccccc1C(F)(F)F ZINC000547769452 325395012 /nfs/dbraw/zinc/39/50/12/325395012.db2.gz WJRVYWVWVVSSAH-UWVGGRQHSA-N 0 1 243.272 3.688 20 0 BHADMN C[C@@H](c1ccc(F)cc1F)N1[C@H](C)C[C@@H]1C ZINC000547769900 325394985 /nfs/dbraw/zinc/39/49/85/325394985.db2.gz ZVCKIGKLYFXZCH-AEJSXWLSSA-N 0 1 225.282 3.509 20 0 BHADMN C[C@@H](c1ccc(F)cc1F)N1[C@H](C)C[C@H]1C ZINC000547769901 325395049 /nfs/dbraw/zinc/39/50/49/325395049.db2.gz ZVCKIGKLYFXZCH-BBBLOLIVSA-N 0 1 225.282 3.509 20 0 BHADMN C[C@H](c1ccc(F)cc1F)N1[C@H](C)C[C@@H]1C ZINC000547769902 325394740 /nfs/dbraw/zinc/39/47/40/325394740.db2.gz ZVCKIGKLYFXZCH-KXUCPTDWSA-N 0 1 225.282 3.509 20 0 BHADMN C[C@H](c1ccc(F)cc1F)N1[C@H](C)C[C@H]1C ZINC000547769903 325395060 /nfs/dbraw/zinc/39/50/60/325395060.db2.gz ZVCKIGKLYFXZCH-OPRDCNLKSA-N 0 1 225.282 3.509 20 0 BHADMN C[C@@H]1C[C@H](C)N1CCc1c(F)cccc1Cl ZINC000547769958 325395121 /nfs/dbraw/zinc/39/51/21/325395121.db2.gz IQKPZEAFWYTLRU-AOOOYVTPSA-N 0 1 241.737 3.504 20 0 BHADMN C[C@@H]1C[C@@H](C)N1CCc1c(F)cccc1Cl ZINC000547769959 325395027 /nfs/dbraw/zinc/39/50/27/325395027.db2.gz IQKPZEAFWYTLRU-NXEZZACHSA-N 0 1 241.737 3.504 20 0 BHADMN C[C@H]1C[C@H](C)N1CCc1c(F)cccc1Cl ZINC000547769960 325395022 /nfs/dbraw/zinc/39/50/22/325395022.db2.gz IQKPZEAFWYTLRU-UWVGGRQHSA-N 0 1 241.737 3.504 20 0 BHADMN Cc1cc(OCCCc2ccsc2)cc(C)n1 ZINC000547814407 388487155 /nfs/dbraw/zinc/48/71/55/388487155.db2.gz ZRMPVFBKOBMYBG-UHFFFAOYSA-N 0 1 247.363 3.772 20 0 BHADMN Cc1cc(OCc2cc(F)ccc2F)cc(C)n1 ZINC000547814670 388487263 /nfs/dbraw/zinc/48/72/63/388487263.db2.gz KVYAHSVWBGOQHO-UHFFFAOYSA-N 0 1 249.260 3.556 20 0 BHADMN Cc1cc(OCc2ccc(F)c(F)c2)cc(C)n1 ZINC000547814844 388486659 /nfs/dbraw/zinc/48/66/59/388486659.db2.gz SUVLDSNDRCIRGB-UHFFFAOYSA-N 0 1 249.260 3.556 20 0 BHADMN Fc1cc(Cl)cc(CN2C3CCC2CC3)c1 ZINC000547928797 388495764 /nfs/dbraw/zinc/49/57/64/388495764.db2.gz FRSPJKKFPGMXTR-UHFFFAOYSA-N 0 1 239.721 3.606 20 0 BHADMN C[C@@H]1C[C@H](C)N1Cc1cccc(C(F)(F)F)c1 ZINC000548097763 388511980 /nfs/dbraw/zinc/51/19/80/388511980.db2.gz UOWGDJZSAFZEMJ-AOOOYVTPSA-N 0 1 243.272 3.688 20 0 BHADMN C[C@@H]1C[C@@H](C)N1Cc1cccc(C(F)(F)F)c1 ZINC000548097764 388512788 /nfs/dbraw/zinc/51/27/88/388512788.db2.gz UOWGDJZSAFZEMJ-NXEZZACHSA-N 0 1 243.272 3.688 20 0 BHADMN C[C@H]1C[C@H](C)N1Cc1cccc(C(F)(F)F)c1 ZINC000548097765 325429335 /nfs/dbraw/zinc/42/93/35/325429335.db2.gz UOWGDJZSAFZEMJ-UWVGGRQHSA-N 0 1 243.272 3.688 20 0 BHADMN Cc1ccc(CN2[C@H](C)C[C@H]2C)c(Cl)c1 ZINC000548097887 325429533 /nfs/dbraw/zinc/42/95/33/325429533.db2.gz MEGMJPIRMYPXOY-GHMZBOCLSA-N 0 1 223.747 3.631 20 0 BHADMN Cc1ccc(CN2[C@H](C)C[C@@H]2C)c(Cl)c1 ZINC000548097888 388512380 /nfs/dbraw/zinc/51/23/80/388512380.db2.gz MEGMJPIRMYPXOY-PHIMTYICSA-N 0 1 223.747 3.631 20 0 BHADMN Cc1ccc(CN2[C@@H](C)C[C@@H]2C)c(Cl)c1 ZINC000548097889 388512478 /nfs/dbraw/zinc/51/24/78/388512478.db2.gz MEGMJPIRMYPXOY-QWRGUYRKSA-N 0 1 223.747 3.631 20 0 BHADMN Cc1cc(OCc2cccc(F)c2F)cc(C)n1 ZINC000548142476 325435232 /nfs/dbraw/zinc/43/52/32/325435232.db2.gz QEOGXUDASPTALU-UHFFFAOYSA-N 0 1 249.260 3.556 20 0 BHADMN Cc1cc(OCc2ccc(F)cc2C)cc(C)n1 ZINC000548142572 388516384 /nfs/dbraw/zinc/51/63/84/388516384.db2.gz PKQCTKGGGCGEMF-UHFFFAOYSA-N 0 1 245.297 3.725 20 0 BHADMN C[C@@H](c1cc(F)ccc1F)N1[C@H](C)C[C@@H]1C ZINC000548424634 388537054 /nfs/dbraw/zinc/53/70/54/388537054.db2.gz DFGZFZKXMPSETN-AEJSXWLSSA-N 0 1 225.282 3.509 20 0 BHADMN C[C@@H](c1cc(F)ccc1F)N1[C@H](C)C[C@H]1C ZINC000548424635 388537521 /nfs/dbraw/zinc/53/75/21/388537521.db2.gz DFGZFZKXMPSETN-BBBLOLIVSA-N 0 1 225.282 3.509 20 0 BHADMN C[C@H](c1cc(F)ccc1F)N1[C@H](C)C[C@@H]1C ZINC000548424636 388537137 /nfs/dbraw/zinc/53/71/37/388537137.db2.gz DFGZFZKXMPSETN-KXUCPTDWSA-N 0 1 225.282 3.509 20 0 BHADMN C[C@H](c1cc(F)ccc1F)N1[C@H](C)C[C@H]1C ZINC000548424637 388536451 /nfs/dbraw/zinc/53/64/51/388536451.db2.gz DFGZFZKXMPSETN-OPRDCNLKSA-N 0 1 225.282 3.509 20 0 BHADMN C[C@@H]1C[C@H](C)N1Cc1cccc(C(F)F)c1 ZINC000548424962 388536258 /nfs/dbraw/zinc/53/62/58/388536258.db2.gz IVMVSILYNNSCEU-AOOOYVTPSA-N 0 1 225.282 3.607 20 0 BHADMN C[C@@H]1C[C@@H](C)N1Cc1cccc(C(F)F)c1 ZINC000548424963 388537126 /nfs/dbraw/zinc/53/71/26/388537126.db2.gz IVMVSILYNNSCEU-NXEZZACHSA-N 0 1 225.282 3.607 20 0 BHADMN C[C@H]1C[C@H](C)N1Cc1cccc(C(F)F)c1 ZINC000548424964 388536593 /nfs/dbraw/zinc/53/65/93/388536593.db2.gz IVMVSILYNNSCEU-UWVGGRQHSA-N 0 1 225.282 3.607 20 0 BHADMN C[C@@H](c1ccc(F)c(F)c1)N1[C@H](C)C[C@@H]1C ZINC000548425739 388536518 /nfs/dbraw/zinc/53/65/18/388536518.db2.gz NXVQFOUETIFPQM-AEJSXWLSSA-N 0 1 225.282 3.509 20 0 BHADMN C[C@@H](c1ccc(F)c(F)c1)N1[C@H](C)C[C@H]1C ZINC000548425740 325456652 /nfs/dbraw/zinc/45/66/52/325456652.db2.gz NXVQFOUETIFPQM-BBBLOLIVSA-N 0 1 225.282 3.509 20 0 BHADMN C[C@H](c1ccc(F)c(F)c1)N1[C@H](C)C[C@@H]1C ZINC000548425741 388537003 /nfs/dbraw/zinc/53/70/03/388537003.db2.gz NXVQFOUETIFPQM-KXUCPTDWSA-N 0 1 225.282 3.509 20 0 BHADMN C[C@H](c1ccc(F)c(F)c1)N1[C@H](C)C[C@H]1C ZINC000548425742 388536263 /nfs/dbraw/zinc/53/62/63/388536263.db2.gz NXVQFOUETIFPQM-OPRDCNLKSA-N 0 1 225.282 3.509 20 0 BHADMN Cc1cccc(NC[C@@H](C)c2ccc(F)cc2)n1 ZINC000548442221 325458443 /nfs/dbraw/zinc/45/84/43/325458443.db2.gz RHLWKPWJEULTHA-LLVKDONJSA-N 0 1 244.313 3.745 20 0 BHADMN Cc1cccc(NC[C@H](C)c2ccc(F)cc2)n1 ZINC000548442222 388539144 /nfs/dbraw/zinc/53/91/44/388539144.db2.gz RHLWKPWJEULTHA-NSHDSACASA-N 0 1 244.313 3.745 20 0 BHADMN Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1C ZINC000548484442 388543804 /nfs/dbraw/zinc/54/38/04/388543804.db2.gz PXXRHFZGQAIDKC-GFCCVEGCSA-N 0 1 221.319 3.509 20 0 BHADMN Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1C ZINC000548484443 388543737 /nfs/dbraw/zinc/54/37/37/388543737.db2.gz PXXRHFZGQAIDKC-LBPRGKRZSA-N 0 1 221.319 3.509 20 0 BHADMN CC[C@H](c1ccc(F)cc1F)N1[C@H](C)C[C@H]1C ZINC000548753262 388557098 /nfs/dbraw/zinc/55/70/98/388557098.db2.gz QXHRJSIPBZTNNA-GPCCPHFNSA-N 0 1 239.309 3.899 20 0 BHADMN CC[C@H](c1ccc(F)cc1F)N1[C@H](C)C[C@@H]1C ZINC000548753266 388556857 /nfs/dbraw/zinc/55/68/57/388556857.db2.gz QXHRJSIPBZTNNA-ISTVAULSSA-N 0 1 239.309 3.899 20 0 BHADMN CC[C@H](c1ccc(F)cc1F)N1[C@@H](C)C[C@@H]1C ZINC000548753268 388556817 /nfs/dbraw/zinc/55/68/17/388556817.db2.gz QXHRJSIPBZTNNA-PKFCDNJMSA-N 0 1 239.309 3.899 20 0 BHADMN CC[C@@H](c1ccc(F)cc1F)N1[C@H](C)C[C@@H]1C ZINC000548753270 388557720 /nfs/dbraw/zinc/55/77/20/388557720.db2.gz QXHRJSIPBZTNNA-RBZYPMLTSA-N 0 1 239.309 3.899 20 0 BHADMN CCC(C)(C)N(C)Cc1c(F)cccc1F ZINC000548756086 388557889 /nfs/dbraw/zinc/55/78/89/388557889.db2.gz KZNLTNCAHKAZPS-UHFFFAOYSA-N 0 1 227.298 3.585 20 0 BHADMN C[C@H](C1CCCCC1)N(C)Cc1cscn1 ZINC000548929637 388569571 /nfs/dbraw/zinc/56/95/71/388569571.db2.gz DBJLYHOEKRLMOA-LLVKDONJSA-N 0 1 238.400 3.544 20 0 BHADMN Clc1ccsc1CN1C2CCC1CC2 ZINC000549041795 388571123 /nfs/dbraw/zinc/57/11/23/388571123.db2.gz UTHYDXRMHMTGGJ-UHFFFAOYSA-N 0 1 227.760 3.528 20 0 BHADMN CC1=C[C@@H](C)CN(Cc2sccc2Cl)C1 ZINC000549349141 388577902 /nfs/dbraw/zinc/57/79/02/388577902.db2.gz UHORFUKRFKGIDK-SECBINFHSA-N 0 1 241.787 3.800 20 0 BHADMN CC1=C[C@H](C)CN(Cc2sccc2Cl)C1 ZINC000549349148 388577974 /nfs/dbraw/zinc/57/79/74/388577974.db2.gz UHORFUKRFKGIDK-VIFPVBQESA-N 0 1 241.787 3.800 20 0 BHADMN CCCCN(C)Cc1cccc(F)c1Cl ZINC000549750396 388589252 /nfs/dbraw/zinc/58/92/52/388589252.db2.gz CJTAYUXOQVUDLY-UHFFFAOYSA-N 0 1 229.726 3.711 20 0 BHADMN CCCN(Cc1cccc(F)c1Cl)C1CC1 ZINC000549806103 388591791 /nfs/dbraw/zinc/59/17/91/388591791.db2.gz UKXIKIAQDWKUBW-UHFFFAOYSA-N 0 1 241.737 3.854 20 0 BHADMN C[C@H](CCc1ccccc1)CNCC(C)(F)F ZINC000549865960 388593558 /nfs/dbraw/zinc/59/35/58/388593558.db2.gz IJOGWTVUKCLVPW-GFCCVEGCSA-N 0 1 241.325 3.500 20 0 BHADMN C[C@@H](CCc1ccccc1)CNCC(C)(F)F ZINC000549865961 325518021 /nfs/dbraw/zinc/51/80/21/325518021.db2.gz IJOGWTVUKCLVPW-LBPRGKRZSA-N 0 1 241.325 3.500 20 0 BHADMN CC[C@@H](c1ccc(F)cc1)N1CCC[C@H]1CF ZINC000550028089 388596675 /nfs/dbraw/zinc/59/66/75/388596675.db2.gz BJFIDMWYBCEEDK-KBPBESRZSA-N 0 1 239.309 3.711 20 0 BHADMN CC[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1CF ZINC000550028091 388596618 /nfs/dbraw/zinc/59/66/18/388596618.db2.gz BJFIDMWYBCEEDK-KGLIPLIRSA-N 0 1 239.309 3.711 20 0 BHADMN CC[C@H](c1ccc(F)cc1)N1CCC[C@H]1CF ZINC000550028093 388596304 /nfs/dbraw/zinc/59/63/04/388596304.db2.gz BJFIDMWYBCEEDK-UONOGXRCSA-N 0 1 239.309 3.711 20 0 BHADMN CC[C@H](c1ccc(F)cc1)N1CCC[C@@H]1CF ZINC000550028094 388596821 /nfs/dbraw/zinc/59/68/21/388596821.db2.gz BJFIDMWYBCEEDK-ZIAGYGMSSA-N 0 1 239.309 3.711 20 0 BHADMN FC[C@H]1CCCN1Cc1cc2ccccc2s1 ZINC000550392972 388607398 /nfs/dbraw/zinc/60/73/98/388607398.db2.gz PJZVSLQVJKXFDF-GFCCVEGCSA-N 0 1 249.354 3.835 20 0 BHADMN FC[C@@H]1CCCN1Cc1cc2ccccc2s1 ZINC000550392973 388607214 /nfs/dbraw/zinc/60/72/14/388607214.db2.gz PJZVSLQVJKXFDF-LBPRGKRZSA-N 0 1 249.354 3.835 20 0 BHADMN CC(F)(F)CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000550857616 388616659 /nfs/dbraw/zinc/61/66/59/388616659.db2.gz CHEUUCSNNUDIDE-CHWSQXEVSA-N 0 1 239.309 3.568 20 0 BHADMN CC(F)(F)CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000550857617 388616072 /nfs/dbraw/zinc/61/60/72/388616072.db2.gz CHEUUCSNNUDIDE-OLZOCXBDSA-N 0 1 239.309 3.568 20 0 BHADMN CC(F)(F)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000550857618 388616492 /nfs/dbraw/zinc/61/64/92/388616492.db2.gz CHEUUCSNNUDIDE-QWHCGFSZSA-N 0 1 239.309 3.568 20 0 BHADMN CC(F)(F)CN[C@H]1CCC[C@H]1c1ccccc1 ZINC000550857619 325541238 /nfs/dbraw/zinc/54/12/38/325541238.db2.gz CHEUUCSNNUDIDE-STQMWFEESA-N 0 1 239.309 3.568 20 0 BHADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1cc2ccccc2o1 ZINC000550931647 388617612 /nfs/dbraw/zinc/61/76/12/388617612.db2.gz SDUGQFJIBJHQKW-RTXFEEFZSA-N 0 1 247.313 3.974 20 0 BHADMN C[C@H](N[C@H]1CCC[C@H]1F)c1cc2ccccc2o1 ZINC000550931660 325543927 /nfs/dbraw/zinc/54/39/27/325543927.db2.gz SDUGQFJIBJHQKW-UHTWSYAYSA-N 0 1 247.313 3.974 20 0 BHADMN CC(C)N(C)Cc1csc(-c2ccccc2)n1 ZINC000551030205 388620656 /nfs/dbraw/zinc/62/06/56/388620656.db2.gz HSUSUIQCDPUVOL-UHFFFAOYSA-N 0 1 246.379 3.650 20 0 BHADMN CC(C)(C)CCSc1n[nH]c(C(C)(C)C)n1 ZINC000551048224 388619931 /nfs/dbraw/zinc/61/99/31/388619931.db2.gz ZQSIPCTYAPSEQE-UHFFFAOYSA-N 0 1 241.404 3.631 20 0 BHADMN CC(C)(C)CCSc1nc(C(C)(C)C)n[nH]1 ZINC000551048224 388619928 /nfs/dbraw/zinc/61/99/28/388619928.db2.gz ZQSIPCTYAPSEQE-UHFFFAOYSA-N 0 1 241.404 3.631 20 0 BHADMN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(F)c(F)c1 ZINC000551307217 388625351 /nfs/dbraw/zinc/62/53/51/388625351.db2.gz AVNOGOVPJWMMAV-DYLAAIIWSA-N 0 1 243.272 3.506 20 0 BHADMN CC(C)C(CN(C)Cc1cscn1)C(C)C ZINC000551551670 388633735 /nfs/dbraw/zinc/63/37/35/388633735.db2.gz DRVWFBCISMWLFH-UHFFFAOYSA-N 0 1 240.416 3.503 20 0 BHADMN Cc1cc(Cl)cc(CN2CCC2(C)C)c1 ZINC000552050337 388663657 /nfs/dbraw/zinc/66/36/57/388663657.db2.gz XUGNFMUMYKQNDU-UHFFFAOYSA-N 0 1 223.747 3.633 20 0 BHADMN FC1(CN2CC3(CCC3)[C@@H]2c2ccccc2)CC1 ZINC000552086058 388668874 /nfs/dbraw/zinc/66/88/74/388668874.db2.gz WHXOEVDTFZMYCT-AWEZNQCLSA-N 0 1 245.341 3.716 20 0 BHADMN FC1(CN2CC3(CCC3)[C@H]2c2ccccc2)CC1 ZINC000552086059 388668221 /nfs/dbraw/zinc/66/82/21/388668221.db2.gz WHXOEVDTFZMYCT-CQSZACIVSA-N 0 1 245.341 3.716 20 0 BHADMN CC(F)(F)CNCCCC1CCCCC1 ZINC000552111614 388670740 /nfs/dbraw/zinc/67/07/40/388670740.db2.gz KFSCEMOYBKMIOY-UHFFFAOYSA-N 0 1 219.319 3.592 20 0 BHADMN C/C(=C\c1ccccc1)CN1CCC[C@@H]1CF ZINC000552129360 388672081 /nfs/dbraw/zinc/67/20/81/388672081.db2.gz MLLHJMWLUKRXRB-NRMKIYEFSA-N 0 1 233.330 3.524 20 0 BHADMN C/C(=C\c1ccccc1)CN1CCC[C@H]1CF ZINC000552129361 388671761 /nfs/dbraw/zinc/67/17/61/388671761.db2.gz MLLHJMWLUKRXRB-VOMSXAGXSA-N 0 1 233.330 3.524 20 0 BHADMN C/C(=C/c1ccccc1)CN1CCC[C@@H]1CF ZINC000552129362 388672394 /nfs/dbraw/zinc/67/23/94/388672394.db2.gz MLLHJMWLUKRXRB-VSKPTYQZSA-N 0 1 233.330 3.524 20 0 BHADMN C/C(=C/c1ccccc1)CN1CCC[C@H]1CF ZINC000552129363 388671478 /nfs/dbraw/zinc/67/14/78/388671478.db2.gz MLLHJMWLUKRXRB-WVUXNXBLSA-N 0 1 233.330 3.524 20 0 BHADMN CC[C@H](C)[N@@H+](C)Cc1ccccc1OCC(C)C ZINC000552195921 388679989 /nfs/dbraw/zinc/67/99/89/388679989.db2.gz GVXZDYXKFIPHSU-AWEZNQCLSA-N 0 1 249.398 3.952 20 0 BHADMN CC[C@@H](C)[N@@H+](C)Cc1ccccc1OCC(C)C ZINC000552195922 388679795 /nfs/dbraw/zinc/67/97/95/388679795.db2.gz GVXZDYXKFIPHSU-CQSZACIVSA-N 0 1 249.398 3.952 20 0 BHADMN CC(F)(F)CNCCC1CCCCCC1 ZINC000552359670 388696737 /nfs/dbraw/zinc/69/67/37/388696737.db2.gz MYTMBELEZCSGHT-UHFFFAOYSA-N 0 1 219.319 3.592 20 0 BHADMN CCC(CC)[N@@H+](Cc1ncc(C)s1)C1CC1 ZINC000552812944 388737621 /nfs/dbraw/zinc/73/76/21/388737621.db2.gz MHRMRHJNZXJNPA-UHFFFAOYSA-N 0 1 238.400 3.605 20 0 BHADMN CC(C)[C@H](NCCF)c1cc2ccccc2o1 ZINC000553007650 388745149 /nfs/dbraw/zinc/74/51/49/388745149.db2.gz JQPXUZQCIBJUEU-AWEZNQCLSA-N 0 1 235.302 3.689 20 0 BHADMN CC(C)[C@@H](NCCF)c1cc2ccccc2o1 ZINC000553007651 325674146 /nfs/dbraw/zinc/67/41/46/325674146.db2.gz JQPXUZQCIBJUEU-CQSZACIVSA-N 0 1 235.302 3.689 20 0 BHADMN CC(C)=CCC[C@@H](C)Nc1ccc2n[nH]nc2c1 ZINC000553904282 388795137 /nfs/dbraw/zinc/79/51/37/388795137.db2.gz NNMHIZIIHATZQD-LLVKDONJSA-N 0 1 244.342 3.505 20 0 BHADMN CC(C)=CCC[C@@H](C)Nc1ccc2nn[nH]c2c1 ZINC000553904282 388795135 /nfs/dbraw/zinc/79/51/35/388795135.db2.gz NNMHIZIIHATZQD-LLVKDONJSA-N 0 1 244.342 3.505 20 0 BHADMN CC(C)=CCC[C@H](C)Nc1ccc2n[nH]nc2c1 ZINC000553904283 388793006 /nfs/dbraw/zinc/79/30/06/388793006.db2.gz NNMHIZIIHATZQD-NSHDSACASA-N 0 1 244.342 3.505 20 0 BHADMN CC(C)=CCC[C@H](C)Nc1ccc2nn[nH]c2c1 ZINC000553904283 388793004 /nfs/dbraw/zinc/79/30/04/388793004.db2.gz NNMHIZIIHATZQD-NSHDSACASA-N 0 1 244.342 3.505 20 0 BHADMN CC(C)N(Cc1cccc(F)c1Cl)C1CC1 ZINC000555314867 398002647 /nfs/dbraw/zinc/00/26/47/398002647.db2.gz RJEHDPPEBHVOFY-UHFFFAOYSA-N 0 1 241.737 3.852 20 0 BHADMN Fc1cccc(CN2C3CCC2CC3)c1Cl ZINC000555314900 398003209 /nfs/dbraw/zinc/00/32/09/398003209.db2.gz 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/nfs/dbraw/zinc/04/73/36/357047336.db2.gz LADWYPALYWGKIV-UHFFFAOYSA-N 0 1 238.375 3.593 20 0 BHADMN Clc1csc(CN2CC(C3CCC3)C2)c1 ZINC000582448277 357194435 /nfs/dbraw/zinc/19/44/35/357194435.db2.gz ZELROSAZNYHAGB-UHFFFAOYSA-N 0 1 241.787 3.633 20 0 BHADMN C[C@@H]1C[C@H](C)N1CCc1ccc(F)cc1Cl ZINC000582757590 357381521 /nfs/dbraw/zinc/38/15/21/357381521.db2.gz PODFVZWRPNQTHA-AOOOYVTPSA-N 0 1 241.737 3.504 20 0 BHADMN C[C@@H]1C[C@@H](C)N1CCc1ccc(F)cc1Cl ZINC000582757592 357381859 /nfs/dbraw/zinc/38/18/59/357381859.db2.gz PODFVZWRPNQTHA-NXEZZACHSA-N 0 1 241.737 3.504 20 0 BHADMN C[C@H]1C[C@H](C)N1CCc1ccc(F)cc1Cl ZINC000582757593 357381947 /nfs/dbraw/zinc/38/19/47/357381947.db2.gz PODFVZWRPNQTHA-UWVGGRQHSA-N 0 1 241.737 3.504 20 0 BHADMN CC[C@@H](C)N1CCc2sc(Cl)cc2C1 ZINC000583319949 357902402 /nfs/dbraw/zinc/90/24/02/357902402.db2.gz RGKQDRGSHJLJAI-MRVPVSSYSA-N 0 1 229.776 3.558 20 0 BHADMN CC[C@H](C)N1CCc2sc(Cl)cc2C1 ZINC000583319950 357902150 /nfs/dbraw/zinc/90/21/50/357902150.db2.gz 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3.980 20 0 BHADMN CCN(Cc1ccoc1)Cc1cccc(Cl)c1 ZINC000588169181 346644927 /nfs/dbraw/zinc/64/49/27/346644927.db2.gz CTLCIYHHRAZODK-UHFFFAOYSA-N 0 1 249.741 3.955 20 0 BHADMN CCN(Cc1ccoc1)Cc1ccc(Cl)cc1 ZINC000588169613 346645024 /nfs/dbraw/zinc/64/50/24/346645024.db2.gz XQPOQJYSPIEOFN-UHFFFAOYSA-N 0 1 249.741 3.955 20 0 BHADMN Fc1ccc(C2(NCc3ccco3)CCC2)cc1 ZINC000588179156 346643228 /nfs/dbraw/zinc/64/32/28/346643228.db2.gz HKEHPCJTSXVZIV-UHFFFAOYSA-N 0 1 245.297 3.588 20 0 BHADMN CCN(C/C=C/c1ccccc1)Cc1ccoc1 ZINC000588236685 346648983 /nfs/dbraw/zinc/64/89/83/346648983.db2.gz XWUKTSKNFPCUMS-RMKNXTFCSA-N 0 1 241.334 3.815 20 0 BHADMN CCN(C/C=C\c1ccccc1)Cc1ccoc1 ZINC000588236686 346648741 /nfs/dbraw/zinc/64/87/41/346648741.db2.gz XWUKTSKNFPCUMS-TWGQIWQCSA-N 0 1 241.334 3.815 20 0 BHADMN CN(Cc1ccc(F)cc1Cl)CC(C)(C)C ZINC000588902031 344198627 /nfs/dbraw/zinc/19/86/27/344198627.db2.gz CCCRTHYEZYWDPN-UHFFFAOYSA-N 0 1 243.753 3.957 20 0 BHADMN CC1(C)CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000588905026 344199294 /nfs/dbraw/zinc/19/92/94/344199294.db2.gz SOOFBTAOOULFFS-UHFFFAOYSA-N 0 1 239.309 3.587 20 0 BHADMN CC[C@H]1CCCN1Cc1c(F)cccc1Cl ZINC000590062188 346770066 /nfs/dbraw/zinc/77/00/66/346770066.db2.gz WJYUPSPDRDZZOC-JTQLQIEISA-N 0 1 241.737 3.854 20 0 BHADMN CC[C@@H]1CCCN1Cc1c(F)cccc1Cl ZINC000590062196 346769871 /nfs/dbraw/zinc/76/98/71/346769871.db2.gz WJYUPSPDRDZZOC-SNVBAGLBSA-N 0 1 241.737 3.854 20 0 BHADMN CC[N@@H+](Cc1cccc(F)c1)[C@@H]1C=CCCC1 ZINC000590400498 347084872 /nfs/dbraw/zinc/08/48/72/347084872.db2.gz GUJOSULHUHNXCG-OAHLLOKOSA-N 0 1 233.330 3.756 20 0 BHADMN CCN(CCSC)Cc1sccc1Cl ZINC000592201985 347753641 /nfs/dbraw/zinc/75/36/41/347753641.db2.gz MWNPFURTEHMSNE-UHFFFAOYSA-N 0 1 249.832 3.586 20 0 BHADMN FC(F)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000592424225 347776102 /nfs/dbraw/zinc/77/61/02/347776102.db2.gz AZDBTRVKSDXFIJ-UHFFFAOYSA-N 0 1 248.685 3.574 20 0 BHADMN CCCC[C@H](CCC)Sc1nc(CC)n[nH]1 ZINC000592561903 347801273 /nfs/dbraw/zinc/80/12/73/347801273.db2.gz 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CS[C@@H]1CC[C@H]1Nc1nccc(C)c1C1CC1 ZINC000597192415 348670770 /nfs/dbraw/zinc/67/07/70/348670770.db2.gz QWUBIFZBPWTUPV-VXGBXAGGSA-N 0 1 248.395 3.573 20 0 BHADMN Cc1nc([C@H](C)S[C@@H](C)c2ccccc2)n[nH]1 ZINC000600603750 344338299 /nfs/dbraw/zinc/33/82/99/344338299.db2.gz PMGHXKVQFRZYSV-UWVGGRQHSA-N 0 1 247.367 3.669 20 0 BHADMN Cc1nc([C@@H](C)S[C@@H](C)c2ccccc2)n[nH]1 ZINC000600603751 344338641 /nfs/dbraw/zinc/33/86/41/344338641.db2.gz PMGHXKVQFRZYSV-VHSXEESVSA-N 0 1 247.367 3.669 20 0 BHADMN CC[C@H](C)CN(C)Cc1c(F)cccc1Cl ZINC000600685003 344358598 /nfs/dbraw/zinc/35/85/98/344358598.db2.gz ASTUYBODBDCMFR-JTQLQIEISA-N 0 1 243.753 3.957 20 0 BHADMN CC[C@@H](C)CN(C)Cc1c(F)cccc1Cl ZINC000600685025 344358712 /nfs/dbraw/zinc/35/87/12/344358712.db2.gz ASTUYBODBDCMFR-SNVBAGLBSA-N 0 1 243.753 3.957 20 0 BHADMN CN(Cc1c(F)cccc1Cl)CC1CCC1 ZINC000600713286 344362098 /nfs/dbraw/zinc/36/20/98/344362098.db2.gz ZIXZJHUIDSRWJD-UHFFFAOYSA-N 0 1 241.737 3.711 20 0 BHADMN CC(C)CCN(CC(F)F)C1CCCC1 ZINC000603412422 349961353 /nfs/dbraw/zinc/96/13/53/349961353.db2.gz FUKIZHVKTNFXBY-UHFFFAOYSA-N 0 1 219.319 3.542 20 0 BHADMN CC(C)CC[N@@H+](CC(F)F)C1CCCC1 ZINC000603412422 349961351 /nfs/dbraw/zinc/96/13/51/349961351.db2.gz FUKIZHVKTNFXBY-UHFFFAOYSA-N 0 1 219.319 3.542 20 0 BHADMN CCCCN(CC(F)F)C1CCCCC1 ZINC000603412472 349961288 /nfs/dbraw/zinc/96/12/88/349961288.db2.gz WRQSWDWDRWVNSY-UHFFFAOYSA-N 0 1 219.319 3.686 20 0 BHADMN CCCC[N@@H+](CC(F)F)C1CCCCC1 ZINC000603412472 349961286 /nfs/dbraw/zinc/96/12/86/349961286.db2.gz WRQSWDWDRWVNSY-UHFFFAOYSA-N 0 1 219.319 3.686 20 0 BHADMN CCC[C@H](C)Nc1ccnc2cc(F)ccc21 ZINC000603493143 349982543 /nfs/dbraw/zinc/98/25/43/349982543.db2.gz LPAPVROAKHDEPZ-JTQLQIEISA-N 0 1 232.302 3.974 20 0 BHADMN CCC[C@@H](C)Nc1ccnc2cc(F)ccc21 ZINC000603493144 349982682 /nfs/dbraw/zinc/98/26/82/349982682.db2.gz LPAPVROAKHDEPZ-SNVBAGLBSA-N 0 1 232.302 3.974 20 0 BHADMN CC(C)CCN(C)c1ccnc2cc(F)ccc21 ZINC000603493360 349982653 /nfs/dbraw/zinc/98/26/53/349982653.db2.gz 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BHADMN CC(C)=CC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155382 350263819 /nfs/dbraw/zinc/26/38/19/350263819.db2.gz PDEWMBUXOMGZEM-HNNXBMFYSA-N 0 1 247.407 3.743 20 0 BHADMN CC(C)=CC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155383 350263932 /nfs/dbraw/zinc/26/39/32/350263932.db2.gz PDEWMBUXOMGZEM-OAHLLOKOSA-N 0 1 247.407 3.743 20 0 BHADMN CCCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605155997 350264141 /nfs/dbraw/zinc/26/41/41/350264141.db2.gz GOOXIWCQUNZLCS-AWEZNQCLSA-N 0 1 235.396 3.577 20 0 BHADMN CCCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605155998 350263857 /nfs/dbraw/zinc/26/38/57/350263857.db2.gz GOOXIWCQUNZLCS-CQSZACIVSA-N 0 1 235.396 3.577 20 0 BHADMN Fc1ccc2c(c1)nccc2NCCCC1CC1 ZINC000605572088 345968219 /nfs/dbraw/zinc/96/82/19/345968219.db2.gz QJHYSYLEDMRJAM-UHFFFAOYSA-N 0 1 244.313 3.976 20 0 BHADMN Cc1cccc(C)c1C[N@@H+](C)Cc1ccsc1 ZINC000606431035 350331594 /nfs/dbraw/zinc/33/15/94/350331594.db2.gz IUEYBHSGUAHIRB-UHFFFAOYSA-N 0 1 245.391 3.997 20 0 BHADMN CC(C)=CCN1CCc2cc(F)ccc2[C@H]1C ZINC000606449471 350339238 /nfs/dbraw/zinc/33/92/38/350339238.db2.gz XHBOFTJQDWCHKV-GFCCVEGCSA-N 0 1 233.330 3.711 20 0 BHADMN CC(C)=CCN1CCc2cc(F)ccc2[C@@H]1C ZINC000606449472 350339299 /nfs/dbraw/zinc/33/92/99/350339299.db2.gz XHBOFTJQDWCHKV-LBPRGKRZSA-N 0 1 233.330 3.711 20 0 BHADMN CC(C)=CCN1CCc2cccc(F)c2[C@H]1C ZINC000606450449 350339445 /nfs/dbraw/zinc/33/94/45/350339445.db2.gz AKWOWZKFZAQLRN-GFCCVEGCSA-N 0 1 233.330 3.711 20 0 BHADMN CC(C)=CCN1CCc2cccc(F)c2[C@@H]1C ZINC000606450450 350339366 /nfs/dbraw/zinc/33/93/66/350339366.db2.gz AKWOWZKFZAQLRN-LBPRGKRZSA-N 0 1 233.330 3.711 20 0 BHADMN CC(C)=CCN1CCc2c(Cl)cccc2C1 ZINC000606896957 350621223 /nfs/dbraw/zinc/62/12/23/350621223.db2.gz TXGZQHLOFLVOLC-UHFFFAOYSA-N 0 1 235.758 3.664 20 0 BHADMN CC(C)C[C@H]1CCCCCN1CC(F)F ZINC000607156921 351028031 /nfs/dbraw/zinc/02/80/31/351028031.db2.gz HRFPQBAVQIXNGA-LLVKDONJSA-N 0 1 219.319 3.542 20 0 BHADMN CC(C)C[C@@H]1CCCCCN1CC(F)F ZINC000607156922 351028188 /nfs/dbraw/zinc/02/81/88/351028188.db2.gz HRFPQBAVQIXNGA-NSHDSACASA-N 0 1 219.319 3.542 20 0 BHADMN CCCCCN1CCO[C@H](c2ccccc2C)C1 ZINC000607745921 342787383 /nfs/dbraw/zinc/78/73/83/342787383.db2.gz UZGQKFUZJPVRBF-INIZCTEOSA-N 0 1 247.382 3.559 20 0 BHADMN CCCCCN1CCO[C@@H](c2ccccc2C)C1 ZINC000607745922 342787354 /nfs/dbraw/zinc/78/73/54/342787354.db2.gz UZGQKFUZJPVRBF-MRXNPFEDSA-N 0 1 247.382 3.559 20 0 BHADMN CCC(C)(C)CC[N@H+]1CCOc2ccccc2C1 ZINC000608493077 355818866 /nfs/dbraw/zinc/81/88/66/355818866.db2.gz RWPWKRKYSKLPJJ-UHFFFAOYSA-N 0 1 247.382 3.707 20 0 BHADMN CCC[N@@H+](CCC1CC1)Cc1ccccc1F ZINC000608493685 355819685 /nfs/dbraw/zinc/81/96/85/355819685.db2.gz HJKCYURFVCIARS-UHFFFAOYSA-N 0 1 235.346 3.838 20 0 BHADMN CN(CCC1CC1)Cc1ccc(F)cc1Cl ZINC000608497117 355823462 /nfs/dbraw/zinc/82/34/62/355823462.db2.gz GGCRIBBIWRDXCK-UHFFFAOYSA-N 0 1 241.737 3.711 20 0 BHADMN CN(Cc1cc(Cl)ccc1Cl)C1CCC1 ZINC000608500618 355826776 /nfs/dbraw/zinc/82/67/76/355826776.db2.gz HXKGDHCXARDSBY-UHFFFAOYSA-N 0 1 244.165 3.978 20 0 BHADMN CCCc1ccc(CNCc2ccoc2)cc1 ZINC000613288149 363060130 /nfs/dbraw/zinc/06/01/30/363060130.db2.gz PXUSNAJIUNVNDW-UHFFFAOYSA-N 0 1 229.323 3.522 20 0 BHADMN C[C@H](c1c(F)cccc1F)N1CCC[C@@H](C)C1 ZINC000613315606 363099607 /nfs/dbraw/zinc/09/96/07/363099607.db2.gz QHVDIODAIQBYJS-GHMZBOCLSA-N 0 1 239.309 3.758 20 0 BHADMN C[C@@H](c1c(F)cccc1F)N1CCC[C@@H](C)C1 ZINC000613315607 363099790 /nfs/dbraw/zinc/09/97/90/363099790.db2.gz QHVDIODAIQBYJS-MNOVXSKESA-N 0 1 239.309 3.758 20 0 BHADMN C[C@@H](c1c(F)cccc1F)N1CCC[C@H](C)C1 ZINC000613315608 363099507 /nfs/dbraw/zinc/09/95/07/363099507.db2.gz QHVDIODAIQBYJS-QWRGUYRKSA-N 0 1 239.309 3.758 20 0 BHADMN C[C@H](c1c(F)cccc1F)N1CCC[C@H](C)C1 ZINC000613315609 363099564 /nfs/dbraw/zinc/09/95/64/363099564.db2.gz QHVDIODAIQBYJS-WDEREUQCSA-N 0 1 239.309 3.758 20 0 BHADMN C[C@H](c1c(F)cccc1F)N1CCC(C)CC1 ZINC000613333037 363113240 /nfs/dbraw/zinc/11/32/40/363113240.db2.gz LDXMOVHJIBULPH-LLVKDONJSA-N 0 1 239.309 3.758 20 0 BHADMN C[C@@H](c1c(F)cccc1F)N1CCC(C)CC1 ZINC000613333038 363113174 /nfs/dbraw/zinc/11/31/74/363113174.db2.gz LDXMOVHJIBULPH-NSHDSACASA-N 0 1 239.309 3.758 20 0 BHADMN C[C@H](c1c(F)cccc1F)N1C2CCC1CC2 ZINC000613403401 363179859 /nfs/dbraw/zinc/17/98/59/363179859.db2.gz SXEFANNNMDLYDB-KPPDAEKUSA-N 0 1 237.293 3.653 20 0 BHADMN C[C@@H](c1c(F)cccc1F)N1C2CCC1CC2 ZINC000613403412 363179603 /nfs/dbraw/zinc/17/96/03/363179603.db2.gz SXEFANNNMDLYDB-WHXUTIOJSA-N 0 1 237.293 3.653 20 0 BHADMN CCC1CCN(Cc2cccc(F)c2F)CC1 ZINC000613504404 363467075 /nfs/dbraw/zinc/46/70/75/363467075.db2.gz PEEKJUAJXQELJP-UHFFFAOYSA-N 0 1 239.309 3.587 20 0 BHADMN C[C@H](c1cc(F)ccc1F)N1CCC(C)CC1 ZINC000615453967 367904025 /nfs/dbraw/zinc/90/40/25/367904025.db2.gz IANDHPHPXXDUAY-LLVKDONJSA-N 0 1 239.309 3.758 20 0 BHADMN C[C@@H](c1cc(F)ccc1F)N1CCC(C)CC1 ZINC000615453971 367903375 /nfs/dbraw/zinc/90/33/75/367903375.db2.gz IANDHPHPXXDUAY-NSHDSACASA-N 0 1 239.309 3.758 20 0 BHADMN C[C@H](c1cc(F)ccc1F)N1CCC[C@@H](C)C1 ZINC000615454027 367903174 /nfs/dbraw/zinc/90/31/74/367903174.db2.gz NEWXAUVJKMFANS-GHMZBOCLSA-N 0 1 239.309 3.758 20 0 BHADMN C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H](C)C1 ZINC000615454028 367903413 /nfs/dbraw/zinc/90/34/13/367903413.db2.gz NEWXAUVJKMFANS-MNOVXSKESA-N 0 1 239.309 3.758 20 0 BHADMN C[C@@H](c1cc(F)ccc1F)N1CCC[C@H](C)C1 ZINC000615454029 367903068 /nfs/dbraw/zinc/90/30/68/367903068.db2.gz NEWXAUVJKMFANS-QWRGUYRKSA-N 0 1 239.309 3.758 20 0 BHADMN C[C@H](c1cc(F)ccc1F)N1CCC[C@H](C)C1 ZINC000615454030 367902929 /nfs/dbraw/zinc/90/29/29/367902929.db2.gz NEWXAUVJKMFANS-WDEREUQCSA-N 0 1 239.309 3.758 20 0 BHADMN C[C@@H](c1cc(F)ccc1F)N1C2CCC1CC2 ZINC000615455484 367905094 /nfs/dbraw/zinc/90/50/94/367905094.db2.gz QSZXYUORDXBXKA-GCVQQVDUSA-N 0 1 237.293 3.653 20 0 BHADMN C[C@H](c1cc(F)ccc1F)N1C2CCC1CC2 ZINC000615455485 367904432 /nfs/dbraw/zinc/90/44/32/367904432.db2.gz QSZXYUORDXBXKA-OIKLOGQESA-N 0 1 237.293 3.653 20 0 BHADMN CSCCCN(C)Cc1cscc1Cl ZINC000619613122 369494215 /nfs/dbraw/zinc/49/42/15/369494215.db2.gz KWDCKNMPYXSTFC-UHFFFAOYSA-N 0 1 249.832 3.586 20 0 BHADMN CCCc1ccc(CNCc2ccoc2C)cc1 ZINC000619766470 369582548 /nfs/dbraw/zinc/58/25/48/369582548.db2.gz LNHSPOIVNFLPQC-UHFFFAOYSA-N 0 1 243.350 3.830 20 0 BHADMN CC(C)CN(C)[C@@H](C)c1c(F)cccc1F ZINC000620133054 369743009 /nfs/dbraw/zinc/74/30/09/369743009.db2.gz SPCXNWIFADHEJF-JTQLQIEISA-N 0 1 227.298 3.614 20 0 BHADMN CC(C)CN(C)[C@H](C)c1c(F)cccc1F ZINC000620133068 369742651 /nfs/dbraw/zinc/74/26/51/369742651.db2.gz SPCXNWIFADHEJF-SNVBAGLBSA-N 0 1 227.298 3.614 20 0 BHADMN Cc1ccc(C)c(CNCc2ccc(Cl)o2)c1 ZINC000620438735 369877297 /nfs/dbraw/zinc/87/72/97/369877297.db2.gz HICFXRIOGCBEEM-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN Cc1ccc(CNCc2ccc(Cl)o2)cc1C ZINC000620438752 369877639 /nfs/dbraw/zinc/87/76/39/369877639.db2.gz KWAYHFYLZQTSFJ-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN Cc1cccc(CNCc2ccc(Cl)o2)c1C ZINC000620438761 369877335 /nfs/dbraw/zinc/87/73/35/369877335.db2.gz NCSXYOLLJNWOIG-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN CCCc1ccc(CNCc2ccco2)s1 ZINC000621325763 370256014 /nfs/dbraw/zinc/25/60/14/370256014.db2.gz KBAPIQVFJYQHJT-UHFFFAOYSA-N 0 1 235.352 3.583 20 0 BHADMN CCCc1ccc(CNCc2ccoc2)s1 ZINC000621330224 370263582 /nfs/dbraw/zinc/26/35/82/370263582.db2.gz COXRXCKIOKZLTC-UHFFFAOYSA-N 0 1 235.352 3.583 20 0 BHADMN CCCc1ccc(CNCc2ccoc2C)s1 ZINC000621330512 370263778 /nfs/dbraw/zinc/26/37/78/370263778.db2.gz PTAFTDWWIXBYJK-UHFFFAOYSA-N 0 1 249.379 3.892 20 0 BHADMN CCCc1ccc(CNCc2occc2C)s1 ZINC000621356674 370291687 /nfs/dbraw/zinc/29/16/87/370291687.db2.gz UOQWYXXAKUMJIF-UHFFFAOYSA-N 0 1 249.379 3.892 20 0 BHADMN C[C@H](c1ccncc1)N1Cc2ccccc2[C@@H]1C ZINC000621398227 370335515 /nfs/dbraw/zinc/33/55/15/370335515.db2.gz VOCRVOUEBRAYFI-OLZOCXBDSA-N 0 1 238.334 3.719 20 0 BHADMN C[C@@H](c1ccncc1)N1Cc2ccccc2[C@@H]1C ZINC000621398228 370336261 /nfs/dbraw/zinc/33/62/61/370336261.db2.gz VOCRVOUEBRAYFI-STQMWFEESA-N 0 1 238.334 3.719 20 0 BHADMN FCCCCN[C@@H](C(F)F)C1CCCCC1 ZINC000621400447 370338936 /nfs/dbraw/zinc/33/89/36/370338936.db2.gz HZDFUPYKOMIAGP-LLVKDONJSA-N 0 1 237.309 3.540 20 0 BHADMN FCCCCN[C@H](C(F)F)C1CCCCC1 ZINC000621400448 370338621 /nfs/dbraw/zinc/33/86/21/370338621.db2.gz HZDFUPYKOMIAGP-NSHDSACASA-N 0 1 237.309 3.540 20 0 BHADMN CC[C@H](C)N[C@@H](C(F)F)C1CCCCC1 ZINC000621401466 370338845 /nfs/dbraw/zinc/33/88/45/370338845.db2.gz AAOJQQMXFWKUHW-GXSJLCMTSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H](C)N[C@H](C(F)F)C1CCCCC1 ZINC000621401467 370338826 /nfs/dbraw/zinc/33/88/26/370338826.db2.gz AAOJQQMXFWKUHW-KOLCDFICSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@@H](C)N[C@@H](C(F)F)C1CCCCC1 ZINC000621401468 370338685 /nfs/dbraw/zinc/33/86/85/370338685.db2.gz AAOJQQMXFWKUHW-MWLCHTKSSA-N 0 1 219.319 3.589 20 0 BHADMN CC[C@H](C)N[C@H](C(F)F)C1CCCCC1 ZINC000621401469 370338986 /nfs/dbraw/zinc/33/89/86/370338986.db2.gz AAOJQQMXFWKUHW-ONGXEEELSA-N 0 1 219.319 3.589 20 0 BHADMN FC(F)[C@H](NCCC1CC1)C1CCCCC1 ZINC000621401852 370340423 /nfs/dbraw/zinc/34/04/23/370340423.db2.gz LRNVTUZNAMUXBV-GFCCVEGCSA-N 0 1 231.330 3.590 20 0 BHADMN FC(F)[C@@H](NCCC1CC1)C1CCCCC1 ZINC000621401853 370339936 /nfs/dbraw/zinc/33/99/36/370339936.db2.gz LRNVTUZNAMUXBV-LBPRGKRZSA-N 0 1 231.330 3.590 20 0 BHADMN FC(F)[C@H](NC1CCCC1)C1CCCCC1 ZINC000621401858 370340645 /nfs/dbraw/zinc/34/06/45/370340645.db2.gz LVJBNBIUQSLPNS-GFCCVEGCSA-N 0 1 231.330 3.733 20 0 BHADMN FC(F)[C@@H](NC1CCCC1)C1CCCCC1 ZINC000621401859 370340576 /nfs/dbraw/zinc/34/05/76/370340576.db2.gz LVJBNBIUQSLPNS-LBPRGKRZSA-N 0 1 231.330 3.733 20 0 BHADMN CCCc1ccc(CN(C)Cc2ccc[nH]2)s1 ZINC000621719259 370469378 /nfs/dbraw/zinc/46/93/78/370469378.db2.gz GSHCVVNDDRKPNB-UHFFFAOYSA-N 0 1 248.395 3.661 20 0 BHADMN CC1(c2ccccc2)CN(Cc2ccsc2)C1 ZINC000621734590 343885516 /nfs/dbraw/zinc/88/55/16/343885516.db2.gz QDNARNZLADUJIV-UHFFFAOYSA-N 0 1 243.375 3.522 20 0 BHADMN Clc1ccsc1CN1CC(CC2CC2)C1 ZINC000621740382 370499285 /nfs/dbraw/zinc/49/92/85/370499285.db2.gz NJEBCKQXMZOEOE-UHFFFAOYSA-N 0 1 241.787 3.633 20 0 BHADMN CCCc1ccc(CNc2nccn2CC)s1 ZINC000622002513 370652485 /nfs/dbraw/zinc/65/24/85/370652485.db2.gz LXNRQTIOKNAMRZ-UHFFFAOYSA-N 0 1 249.383 3.529 20 0 BHADMN CCN(CCC(F)(F)F)Cc1ccc(F)cc1 ZINC000623121337 351053497 /nfs/dbraw/zinc/05/34/97/351053497.db2.gz WKZVNZWZSQOXLF-UHFFFAOYSA-N 0 1 249.251 3.600 20 0 BHADMN CC(C)c1cccc(CNCc2ccns2)c1 ZINC000623597898 363033880 /nfs/dbraw/zinc/03/38/80/363033880.db2.gz IKLNKZGVNAJUDT-UHFFFAOYSA-N 0 1 246.379 3.556 20 0 BHADMN CC[C@@H](C)c1cccc(NCc2[nH]ncc2C)c1 ZINC000623604539 363043849 /nfs/dbraw/zinc/04/38/49/363043849.db2.gz BHZPJZMFWBQHDT-LLVKDONJSA-N 0 1 243.354 3.844 20 0 BHADMN CC[C@H](C)c1cccc(NCc2[nH]ncc2C)c1 ZINC000623604540 363043888 /nfs/dbraw/zinc/04/38/88/363043888.db2.gz BHZPJZMFWBQHDT-NSHDSACASA-N 0 1 243.354 3.844 20 0 BHADMN CC[C@@H](C)c1cccc(NCc2cn[nH]c2C)c1 ZINC000623605636 363043931 /nfs/dbraw/zinc/04/39/31/363043931.db2.gz SFYINMPHVLAHMY-LLVKDONJSA-N 0 1 243.354 3.844 20 0 BHADMN CC[C@H](C)c1cccc(NCc2cn[nH]c2C)c1 ZINC000623605637 363043229 /nfs/dbraw/zinc/04/32/29/363043229.db2.gz SFYINMPHVLAHMY-NSHDSACASA-N 0 1 243.354 3.844 20 0 BHADMN C/C=C\CNCc1cc(C(F)(F)F)ccc1F ZINC000623739049 350883286 /nfs/dbraw/zinc/88/32/86/350883286.db2.gz GRMGQZZGTQZMPJ-IHWYPQMZSA-N 0 1 247.235 3.510 20 0 BHADMN C/C=C/CNCc1cc(C(F)(F)F)ccc1F ZINC000623739050 350883583 /nfs/dbraw/zinc/88/35/83/350883583.db2.gz GRMGQZZGTQZMPJ-NSCUHMNNSA-N 0 1 247.235 3.510 20 0 BHADMN C/C=C\CNCc1csc(Cl)c1Cl ZINC000623740398 371075788 /nfs/dbraw/zinc/07/57/88/371075788.db2.gz VHOQFFCMEUMYAQ-IHWYPQMZSA-N 0 1 236.167 3.721 20 0 BHADMN C/C=C/CNCc1csc(Cl)c1Cl ZINC000623740399 371075772 /nfs/dbraw/zinc/07/57/72/371075772.db2.gz VHOQFFCMEUMYAQ-NSCUHMNNSA-N 0 1 236.167 3.721 20 0 BHADMN CC[C@H](CCc1ccccc1)NCC(C)(F)F ZINC000623990284 359619778 /nfs/dbraw/zinc/61/97/78/359619778.db2.gz ZDNBJMUCPAJZLL-CYBMUJFWSA-N 0 1 241.325 3.643 20 0 BHADMN CC[C@@H](CCc1ccccc1)NCC(C)(F)F ZINC000623990285 359619815 /nfs/dbraw/zinc/61/98/15/359619815.db2.gz ZDNBJMUCPAJZLL-ZDUSSCGKSA-N 0 1 241.325 3.643 20 0 BHADMN c1nc2c(s1)CCC[C@H]2NCC1=CCCCC1 ZINC000623990368 371224121 /nfs/dbraw/zinc/22/41/21/371224121.db2.gz AJPXIJCQDWTABB-GFCCVEGCSA-N 0 1 248.395 3.611 20 0 BHADMN c1nc2c(s1)CCC[C@@H]2NCC1=CCCCC1 ZINC000623990369 371224421 /nfs/dbraw/zinc/22/44/21/371224421.db2.gz AJPXIJCQDWTABB-LBPRGKRZSA-N 0 1 248.395 3.611 20 0 BHADMN Cc1cccc([C@@H](C)NCc2ccns2)c1C ZINC000624047667 371272158 /nfs/dbraw/zinc/27/21/58/371272158.db2.gz KIOIEZAZEYWVCV-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1cccc([C@H](C)NCc2ccns2)c1C ZINC000624047668 371272198 /nfs/dbraw/zinc/27/21/98/371272198.db2.gz KIOIEZAZEYWVCV-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN CC[C@@H](Cc1cccs1)NCC(F)(F)CC ZINC000624147464 371340249 /nfs/dbraw/zinc/34/02/49/371340249.db2.gz AYDANMNEWRTPSP-JTQLQIEISA-N 0 1 247.354 3.704 20 0 BHADMN CC[C@H](Cc1cccs1)NCC(F)(F)CC ZINC000624147465 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/nfs/dbraw/zinc/48/44/78/411484478.db2.gz YZKKXJZUUJYTQW-UHFFFAOYSA-N 0 1 248.370 3.529 20 0 BHADMN CCCN(Cc1nsc2ccccc21)C1CC1 ZINC000659877116 411487429 /nfs/dbraw/zinc/48/74/29/411487429.db2.gz CROODUVHZOBUGR-UHFFFAOYSA-N 0 1 246.379 3.671 20 0 BHADMN Cc1nc(CN2CCCC3(CCCCC3)C2)co1 ZINC000659920363 411382662 /nfs/dbraw/zinc/38/26/62/411382662.db2.gz KXSWGZARKIPOTA-UHFFFAOYSA-N 0 1 248.370 3.529 20 0 BHADMN CCN(Cc1nsc2ccccc21)C1CCC1 ZINC000659941241 411503992 /nfs/dbraw/zinc/50/39/92/411503992.db2.gz WPPZVTJILCICFB-UHFFFAOYSA-N 0 1 246.379 3.671 20 0 BHADMN CC1(C)CCN(Cc2nsc3ccccc32)C1 ZINC000659973175 411151904 /nfs/dbraw/zinc/15/19/04/411151904.db2.gz CQOSMVQPLULZEB-UHFFFAOYSA-N 0 1 246.379 3.528 20 0 BHADMN CC(C)c1cccc(CN(C)Cc2ccc[nH]2)c1 ZINC000659980945 411516985 /nfs/dbraw/zinc/51/69/85/411516985.db2.gz CLWMOUUUENMSEI-UHFFFAOYSA-N 0 1 242.366 3.770 20 0 BHADMN CCCCC[C@H]1CCCN1Cc1coc(C)n1 ZINC000660012977 411174448 /nfs/dbraw/zinc/17/44/48/411174448.db2.gz OGLAQUWCKBFIAA-AWEZNQCLSA-N 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/nfs/dbraw/zinc/23/07/17/410230717.db2.gz KFNQXCGUTQKUDH-LLVKDONJSA-N 0 1 238.375 3.593 20 0 BHADMN CC[C@H](C)N(CC)Cc1cc(C(C)(C)C)on1 ZINC000661104260 410230516 /nfs/dbraw/zinc/23/05/16/410230516.db2.gz KFNQXCGUTQKUDH-NSHDSACASA-N 0 1 238.375 3.593 20 0 BHADMN CC[C@@H](C)N(CC)Cc1ncc(C(C)(C)C)o1 ZINC000661105141 411708653 /nfs/dbraw/zinc/70/86/53/411708653.db2.gz FYVJPINHRDOKSQ-LLVKDONJSA-N 0 1 238.375 3.593 20 0 BHADMN CC[C@H](C)N(CC)Cc1ncc(C(C)(C)C)o1 ZINC000661105143 411707292 /nfs/dbraw/zinc/70/72/92/411707292.db2.gz FYVJPINHRDOKSQ-NSHDSACASA-N 0 1 238.375 3.593 20 0 BHADMN CC[C@@H](C)N(CC)Cc1csc(C(C)C)n1 ZINC000661106238 411710126 /nfs/dbraw/zinc/71/01/26/411710126.db2.gz MMHMNRWFYWXCIK-LLVKDONJSA-N 0 1 240.416 3.887 20 0 BHADMN CC[C@H](C)N(CC)Cc1csc(C(C)C)n1 ZINC000661106239 411711775 /nfs/dbraw/zinc/71/17/75/411711775.db2.gz MMHMNRWFYWXCIK-NSHDSACASA-N 0 1 240.416 3.887 20 0 BHADMN CCCc1nc(CN(CC)[C@H](C)CC)cs1 ZINC000661106255 410250775 /nfs/dbraw/zinc/25/07/75/410250775.db2.gz MTIVKRZHZXUGPO-LLVKDONJSA-N 0 1 240.416 3.716 20 0 BHADMN CCCc1nc(CN(CC)[C@@H](C)CC)cs1 ZINC000661106256 410250693 /nfs/dbraw/zinc/25/06/93/410250693.db2.gz MTIVKRZHZXUGPO-NSHDSACASA-N 0 1 240.416 3.716 20 0 BHADMN CC[C@H](C)N(CC)Cc1csc(C2CC2)n1 ZINC000661107009 411711462 /nfs/dbraw/zinc/71/14/62/411711462.db2.gz KKPJFRFVTIJVGK-JTQLQIEISA-N 0 1 238.400 3.641 20 0 BHADMN CC[C@@H](C)N(CC)Cc1csc(C2CC2)n1 ZINC000661107013 411711125 /nfs/dbraw/zinc/71/11/25/411711125.db2.gz KKPJFRFVTIJVGK-SNVBAGLBSA-N 0 1 238.400 3.641 20 0 BHADMN Cc1cnc([C@@H](C)N2CCC(C3CCC3)CC2)o1 ZINC000661373373 411758916 /nfs/dbraw/zinc/75/89/16/411758916.db2.gz BLSVDDHYJCWAOU-GFCCVEGCSA-N 0 1 248.370 3.556 20 0 BHADMN Cc1cnc([C@H](C)N2CCC(C3CCC3)CC2)o1 ZINC000661373374 411758953 /nfs/dbraw/zinc/75/89/53/411758953.db2.gz BLSVDDHYJCWAOU-LBPRGKRZSA-N 0 1 248.370 3.556 20 0 BHADMN C[C@@H](N[C@H]1C=CCCCCC1)c1cscn1 ZINC000661416243 411771792 /nfs/dbraw/zinc/77/17/92/411771792.db2.gz XGLKTTDSIPSJMJ-NEPJUHHUSA-N 0 1 236.384 3.683 20 0 BHADMN C[C@H](N[C@@H]1C=CCCCCC1)c1cscn1 ZINC000661416244 411772564 /nfs/dbraw/zinc/77/25/64/411772564.db2.gz XGLKTTDSIPSJMJ-NWDGAFQWSA-N 0 1 236.384 3.683 20 0 BHADMN C[C@H](N[C@H]1C=CCCCCC1)c1cscn1 ZINC000661416245 411772332 /nfs/dbraw/zinc/77/23/32/411772332.db2.gz XGLKTTDSIPSJMJ-RYUDHWBXSA-N 0 1 236.384 3.683 20 0 BHADMN C[C@@H](N[C@@H]1C=CCCCCC1)c1cscn1 ZINC000661416246 411771582 /nfs/dbraw/zinc/77/15/82/411771582.db2.gz XGLKTTDSIPSJMJ-VXGBXAGGSA-N 0 1 236.384 3.683 20 0 BHADMN Fc1ccc([C@@H]2CCN2CC2=CCCC2)cc1 ZINC000661510008 410718880 /nfs/dbraw/zinc/71/88/80/410718880.db2.gz SEWUXVWBHWNBLZ-HNNXBMFYSA-N 0 1 231.314 3.683 20 0 BHADMN Fc1ccc([C@H]2CCN2CC2=CCCC2)cc1 ZINC000661510038 410718970 /nfs/dbraw/zinc/71/89/70/410718970.db2.gz SEWUXVWBHWNBLZ-OAHLLOKOSA-N 0 1 231.314 3.683 20 0 BHADMN Fc1ccc([C@@H]2CCN2[C@@H]2C=CCCC2)cc1 ZINC000661510349 411791448 /nfs/dbraw/zinc/79/14/48/411791448.db2.gz GHXADTYWEVXKND-CABCVRRESA-N 0 1 231.314 3.681 20 0 BHADMN Fc1ccc([C@@H]2CCN2[C@H]2C=CCCC2)cc1 ZINC000661510352 411791468 /nfs/dbraw/zinc/79/14/68/411791468.db2.gz GHXADTYWEVXKND-GJZGRUSLSA-N 0 1 231.314 3.681 20 0 BHADMN Fc1ccc([C@H]2CCN2[C@@H]2C=CCCC2)cc1 ZINC000661510353 411792479 /nfs/dbraw/zinc/79/24/79/411792479.db2.gz GHXADTYWEVXKND-HUUCEWRRSA-N 0 1 231.314 3.681 20 0 BHADMN Fc1ccc([C@H]2CCN2[C@H]2C=CCCC2)cc1 ZINC000661510354 411791934 /nfs/dbraw/zinc/79/19/34/411791934.db2.gz GHXADTYWEVXKND-LSDHHAIUSA-N 0 1 231.314 3.681 20 0 BHADMN CC(C)=CCN1CC[C@H]1c1ccc(F)cc1 ZINC000661515038 411793339 /nfs/dbraw/zinc/79/33/39/411793339.db2.gz UKNPIDSYOUOSFK-AWEZNQCLSA-N 0 1 219.303 3.539 20 0 BHADMN CC(C)=CCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661515039 411794364 /nfs/dbraw/zinc/79/43/64/411794364.db2.gz UKNPIDSYOUOSFK-CQSZACIVSA-N 0 1 219.303 3.539 20 0 BHADMN Fc1ccc([C@@H]2CCN2Cc2ccccc2)cc1 ZINC000661515187 411794591 /nfs/dbraw/zinc/79/45/91/411794591.db2.gz ZUCACMTXQKOTEH-INIZCTEOSA-N 0 1 241.309 3.773 20 0 BHADMN Fc1ccc([C@H]2CCN2Cc2ccccc2)cc1 ZINC000661515188 411794425 /nfs/dbraw/zinc/79/44/25/411794425.db2.gz ZUCACMTXQKOTEH-MRXNPFEDSA-N 0 1 241.309 3.773 20 0 BHADMN CCC1(CC)CCCN(Cc2nccs2)C1 ZINC000661671564 411141360 /nfs/dbraw/zinc/14/13/60/411141360.db2.gz DQCDKLHUYCXIQE-UHFFFAOYSA-N 0 1 238.400 3.545 20 0 BHADMN CCC1(CC)CCCN(Cc2cscn2)C1 ZINC000661675699 411834185 /nfs/dbraw/zinc/83/41/85/411834185.db2.gz XRVJBWCZSCJTCZ-UHFFFAOYSA-N 0 1 238.400 3.545 20 0 BHADMN FCC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000661695723 411843952 /nfs/dbraw/zinc/84/39/52/411843952.db2.gz HXYQFPNZDNHCQS-FAOGRTBUSA-N 0 1 247.357 3.771 20 0 BHADMN FCC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000661695724 411842910 /nfs/dbraw/zinc/84/29/10/411842910.db2.gz HXYQFPNZDNHCQS-KZJSRBBCSA-N 0 1 247.357 3.771 20 0 BHADMN FCC[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000661695726 411843827 /nfs/dbraw/zinc/84/38/27/411843827.db2.gz HXYQFPNZDNHCQS-LWAXHKBTSA-N 0 1 247.357 3.771 20 0 BHADMN FCC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000661695727 411843098 /nfs/dbraw/zinc/84/30/98/411843098.db2.gz HXYQFPNZDNHCQS-YCOJEUHLSA-N 0 1 247.357 3.771 20 0 BHADMN CC[C@@H]1CC[C@@H](C)N(Cc2ncc(C3CC3)o2)C1 ZINC000661861343 411906853 /nfs/dbraw/zinc/90/68/53/411906853.db2.gz QFMGRLORBHMHFN-VXGBXAGGSA-N 0 1 248.370 3.563 20 0 BHADMN CCC(CC)CCCN(C)Cc1cc(C)no1 ZINC000662034873 411953427 /nfs/dbraw/zinc/95/34/27/411953427.db2.gz AWJHAXCTYQEMSR-UHFFFAOYSA-N 0 1 238.375 3.631 20 0 BHADMN CCCCC[C@H]1CCCCN1Cc1ccon1 ZINC000662156006 412010399 /nfs/dbraw/zinc/01/03/99/412010399.db2.gz OPFWDZHVNKZRMR-AWEZNQCLSA-N 0 1 236.359 3.609 20 0 BHADMN CCCCC[C@@H]1CCCCN1Cc1ccon1 ZINC000662156009 412011466 /nfs/dbraw/zinc/01/14/66/412011466.db2.gz OPFWDZHVNKZRMR-CQSZACIVSA-N 0 1 236.359 3.609 20 0 BHADMN CC[C@@H]1CCC[C@H](C)N1Cc1ncc(C2CC2)o1 ZINC000662161709 412012505 /nfs/dbraw/zinc/01/25/05/412012505.db2.gz XKZZKCFAFHNINN-WCQYABFASA-N 0 1 248.370 3.705 20 0 BHADMN C[C@H](c1ccncc1)N1Cc2ccccc2[C@H]1C ZINC000662289365 412079799 /nfs/dbraw/zinc/07/97/99/412079799.db2.gz VOCRVOUEBRAYFI-CHWSQXEVSA-N 0 1 238.334 3.719 20 0 BHADMN C[C@@H](c1ccncc1)N1Cc2ccccc2[C@H]1C ZINC000662289366 412078969 /nfs/dbraw/zinc/07/89/69/412078969.db2.gz VOCRVOUEBRAYFI-QWHCGFSZSA-N 0 1 238.334 3.719 20 0 BHADMN C[C@@H](c1ccc(F)cc1F)N1CC2CC1(C)C2 ZINC000662382143 412134778 /nfs/dbraw/zinc/13/47/78/412134778.db2.gz NXVVSBSJLNPJRR-IPWFMCSPSA-N 0 1 237.293 3.510 20 0 BHADMN C[C@H](c1ccc(F)cc1F)N1CC2CC1(C)C2 ZINC000662382144 412133407 /nfs/dbraw/zinc/13/34/07/412133407.db2.gz NXVVSBSJLNPJRR-NAUIOFCNSA-N 0 1 237.293 3.510 20 0 BHADMN C[C@@H](c1c(F)cccc1F)N1CC2CC1(C)C2 ZINC000662382274 412133521 /nfs/dbraw/zinc/13/35/21/412133521.db2.gz PCYZDLYDXUQOMT-IPWFMCSPSA-N 0 1 237.293 3.510 20 0 BHADMN C[C@H](c1c(F)cccc1F)N1CC2CC1(C)C2 ZINC000662382275 412133243 /nfs/dbraw/zinc/13/32/43/412133243.db2.gz PCYZDLYDXUQOMT-NAUIOFCNSA-N 0 1 237.293 3.510 20 0 BHADMN C[C@@H](c1cc(F)ccc1F)N1CC2CC1(C)C2 ZINC000662382279 412134397 /nfs/dbraw/zinc/13/43/97/412134397.db2.gz PIZRKBHLRIRGFR-IPWFMCSPSA-N 0 1 237.293 3.510 20 0 BHADMN C[C@H](c1cc(F)ccc1F)N1CC2CC1(C)C2 ZINC000662382280 412133979 /nfs/dbraw/zinc/13/39/79/412133979.db2.gz PIZRKBHLRIRGFR-NAUIOFCNSA-N 0 1 237.293 3.510 20 0 BHADMN CCn1ccnc1NCc1cccc(C(C)C)c1 ZINC000663258387 412402420 /nfs/dbraw/zinc/40/24/20/412402420.db2.gz FLJQSTDQESTKSI-UHFFFAOYSA-N 0 1 243.354 3.639 20 0 BHADMN C1=CCC(CNc2ccc3cnccc3c2)C1 ZINC000663282702 412410171 /nfs/dbraw/zinc/41/01/71/412410171.db2.gz AHGFAUUPVMSMAD-UHFFFAOYSA-N 0 1 224.307 3.613 20 0 BHADMN c1cc2cc(NC[C@@H]3C[C@H]4C[C@H]4C3)ccc2cn1 ZINC000663284035 412410053 /nfs/dbraw/zinc/41/00/53/412410053.db2.gz YAUAFMSGOGDBJW-SHHSBJBSSA-N 0 1 238.334 3.693 20 0 BHADMN CC1(C)C[C@]1(NCc1ccco1)c1ccccc1 ZINC000663337784 411629429 /nfs/dbraw/zinc/62/94/29/411629429.db2.gz FRPAMMPKPVXKDX-INIZCTEOSA-N 0 1 241.334 3.695 20 0 BHADMN CC1(C)C[C@@]1(NCc1ccco1)c1ccccc1 ZINC000663337785 411629929 /nfs/dbraw/zinc/62/99/29/411629929.db2.gz FRPAMMPKPVXKDX-MRXNPFEDSA-N 0 1 241.334 3.695 20 0 BHADMN CC[C@@H](COc1cc(C)nc(C)c1)CC(F)F ZINC000663984056 411801368 /nfs/dbraw/zinc/80/13/68/411801368.db2.gz BVSBJDKODDDFNK-LLVKDONJSA-N 0 1 243.297 3.759 20 0 BHADMN CC[C@H](COc1cc(C)nc(C)c1)CC(F)F ZINC000663984057 411801199 /nfs/dbraw/zinc/80/11/99/411801199.db2.gz BVSBJDKODDDFNK-NSHDSACASA-N 0 1 243.297 3.759 20 0 BHADMN Cc1cccc(NCC(C)(C)CC(F)(F)F)n1 ZINC000664695805 412012040 /nfs/dbraw/zinc/01/20/40/412012040.db2.gz KBKONYOUGYGLHU-UHFFFAOYSA-N 0 1 246.276 3.781 20 0 BHADMN Cc1ccnc(NCC(C)(C)CC(F)(F)F)c1 ZINC000664697379 412011731 /nfs/dbraw/zinc/01/17/31/412011731.db2.gz UPNJBNQBPXOGCD-UHFFFAOYSA-N 0 1 246.276 3.781 20 0 BHADMN CC1(C)CN(CC2=CCCC2)[C@H]1c1cccnc1 ZINC000664818816 412025293 /nfs/dbraw/zinc/02/52/93/412025293.db2.gz JKYTVFPHRIQNQM-HNNXBMFYSA-N 0 1 242.366 3.575 20 0 BHADMN CC1(C)CN(CC2=CCCC2)[C@@H]1c1cccnc1 ZINC000664818821 412025441 /nfs/dbraw/zinc/02/54/41/412025441.db2.gz JKYTVFPHRIQNQM-OAHLLOKOSA-N 0 1 242.366 3.575 20 0 BHADMN CC1(C)CN([C@@H]2C=CCCC2)[C@H]1c1cccnc1 ZINC000664826706 412026911 /nfs/dbraw/zinc/02/69/11/412026911.db2.gz XDFMDTHVJUVUAA-CABCVRRESA-N 0 1 242.366 3.573 20 0 BHADMN CC1(C)CN([C@H]2C=CCCC2)[C@H]1c1cccnc1 ZINC000664826707 412027484 /nfs/dbraw/zinc/02/74/84/412027484.db2.gz XDFMDTHVJUVUAA-GJZGRUSLSA-N 0 1 242.366 3.573 20 0 BHADMN CC1(C)CN([C@@H]2C=CCCC2)[C@@H]1c1cccnc1 ZINC000664826708 412026884 /nfs/dbraw/zinc/02/68/84/412026884.db2.gz XDFMDTHVJUVUAA-HUUCEWRRSA-N 0 1 242.366 3.573 20 0 BHADMN CC1(C)CN([C@H]2C=CCCC2)[C@@H]1c1cccnc1 ZINC000664826709 412027738 /nfs/dbraw/zinc/02/77/38/412027738.db2.gz XDFMDTHVJUVUAA-LSDHHAIUSA-N 0 1 242.366 3.573 20 0 BHADMN CC1(C)CN(CC2=CCCC2)[C@H]1c1ccncc1 ZINC000664828848 412029155 /nfs/dbraw/zinc/02/91/55/412029155.db2.gz IRNGHQIEZXNEKB-HNNXBMFYSA-N 0 1 242.366 3.575 20 0 BHADMN CC1(C)CN(CC2=CCCC2)[C@@H]1c1ccncc1 ZINC000664828849 412029143 /nfs/dbraw/zinc/02/91/43/412029143.db2.gz IRNGHQIEZXNEKB-OAHLLOKOSA-N 0 1 242.366 3.575 20 0 BHADMN CC1(C)CN([C@@H]2C=CCCC2)[C@H]1c1ccncc1 ZINC000664832110 412028981 /nfs/dbraw/zinc/02/89/81/412028981.db2.gz CJVSKKMTGINQPB-CABCVRRESA-N 0 1 242.366 3.573 20 0 BHADMN CC1(C)CN([C@H]2C=CCCC2)[C@H]1c1ccncc1 ZINC000664832112 412028612 /nfs/dbraw/zinc/02/86/12/412028612.db2.gz CJVSKKMTGINQPB-GJZGRUSLSA-N 0 1 242.366 3.573 20 0 BHADMN CC1(C)CN([C@@H]2C=CCCC2)[C@@H]1c1ccncc1 ZINC000664832114 412029420 /nfs/dbraw/zinc/02/94/20/412029420.db2.gz CJVSKKMTGINQPB-HUUCEWRRSA-N 0 1 242.366 3.573 20 0 BHADMN CC1(C)CN([C@H]2C=CCCC2)[C@@H]1c1ccncc1 ZINC000664832115 412028546 /nfs/dbraw/zinc/02/85/46/412028546.db2.gz CJVSKKMTGINQPB-LSDHHAIUSA-N 0 1 242.366 3.573 20 0 BHADMN Cc1cscc1-c1ccc(F)c(CN(C)C)c1 ZINC000665199304 412132015 /nfs/dbraw/zinc/13/20/15/412132015.db2.gz BYKYUUDYCLRCAR-UHFFFAOYSA-N 0 1 249.354 3.924 20 0 BHADMN Cc1sccc1-c1ccc(F)c(CN(C)C)c1 ZINC000665199770 412132565 /nfs/dbraw/zinc/13/25/65/412132565.db2.gz WUYRQKAYSVYMPM-UHFFFAOYSA-N 0 1 249.354 3.924 20 0 BHADMN CCN(Cc1occc1C)[C@H](C)c1ccncc1 ZINC000665239507 412180693 /nfs/dbraw/zinc/18/06/93/412180693.db2.gz KKEGHIVKGRNUAT-CYBMUJFWSA-N 0 1 244.338 3.566 20 0 BHADMN CCN(Cc1occc1C)[C@@H](C)c1ccncc1 ZINC000665239508 412180339 /nfs/dbraw/zinc/18/03/39/412180339.db2.gz KKEGHIVKGRNUAT-ZDUSSCGKSA-N 0 1 244.338 3.566 20 0 BHADMN Cc1occc1CN1CCCc2sccc2C1 ZINC000666310120 487783425 /nfs/dbraw/zinc/78/34/25/487783425.db2.gz HBOSOWGOQUYLJX-UHFFFAOYSA-N 0 1 247.363 3.598 20 0 BHADMN Cc1ccc2cc(C[N@@H+]3CC=C(C)CC3)[nH]c2c1 ZINC000667649921 488072581 /nfs/dbraw/zinc/07/25/81/488072581.db2.gz GRYZXZMJMIBKOZ-UHFFFAOYSA-N 0 1 240.350 3.628 20 0 BHADMN c1cc2cc(N[C@H]3CCCC34CC4)ccc2cn1 ZINC000668229554 487492561 /nfs/dbraw/zinc/49/25/61/487492561.db2.gz MGFWMAGHXWJZCU-HNNXBMFYSA-N 0 1 238.334 3.979 20 0 BHADMN c1cc2cc(N[C@@H]3CCCC34CC4)ccc2cn1 ZINC000668229555 487492782 /nfs/dbraw/zinc/49/27/82/487492782.db2.gz MGFWMAGHXWJZCU-OAHLLOKOSA-N 0 1 238.334 3.979 20 0 BHADMN CC(C)c1cccc(CN2CC(C(F)F)C2)c1 ZINC000668232088 487500247 /nfs/dbraw/zinc/50/02/47/487500247.db2.gz BPNRWEYYXGWNTD-UHFFFAOYSA-N 0 1 239.309 3.507 20 0 BHADMN CC(C)c1cccc(CN2CC3(CC(F)C3)C2)c1 ZINC000668232502 637335549 /nfs/dbraw/zinc/33/55/49/637335549.db2.gz UKMOYLOAPMDYPV-UHFFFAOYSA-N 0 1 247.357 3.744 20 0 BHADMN Clc1cscc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299608 487636300 /nfs/dbraw/zinc/63/63/00/487636300.db2.gz MVPAEQJMLQBLOT-CABZTGNLSA-N 0 1 241.787 3.776 20 0 BHADMN CC(C)=CCC[C@H](C)CCN(C)Cc1c[nH]cn1 ZINC000668422266 487727821 /nfs/dbraw/zinc/72/78/21/487727821.db2.gz WKJIJRPOTRIAHX-AWEZNQCLSA-N 0 1 249.402 3.614 20 0 BHADMN CC(C)=CCC[C@H](C)CC[N@@H+](C)Cc1c[nH]cn1 ZINC000668422266 487727818 /nfs/dbraw/zinc/72/78/18/487727818.db2.gz WKJIJRPOTRIAHX-AWEZNQCLSA-N 0 1 249.402 3.614 20 0 BHADMN CC(C)=CCC[C@H](C)CC[N@H+](C)Cc1c[nH]cn1 ZINC000668422266 487727811 /nfs/dbraw/zinc/72/78/11/487727811.db2.gz WKJIJRPOTRIAHX-AWEZNQCLSA-N 0 1 249.402 3.614 20 0 BHADMN CC(C)=CCC[C@@H](C)CCN(C)Cc1c[nH]cn1 ZINC000668422267 487727493 /nfs/dbraw/zinc/72/74/93/487727493.db2.gz WKJIJRPOTRIAHX-CQSZACIVSA-N 0 1 249.402 3.614 20 0 BHADMN CC(C)=CCC[C@@H](C)CC[N@@H+](C)Cc1c[nH]cn1 ZINC000668422267 487727489 /nfs/dbraw/zinc/72/74/89/487727489.db2.gz WKJIJRPOTRIAHX-CQSZACIVSA-N 0 1 249.402 3.614 20 0 BHADMN CC(C)=CCC[C@@H](C)CC[N@H+](C)Cc1c[nH]cn1 ZINC000668422267 487727483 /nfs/dbraw/zinc/72/74/83/487727483.db2.gz WKJIJRPOTRIAHX-CQSZACIVSA-N 0 1 249.402 3.614 20 0 BHADMN CCc1ccc(C)nc1N[C@H](C)c1ccccn1 ZINC000668478712 487806123 /nfs/dbraw/zinc/80/61/23/487806123.db2.gz QAIKNNKPZXYOKC-GFCCVEGCSA-N 0 1 241.338 3.521 20 0 BHADMN CCc1ccc(C)nc1N[C@@H](C)c1ccccn1 ZINC000668478724 490281482 /nfs/dbraw/zinc/28/14/82/490281482.db2.gz QAIKNNKPZXYOKC-LBPRGKRZSA-N 0 1 241.338 3.521 20 0 BHADMN Cc1ccnc(NC2CCSCC2)c1C1CC1 ZINC000668511694 487870012 /nfs/dbraw/zinc/87/00/12/487870012.db2.gz GTSKOWIEFYTGHQ-UHFFFAOYSA-N 0 1 248.395 3.575 20 0 BHADMN Cc1ccnc(NC2CCCC2)c1C1CC1 ZINC000668512413 487872017 /nfs/dbraw/zinc/87/20/17/487872017.db2.gz MLCSZYUABDURSA-UHFFFAOYSA-N 0 1 216.328 3.622 20 0 BHADMN FCC[C@@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000668592163 487976963 /nfs/dbraw/zinc/97/69/63/487976963.db2.gz IMSJHSZKIRIQPO-JTQLQIEISA-N 0 1 245.725 3.505 20 0 BHADMN FCC[C@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000668592164 487976878 /nfs/dbraw/zinc/97/68/78/487976878.db2.gz IMSJHSZKIRIQPO-SNVBAGLBSA-N 0 1 245.725 3.505 20 0 BHADMN CC(C)(C)C(F)(F)CNC1CC2(CCC2)C1 ZINC000668747114 487471360 /nfs/dbraw/zinc/47/13/60/487471360.db2.gz BUAUKHPATFYROS-UHFFFAOYSA-N 0 1 231.330 3.590 20 0 BHADMN CC1=CC[C@@H](NCC(F)(F)C(C)(C)C)CC1 ZINC000668747339 487473250 /nfs/dbraw/zinc/47/32/50/487473250.db2.gz FNYJPKHWFRCBGV-LLVKDONJSA-N 0 1 231.330 3.756 20 0 BHADMN CC1=CC[C@H](NCC(F)(F)C(C)(C)C)CC1 ZINC000668747346 487473357 /nfs/dbraw/zinc/47/33/57/487473357.db2.gz FNYJPKHWFRCBGV-NSHDSACASA-N 0 1 231.330 3.756 20 0 BHADMN Cc1ccccc1[C@]1(F)CC[N@H+](C2CCCC2)C1 ZINC000669698253 487693155 /nfs/dbraw/zinc/69/31/55/487693155.db2.gz BOFKDWBPIVYUCG-INIZCTEOSA-N 0 1 247.357 3.808 20 0 BHADMN Cc1ccccc1[C@@]1(F)CC[N@H+](C2CCCC2)C1 ZINC000669698254 487693133 /nfs/dbraw/zinc/69/31/33/487693133.db2.gz BOFKDWBPIVYUCG-MRXNPFEDSA-N 0 1 247.357 3.808 20 0 BHADMN Cc1cncc([C@H](C)N[C@H](C)c2ccsc2)c1 ZINC000669851173 487886017 /nfs/dbraw/zinc/88/60/17/487886017.db2.gz WRTLFOYTRDXCLQ-NEPJUHHUSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1cncc([C@@H](C)N[C@@H](C)c2ccsc2)c1 ZINC000669851174 487886536 /nfs/dbraw/zinc/88/65/36/487886536.db2.gz WRTLFOYTRDXCLQ-NWDGAFQWSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1cncc([C@H](C)N[C@@H](C)c2ccsc2)c1 ZINC000669851175 487885823 /nfs/dbraw/zinc/88/58/23/487885823.db2.gz WRTLFOYTRDXCLQ-RYUDHWBXSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1cncc([C@@H](C)N[C@H](C)c2ccsc2)c1 ZINC000669851176 487886064 /nfs/dbraw/zinc/88/60/64/487886064.db2.gz WRTLFOYTRDXCLQ-VXGBXAGGSA-N 0 1 246.379 3.863 20 0 BHADMN C[C@H](CN1CCn2cccc2[C@H]1C)C(C)(C)C ZINC000670261599 487855000 /nfs/dbraw/zinc/85/50/00/487855000.db2.gz GXNOMRAFSKHYAX-CHWSQXEVSA-N 0 1 234.387 3.547 20 0 BHADMN C[C@H](CN1CCn2cccc2[C@@H]1C)C(C)(C)C ZINC000670261600 487854804 /nfs/dbraw/zinc/85/48/04/487854804.db2.gz GXNOMRAFSKHYAX-OLZOCXBDSA-N 0 1 234.387 3.547 20 0 BHADMN C[C@@H](CN1CCn2cccc2[C@H]1C)C(C)(C)C ZINC000670261601 487854975 /nfs/dbraw/zinc/85/49/75/487854975.db2.gz GXNOMRAFSKHYAX-QWHCGFSZSA-N 0 1 234.387 3.547 20 0 BHADMN C[C@@H](CN1CCn2cccc2[C@@H]1C)C(C)(C)C ZINC000670261602 487854699 /nfs/dbraw/zinc/85/46/99/487854699.db2.gz GXNOMRAFSKHYAX-STQMWFEESA-N 0 1 234.387 3.547 20 0 BHADMN Cc1nc(CN(C)C[C@H](C)C(C)(C)C)cs1 ZINC000670262097 487857817 /nfs/dbraw/zinc/85/78/17/487857817.db2.gz PXRJKBSRFZKQLG-JTQLQIEISA-N 0 1 240.416 3.566 20 0 BHADMN Cc1nc(CN(C)C[C@@H](C)C(C)(C)C)cs1 ZINC000670262098 487858086 /nfs/dbraw/zinc/85/80/86/487858086.db2.gz PXRJKBSRFZKQLG-SNVBAGLBSA-N 0 1 240.416 3.566 20 0 BHADMN CCCN(CC(F)F)C[C@H](C)C(C)(C)C ZINC000670263178 487862310 /nfs/dbraw/zinc/86/23/10/487862310.db2.gz PAEJOKKJAIJGMW-JTQLQIEISA-N 0 1 221.335 3.646 20 0 BHADMN CCCN(CC(F)F)C[C@@H](C)C(C)(C)C ZINC000670263179 487862472 /nfs/dbraw/zinc/86/24/72/487862472.db2.gz PAEJOKKJAIJGMW-SNVBAGLBSA-N 0 1 221.335 3.646 20 0 BHADMN Cc1csc(CN(C)C[C@H](C)C(C)(C)C)n1 ZINC000670264346 487865730 /nfs/dbraw/zinc/86/57/30/487865730.db2.gz TWMWPWOGESAKAF-JTQLQIEISA-N 0 1 240.416 3.566 20 0 BHADMN Cc1csc(CN(C)C[C@@H](C)C(C)(C)C)n1 ZINC000670264347 487865489 /nfs/dbraw/zinc/86/54/89/487865489.db2.gz TWMWPWOGESAKAF-SNVBAGLBSA-N 0 1 240.416 3.566 20 0 BHADMN Cc1ccc(C[N@H+](C)C[C@@H](C)C(C)(C)C)nc1 ZINC000670270131 487885056 /nfs/dbraw/zinc/88/50/56/487885056.db2.gz YAGAASSJPGDOFM-CYBMUJFWSA-N 0 1 234.387 3.504 20 0 BHADMN Cc1ccc(C[N@H+](C)C[C@H](C)C(C)(C)C)nc1 ZINC000670270132 487885242 /nfs/dbraw/zinc/88/52/42/487885242.db2.gz YAGAASSJPGDOFM-ZDUSSCGKSA-N 0 1 234.387 3.504 20 0 BHADMN CN(Cc1cncs1)C(C)(C)c1ccccc1 ZINC000671309215 487624993 /nfs/dbraw/zinc/62/49/93/487624993.db2.gz KQIFEZQKPJRCEY-UHFFFAOYSA-N 0 1 246.379 3.510 20 0 BHADMN C[C@@H](NCc1ccc2occc2c1)c1ccco1 ZINC000671706490 487699463 /nfs/dbraw/zinc/69/94/63/487699463.db2.gz BKFBIVXTHQLZNY-LLVKDONJSA-N 0 1 241.290 3.877 20 0 BHADMN C[C@H](NCc1ccc2occc2c1)c1ccco1 ZINC000671706491 487698994 /nfs/dbraw/zinc/69/89/94/487698994.db2.gz BKFBIVXTHQLZNY-NSHDSACASA-N 0 1 241.290 3.877 20 0 BHADMN Cc1occc1CNCc1ccc2occc2c1 ZINC000671707459 487700917 /nfs/dbraw/zinc/70/09/17/487700917.db2.gz AQRQSYHTKTYSSQ-UHFFFAOYSA-N 0 1 241.290 3.624 20 0 BHADMN C[C@@H](NCc1ccc2occc2c1)c1ccoc1 ZINC000671716974 487700983 /nfs/dbraw/zinc/70/09/83/487700983.db2.gz DPDUAZUJCAVLSW-LLVKDONJSA-N 0 1 241.290 3.877 20 0 BHADMN C[C@H](NCc1ccc2occc2c1)c1ccoc1 ZINC000671716975 487700335 /nfs/dbraw/zinc/70/03/35/487700335.db2.gz DPDUAZUJCAVLSW-NSHDSACASA-N 0 1 241.290 3.877 20 0 BHADMN C[C@@H]1CC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000672338274 488252549 /nfs/dbraw/zinc/25/25/49/488252549.db2.gz SMBZMPGHZJWGND-BXKDBHETSA-N 0 1 230.286 3.584 20 0 BHADMN C[C@H]1CC[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000672338275 488252513 /nfs/dbraw/zinc/25/25/13/488252513.db2.gz SMBZMPGHZJWGND-CABZTGNLSA-N 0 1 230.286 3.584 20 0 BHADMN C[C@H]1CC[C@H]1Nc1ccnc2cc(F)ccc21 ZINC000672338276 488252537 /nfs/dbraw/zinc/25/25/37/488252537.db2.gz SMBZMPGHZJWGND-JOYOIKCWSA-N 0 1 230.286 3.584 20 0 BHADMN C[C@@H]1CC[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000672338277 488252517 /nfs/dbraw/zinc/25/25/17/488252517.db2.gz SMBZMPGHZJWGND-SKDRFNHKSA-N 0 1 230.286 3.584 20 0 BHADMN FCCC[C@@H]1CCC[C@H]1N[C@@H]1CCCC1(F)F ZINC000672621644 488066851 /nfs/dbraw/zinc/06/68/51/488066851.db2.gz CLZVATXAHCJZEP-QJPTWQEYSA-N 0 1 249.320 3.682 20 0 BHADMN FCCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC1(F)F ZINC000672621645 488066519 /nfs/dbraw/zinc/06/65/19/488066519.db2.gz CLZVATXAHCJZEP-SDDRHHMPSA-N 0 1 249.320 3.682 20 0 BHADMN FCCC[C@@H]1CCC[C@@H]1N[C@H]1CCCC1(F)F ZINC000672621646 488066967 /nfs/dbraw/zinc/06/69/67/488066967.db2.gz CLZVATXAHCJZEP-SRVKXCTJSA-N 0 1 249.320 3.682 20 0 BHADMN FCCC[C@@H]1CCC[C@H]1N[C@H]1CCCC1(F)F ZINC000672621647 488066925 /nfs/dbraw/zinc/06/69/25/488066925.db2.gz CLZVATXAHCJZEP-TUAOUCFPSA-N 0 1 249.320 3.682 20 0 BHADMN CC1=CCC[C@H](C)[C@H]1CN[C@H]1CCCC1(F)F ZINC000673618387 488298298 /nfs/dbraw/zinc/29/82/98/488298298.db2.gz CSTLVNOBOPQHPH-AVGNSLFASA-N 0 1 243.341 3.756 20 0 BHADMN CC1=CCC[C@H](C)[C@H]1CN[C@@H]1CCCC1(F)F ZINC000673618388 488298342 /nfs/dbraw/zinc/29/83/42/488298342.db2.gz CSTLVNOBOPQHPH-RWMBFGLXSA-N 0 1 243.341 3.756 20 0 BHADMN CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCC1(F)F ZINC000673618389 488298037 /nfs/dbraw/zinc/29/80/37/488298037.db2.gz CSTLVNOBOPQHPH-XQQFMLRXSA-N 0 1 243.341 3.756 20 0 BHADMN CC1=CCC[C@H](C)[C@@H]1CN[C@@H]1CCCC1(F)F ZINC000673618390 488298333 /nfs/dbraw/zinc/29/83/33/488298333.db2.gz CSTLVNOBOPQHPH-YNEHKIRRSA-N 0 1 243.341 3.756 20 0 BHADMN C[C@H](CF)NCc1ccc(-c2ccccc2)cc1 ZINC000673619113 488298141 /nfs/dbraw/zinc/29/81/41/488298141.db2.gz BHXBXCXGRHZIIK-CYBMUJFWSA-N 0 1 243.325 3.801 20 0 BHADMN CCCc1ccc(CN(C)Cc2ccc[nH]2)cc1 ZINC000673857070 488310264 /nfs/dbraw/zinc/31/02/64/488310264.db2.gz BAFTUNXAFQKTPQ-UHFFFAOYSA-N 0 1 242.366 3.599 20 0 BHADMN CC(C)CN(C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000673893462 488311783 /nfs/dbraw/zinc/31/17/83/488311783.db2.gz GNIRICZWWCNYLM-LLVKDONJSA-N 0 1 238.375 3.621 20 0 BHADMN CC(C)CN(C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000673893463 488311799 /nfs/dbraw/zinc/31/17/99/488311799.db2.gz GNIRICZWWCNYLM-NSHDSACASA-N 0 1 238.375 3.621 20 0 BHADMN CC(C)=CCN1CC[C@H]1c1cccc(F)c1 ZINC000674009055 487498082 /nfs/dbraw/zinc/49/80/82/487498082.db2.gz FAGXWCMUBOSVOF-AWEZNQCLSA-N 0 1 219.303 3.539 20 0 BHADMN CC(C)=CCN1CC[C@@H]1c1cccc(F)c1 ZINC000674009056 487497790 /nfs/dbraw/zinc/49/77/90/487497790.db2.gz FAGXWCMUBOSVOF-CQSZACIVSA-N 0 1 219.303 3.539 20 0 BHADMN Fc1cccc([C@@H]2CCN2Cc2ccccc2)c1 ZINC000674009546 487497769 /nfs/dbraw/zinc/49/77/69/487497769.db2.gz JKOWDWNVRFWXNI-INIZCTEOSA-N 0 1 241.309 3.773 20 0 BHADMN Fc1cccc([C@H]2CCN2Cc2ccccc2)c1 ZINC000674009547 487497821 /nfs/dbraw/zinc/49/78/21/487497821.db2.gz JKOWDWNVRFWXNI-MRXNPFEDSA-N 0 1 241.309 3.773 20 0 BHADMN Fc1cccc([C@@H]2CCN2[C@@H]2C=CCCC2)c1 ZINC000674009620 487497722 /nfs/dbraw/zinc/49/77/22/487497722.db2.gz KSWLBBCBCSIVNH-CABCVRRESA-N 0 1 231.314 3.681 20 0 BHADMN Fc1cccc([C@@H]2CCN2[C@H]2C=CCCC2)c1 ZINC000674009621 487498633 /nfs/dbraw/zinc/49/86/33/487498633.db2.gz KSWLBBCBCSIVNH-GJZGRUSLSA-N 0 1 231.314 3.681 20 0 BHADMN Fc1cccc([C@H]2CCN2[C@@H]2C=CCCC2)c1 ZINC000674009622 487498694 /nfs/dbraw/zinc/49/86/94/487498694.db2.gz KSWLBBCBCSIVNH-HUUCEWRRSA-N 0 1 231.314 3.681 20 0 BHADMN Fc1cccc([C@H]2CCN2[C@H]2C=CCCC2)c1 ZINC000674009623 487497691 /nfs/dbraw/zinc/49/76/91/487497691.db2.gz KSWLBBCBCSIVNH-LSDHHAIUSA-N 0 1 231.314 3.681 20 0 BHADMN C[C@@H](c1ccncc1)N1CC[C@H]1c1ccccc1 ZINC000674047239 487503476 /nfs/dbraw/zinc/50/34/76/487503476.db2.gz IBOMEAXPKJUYMR-BBRMVZONSA-N 0 1 238.334 3.590 20 0 BHADMN C[C@H](c1ccncc1)N1CC[C@H]1c1ccccc1 ZINC000674047240 487504172 /nfs/dbraw/zinc/50/41/72/487504172.db2.gz IBOMEAXPKJUYMR-CJNGLKHVSA-N 0 1 238.334 3.590 20 0 BHADMN C[C@H](c1ccncc1)N1CC[C@@H]1c1ccccc1 ZINC000674047241 487503496 /nfs/dbraw/zinc/50/34/96/487503496.db2.gz IBOMEAXPKJUYMR-CZUORRHYSA-N 0 1 238.334 3.590 20 0 BHADMN C[C@@H](c1ccncc1)N1CC[C@@H]1c1ccccc1 ZINC000674047242 487504087 /nfs/dbraw/zinc/50/40/87/487504087.db2.gz IBOMEAXPKJUYMR-XJKSGUPXSA-N 0 1 238.334 3.590 20 0 BHADMN Cc1occc1CNCc1ccccc1C1CC1 ZINC000674334313 487561406 /nfs/dbraw/zinc/56/14/06/487561406.db2.gz AVJLFCFENGFHNJ-UHFFFAOYSA-N 0 1 241.334 3.755 20 0 BHADMN Cc1cccc(C)c1CNCc1ccc(Cl)o1 ZINC000675764621 487776289 /nfs/dbraw/zinc/77/62/89/487776289.db2.gz OVJUZBDIZCYAFB-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN CC[C@H](NCc1ccoc1C)c1ccc(F)cc1 ZINC000675779092 487777914 /nfs/dbraw/zinc/77/79/14/487777914.db2.gz DOJVZGTWGFUUSR-HNNXBMFYSA-N 0 1 247.313 3.968 20 0 BHADMN CC[C@@H](NCc1ccoc1C)c1ccc(F)cc1 ZINC000675779093 487778007 /nfs/dbraw/zinc/77/80/07/487778007.db2.gz DOJVZGTWGFUUSR-OAHLLOKOSA-N 0 1 247.313 3.968 20 0 BHADMN CCC[C@H](N[C@H](C)c1ccoc1)c1ccccn1 ZINC000675816829 487782103 /nfs/dbraw/zinc/78/21/03/487782103.db2.gz QFHSWMMPCALRBI-DOMZBBRYSA-N 0 1 244.338 3.867 20 0 BHADMN CCC[C@@H](N[C@H](C)c1ccoc1)c1ccccn1 ZINC000675816830 487782375 /nfs/dbraw/zinc/78/23/75/487782375.db2.gz QFHSWMMPCALRBI-IUODEOHRSA-N 0 1 244.338 3.867 20 0 BHADMN CCC[C@@H](N[C@@H](C)c1ccoc1)c1ccccn1 ZINC000675816831 487782066 /nfs/dbraw/zinc/78/20/66/487782066.db2.gz QFHSWMMPCALRBI-SWLSCSKDSA-N 0 1 244.338 3.867 20 0 BHADMN CCC[C@H](N[C@@H](C)c1ccoc1)c1ccccn1 ZINC000675816832 487782056 /nfs/dbraw/zinc/78/20/56/487782056.db2.gz QFHSWMMPCALRBI-WFASDCNBSA-N 0 1 244.338 3.867 20 0 BHADMN Cc1cccc([C@@H](C)NCc2cncs2)c1C ZINC000676044703 487804479 /nfs/dbraw/zinc/80/44/79/487804479.db2.gz ANFKVOUYLPIQMW-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1cccc([C@H](C)NCc2cncs2)c1C ZINC000676044704 487804121 /nfs/dbraw/zinc/80/41/21/487804121.db2.gz ANFKVOUYLPIQMW-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN CC1=CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000677308001 488043276 /nfs/dbraw/zinc/04/32/76/488043276.db2.gz QIFXCLIYVSBXHN-UHFFFAOYSA-N 0 1 242.297 3.530 20 0 BHADMN Clc1ccc(CN2CCC3(CC3)CC2)s1 ZINC000677718481 488100223 /nfs/dbraw/zinc/10/02/23/488100223.db2.gz CHSMLRIEIWRECT-UHFFFAOYSA-N 0 1 241.787 3.778 20 0 BHADMN CCC(C)(C)CCN1CCC[C@H]1C(F)F ZINC000677737873 488115919 /nfs/dbraw/zinc/11/59/19/488115919.db2.gz RNOSZGUGZJBOIX-JTQLQIEISA-N 0 1 219.319 3.542 20 0 BHADMN CCC[C@H](NCc1ccoc1C)c1ccccn1 ZINC000678029215 488174893 /nfs/dbraw/zinc/17/48/93/488174893.db2.gz VRAJVMKCWAHCAM-AWEZNQCLSA-N 0 1 244.338 3.614 20 0 BHADMN CCC[C@@H](NCc1ccoc1C)c1ccccn1 ZINC000678029216 488175036 /nfs/dbraw/zinc/17/50/36/488175036.db2.gz VRAJVMKCWAHCAM-CQSZACIVSA-N 0 1 244.338 3.614 20 0 BHADMN FC(F)C1CN(Cc2ccc3ccccc3c2)C1 ZINC000678053124 488188624 /nfs/dbraw/zinc/18/86/24/488188624.db2.gz KJGRKNHCONTJMI-UHFFFAOYSA-N 0 1 247.288 3.537 20 0 BHADMN C[C@@H]1CCCCN1Cc1cscc1Cl ZINC000678120655 488199807 /nfs/dbraw/zinc/19/98/07/488199807.db2.gz GYZVKZCKHXYJBB-SECBINFHSA-N 0 1 229.776 3.776 20 0 BHADMN C[C@H]1CCCCN1Cc1cscc1Cl ZINC000678120657 488199795 /nfs/dbraw/zinc/19/97/95/488199795.db2.gz GYZVKZCKHXYJBB-VIFPVBQESA-N 0 1 229.776 3.776 20 0 BHADMN C[C@@H]1CCCN(Cc2cscc2Cl)C1 ZINC000678120826 488198958 /nfs/dbraw/zinc/19/89/58/488198958.db2.gz QADYFLCHJGMCBO-SECBINFHSA-N 0 1 229.776 3.633 20 0 BHADMN C[C@H]1CCCN(Cc2cscc2Cl)C1 ZINC000678120827 488198983 /nfs/dbraw/zinc/19/89/83/488198983.db2.gz QADYFLCHJGMCBO-VIFPVBQESA-N 0 1 229.776 3.633 20 0 BHADMN CC1CCN(Cc2cscc2Cl)CC1 ZINC000678121236 488200716 /nfs/dbraw/zinc/20/07/16/488200716.db2.gz ZDHDPDQJTCXRNM-UHFFFAOYSA-N 0 1 229.776 3.633 20 0 BHADMN CN(Cc1ccco1)Cc1ccccc1C1CC1 ZINC000678124187 488200445 /nfs/dbraw/zinc/20/04/45/488200445.db2.gz SSXCCHZLKAVOKA-UHFFFAOYSA-N 0 1 241.334 3.789 20 0 BHADMN Cc1ccc(CN(C)Cc2ccsc2)cc1F ZINC000678126433 488201555 /nfs/dbraw/zinc/20/15/55/488201555.db2.gz RDCQCVWVRAOECJ-UHFFFAOYSA-N 0 1 249.354 3.828 20 0 BHADMN CN(Cc1cscc1Cl)C1CCCC1 ZINC000678128332 488202077 /nfs/dbraw/zinc/20/20/77/488202077.db2.gz RVGQRLAWGFIQBL-UHFFFAOYSA-N 0 1 229.776 3.776 20 0 BHADMN Clc1cscc1CN1C2CCC1CC2 ZINC000678131501 488201713 /nfs/dbraw/zinc/20/17/13/488201713.db2.gz AFGFCXDTZOTTMU-UHFFFAOYSA-N 0 1 227.760 3.528 20 0 BHADMN CC(C)CCN(C)Cc1cscc1Cl ZINC000678136801 488203809 /nfs/dbraw/zinc/20/38/09/488203809.db2.gz IRXQMKLVIFXNCG-UHFFFAOYSA-N 0 1 231.792 3.879 20 0 BHADMN CC(C)CCN(C)Cc1cc(F)c(F)cc1F ZINC000678138046 488204105 /nfs/dbraw/zinc/20/41/05/488204105.db2.gz ZWIGCZLJNZLYOH-UHFFFAOYSA-N 0 1 245.288 3.582 20 0 BHADMN CCCN(Cc1cscc1Cl)C1CC1 ZINC000678138201 488204202 /nfs/dbraw/zinc/20/42/02/488204202.db2.gz MILFTSUBYFOZBZ-UHFFFAOYSA-N 0 1 229.776 3.776 20 0 BHADMN C[C@H](C1CC1)N(C)Cc1cscc1Cl ZINC000678144906 488207601 /nfs/dbraw/zinc/20/76/01/488207601.db2.gz ULONJLNXHFSXHA-MRVPVSSYSA-N 0 1 229.776 3.632 20 0 BHADMN C[C@@H](C1CC1)N(C)Cc1cscc1Cl ZINC000678144914 488207150 /nfs/dbraw/zinc/20/71/50/488207150.db2.gz ULONJLNXHFSXHA-QMMMGPOBSA-N 0 1 229.776 3.632 20 0 BHADMN CC(C)N(Cc1cscc1Cl)C1CC1 ZINC000678152056 488208363 /nfs/dbraw/zinc/20/83/63/488208363.db2.gz CLFPKEMUXAWVFR-UHFFFAOYSA-N 0 1 229.776 3.774 20 0 BHADMN CC[C@@H](C)CN(C)Cc1cscc1Cl ZINC000678172726 488212118 /nfs/dbraw/zinc/21/21/18/488212118.db2.gz JCTBEECYGOSIIR-SECBINFHSA-N 0 1 231.792 3.879 20 0 BHADMN CC[C@H](C)CN(C)Cc1cscc1Cl ZINC000678172727 488212666 /nfs/dbraw/zinc/21/26/66/488212666.db2.gz JCTBEECYGOSIIR-VIFPVBQESA-N 0 1 231.792 3.879 20 0 BHADMN CN(Cc1cscc1Cl)CC(C)(C)C ZINC000678195195 488215786 /nfs/dbraw/zinc/21/57/86/488215786.db2.gz AGTBKGQXZGXFPN-UHFFFAOYSA-N 0 1 231.792 3.879 20 0 BHADMN CN(Cc1ccoc1)Cc1ccccc1C1CC1 ZINC000678210141 488217271 /nfs/dbraw/zinc/21/72/71/488217271.db2.gz GGPPIUXVMPJFLS-UHFFFAOYSA-N 0 1 241.334 3.789 20 0 BHADMN CC1(C)CN(Cc2ccco2)[C@H]1c1ccccc1 ZINC000678213890 488218448 /nfs/dbraw/zinc/21/84/48/488218448.db2.gz HYHMZNKNDKNGRX-HNNXBMFYSA-N 0 1 241.334 3.863 20 0 BHADMN CC1(C)CN(Cc2ccco2)[C@@H]1c1ccccc1 ZINC000678213891 488217933 /nfs/dbraw/zinc/21/79/33/488217933.db2.gz HYHMZNKNDKNGRX-OAHLLOKOSA-N 0 1 241.334 3.863 20 0 BHADMN CCc1ccc(CN(CC)Cc2ccoc2)s1 ZINC000678233579 488216587 /nfs/dbraw/zinc/21/65/87/488216587.db2.gz JHCHKAHWCJAAFF-UHFFFAOYSA-N 0 1 249.379 3.926 20 0 BHADMN CCN(Cc1ccoc1)Cc1ccc(F)c(C)c1 ZINC000678233785 488221424 /nfs/dbraw/zinc/22/14/24/488221424.db2.gz XZIYYMHKBFQODX-UHFFFAOYSA-N 0 1 247.313 3.749 20 0 BHADMN CCN(Cc1ccoc1)Cc1ccc(C)c(F)c1 ZINC000678233829 488222080 /nfs/dbraw/zinc/22/20/80/488222080.db2.gz ARZKOUVMWCGQMK-UHFFFAOYSA-N 0 1 247.313 3.749 20 0 BHADMN CCN(Cc1ccoc1)Cc1ccc(F)cc1C ZINC000678233895 488221759 /nfs/dbraw/zinc/22/17/59/488221759.db2.gz FVXNOOZEMOCMER-UHFFFAOYSA-N 0 1 247.313 3.749 20 0 BHADMN Cc1ccc(CN2CCCc3sccc3C2)o1 ZINC000678259206 488227829 /nfs/dbraw/zinc/22/78/29/488227829.db2.gz FTUNKZHPQZPLEJ-UHFFFAOYSA-N 0 1 247.363 3.598 20 0 BHADMN CC1(C)CCN(Cc2cscc2Cl)C1 ZINC000678261037 488228656 /nfs/dbraw/zinc/22/86/56/488228656.db2.gz SAFICYRYKFYKET-UHFFFAOYSA-N 0 1 229.776 3.633 20 0 BHADMN CCN(Cc1cscc1Cl)CC1CC1 ZINC000678263578 488225491 /nfs/dbraw/zinc/22/54/91/488225491.db2.gz LDCAJYMVKAZRLU-UHFFFAOYSA-N 0 1 229.776 3.633 20 0 BHADMN Clc1cscc1CN1CCC2(CCC2)C1 ZINC000678268559 488231309 /nfs/dbraw/zinc/23/13/09/488231309.db2.gz JRVJLXFGJXPFKS-UHFFFAOYSA-N 0 1 241.787 3.778 20 0 BHADMN CCN(Cc1cscc1Cl)C1CCC1 ZINC000678272144 488233437 /nfs/dbraw/zinc/23/34/37/488233437.db2.gz ANKBCJUVTNLRMR-UHFFFAOYSA-N 0 1 229.776 3.776 20 0 BHADMN Clc1ccc(CN2C3CCCC2CCC3)o1 ZINC000678281658 488236448 /nfs/dbraw/zinc/23/64/48/488236448.db2.gz SDSMWKHFJAGXJR-UHFFFAOYSA-N 0 1 239.746 3.840 20 0 BHADMN CN(Cc1ccc[nH]1)Cc1ccccc1C1CC1 ZINC000678294485 488067717 /nfs/dbraw/zinc/06/77/17/488067717.db2.gz JHILOWXDGRWMPU-UHFFFAOYSA-N 0 1 240.350 3.524 20 0 BHADMN CN(CCC1CC1)Cc1cscc1Cl ZINC000678339590 488242914 /nfs/dbraw/zinc/24/29/14/488242914.db2.gz PNEUVIYAIRFZIZ-UHFFFAOYSA-N 0 1 229.776 3.633 20 0 BHADMN CC(C)N(Cc1ncc(C(C)(C)C)o1)C(C)C ZINC000678714295 488276986 /nfs/dbraw/zinc/27/69/86/488276986.db2.gz BMUGCCNDRHKHLM-UHFFFAOYSA-N 0 1 238.375 3.591 20 0 BHADMN CC(C)[C@H]1CCN1Cc1cscc1Cl ZINC000678850730 488290977 /nfs/dbraw/zinc/29/09/77/488290977.db2.gz HSPVFWQDGLFWTI-LLVKDONJSA-N 0 1 229.776 3.632 20 0 BHADMN CC(C)[C@@H]1CCN1Cc1cscc1Cl ZINC000678850731 488287456 /nfs/dbraw/zinc/28/74/56/488287456.db2.gz HSPVFWQDGLFWTI-NSHDSACASA-N 0 1 229.776 3.632 20 0 BHADMN Cc1cc(CN2CC[C@@H](C)[C@H](F)C2)c(C)s1 ZINC000679218087 488317832 /nfs/dbraw/zinc/31/78/32/488317832.db2.gz CFCOEOFHZIJAJE-NOZJJQNGSA-N 0 1 241.375 3.545 20 0 BHADMN Cc1cc(CN2CC[C@@H](C)[C@@H](F)C2)c(C)s1 ZINC000679218090 488317878 /nfs/dbraw/zinc/31/78/78/488317878.db2.gz CFCOEOFHZIJAJE-RNCFNFMXSA-N 0 1 241.375 3.545 20 0 BHADMN Cc1cc(CN2CC[C@H](C)[C@H](F)C2)c(C)s1 ZINC000679218094 488317855 /nfs/dbraw/zinc/31/78/55/488317855.db2.gz CFCOEOFHZIJAJE-TVQRCGJNSA-N 0 1 241.375 3.545 20 0 BHADMN Cc1cc(CN2CC[C@H](C)[C@@H](F)C2)c(C)s1 ZINC000679218096 488317979 /nfs/dbraw/zinc/31/79/79/488317979.db2.gz CFCOEOFHZIJAJE-ZANVPECISA-N 0 1 241.375 3.545 20 0 BHADMN C[C@H](c1cccc(Cl)c1)N1CC=CCC1 ZINC000679321406 488334799 /nfs/dbraw/zinc/33/47/99/488334799.db2.gz BBFCOMKUUSUXML-LLVKDONJSA-N 0 1 221.731 3.663 20 0 BHADMN C[C@@H](c1cccc(Cl)c1)N1CC=CCC1 ZINC000679321407 488334442 /nfs/dbraw/zinc/33/44/42/488334442.db2.gz BBFCOMKUUSUXML-NSHDSACASA-N 0 1 221.731 3.663 20 0 BHADMN C[C@H](c1ccccc1Cl)N1CC=CCC1 ZINC000679322746 488336721 /nfs/dbraw/zinc/33/67/21/488336721.db2.gz NAGOZAMOYQZJOR-LLVKDONJSA-N 0 1 221.731 3.663 20 0 BHADMN C[C@@H](c1ccccc1Cl)N1CC=CCC1 ZINC000679322747 488336554 /nfs/dbraw/zinc/33/65/54/488336554.db2.gz NAGOZAMOYQZJOR-NSHDSACASA-N 0 1 221.731 3.663 20 0 BHADMN C[C@H](c1ccc(Cl)cc1)N1CC=CCC1 ZINC000679322974 487903131 /nfs/dbraw/zinc/90/31/31/487903131.db2.gz DZJLJNIEGIWHRC-LLVKDONJSA-N 0 1 221.731 3.663 20 0 BHADMN C[C@@H](c1ccc(Cl)cc1)N1CC=CCC1 ZINC000679323175 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3.614 20 0 BHADMN FC(F)[C@@H]1CCCN1CC1CCCCCC1 ZINC000680817993 487651183 /nfs/dbraw/zinc/65/11/83/487651183.db2.gz JPSJDCOXBOGRLM-LBPRGKRZSA-N 0 1 231.330 3.686 20 0 BHADMN Cc1occc1CNCc1ccc(Cl)cc1C ZINC000680971605 487685238 /nfs/dbraw/zinc/68/52/38/487685238.db2.gz DTAQLEPTCMQTNB-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN CCCCOc1ccccc1CN1CC=CCC1 ZINC000681081152 487716388 /nfs/dbraw/zinc/71/63/88/487716388.db2.gz BJOFWHRIFZALPQ-UHFFFAOYSA-N 0 1 245.366 3.627 20 0 BHADMN CCSc1cccc(C[N@@H+]2CC=CCC2)c1 ZINC000681166328 487739650 /nfs/dbraw/zinc/73/96/50/487739650.db2.gz VXKJZIYFGXCZMX-UHFFFAOYSA-N 0 1 233.380 3.561 20 0 BHADMN Clc1cscc1CN1CCCC2(CC2)C1 ZINC000681167955 487740540 /nfs/dbraw/zinc/74/05/40/487740540.db2.gz DJIZQBHLDATJOD-UHFFFAOYSA-N 0 1 241.787 3.778 20 0 BHADMN CCCc1cccc(CNCc2ccoc2C)c1 ZINC000681366352 487785875 /nfs/dbraw/zinc/78/58/75/487785875.db2.gz PQWJKBHLGYECMA-UHFFFAOYSA-N 0 1 243.350 3.830 20 0 BHADMN CC(C)c1cccc(CNCc2ccoc2)c1 ZINC000681367704 487786533 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UXTRONKUYPTXKS-LBPRGKRZSA-N 0 1 235.758 3.705 20 0 BHADMN CCc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000682517255 487975137 /nfs/dbraw/zinc/97/51/37/487975137.db2.gz UQMAFDMEFOIXNA-UHFFFAOYSA-N 0 1 245.391 3.943 20 0 BHADMN CCc1cccc(CN(CC)Cc2ccoc2)c1 ZINC000682522095 488092081 /nfs/dbraw/zinc/09/20/81/488092081.db2.gz DVEFXPVSKQAFTI-UHFFFAOYSA-N 0 1 243.350 3.864 20 0 BHADMN CCc1cccc(CN[C@H](C)c2ccco2)c1 ZINC000682533170 487979623 /nfs/dbraw/zinc/97/96/23/487979623.db2.gz WKWDGSPNUICFTH-GFCCVEGCSA-N 0 1 229.323 3.693 20 0 BHADMN CCc1cccc(CN[C@@H](C)c2ccco2)c1 ZINC000682533171 488096351 /nfs/dbraw/zinc/09/63/51/488096351.db2.gz WKWDGSPNUICFTH-LBPRGKRZSA-N 0 1 229.323 3.693 20 0 BHADMN CCc1cccc(CN[C@H](C)c2ccoc2)c1 ZINC000682534745 487980046 /nfs/dbraw/zinc/98/00/46/487980046.db2.gz XKICTBWCGNLYJT-GFCCVEGCSA-N 0 1 229.323 3.693 20 0 BHADMN CCc1cccc(CN[C@@H](C)c2ccoc2)c1 ZINC000682534746 487980032 /nfs/dbraw/zinc/98/00/32/487980032.db2.gz XKICTBWCGNLYJT-LBPRGKRZSA-N 0 1 229.323 3.693 20 0 BHADMN 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488092393 /nfs/dbraw/zinc/09/23/93/488092393.db2.gz LLVUEXXURPCHTP-INIZCTEOSA-N 0 1 246.398 3.792 20 0 BHADMN CCC[C@]1(C)CCC[N@@H+](Cc2cc(C)ccn2)C1 ZINC000683012430 488092229 /nfs/dbraw/zinc/09/22/29/488092229.db2.gz LLVUEXXURPCHTP-MRXNPFEDSA-N 0 1 246.398 3.792 20 0 BHADMN Cc1ccnc(C[N@@H+]2CCC[C@@H](CC(C)C)C2)c1 ZINC000683013573 488091599 /nfs/dbraw/zinc/09/15/99/488091599.db2.gz IUZWACRXCKKCIA-HNNXBMFYSA-N 0 1 246.398 3.648 20 0 BHADMN Cc1ccnc(C[N@@H+]2CCC[C@H](CC(C)C)C2)c1 ZINC000683013574 488091895 /nfs/dbraw/zinc/09/18/95/488091895.db2.gz IUZWACRXCKKCIA-OAHLLOKOSA-N 0 1 246.398 3.648 20 0 BHADMN Cc1occc1CNCc1ccc(C)c(Cl)c1 ZINC000683471156 488169611 /nfs/dbraw/zinc/16/96/11/488169611.db2.gz AZPARWKEXPAZPZ-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN CC[N@@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC000683518787 488182540 /nfs/dbraw/zinc/18/25/40/488182540.db2.gz KQOAZACMDFVYKB-UHFFFAOYSA-N 0 1 231.364 3.867 20 0 BHADMN c1cc(C2CCC2)ccc1C[N@@H+]1CC=CCC1 ZINC000683787153 488221982 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/nfs/dbraw/zinc/33/22/03/488332203.db2.gz DBYCYVPRRZNJHM-CYBMUJFWSA-N 0 1 236.359 3.537 20 0 BHADMN CC(C)=CCC[C@H](C)CCNCc1cocn1 ZINC000684613211 488331952 /nfs/dbraw/zinc/33/19/52/488331952.db2.gz DBYCYVPRRZNJHM-ZDUSSCGKSA-N 0 1 236.359 3.537 20 0 BHADMN CC1=C(C)CN(Cc2cscc2Cl)CC1 ZINC000684614430 488332071 /nfs/dbraw/zinc/33/20/71/488332071.db2.gz KTXKYEVVEJTXGB-UHFFFAOYSA-N 0 1 241.787 3.944 20 0 BHADMN C[C@@H](c1cccc(F)c1)N1CCC(F)(F)CC1 ZINC000684623878 488334528 /nfs/dbraw/zinc/33/45/28/488334528.db2.gz JXJGZHIHOBQQNX-JTQLQIEISA-N 0 1 243.272 3.618 20 0 BHADMN C[C@H](c1cccc(F)c1)N1CCC(F)(F)CC1 ZINC000684623879 488334451 /nfs/dbraw/zinc/33/44/51/488334451.db2.gz JXJGZHIHOBQQNX-SNVBAGLBSA-N 0 1 243.272 3.618 20 0 BHADMN C[C@@H](c1ccc(F)cc1)N1CCC(F)(F)CC1 ZINC000684624816 488334471 /nfs/dbraw/zinc/33/44/71/488334471.db2.gz XNTWHOPBJHQVOK-JTQLQIEISA-N 0 1 243.272 3.618 20 0 BHADMN C[C@H](c1ccc(F)cc1)N1CCC(F)(F)CC1 ZINC000684624817 488334749 /nfs/dbraw/zinc/33/47/49/488334749.db2.gz XNTWHOPBJHQVOK-SNVBAGLBSA-N 0 1 243.272 3.618 20 0 BHADMN CC1=C[C@@H](C)CN(Cc2cscc2Cl)C1 ZINC000684683656 488338928 /nfs/dbraw/zinc/33/89/28/488338928.db2.gz RXCPRBIFMZDNCR-SECBINFHSA-N 0 1 241.787 3.800 20 0 BHADMN CC1=C[C@H](C)CN(Cc2cscc2Cl)C1 ZINC000684683659 488338939 /nfs/dbraw/zinc/33/89/39/488338939.db2.gz RXCPRBIFMZDNCR-VIFPVBQESA-N 0 1 241.787 3.800 20 0 BHADMN Clc1ccc(CN2CCC3(CCC3)CC2)o1 ZINC000685444329 487524697 /nfs/dbraw/zinc/52/46/97/487524697.db2.gz SMTNBLDYBBAVLS-UHFFFAOYSA-N 0 1 239.746 3.699 20 0 BHADMN Clc1ccc(CN2CCC[C@@H](C3CC3)C2)o1 ZINC000685476091 487536945 /nfs/dbraw/zinc/53/69/45/487536945.db2.gz HGLZVXXEBNOHES-LLVKDONJSA-N 0 1 239.746 3.555 20 0 BHADMN Clc1ccc(CN2CCC[C@H](C3CC3)C2)o1 ZINC000685476092 487536458 /nfs/dbraw/zinc/53/64/58/487536458.db2.gz HGLZVXXEBNOHES-NSHDSACASA-N 0 1 239.746 3.555 20 0 BHADMN CC(C)N(Cc1cc(C(C)(C)C)on1)C(C)C ZINC000685570670 487552653 /nfs/dbraw/zinc/55/26/53/487552653.db2.gz NKTAHYJNPAMPDZ-UHFFFAOYSA-N 0 1 238.375 3.591 20 0 BHADMN CCCC1CCC([N@@H+](C)Cc2[nH]ncc2C)CC1 ZINC000685844679 487587148 /nfs/dbraw/zinc/58/71/48/487587148.db2.gz UKGMFCBFKGFNNN-UHFFFAOYSA-N 0 1 249.402 3.509 20 0 BHADMN CSc1ccc(CN2CC(C(C)C)C2)s1 ZINC000685845639 487586723 /nfs/dbraw/zinc/58/67/23/487586723.db2.gz TYGGQEIIDIQYNI-UHFFFAOYSA-N 0 1 241.425 3.558 20 0 BHADMN CCCCCC(C)(C)CNCc1ncc(C)o1 ZINC000700370719 711990671 /nfs/dbraw/zinc/99/06/71/711990671.db2.gz NUJNLOOBCBBVJL-UHFFFAOYSA-N 0 1 238.375 3.679 20 0 BHADMN CC(C)(C)[C@H](N)c1cc(-c2ccc(F)cc2)no1 ZINC000702252770 712041768 /nfs/dbraw/zinc/04/17/68/712041768.db2.gz BDTFUJYYJWSDDC-CYBMUJFWSA-N 0 1 248.301 3.527 20 0 BHADMN CC(C)(C)[C@@H](N)c1cc(-c2ccc(F)cc2)no1 ZINC000702252774 712041720 /nfs/dbraw/zinc/04/17/20/712041720.db2.gz BDTFUJYYJWSDDC-ZDUSSCGKSA-N 0 1 248.301 3.527 20 0 BHADMN Cc1ccc(-c2cc([C@H](N)C(C)(C)C)on2)cc1 ZINC000702253982 712041930 /nfs/dbraw/zinc/04/19/30/712041930.db2.gz IDZDZMAXZQWTHN-AWEZNQCLSA-N 0 1 244.338 3.696 20 0 BHADMN Cc1ccc(-c2cc([C@@H](N)C(C)(C)C)on2)cc1 ZINC000702253986 712041463 /nfs/dbraw/zinc/04/14/63/712041463.db2.gz IDZDZMAXZQWTHN-CQSZACIVSA-N 0 1 244.338 3.696 20 0 BHADMN CC(C)(C)[C@H](N)c1cc(-c2ccccc2F)no1 ZINC000702258757 712042501 /nfs/dbraw/zinc/04/25/01/712042501.db2.gz SRRYAUKTVIKUCE-CYBMUJFWSA-N 0 1 248.301 3.527 20 0 BHADMN CC(C)(C)[C@@H](N)c1cc(-c2ccccc2F)no1 ZINC000702258761 712042464 /nfs/dbraw/zinc/04/24/64/712042464.db2.gz SRRYAUKTVIKUCE-ZDUSSCGKSA-N 0 1 248.301 3.527 20 0 BHADMN Cc1ccccc1-c1cc([C@H](N)C(C)(C)C)on1 ZINC000702258820 712042400 /nfs/dbraw/zinc/04/24/00/712042400.db2.gz UDEUJECLFZHWFF-AWEZNQCLSA-N 0 1 244.338 3.696 20 0 BHADMN Cc1ccccc1-c1cc([C@@H](N)C(C)(C)C)on1 ZINC000702258822 712042287 /nfs/dbraw/zinc/04/22/87/712042287.db2.gz UDEUJECLFZHWFF-CQSZACIVSA-N 0 1 244.338 3.696 20 0 BHADMN C[C@H](NCC1=CCCC1)c1c(F)cccc1F ZINC000702417912 712052393 /nfs/dbraw/zinc/05/23/93/712052393.db2.gz SNBNGOAPQLVSKA-JTQLQIEISA-N 0 1 237.293 3.726 20 0 BHADMN C[C@@H](NCC1=CCCC1)c1c(F)cccc1F ZINC000702417913 712052449 /nfs/dbraw/zinc/05/24/49/712052449.db2.gz SNBNGOAPQLVSKA-SNVBAGLBSA-N 0 1 237.293 3.726 20 0 BHADMN CC(C)(C)[C@H](N)c1cc(-c2cccc(F)c2)no1 ZINC000705243961 712126491 /nfs/dbraw/zinc/12/64/91/712126491.db2.gz KFKZVPQCPFLABA-CYBMUJFWSA-N 0 1 248.301 3.527 20 0 BHADMN CC(C)(C)[C@@H](N)c1cc(-c2cccc(F)c2)no1 ZINC000705243963 712126534 /nfs/dbraw/zinc/12/65/34/712126534.db2.gz KFKZVPQCPFLABA-ZDUSSCGKSA-N 0 1 248.301 3.527 20 0 BHADMN Cc1cccc(CN[C@H](C)c2ccns2)c1C ZINC000715918556 712542352 /nfs/dbraw/zinc/54/23/52/712542352.db2.gz GAFWNQYTNGMAKW-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1cccc(CN[C@@H](C)c2ccns2)c1C ZINC000715918560 712542046 /nfs/dbraw/zinc/54/20/46/712542046.db2.gz GAFWNQYTNGMAKW-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccns2)cc1C ZINC000715922245 712542742 /nfs/dbraw/zinc/54/27/42/712542742.db2.gz QEMSXNNHNMJZHC-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccns2)cc1C ZINC000715922246 712542627 /nfs/dbraw/zinc/54/26/27/712542627.db2.gz QEMSXNNHNMJZHC-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc(C)c(CN[C@H](C)c2ccns2)c1 ZINC000715925025 712543164 /nfs/dbraw/zinc/54/31/64/712543164.db2.gz BFEUYPBQHUYSBF-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc(C)c(CN[C@@H](C)c2ccns2)c1 ZINC000715925027 712543222 /nfs/dbraw/zinc/54/32/22/712543222.db2.gz BFEUYPBQHUYSBF-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccns1 ZINC000715925588 712543102 /nfs/dbraw/zinc/54/31/02/712543102.db2.gz DJRLBPYEVYDQIY-NEPJUHHUSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1ccccc1[C@H](C)N[C@H](C)c1ccns1 ZINC000715925589 712543120 /nfs/dbraw/zinc/54/31/20/712543120.db2.gz DJRLBPYEVYDQIY-NWDGAFQWSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccns1 ZINC000715925590 712543009 /nfs/dbraw/zinc/54/30/09/712543009.db2.gz DJRLBPYEVYDQIY-RYUDHWBXSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccns1 ZINC000715925591 712543116 /nfs/dbraw/zinc/54/31/16/712543116.db2.gz DJRLBPYEVYDQIY-VXGBXAGGSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1cccc([C@@H](C)N[C@@H](C)c2ccns2)c1 ZINC000715927081 712543086 /nfs/dbraw/zinc/54/30/86/712543086.db2.gz MBCZKINTOYPCSX-NEPJUHHUSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1cccc([C@H](C)N[C@H](C)c2ccns2)c1 ZINC000715927084 712542997 /nfs/dbraw/zinc/54/29/97/712542997.db2.gz MBCZKINTOYPCSX-NWDGAFQWSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1cccc([C@H](C)N[C@@H](C)c2ccns2)c1 ZINC000715927085 712543005 /nfs/dbraw/zinc/54/30/05/712543005.db2.gz MBCZKINTOYPCSX-RYUDHWBXSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1cccc([C@@H](C)N[C@H](C)c2ccns2)c1 ZINC000715927088 712542940 /nfs/dbraw/zinc/54/29/40/712542940.db2.gz MBCZKINTOYPCSX-VXGBXAGGSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccns2)c(C)c1 ZINC000715927106 712543180 /nfs/dbraw/zinc/54/31/80/712543180.db2.gz MFYYBOCWSPOVBU-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccns2)c(C)c1 ZINC000715927109 712543075 /nfs/dbraw/zinc/54/30/75/712543075.db2.gz MFYYBOCWSPOVBU-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN CCc1ccc(CN[C@H](C)c2ccns2)cc1 ZINC000715927239 712543346 /nfs/dbraw/zinc/54/33/46/712543346.db2.gz NLNINQIHOLHGSA-LLVKDONJSA-N 0 1 246.379 3.556 20 0 BHADMN CCc1ccc(CN[C@@H](C)c2ccns2)cc1 ZINC000715927240 712543167 /nfs/dbraw/zinc/54/31/67/712543167.db2.gz NLNINQIHOLHGSA-NSHDSACASA-N 0 1 246.379 3.556 20 0 BHADMN Cc1cccc(C)c1CN[C@H](C)c1ccns1 ZINC000715927576 712543113 /nfs/dbraw/zinc/54/31/13/712543113.db2.gz OKZMIEXQIPEXTJ-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1cccc(C)c1CN[C@@H](C)c1ccns1 ZINC000715927578 712543070 /nfs/dbraw/zinc/54/30/70/712543070.db2.gz OKZMIEXQIPEXTJ-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccns2)cc1 ZINC000715928070 712543286 /nfs/dbraw/zinc/54/32/86/712543286.db2.gz SAPFJQCGFCEMAP-NEPJUHHUSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1ccc([C@H](C)N[C@H](C)c2ccns2)cc1 ZINC000715928071 712542953 /nfs/dbraw/zinc/54/29/53/712542953.db2.gz SAPFJQCGFCEMAP-NWDGAFQWSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccns2)cc1 ZINC000715928072 712543322 /nfs/dbraw/zinc/54/33/22/712543322.db2.gz SAPFJQCGFCEMAP-RYUDHWBXSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccns2)cc1 ZINC000715928074 712543149 /nfs/dbraw/zinc/54/31/49/712543149.db2.gz SAPFJQCGFCEMAP-VXGBXAGGSA-N 0 1 246.379 3.863 20 0 BHADMN Cc1cc(C)cc(CN[C@H](C)c2ccns2)c1 ZINC000715929051 712543526 /nfs/dbraw/zinc/54/35/26/712543526.db2.gz XHLZFAAASXMLQF-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1cc(C)cc(CN[C@@H](C)c2ccns2)c1 ZINC000715929061 712543758 /nfs/dbraw/zinc/54/37/58/712543758.db2.gz XHLZFAAASXMLQF-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN CCc1ccccc1CN[C@H](C)c1ccns1 ZINC000715929085 712543893 /nfs/dbraw/zinc/54/38/93/712543893.db2.gz XJLOBPUKGHEKNP-LLVKDONJSA-N 0 1 246.379 3.556 20 0 BHADMN CCc1ccccc1CN[C@@H](C)c1ccns1 ZINC000715929088 712543488 /nfs/dbraw/zinc/54/34/88/712543488.db2.gz XJLOBPUKGHEKNP-NSHDSACASA-N 0 1 246.379 3.556 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccns1)c1cccs1 ZINC000715998509 712551669 /nfs/dbraw/zinc/55/16/69/712551669.db2.gz OBAIURVDIYVUMP-BDAKNGLRSA-N 0 1 238.381 3.616 20 0 BHADMN C[C@@H](N[C@@H](C)c1cccs1)c1ccns1 ZINC000715998512 712551574 /nfs/dbraw/zinc/55/15/74/712551574.db2.gz OBAIURVDIYVUMP-DTWKUNHWSA-N 0 1 238.381 3.616 20 0 BHADMN C[C@H](N[C@@H](C)c1ccns1)c1cccs1 ZINC000715998790 712551851 /nfs/dbraw/zinc/55/18/51/712551851.db2.gz OBAIURVDIYVUMP-IUCAKERBSA-N 0 1 238.381 3.616 20 0 BHADMN C[C@@H](N[C@H](C)c1ccns1)c1cccs1 ZINC000715998833 712551881 /nfs/dbraw/zinc/55/18/81/712551881.db2.gz OBAIURVDIYVUMP-RKDXNWHRSA-N 0 1 238.381 3.616 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccns1)c1ccsc1 ZINC000716000429 712551567 /nfs/dbraw/zinc/55/15/67/712551567.db2.gz SYIVPRAGDNWDMZ-BDAKNGLRSA-N 0 1 238.381 3.616 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccsc1)c1ccns1 ZINC000716000433 712552225 /nfs/dbraw/zinc/55/22/25/712552225.db2.gz SYIVPRAGDNWDMZ-DTWKUNHWSA-N 0 1 238.381 3.616 20 0 BHADMN C[C@H](N[C@@H](C)c1ccns1)c1ccsc1 ZINC000716000438 712552166 /nfs/dbraw/zinc/55/21/66/712552166.db2.gz SYIVPRAGDNWDMZ-IUCAKERBSA-N 0 1 238.381 3.616 20 0 BHADMN C[C@@H](N[C@H](C)c1ccns1)c1ccsc1 ZINC000716000440 712552200 /nfs/dbraw/zinc/55/22/00/712552200.db2.gz SYIVPRAGDNWDMZ-RKDXNWHRSA-N 0 1 238.381 3.616 20 0 BHADMN C[C@@H](N[C@H](C)c1ccccc1)c1ccns1 ZINC000716029007 712547478 /nfs/dbraw/zinc/54/74/78/712547478.db2.gz GFYJBJHTPKZHPV-GHMZBOCLSA-N 0 1 232.352 3.555 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccns1)c1ccccc1 ZINC000716029009 712547249 /nfs/dbraw/zinc/54/72/49/712547249.db2.gz GFYJBJHTPKZHPV-MNOVXSKESA-N 0 1 232.352 3.555 20 0 BHADMN C[C@H](N[C@@H](C)c1ccccc1)c1ccns1 ZINC000716029011 712547277 /nfs/dbraw/zinc/54/72/77/712547277.db2.gz GFYJBJHTPKZHPV-QWRGUYRKSA-N 0 1 232.352 3.555 20 0 BHADMN C[C@@H](N[C@@H](C)c1ccccc1)c1ccns1 ZINC000716029013 712547339 /nfs/dbraw/zinc/54/73/39/712547339.db2.gz GFYJBJHTPKZHPV-WDEREUQCSA-N 0 1 232.352 3.555 20 0 BHADMN Cc1coc(CN[C@@H]2CCCc3sccc32)c1 ZINC000718036869 712737260 /nfs/dbraw/zinc/73/72/60/712737260.db2.gz VDCSHIQRMLQXQL-CYBMUJFWSA-N 0 1 247.363 3.817 20 0 BHADMN Cc1coc(CN[C@H]2CCCc3sccc32)c1 ZINC000718036870 712737523 /nfs/dbraw/zinc/73/75/23/712737523.db2.gz VDCSHIQRMLQXQL-ZDUSSCGKSA-N 0 1 247.363 3.817 20 0 BHADMN Cc1coc(CN[C@H](C)c2ccc(C)s2)c1 ZINC000718057688 712740167 /nfs/dbraw/zinc/74/01/67/712740167.db2.gz INOGWGTVURPMFH-LLVKDONJSA-N 0 1 235.352 3.809 20 0 BHADMN Cc1coc(CN[C@@H](C)c2ccc(C)s2)c1 ZINC000718057695 712740150 /nfs/dbraw/zinc/74/01/50/712740150.db2.gz INOGWGTVURPMFH-NSHDSACASA-N 0 1 235.352 3.809 20 0 BHADMN CCc1ccc(CNCc2cc(C)co2)s1 ZINC000718060364 712740056 /nfs/dbraw/zinc/74/00/56/712740056.db2.gz ZLHDSXBJNHKRKB-UHFFFAOYSA-N 0 1 235.352 3.502 20 0 BHADMN Cc1coc(CN[C@H]2CCCc3ccccc32)c1 ZINC000718074109 712741387 /nfs/dbraw/zinc/74/13/87/712741387.db2.gz VCBQAGUKGWEEKU-INIZCTEOSA-N 0 1 241.334 3.755 20 0 BHADMN Cc1coc(CN[C@@H]2CCCc3ccccc32)c1 ZINC000718074112 712741554 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CCCN(C/C=C\Cl)Cc1ccc(F)cc1 ZINC000746654342 585171668 /nfs/dbraw/zinc/17/16/68/585171668.db2.gz ZXHRYQCEDPSLPC-BAQGIRSFSA-N 0 1 241.737 3.790 20 0 BHADMN CCCN(C/C=C/Cl)Cc1ccc(F)cc1 ZINC000746654343 585171626 /nfs/dbraw/zinc/17/16/26/585171626.db2.gz ZXHRYQCEDPSLPC-FPYGCLRLSA-N 0 1 241.737 3.790 20 0 BHADMN CC[C@@H](C)CN(CC)Cc1ncc(C(C)C)o1 ZINC000748828177 585196859 /nfs/dbraw/zinc/19/68/59/585196859.db2.gz DKDSQIMUBVFOGR-GFCCVEGCSA-N 0 1 238.375 3.666 20 0 BHADMN CC[C@H](C)CN(CC)Cc1ncc(C(C)C)o1 ZINC000748828179 585197049 /nfs/dbraw/zinc/19/70/49/585197049.db2.gz DKDSQIMUBVFOGR-LBPRGKRZSA-N 0 1 238.375 3.666 20 0 BHADMN Cc1cc([C@@H](C)NCc2ccoc2)ccc1F ZINC000751510878 585231522 /nfs/dbraw/zinc/23/15/22/585231522.db2.gz XCYTVJSVXBIBQH-LLVKDONJSA-N 0 1 233.286 3.578 20 0 BHADMN Cc1cc([C@H](C)NCc2ccoc2)ccc1F ZINC000751510879 585231272 /nfs/dbraw/zinc/23/12/72/585231272.db2.gz XCYTVJSVXBIBQH-NSHDSACASA-N 0 1 233.286 3.578 20 0 BHADMN CC(C)[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000752313037 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CCC[C@@H]1CCCCN1Cc1coc(C2CC2)n1 ZINC000757996017 585348092 /nfs/dbraw/zinc/34/80/92/585348092.db2.gz QXELGEQGCNITIL-CQSZACIVSA-N 0 1 248.370 3.707 20 0 BHADMN CC1(C)CN(C/C=C/Cl)Cc2ccccc21 ZINC000759307373 585366853 /nfs/dbraw/zinc/36/68/53/585366853.db2.gz BGXSTFWLELBDJA-VMPITWQZSA-N 0 1 235.758 3.532 20 0 BHADMN CC1(C)CN(C/C=C\Cl)Cc2ccccc21 ZINC000759307377 585366803 /nfs/dbraw/zinc/36/68/03/585366803.db2.gz BGXSTFWLELBDJA-YVMONPNESA-N 0 1 235.758 3.532 20 0 BHADMN CCCCCN(CCF)Cc1ccc(F)cc1 ZINC000759326814 585367571 /nfs/dbraw/zinc/36/75/71/585367571.db2.gz HNFTWWQEOKJACG-UHFFFAOYSA-N 0 1 241.325 3.787 20 0 BHADMN C[C@@H](c1ccc(Cl)cc1)N(CCF)C1CC1 ZINC000759328332 585367649 /nfs/dbraw/zinc/36/76/49/585367649.db2.gz QCFISHDGCNLQAY-JTQLQIEISA-N 0 1 241.737 3.835 20 0 BHADMN C[C@H](c1ccc(Cl)cc1)N(CCF)C1CC1 ZINC000759328338 585367393 /nfs/dbraw/zinc/36/73/93/585367393.db2.gz QCFISHDGCNLQAY-SNVBAGLBSA-N 0 1 241.737 3.835 20 0 BHADMN CC(C)N(CCF)Cc1cccc(Cl)c1 ZINC000759329308 585367523 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BHADMN C[C@H]1CCC[C@H](N(C)Cc2coc(C3CC3)n2)C1 ZINC000768263815 585534731 /nfs/dbraw/zinc/53/47/31/585534731.db2.gz WHSLVWJJJGQHRJ-FZMZJTMJSA-N 0 1 248.370 3.563 20 0 BHADMN C[C@@H]1CCC[C@H](N(C)Cc2coc(C3CC3)n2)C1 ZINC000768263816 585534862 /nfs/dbraw/zinc/53/48/62/585534862.db2.gz WHSLVWJJJGQHRJ-RISCZKNCSA-N 0 1 248.370 3.563 20 0 BHADMN C[C@H]1CCC[C@@H](N(C)Cc2coc(C3CC3)n2)C1 ZINC000768263817 585534778 /nfs/dbraw/zinc/53/47/78/585534778.db2.gz WHSLVWJJJGQHRJ-SMDDNHRTSA-N 0 1 248.370 3.563 20 0 BHADMN c1coc(CN(Cc2ccoc2)C2CCCC2)c1 ZINC000768270759 585535151 /nfs/dbraw/zinc/53/51/51/585535151.db2.gz YAFBPXLRISNQFQ-UHFFFAOYSA-N 0 1 245.322 3.817 20 0 BHADMN CC(C)N(Cc1ccoc1)Cc1cccc(F)c1 ZINC000768329465 585535892 /nfs/dbraw/zinc/53/58/92/585535892.db2.gz FQFNJHLCATZWKD-UHFFFAOYSA-N 0 1 247.313 3.829 20 0 BHADMN c1cc(CN2CCC[C@@H]2c2ccsc2)co1 ZINC000768329472 585535756 /nfs/dbraw/zinc/53/57/56/585535756.db2.gz FSZMFOHHKFPTBR-CYBMUJFWSA-N 0 1 233.336 3.678 20 0 BHADMN c1cc(CN2CCC[C@H]2c2ccsc2)co1 ZINC000768329474 585535937 /nfs/dbraw/zinc/53/59/37/585535937.db2.gz FSZMFOHHKFPTBR-ZDUSSCGKSA-N 0 1 233.336 3.678 20 0 BHADMN CC(C)N(Cc1ccoc1)Cc1ccc(F)cc1 ZINC000768329899 585535769 /nfs/dbraw/zinc/53/57/69/585535769.db2.gz KDYRSSWIUFQMAH-UHFFFAOYSA-N 0 1 247.313 3.829 20 0 BHADMN Fc1cccc([C@@H]2CCCN2Cc2ccoc2)c1 ZINC000768330531 585535615 /nfs/dbraw/zinc/53/56/15/585535615.db2.gz VBNLQNHNSFCDIU-HNNXBMFYSA-N 0 1 245.297 3.756 20 0 BHADMN Fc1cccc([C@H]2CCCN2Cc2ccoc2)c1 ZINC000768330533 585535677 /nfs/dbraw/zinc/53/56/77/585535677.db2.gz VBNLQNHNSFCDIU-OAHLLOKOSA-N 0 1 245.297 3.756 20 0 BHADMN CC(C)N(Cc1ccoc1)Cc1cccs1 ZINC000768335785 585535751 /nfs/dbraw/zinc/53/57/51/585535751.db2.gz XWRYDXJCALMUHO-UHFFFAOYSA-N 0 1 235.352 3.752 20 0 BHADMN CC(C)[N@H+](Cc1ccoc1)Cc1cccs1 ZINC000768335785 585535750 /nfs/dbraw/zinc/53/57/50/585535750.db2.gz XWRYDXJCALMUHO-UHFFFAOYSA-N 0 1 235.352 3.752 20 0 BHADMN CCC[C@@H](C)[N@@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000768339962 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248.370 3.563 20 0 BHADMN C[C@H]1CCC[C@H](C)N(Cc2coc(C3CC3)n2)C1 ZINC000769452549 585557387 /nfs/dbraw/zinc/55/73/87/585557387.db2.gz XOYDTVYELNRXOJ-RYUDHWBXSA-N 0 1 248.370 3.563 20 0 BHADMN C[C@@H]1CCC[C@@H](C)N(Cc2coc(C3CC3)n2)C1 ZINC000769452550 585557229 /nfs/dbraw/zinc/55/72/29/585557229.db2.gz XOYDTVYELNRXOJ-VXGBXAGGSA-N 0 1 248.370 3.563 20 0 BHADMN CC[C@H]1CCCCCN1Cc1coc(C2CC2)n1 ZINC000769457897 585557561 /nfs/dbraw/zinc/55/75/61/585557561.db2.gz RASIARBDQHDGJP-AWEZNQCLSA-N 0 1 248.370 3.707 20 0 BHADMN CC[C@@H]1CCCCCN1Cc1coc(C2CC2)n1 ZINC000769457899 585557701 /nfs/dbraw/zinc/55/77/01/585557701.db2.gz RASIARBDQHDGJP-CQSZACIVSA-N 0 1 248.370 3.707 20 0 BHADMN CC[C@@H]1CCCN(Cc2coc(C3CC3)n2)CC1 ZINC000769463940 585557639 /nfs/dbraw/zinc/55/76/39/585557639.db2.gz UQSMBTYOTGGJSC-GFCCVEGCSA-N 0 1 248.370 3.564 20 0 BHADMN CC[C@H]1CCCN(Cc2coc(C3CC3)n2)CC1 ZINC000769463941 585557668 /nfs/dbraw/zinc/55/76/68/585557668.db2.gz UQSMBTYOTGGJSC-LBPRGKRZSA-N 0 1 248.370 3.564 20 0 BHADMN 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/nfs/dbraw/zinc/68/16/08/585681608.db2.gz OBIKJLFSIYJUEI-NSHDSACASA-N 0 1 240.306 3.612 20 0 BHADMN Cc1ccc(CN(C)Cc2ccc(CF)cc2)o1 ZINC000777545222 585714831 /nfs/dbraw/zinc/71/48/31/585714831.db2.gz WUEUWCLCWNITLV-UHFFFAOYSA-N 0 1 247.313 3.690 20 0 BHADMN CN(Cc1ccsc1)Cc1ccc(CF)cc1 ZINC000777551579 585714774 /nfs/dbraw/zinc/71/47/74/585714774.db2.gz REUMJUIILWTQOW-UHFFFAOYSA-N 0 1 249.354 3.850 20 0 BHADMN Cc1occc1CN(C)Cc1ccc(CF)cc1 ZINC000777559652 585715264 /nfs/dbraw/zinc/71/52/64/585715264.db2.gz IGZGUQHHQURADA-UHFFFAOYSA-N 0 1 247.313 3.690 20 0 BHADMN C[C@H](c1ccco1)N(C)Cc1ccc(CF)cc1 ZINC000777563575 585715066 /nfs/dbraw/zinc/71/50/66/585715066.db2.gz LTJGPXNDRSXZPH-GFCCVEGCSA-N 0 1 247.313 3.942 20 0 BHADMN C[C@@H](c1ccco1)N(C)Cc1ccc(CF)cc1 ZINC000777563576 585715093 /nfs/dbraw/zinc/71/50/93/585715093.db2.gz LTJGPXNDRSXZPH-LBPRGKRZSA-N 0 1 247.313 3.942 20 0 BHADMN CCN(Cc1ccoc1)Cc1ccc(CF)cc1 ZINC000777569896 585715759 /nfs/dbraw/zinc/71/57/59/585715759.db2.gz GLDKNCUOEJYRNE-UHFFFAOYSA-N 0 1 247.313 3.771 20 0 BHADMN FCc1ccc(CN2Cc3ccccc3C2)cc1 ZINC000777579603 585715512 /nfs/dbraw/zinc/71/55/12/585715512.db2.gz BECRPGQASDTELE-UHFFFAOYSA-N 0 1 241.309 3.672 20 0 BHADMN Clc1ccc(CN2CCCCCCC2)nc1 ZINC000778210176 585727489 /nfs/dbraw/zinc/72/74/89/585727489.db2.gz JPVPFTFQXLBIHO-UHFFFAOYSA-N 0 1 238.762 3.501 20 0 BHADMN CC[C@@H](N[C@H](C)c1ccc[nH]1)c1ccccc1F ZINC000779145712 585745932 /nfs/dbraw/zinc/74/59/32/585745932.db2.gz FBVWBPXKOFGMIC-BXUZGUMPSA-N 0 1 246.329 3.956 20 0 BHADMN CC[C@H](N[C@@H](C)c1ccc[nH]1)c1ccccc1F ZINC000779145713 585745666 /nfs/dbraw/zinc/74/56/66/585745666.db2.gz FBVWBPXKOFGMIC-FZMZJTMJSA-N 0 1 246.329 3.956 20 0 BHADMN CC[C@H](N[C@H](C)c1ccc[nH]1)c1ccccc1F ZINC000779145714 585745651 /nfs/dbraw/zinc/74/56/51/585745651.db2.gz FBVWBPXKOFGMIC-RISCZKNCSA-N 0 1 246.329 3.956 20 0 BHADMN CC[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccccc1F ZINC000779145715 585745945 /nfs/dbraw/zinc/74/59/45/585745945.db2.gz FBVWBPXKOFGMIC-SMDDNHRTSA-N 0 1 246.329 3.956 20 0 BHADMN CCCCN[C@H](CCc1ccccc1)C(F)F ZINC000779338211 585751480 /nfs/dbraw/zinc/75/14/80/585751480.db2.gz PGSZDQXCAVQKMR-CYBMUJFWSA-N 0 1 241.325 3.643 20 0 BHADMN CCCCN[C@@H](CCc1ccccc1)C(F)F ZINC000779338212 585751612 /nfs/dbraw/zinc/75/16/12/585751612.db2.gz PGSZDQXCAVQKMR-ZDUSSCGKSA-N 0 1 241.325 3.643 20 0 BHADMN C[C@H]1CN(CCC(F)(F)F)Cc2ccccc21 ZINC000779459968 585755250 /nfs/dbraw/zinc/75/52/50/585755250.db2.gz JBHHMPVTSBSSMI-JTQLQIEISA-N 0 1 243.272 3.558 20 0 BHADMN C[C@@H]1CN(CCC(F)(F)F)Cc2ccccc21 ZINC000779459972 585755384 /nfs/dbraw/zinc/75/53/84/585755384.db2.gz JBHHMPVTSBSSMI-SNVBAGLBSA-N 0 1 243.272 3.558 20 0 BHADMN Cl/C=C/CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000780391968 585778701 /nfs/dbraw/zinc/77/87/01/585778701.db2.gz HJCLZOHMTSLYDX-KTKHRGRVSA-N 0 1 247.769 3.917 20 0 BHADMN Cl/C=C\CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000780391980 585778752 /nfs/dbraw/zinc/77/87/52/585778752.db2.gz HJCLZOHMTSLYDX-SKOLJOEYSA-N 0 1 247.769 3.917 20 0 BHADMN Cl/C=C\CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000780391982 585778714 /nfs/dbraw/zinc/77/87/14/585778714.db2.gz HJCLZOHMTSLYDX-XSHWTXFYSA-N 0 1 247.769 3.917 20 0 BHADMN Cl/C=C/CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000780391985 585778684 /nfs/dbraw/zinc/77/86/84/585778684.db2.gz HJCLZOHMTSLYDX-YGANFRDJSA-N 0 1 247.769 3.917 20 0 BHADMN CC(C)[C@@H]1CCCN(C/C(Cl)=C/Cl)C1 ZINC000781985804 644737211 /nfs/dbraw/zinc/73/72/11/644737211.db2.gz PEZCCYLYABRXII-CHPNCVJKSA-N 0 1 236.186 3.673 20 0 BHADMN CC(C)[C@H]1CCCN(C/C(Cl)=C\Cl)C1 ZINC000781985817 644737058 /nfs/dbraw/zinc/73/70/58/644737058.db2.gz PEZCCYLYABRXII-OTXQMUPVSA-N 0 1 236.186 3.673 20 0 BHADMN CC(C)[C@H]1CCCN(C/C(Cl)=C/Cl)C1 ZINC000781985818 644737941 /nfs/dbraw/zinc/73/79/41/644737941.db2.gz PEZCCYLYABRXII-OYUORYAFSA-N 0 1 236.186 3.673 20 0 BHADMN CC(C)[C@@H]1CCCN(C/C(Cl)=C\Cl)C1 ZINC000781985819 644737283 /nfs/dbraw/zinc/73/72/83/644737283.db2.gz PEZCCYLYABRXII-VUUNSECVSA-N 0 1 236.186 3.673 20 0 BHADMN C[C@@H]1CC[C@@]2(CCN(C/C(Cl)=C\Cl)C2)C1 ZINC000782108993 644740564 /nfs/dbraw/zinc/74/05/64/644740564.db2.gz YCLUBNPPZALONK-CKRBCLJCSA-N 0 1 248.197 3.818 20 0 BHADMN C[C@@H]1CC[C@]2(CCN(C/C(Cl)=C/Cl)C2)C1 ZINC000782108994 644740549 /nfs/dbraw/zinc/74/05/49/644740549.db2.gz YCLUBNPPZALONK-GZXATSTBSA-N 0 1 248.197 3.818 20 0 BHADMN C[C@@H]1CC[C@@]2(CCN(C/C(Cl)=C/Cl)C2)C1 ZINC000782108995 644740759 /nfs/dbraw/zinc/74/07/59/644740759.db2.gz YCLUBNPPZALONK-QESQTXLRSA-N 0 1 248.197 3.818 20 0 BHADMN C[C@@H]1CC[C@]2(CCN(C/C(Cl)=C\Cl)C2)C1 ZINC000782108996 644740653 /nfs/dbraw/zinc/74/06/53/644740653.db2.gz YCLUBNPPZALONK-TXCQAMFQSA-N 0 1 248.197 3.818 20 0 BHADMN Clc1ccc2c(c1)CC[C@@H]2N1CC=CCC1 ZINC000782190802 585811837 /nfs/dbraw/zinc/81/18/37/585811837.db2.gz NHWWLBQVXBNRJB-AWEZNQCLSA-N 0 1 233.742 3.589 20 0 BHADMN Clc1ccc2c(c1)CC[C@H]2N1CC=CCC1 ZINC000782190803 585811478 /nfs/dbraw/zinc/81/14/78/585811478.db2.gz NHWWLBQVXBNRJB-CQSZACIVSA-N 0 1 233.742 3.589 20 0 BHADMN CC(C)c1ccccc1CNCc1ccco1 ZINC000782539052 585819955 /nfs/dbraw/zinc/81/99/55/585819955.db2.gz FAZJVWJBXRLXTN-UHFFFAOYSA-N 0 1 229.323 3.693 20 0 BHADMN CC(C)c1ccccc1CNCc1ccoc1 ZINC000782539496 585820004 /nfs/dbraw/zinc/82/00/04/585820004.db2.gz KHQMJYVIIHCJSQ-UHFFFAOYSA-N 0 1 229.323 3.693 20 0 BHADMN CN(C/C(Cl)=C/Cl)C[C@@H]1CC=CCC1 ZINC000784385390 585857935 /nfs/dbraw/zinc/85/79/35/585857935.db2.gz LWJYAVSVKIWECS-PAKSIRSJSA-N 0 1 234.170 3.594 20 0 BHADMN CN(C/C(Cl)=C/Cl)C[C@H]1CC=CCC1 ZINC000784385391 585857938 /nfs/dbraw/zinc/85/79/38/585857938.db2.gz LWJYAVSVKIWECS-QBQSQJOESA-N 0 1 234.170 3.594 20 0 BHADMN CN(C/C(Cl)=C\Cl)C[C@@H]1CC=CCC1 ZINC000784385392 585857897 /nfs/dbraw/zinc/85/78/97/585857897.db2.gz LWJYAVSVKIWECS-UEUZTHOGSA-N 0 1 234.170 3.594 20 0 BHADMN CN(C/C(Cl)=C\Cl)C[C@H]1CC=CCC1 ZINC000784385393 585857981 /nfs/dbraw/zinc/85/79/81/585857981.db2.gz LWJYAVSVKIWECS-VUBLIPMDSA-N 0 1 234.170 3.594 20 0 BHADMN CC(C)c1cnc(CN(C)C[C@@H]2CC=CCC2)o1 ZINC000784385701 585857747 /nfs/dbraw/zinc/85/77/47/585857747.db2.gz OPWKLHOEIZPRMB-CYBMUJFWSA-N 0 1 248.370 3.586 20 0 BHADMN CC(C)c1cnc(CN(C)C[C@H]2CC=CCC2)o1 ZINC000784385702 585857941 /nfs/dbraw/zinc/85/79/41/585857941.db2.gz OPWKLHOEIZPRMB-ZDUSSCGKSA-N 0 1 248.370 3.586 20 0 BHADMN Cc1cc(C)cc([C@H]2CC[N@@H+](C/C=C/Cl)C2)c1 ZINC000784502652 585861447 /nfs/dbraw/zinc/86/14/47/585861447.db2.gz YVNFAHZKPKFVNT-KQIUPUNMSA-N 0 1 249.785 3.845 20 0 BHADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](C/C=C/Cl)C2)c1 ZINC000784502654 585861538 /nfs/dbraw/zinc/86/15/38/585861538.db2.gz YVNFAHZKPKFVNT-LYKUJDHUSA-N 0 1 249.785 3.845 20 0 BHADMN Cc1cc(C)cc([C@H]2CC[N@@H+](C/C=C\Cl)C2)c1 ZINC000784502656 585861595 /nfs/dbraw/zinc/86/15/95/585861595.db2.gz YVNFAHZKPKFVNT-MFBWXBCUSA-N 0 1 249.785 3.845 20 0 BHADMN Cc1cc(C)cc([C@@H]2CC[N@@H+](C/C=C\Cl)C2)c1 ZINC000784502658 585861562 /nfs/dbraw/zinc/86/15/62/585861562.db2.gz YVNFAHZKPKFVNT-PKXJPQMGSA-N 0 1 249.785 3.845 20 0 BHADMN CC(C)(C)[C@H]1CCN(C/C(Cl)=C\Cl)C1 ZINC000784509195 585861839 /nfs/dbraw/zinc/86/18/39/585861839.db2.gz GDWVCMQRSBBNMB-CMWXKVOJSA-N 0 1 236.186 3.673 20 0 BHADMN CC(C)(C)[C@H]1CCN(C/C(Cl)=C/Cl)C1 ZINC000784509333 585861883 /nfs/dbraw/zinc/86/18/83/585861883.db2.gz GDWVCMQRSBBNMB-LKJZUNMESA-N 0 1 236.186 3.673 20 0 BHADMN CC(C)(C)[C@@H]1CCN(C/C(Cl)=C/Cl)C1 ZINC000784509335 585861764 /nfs/dbraw/zinc/86/17/64/585861764.db2.gz GDWVCMQRSBBNMB-WPVMNKCKSA-N 0 1 236.186 3.673 20 0 BHADMN CC(C)(C)[C@@H]1CCN(C/C(Cl)=C\Cl)C1 ZINC000784509339 585861752 /nfs/dbraw/zinc/86/17/52/585861752.db2.gz GDWVCMQRSBBNMB-ZFZMKPAXSA-N 0 1 236.186 3.673 20 0 BHADMN CC(C)c1cnc(CN(C)C2(C)CCCC2)o1 ZINC000786214540 585888721 /nfs/dbraw/zinc/88/87/21/585888721.db2.gz OFFSYWIOUQNEOS-UHFFFAOYSA-N 0 1 236.359 3.563 20 0 BHADMN CCCCCN1CCn2c(Cl)ccc2[C@H]1C ZINC000787648801 585913536 /nfs/dbraw/zinc/91/35/36/585913536.db2.gz DHFJKOWBELRYMW-LLVKDONJSA-N 0 1 240.778 3.708 20 0 BHADMN CCCCCN1CCn2c(Cl)ccc2[C@@H]1C ZINC000787648819 585913639 /nfs/dbraw/zinc/91/36/39/585913639.db2.gz DHFJKOWBELRYMW-NSHDSACASA-N 0 1 240.778 3.708 20 0 BHADMN CC(C)CCN1CCn2c(Cl)ccc2[C@H]1C ZINC000787650287 585913667 /nfs/dbraw/zinc/91/36/67/585913667.db2.gz IUEUHCDLSFVDAD-LLVKDONJSA-N 0 1 240.778 3.564 20 0 BHADMN CC(C)CCN1CCn2c(Cl)ccc2[C@@H]1C ZINC000787650292 585913614 /nfs/dbraw/zinc/91/36/14/585913614.db2.gz IUEUHCDLSFVDAD-NSHDSACASA-N 0 1 240.778 3.564 20 0 BHADMN CC[C@@H](C)CN1CCn2c(Cl)ccc2[C@H]1C ZINC000787651327 585913455 /nfs/dbraw/zinc/91/34/55/585913455.db2.gz KLCWPZWNSPTEGX-GHMZBOCLSA-N 0 1 240.778 3.564 20 0 BHADMN CC[C@@H](C)CN1CCn2c(Cl)ccc2[C@@H]1C ZINC000787651330 585913585 /nfs/dbraw/zinc/91/35/85/585913585.db2.gz KLCWPZWNSPTEGX-MNOVXSKESA-N 0 1 240.778 3.564 20 0 BHADMN CC[C@H](C)CN1CCn2c(Cl)ccc2[C@@H]1C ZINC000787651332 585913652 /nfs/dbraw/zinc/91/36/52/585913652.db2.gz KLCWPZWNSPTEGX-QWRGUYRKSA-N 0 1 240.778 3.564 20 0 BHADMN CC[C@H](C)CN1CCn2c(Cl)ccc2[C@H]1C ZINC000787651334 585913489 /nfs/dbraw/zinc/91/34/89/585913489.db2.gz KLCWPZWNSPTEGX-WDEREUQCSA-N 0 1 240.778 3.564 20 0 BHADMN C[C@@H]1C[C@H](C)[C@H](C)N(C/C(Cl)=C/Cl)C1 ZINC000789452113 644788535 /nfs/dbraw/zinc/78/85/35/644788535.db2.gz QBBTWXWXQVSCTL-JYILAWLKSA-N 0 1 236.186 3.672 20 0 BHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(C/C(Cl)=C\Cl)C1 ZINC000789452114 644788580 /nfs/dbraw/zinc/78/85/80/644788580.db2.gz QBBTWXWXQVSCTL-TXXFAWKFSA-N 0 1 236.186 3.672 20 0 BHADMN C[C@@H]1C[C@H](C)[C@H](C)N(C/C(Cl)=C\Cl)C1 ZINC000789452115 644788238 /nfs/dbraw/zinc/78/82/38/644788238.db2.gz QBBTWXWXQVSCTL-ULQZIGKOSA-N 0 1 236.186 3.672 20 0 BHADMN C[C@@H]1C[C@H](C)[C@@H](C)N(C/C(Cl)=C/Cl)C1 ZINC000789452116 644788048 /nfs/dbraw/zinc/78/80/48/644788048.db2.gz QBBTWXWXQVSCTL-VTRZNIIMSA-N 0 1 236.186 3.672 20 0 BHADMN CCSCSc1nc2ccc(C)cc2[nH]1 ZINC000791427249 585981108 /nfs/dbraw/zinc/98/11/08/585981108.db2.gz KSGBGFOUIBQCGW-UHFFFAOYSA-N 0 1 238.381 3.674 20 0 BHADMN Cc1ccc(C2=CCN(CC3(F)CC3)CC2)cc1 ZINC000792778376 586005116 /nfs/dbraw/zinc/00/51/16/586005116.db2.gz OYUWBLVOMQKSGS-UHFFFAOYSA-N 0 1 245.341 3.586 20 0 BHADMN Cl/C=C\CN1CCC=C(c2ccccc2)C1 ZINC000792934209 586007497 /nfs/dbraw/zinc/00/74/97/586007497.db2.gz VAJDNJUGUVWUMI-UITAMQMPSA-N 0 1 233.742 3.528 20 0 BHADMN Cl/C=C/CN1CCC=C(c2ccccc2)C1 ZINC000792934210 586007427 /nfs/dbraw/zinc/00/74/27/586007427.db2.gz VAJDNJUGUVWUMI-WEVVVXLNSA-N 0 1 233.742 3.528 20 0 BHADMN CC(C)(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(F)F ZINC000793256720 586015360 /nfs/dbraw/zinc/01/53/60/586015360.db2.gz ZQWWDHVREQJDQO-GRYCIOLGSA-N 0 1 245.357 3.979 20 0 BHADMN CC(C)(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(F)F ZINC000793256729 586015292 /nfs/dbraw/zinc/01/52/92/586015292.db2.gz ZQWWDHVREQJDQO-IJLUTSLNSA-N 0 1 245.357 3.979 20 0 BHADMN CC(C)(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(F)F ZINC000793256733 583579325 /nfs/dbraw/zinc/57/93/25/583579325.db2.gz ZQWWDHVREQJDQO-QJPTWQEYSA-N 0 1 245.357 3.979 20 0 BHADMN CC(C)(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(F)F ZINC000793256737 583579438 /nfs/dbraw/zinc/57/94/38/583579438.db2.gz ZQWWDHVREQJDQO-SDDRHHMPSA-N 0 1 245.357 3.979 20 0 BHADMN 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586094853 /nfs/dbraw/zinc/09/48/53/586094853.db2.gz LTKYXXFTDCJQBW-CYBMUJFWSA-N 0 1 236.359 3.537 20 0 BHADMN CC(C)=CCC[C@H](C)CCNCc1ccon1 ZINC000795935247 586094812 /nfs/dbraw/zinc/09/48/12/586094812.db2.gz LTKYXXFTDCJQBW-ZDUSSCGKSA-N 0 1 236.359 3.537 20 0 BHADMN CN(C/C(Cl)=C\Cl)[C@H]1CCC(C)(C)C1 ZINC000796530056 586106040 /nfs/dbraw/zinc/10/60/40/586106040.db2.gz FHVJPJCLDRJGTJ-PCYYEKQGSA-N 0 1 236.186 3.816 20 0 BHADMN CN(C/C(Cl)=C/Cl)[C@H]1CCC(C)(C)C1 ZINC000796530068 586106056 /nfs/dbraw/zinc/10/60/56/586106056.db2.gz FHVJPJCLDRJGTJ-RNKPRXRFSA-N 0 1 236.186 3.816 20 0 BHADMN CN(C/C(Cl)=C\Cl)[C@@H]1CCC(C)(C)C1 ZINC000796530070 586106068 /nfs/dbraw/zinc/10/60/68/586106068.db2.gz FHVJPJCLDRJGTJ-TTZKWOQHSA-N 0 1 236.186 3.816 20 0 BHADMN CN(C/C(Cl)=C/Cl)[C@@H]1CCC(C)(C)C1 ZINC000796530072 586106102 /nfs/dbraw/zinc/10/61/02/586106102.db2.gz FHVJPJCLDRJGTJ-UJICNMFASA-N 0 1 236.186 3.816 20 0 BHADMN C[C@@H](c1ccccc1F)N1CCC(F)(F)CC1 ZINC000796541360 586106286 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/nfs/dbraw/zinc/94/93/98/588949398.db2.gz HODQVDBGJXBBBC-STQMWFEESA-N 0 1 238.375 3.759 20 0 BHADMN CCC[C@@H](C)CCC[C@@H](C)NCc1cocn1 ZINC000858390847 588950968 /nfs/dbraw/zinc/95/09/68/588950968.db2.gz PSPYNPIORYMESJ-CHWSQXEVSA-N 0 1 238.375 3.759 20 0 BHADMN CCC[C@@H](C)CCC[C@H](C)NCc1cocn1 ZINC000858390848 588950888 /nfs/dbraw/zinc/95/08/88/588950888.db2.gz PSPYNPIORYMESJ-OLZOCXBDSA-N 0 1 238.375 3.759 20 0 BHADMN CCC[C@H](C)CCC[C@@H](C)NCc1cocn1 ZINC000858390849 588951034 /nfs/dbraw/zinc/95/10/34/588951034.db2.gz PSPYNPIORYMESJ-QWHCGFSZSA-N 0 1 238.375 3.759 20 0 BHADMN CCC[C@H](C)CCC[C@H](C)NCc1cocn1 ZINC000858390850 588951103 /nfs/dbraw/zinc/95/11/03/588951103.db2.gz PSPYNPIORYMESJ-STQMWFEESA-N 0 1 238.375 3.759 20 0 BHADMN CCC[C@H](C)CCC[C@H](C)NCc1ncccn1 ZINC000858432964 588954588 /nfs/dbraw/zinc/95/45/88/588954588.db2.gz YMJNCBMBHBYAMG-KBPBESRZSA-N 0 1 249.402 3.561 20 0 BHADMN CCC[C@@H](C)CCC[C@H](C)NCc1ncccn1 ZINC000858432965 588954188 /nfs/dbraw/zinc/95/41/88/588954188.db2.gz YMJNCBMBHBYAMG-KGLIPLIRSA-N 0 1 249.402 3.561 20 0 BHADMN CCC[C@H](C)CCC[C@@H](C)NCc1ncccn1 ZINC000858432966 588954592 /nfs/dbraw/zinc/95/45/92/588954592.db2.gz YMJNCBMBHBYAMG-UONOGXRCSA-N 0 1 249.402 3.561 20 0 BHADMN CCC[C@@H](C)CCC[C@@H](C)NCc1ncccn1 ZINC000858432967 588954176 /nfs/dbraw/zinc/95/41/76/588954176.db2.gz YMJNCBMBHBYAMG-ZIAGYGMSSA-N 0 1 249.402 3.561 20 0 BHADMN C/C=C\CN[C@@H](C)c1ccc(OC)cc1Cl ZINC000858537496 588963874 /nfs/dbraw/zinc/96/38/74/588963874.db2.gz NVPKEILPABFCCC-LWTINBJPSA-N 0 1 239.746 3.575 20 0 BHADMN C/C=C/CN[C@H](C)c1ccc(OC)cc1Cl ZINC000858537499 588963496 /nfs/dbraw/zinc/96/34/96/588963496.db2.gz NVPKEILPABFCCC-ORAHPGNNSA-N 0 1 239.746 3.575 20 0 BHADMN C/C=C\CN[C@H](C)c1ccc(OC)cc1Cl ZINC000858537501 588963888 /nfs/dbraw/zinc/96/38/88/588963888.db2.gz NVPKEILPABFCCC-UMCURTJPSA-N 0 1 239.746 3.575 20 0 BHADMN C/C=C/CN[C@@H](C)c1ccc(OC)cc1Cl ZINC000858537503 588963908 /nfs/dbraw/zinc/96/39/08/588963908.db2.gz NVPKEILPABFCCC-YEZKRMTDSA-N 0 1 239.746 3.575 20 0 BHADMN Fc1cc(C[N@@H+](C2CC2)C2CCCCC2)ccn1 ZINC000859076509 588997542 /nfs/dbraw/zinc/99/75/42/588997542.db2.gz IAAFYELCWNZSGK-UHFFFAOYSA-N 0 1 248.345 3.518 20 0 BHADMN CCC[C@H](C)CCCN1CCC[C@H]1c1ncc[nH]1 ZINC000859222918 589021916 /nfs/dbraw/zinc/02/19/16/589021916.db2.gz OYOGBQDUPBNLDM-KBPBESRZSA-N 0 1 249.402 3.763 20 0 BHADMN CCC[C@@H](C)CCCN1CCC[C@H]1c1ncc[nH]1 ZINC000859222919 589021650 /nfs/dbraw/zinc/02/16/50/589021650.db2.gz OYOGBQDUPBNLDM-KGLIPLIRSA-N 0 1 249.402 3.763 20 0 BHADMN CCC[C@H](C)CCCN1CCC[C@@H]1c1ncc[nH]1 ZINC000859222920 589021928 /nfs/dbraw/zinc/02/19/28/589021928.db2.gz OYOGBQDUPBNLDM-UONOGXRCSA-N 0 1 249.402 3.763 20 0 BHADMN CCC[C@@H](C)CCCN1CCC[C@@H]1c1ncc[nH]1 ZINC000859222921 589021760 /nfs/dbraw/zinc/02/17/60/589021760.db2.gz OYOGBQDUPBNLDM-ZIAGYGMSSA-N 0 1 249.402 3.763 20 0 BHADMN CC1(C)CCC(C)(C)N(Cc2cscn2)C1 ZINC000859471921 589039532 /nfs/dbraw/zinc/03/95/32/589039532.db2.gz HXRVMPNIZLBIDW-UHFFFAOYSA-N 0 1 238.400 3.544 20 0 BHADMN C[C@]12CCCC[C@H]1CN2CC=C(Cl)Cl ZINC000860047679 589077021 /nfs/dbraw/zinc/07/70/21/589077021.db2.gz GWTDLLKRJVTBIF-ONGXEEELSA-N 0 1 234.170 3.570 20 0 BHADMN CC(C)c1cnc(CN2CCCC3(CC3)CC2)o1 ZINC000860069937 589078946 /nfs/dbraw/zinc/07/89/46/589078946.db2.gz PQHKIVTVNPBAGQ-UHFFFAOYSA-N 0 1 248.370 3.564 20 0 BHADMN CC(C)[N@@H+](Cc1cnc(C2CC2)o1)C1CCCC1 ZINC000862225288 589195558 /nfs/dbraw/zinc/19/55/58/589195558.db2.gz QKPJDTDMCLMOEL-UHFFFAOYSA-N 0 1 248.370 3.705 20 0 BHADMN Cc1nc(CN(C)C2CCCCCCC2)[nH]c1C ZINC000862237169 589196418 /nfs/dbraw/zinc/19/64/18/589196418.db2.gz JDHOSVMTVFMNOT-UHFFFAOYSA-N 0 1 249.402 3.571 20 0 BHADMN Cc1nc2c(n1CCC(F)=C(F)F)CCCC2 ZINC000863341552 589280615 /nfs/dbraw/zinc/28/06/15/589280615.db2.gz SKBUMRAGTVDNMX-UHFFFAOYSA-N 0 1 244.260 3.538 20 0 BHADMN Cc1scc(CNc2nccn2C2CC2)c1C ZINC000865293747 589420160 /nfs/dbraw/zinc/42/01/60/589420160.db2.gz UYTVHTFSBCOESO-UHFFFAOYSA-N 0 1 247.367 3.508 20 0 BHADMN Cc1occc1CNCc1cccc(Cl)c1C ZINC000865426491 589435155 /nfs/dbraw/zinc/43/51/55/589435155.db2.gz RBVBEHUQMIUXBM-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN Cc1cc(CNCc2csc(C)c2C)c(C)o1 ZINC000865464045 589438083 /nfs/dbraw/zinc/43/80/83/589438083.db2.gz QWLLZNCMKGRWEQ-UHFFFAOYSA-N 0 1 249.379 3.865 20 0 BHADMN Cc1ccoc1CNCc1cccc(Cl)c1C ZINC000865578172 589448379 /nfs/dbraw/zinc/44/83/79/589448379.db2.gz VDQQBVIWWOEUQA-UHFFFAOYSA-N 0 1 249.741 3.840 20 0 BHADMN CC[C@](C)(NCc1ccoc1)c1ccc(F)cc1 ZINC000865661120 589454981 /nfs/dbraw/zinc/45/49/81/589454981.db2.gz WQXOEEUNOBJVOR-HNNXBMFYSA-N 0 1 247.313 3.834 20 0 BHADMN CC[C@@](C)(NCc1ccoc1)c1ccc(F)cc1 ZINC000865661121 589454990 /nfs/dbraw/zinc/45/49/90/589454990.db2.gz WQXOEEUNOBJVOR-OAHLLOKOSA-N 0 1 247.313 3.834 20 0 BHADMN CC(C)(C)c1ccc(CNCc2cccs2)o1 ZINC000865814533 589462978 /nfs/dbraw/zinc/46/29/78/589462978.db2.gz JSHNWPBNFIQHCI-UHFFFAOYSA-N 0 1 249.379 3.928 20 0 BHADMN CC(C)(C)c1ccc(CNCc2ccsc2)o1 ZINC000865814911 589462933 /nfs/dbraw/zinc/46/29/33/589462933.db2.gz QQQWIZZEDOMMGP-UHFFFAOYSA-N 0 1 249.379 3.928 20 0 BHADMN Cc1ccc([C@@H](C)N[C@@H]2CCCC[C@@H]2F)o1 ZINC000866449014 589493511 /nfs/dbraw/zinc/49/35/11/589493511.db2.gz PJEVOTXAULGPSO-GRYCIOLGSA-N 0 1 225.307 3.519 20 0 BHADMN Cc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2F)o1 ZINC000866449015 589493348 /nfs/dbraw/zinc/49/33/48/589493348.db2.gz PJEVOTXAULGPSO-SDDRHHMPSA-N 0 1 225.307 3.519 20 0 BHADMN Cc1ccc(CN[C@H](C)c2ccc(F)cc2C)o1 ZINC000866479138 589495573 /nfs/dbraw/zinc/49/55/73/589495573.db2.gz QPSHXWPNEMKGEV-GFCCVEGCSA-N 0 1 247.313 3.886 20 0 BHADMN Cc1ccc(CN[C@@H](C)c2ccc(F)cc2C)o1 ZINC000866479140 589495602 /nfs/dbraw/zinc/49/56/02/589495602.db2.gz QPSHXWPNEMKGEV-LBPRGKRZSA-N 0 1 247.313 3.886 20 0 BHADMN CC1(C)C[C@@H](NCCF)c2ccccc2S1 ZINC000872069458 589863845 /nfs/dbraw/zinc/86/38/45/589863845.db2.gz PRBBZVAASDCSEH-LLVKDONJSA-N 0 1 239.359 3.561 20 0 BHADMN CC1(C)C[C@H](NCCF)c2ccccc2S1 ZINC000872069459 589863946 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KLRJZQXOYJEPLF-QMMMGPOBSA-N 0 1 246.807 3.663 20 0 BHADMN CC(C)CN(Cc1nc(Cl)cs1)C(C)C ZINC000876611986 590222152 /nfs/dbraw/zinc/22/21/52/590222152.db2.gz YLGBPCLAQUQTGD-UHFFFAOYSA-N 0 1 246.807 3.663 20 0 BHADMN CCN(Cc1nc(Cl)cs1)[C@H](C)C(C)C ZINC000876643298 590225829 /nfs/dbraw/zinc/22/58/29/590225829.db2.gz CHWKAPNPBDZDFL-SECBINFHSA-N 0 1 246.807 3.663 20 0 BHADMN CCN(Cc1nc(Cl)cs1)[C@@H](C)C(C)C ZINC000876643299 590225868 /nfs/dbraw/zinc/22/58/68/590225868.db2.gz CHWKAPNPBDZDFL-VIFPVBQESA-N 0 1 246.807 3.663 20 0 BHADMN CC(C)N(Cc1nc(Cl)cs1)C1CCC1 ZINC000876759946 590238960 /nfs/dbraw/zinc/23/89/60/590238960.db2.gz QZWSBQZRJFSXMS-UHFFFAOYSA-N 0 1 244.791 3.559 20 0 BHADMN CN(Cc1nc(Cl)cs1)C1(C)CCCC1 ZINC000877483278 590338167 /nfs/dbraw/zinc/33/81/67/590338167.db2.gz RQFNFFZRHQNZJG-UHFFFAOYSA-N 0 1 244.791 3.561 20 0 BHADMN CCN(Cc1nc(Cl)cs1)CC(C)(C)C ZINC000877544015 590352643 /nfs/dbraw/zinc/35/26/43/590352643.db2.gz KCKKHHWZSZRVFN-UHFFFAOYSA-N 0 1 246.807 3.665 20 0 BHADMN Clc1ncsc1CN1CCCCCCC1 ZINC000877902365 590443353 /nfs/dbraw/zinc/44/33/53/590443353.db2.gz OKDWGNPMAVFDOJ-UHFFFAOYSA-N 0 1 244.791 3.563 20 0 BHADMN CN(Cc1scnc1Cl)C1CCCCC1 ZINC000877935039 590452352 /nfs/dbraw/zinc/45/23/52/590452352.db2.gz OCDKFJXBIRNZDB-UHFFFAOYSA-N 0 1 244.791 3.561 20 0 BHADMN CC[C@@H]1CCCCN1Cc1scnc1Cl ZINC000877935462 590451940 /nfs/dbraw/zinc/45/19/40/590451940.db2.gz RQKOKZTZTPIFQX-SECBINFHSA-N 0 1 244.791 3.561 20 0 BHADMN CC[C@H]1CCCCN1Cc1scnc1Cl ZINC000877935463 590451769 /nfs/dbraw/zinc/45/17/69/590451769.db2.gz RQKOKZTZTPIFQX-VIFPVBQESA-N 0 1 244.791 3.561 20 0 BHADMN C[C@@H](N(C)Cc1scnc1Cl)C(C)(C)C ZINC000877953436 590456741 /nfs/dbraw/zinc/45/67/41/590456741.db2.gz MVBVMDODANCFJH-MRVPVSSYSA-N 0 1 246.807 3.663 20 0 BHADMN C[C@H](N(C)Cc1scnc1Cl)C(C)(C)C ZINC000877953437 590456761 /nfs/dbraw/zinc/45/67/61/590456761.db2.gz MVBVMDODANCFJH-QMMMGPOBSA-N 0 1 246.807 3.663 20 0 BHADMN CC(C)CN(Cc1scnc1Cl)C(C)C ZINC000877966752 590461377 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C[C@@H]1CCCCCN1Cc1scnc1Cl ZINC000878107247 590496389 /nfs/dbraw/zinc/49/63/89/590496389.db2.gz VYEXNVRSSSXCSI-SECBINFHSA-N 0 1 244.791 3.561 20 0 BHADMN C[C@H]1CCCCCN1Cc1scnc1Cl ZINC000878107248 590495903 /nfs/dbraw/zinc/49/59/03/590495903.db2.gz VYEXNVRSSSXCSI-VIFPVBQESA-N 0 1 244.791 3.561 20 0 BHADMN CC[C@H]1CC[C@@H](C)N1Cc1scnc1Cl ZINC000878339986 590551260 /nfs/dbraw/zinc/55/12/60/590551260.db2.gz HEHMVRLDUFPIJT-BDAKNGLRSA-N 0 1 244.791 3.559 20 0 BHADMN CC[C@@H]1CC[C@H](C)N1Cc1scnc1Cl ZINC000878339988 590550953 /nfs/dbraw/zinc/55/09/53/590550953.db2.gz HEHMVRLDUFPIJT-DTWKUNHWSA-N 0 1 244.791 3.559 20 0 BHADMN CC[C@H]1CC[C@H](C)N1Cc1scnc1Cl ZINC000878339989 590551222 /nfs/dbraw/zinc/55/12/22/590551222.db2.gz HEHMVRLDUFPIJT-IUCAKERBSA-N 0 1 244.791 3.559 20 0 BHADMN CC[C@@H]1CC[C@@H](C)N1Cc1scnc1Cl ZINC000878339991 590550904 /nfs/dbraw/zinc/55/09/04/590550904.db2.gz HEHMVRLDUFPIJT-RKDXNWHRSA-N 0 1 244.791 3.559 20 0 BHADMN C=C/C=C/CCN1CCC[C@@H]1c1csc(C)n1 ZINC000878452162 590569351 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C[C@H]1c2sccc2CCN1CCC(F)(F)F ZINC000880376897 583530685 /nfs/dbraw/zinc/53/06/85/583530685.db2.gz LEHRPGIEDGIBBN-QMMMGPOBSA-N 0 1 249.301 3.620 20 0 BHADMN CCSc1ccc(CNCc2ccoc2)cc1 ZINC000883235621 591582222 /nfs/dbraw/zinc/58/22/22/591582222.db2.gz HIHHAZFUDLFRJZ-UHFFFAOYSA-N 0 1 247.363 3.681 20 0 BHADMN CCSc1ccc(CNCc2ccco2)cc1 ZINC000883237046 591582837 /nfs/dbraw/zinc/58/28/37/591582837.db2.gz QILJXNVFWBQYPE-UHFFFAOYSA-N 0 1 247.363 3.681 20 0 BHADMN Cc1coc(CN[C@H](c2cccs2)C2CC2)c1 ZINC000885910573 592108050 /nfs/dbraw/zinc/10/80/50/592108050.db2.gz JSLKQVHARJSHOM-AWEZNQCLSA-N 0 1 247.363 3.890 20 0 BHADMN Cc1coc(CN[C@@H](c2cccs2)C2CC2)c1 ZINC000885910575 592108171 /nfs/dbraw/zinc/10/81/71/592108171.db2.gz JSLKQVHARJSHOM-CQSZACIVSA-N 0 1 247.363 3.890 20 0 BHADMN Cc1[nH]nc(CNc2cc(Cl)ccc2C)c1C ZINC000885928652 592108668 /nfs/dbraw/zinc/10/86/68/592108668.db2.gz CWKARJADVGKKDN-UHFFFAOYSA-N 0 1 249.745 3.600 20 0 BHADMN CCCc1ccccc1NCc1n[nH]c(C)c1C ZINC000885929091 592108732 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20 0 BHADMN Cc1coc(CNC(C)(C)c2ccc(F)cc2)c1 ZINC000885967718 592117849 /nfs/dbraw/zinc/11/78/49/592117849.db2.gz XCEJZHITQAAPDI-UHFFFAOYSA-N 0 1 247.313 3.752 20 0 BHADMN Cc1coc(CN[C@H]2CCc3c2cccc3C)c1 ZINC000885970567 592119212 /nfs/dbraw/zinc/11/92/12/592119212.db2.gz DCNGBOJSUGXOPE-INIZCTEOSA-N 0 1 241.334 3.674 20 0 BHADMN Cc1coc(CN[C@@H]2CCc3c2cccc3C)c1 ZINC000885970568 592119127 /nfs/dbraw/zinc/11/91/27/592119127.db2.gz DCNGBOJSUGXOPE-MRXNPFEDSA-N 0 1 241.334 3.674 20 0 BHADMN Cc1coc(CN[C@H]2CCc3ccc(C)cc32)c1 ZINC000885972377 592119377 /nfs/dbraw/zinc/11/93/77/592119377.db2.gz AQNZYSPGIQUWQI-INIZCTEOSA-N 0 1 241.334 3.674 20 0 BHADMN Cc1coc(CN[C@@H]2CCc3ccc(C)cc32)c1 ZINC000885972378 592118816 /nfs/dbraw/zinc/11/88/16/592118816.db2.gz AQNZYSPGIQUWQI-MRXNPFEDSA-N 0 1 241.334 3.674 20 0 BHADMN Cc1coc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000885972395 592119132 /nfs/dbraw/zinc/11/91/32/592119132.db2.gz BIPVMWOLWBSRCL-HNNXBMFYSA-N 0 1 245.297 3.504 20 0 BHADMN Cc1coc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000885972396 592118705 /nfs/dbraw/zinc/11/87/05/592118705.db2.gz BIPVMWOLWBSRCL-OAHLLOKOSA-N 0 1 245.297 3.504 20 0 BHADMN Cc1coc(CNC(C)(C)c2cccs2)c1 ZINC000885990077 592123571 /nfs/dbraw/zinc/12/35/71/592123571.db2.gz BCLDPANTTAFPHJ-UHFFFAOYSA-N 0 1 235.352 3.674 20 0 BHADMN Cc1coc(CNC(C)(C)c2cccc(F)c2)c1 ZINC000885992465 592123923 /nfs/dbraw/zinc/12/39/23/592123923.db2.gz ILLGQAXYXOBJJP-UHFFFAOYSA-N 0 1 247.313 3.752 20 0 BHADMN Cc1[nH]nc(CNc2cccc(Cl)c2C)c1C ZINC000886026131 592135959 /nfs/dbraw/zinc/13/59/59/592135959.db2.gz QBNMGPFDSQXJNZ-UHFFFAOYSA-N 0 1 249.745 3.600 20 0 BHADMN Cc1[nH]nc(CNc2ccccc2C(C)C)c1C ZINC000886026585 592135670 /nfs/dbraw/zinc/13/56/70/592135670.db2.gz YZEBPKQPMPDZFO-UHFFFAOYSA-N 0 1 243.354 3.762 20 0 BHADMN Cc1[nH]nc(CNc2ccc(Cl)cc2C)c1C ZINC000886051733 592139794 /nfs/dbraw/zinc/13/97/94/592139794.db2.gz CBULPXPXARIVJF-UHFFFAOYSA-N 0 1 249.745 3.600 20 0 BHADMN Cc1[nH]nc(CNc2ccc(C)cc2Cl)c1C ZINC000886052151 592140358 /nfs/dbraw/zinc/14/03/58/592140358.db2.gz MBIUFWZEXSEHRH-UHFFFAOYSA-N 0 1 249.745 3.600 20 0 BHADMN Cc1[nH]nc(CNc2cc(C)ccc2Cl)c1C ZINC000886052862 592140798 /nfs/dbraw/zinc/14/07/98/592140798.db2.gz ZRKSWFCBBVFTOB-UHFFFAOYSA-N 0 1 249.745 3.600 20 0 BHADMN Cc1[nH]nc(CNc2cccc(C)c2Cl)c1C ZINC000886055024 592141051 /nfs/dbraw/zinc/14/10/51/592141051.db2.gz QKKGJWTVCAHMIG-UHFFFAOYSA-N 0 1 249.745 3.600 20 0 BHADMN Cc1[nH]nc(CNc2ccc(C3CC3)cc2)c1C ZINC000886055134 592140807 /nfs/dbraw/zinc/14/08/07/592140807.db2.gz SLDHRVIWCLYLMX-UHFFFAOYSA-N 0 1 241.338 3.516 20 0 BHADMN CCc1ccc(NCc2n[nH]c(C)c2C)cc1C ZINC000886055210 592141056 /nfs/dbraw/zinc/14/10/56/592141056.db2.gz VLQVBOVMHQFTLC-UHFFFAOYSA-N 0 1 243.354 3.509 20 0 BHADMN CCc1cc(NCc2n[nH]c(C)c2C)ccc1C ZINC000886057211 592141397 /nfs/dbraw/zinc/14/13/97/592141397.db2.gz IRDCWXZPUOTFFN-UHFFFAOYSA-N 0 1 243.354 3.509 20 0 BHADMN Cc1[nH]nc(CNc2c(C)cc(C)cc2C)c1C ZINC000886057355 592140889 /nfs/dbraw/zinc/14/08/89/592140889.db2.gz 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BHADMN C[C@@H](NC1CCC(=C2CCC2)CC1)C(F)F ZINC000895726026 636174550 /nfs/dbraw/zinc/17/45/50/636174550.db2.gz XHMJDTULOKSQKD-SECBINFHSA-N 0 1 229.314 3.653 20 0 BHADMN C[C@H](NC1CCC(=C2CCC2)CC1)C(F)F ZINC000895726027 636175090 /nfs/dbraw/zinc/17/50/90/636175090.db2.gz XHMJDTULOKSQKD-VIFPVBQESA-N 0 1 229.314 3.653 20 0 BHADMN CCCC[C@H](CCC)N[C@H](C)c1ncco1 ZINC000895763216 583722851 /nfs/dbraw/zinc/72/28/51/583722851.db2.gz AARNNFUOLQSKIO-NEPJUHHUSA-N 0 1 224.348 3.684 20 0 BHADMN CCCC[C@@H](CCC)N[C@@H](C)c1ncco1 ZINC000895763217 583722380 /nfs/dbraw/zinc/72/23/80/583722380.db2.gz AARNNFUOLQSKIO-NWDGAFQWSA-N 0 1 224.348 3.684 20 0 BHADMN CCCC[C@H](CCC)N[C@@H](C)c1ncco1 ZINC000895763218 583722277 /nfs/dbraw/zinc/72/22/77/583722277.db2.gz AARNNFUOLQSKIO-RYUDHWBXSA-N 0 1 224.348 3.684 20 0 BHADMN CCCC[C@@H](CCC)N[C@H](C)c1ncco1 ZINC000895763219 583722684 /nfs/dbraw/zinc/72/26/84/583722684.db2.gz AARNNFUOLQSKIO-VXGBXAGGSA-N 0 1 224.348 3.684 20 0 BHADMN CCCCCC[C@@H](C)N[C@@H](C)c1ncco1 ZINC000895763498 583722807 /nfs/dbraw/zinc/72/28/07/583722807.db2.gz CYUYBSLZDXQIPL-NEPJUHHUSA-N 0 1 224.348 3.684 20 0 BHADMN CCCCCC[C@H](C)N[C@H](C)c1ncco1 ZINC000895763500 583722411 /nfs/dbraw/zinc/72/24/11/583722411.db2.gz CYUYBSLZDXQIPL-NWDGAFQWSA-N 0 1 224.348 3.684 20 0 BHADMN CCCCCC[C@H](C)N[C@@H](C)c1ncco1 ZINC000895763502 583722348 /nfs/dbraw/zinc/72/23/48/583722348.db2.gz CYUYBSLZDXQIPL-RYUDHWBXSA-N 0 1 224.348 3.684 20 0 BHADMN CCCCCC[C@@H](C)N[C@H](C)c1ncco1 ZINC000895763503 583722563 /nfs/dbraw/zinc/72/25/63/583722563.db2.gz CYUYBSLZDXQIPL-VXGBXAGGSA-N 0 1 224.348 3.684 20 0 BHADMN CC[C@@H]1CCCC[C@@H]1CN[C@H](C)c1ncco1 ZINC000895764872 583723301 /nfs/dbraw/zinc/72/33/01/583723301.db2.gz KCVPDGXRUURCGP-JHJVBQTASA-N 0 1 236.359 3.542 20 0 BHADMN CC[C@@H]1CCCC[C@H]1CN[C@H](C)c1ncco1 ZINC000895764873 583723619 /nfs/dbraw/zinc/72/36/19/583723619.db2.gz KCVPDGXRUURCGP-UPJWGTAASA-N 0 1 236.359 3.542 20 0 BHADMN CC[C@@H]1CCCC[C@H]1CN[C@@H](C)c1ncco1 ZINC000895764875 583723313 /nfs/dbraw/zinc/72/33/13/583723313.db2.gz KCVPDGXRUURCGP-XQQFMLRXSA-N 0 1 236.359 3.542 20 0 BHADMN CC[C@@H]1CCCC[C@@H]1CN[C@@H](C)c1ncco1 ZINC000895764877 583723412 /nfs/dbraw/zinc/72/34/12/583723412.db2.gz KCVPDGXRUURCGP-YNEHKIRRSA-N 0 1 236.359 3.542 20 0 BHADMN C[C@H](CCN[C@H](C)c1ncco1)c1ccccc1 ZINC000895764902 583723156 /nfs/dbraw/zinc/72/31/56/583723156.db2.gz KNWUDZOEOYGASM-CHWSQXEVSA-N 0 1 244.338 3.519 20 0 BHADMN C[C@H](CCN[C@@H](C)c1ncco1)c1ccccc1 ZINC000895764903 583723004 /nfs/dbraw/zinc/72/30/04/583723004.db2.gz KNWUDZOEOYGASM-OLZOCXBDSA-N 0 1 244.338 3.519 20 0 BHADMN C[C@@H](NCC[C@H](C)c1ccccc1)c1ncco1 ZINC000895764904 583723102 /nfs/dbraw/zinc/72/31/02/583723102.db2.gz KNWUDZOEOYGASM-QWHCGFSZSA-N 0 1 244.338 3.519 20 0 BHADMN C[C@@H](CCN[C@@H](C)c1ncco1)c1ccccc1 ZINC000895764905 583723477 /nfs/dbraw/zinc/72/34/77/583723477.db2.gz KNWUDZOEOYGASM-STQMWFEESA-N 0 1 244.338 3.519 20 0 BHADMN CC(C)CCC[C@@H](C)N[C@@H](C)c1ncco1 ZINC000895765194 583723474 /nfs/dbraw/zinc/72/34/74/583723474.db2.gz KSLLGJPKKSXAQI-NEPJUHHUSA-N 0 1 224.348 3.540 20 0 BHADMN CC(C)CCC[C@H](C)N[C@H](C)c1ncco1 ZINC000895765195 583723617 /nfs/dbraw/zinc/72/36/17/583723617.db2.gz KSLLGJPKKSXAQI-NWDGAFQWSA-N 0 1 224.348 3.540 20 0 BHADMN CC(C)CCC[C@H](C)N[C@@H](C)c1ncco1 ZINC000895765196 583723136 /nfs/dbraw/zinc/72/31/36/583723136.db2.gz KSLLGJPKKSXAQI-RYUDHWBXSA-N 0 1 224.348 3.540 20 0 BHADMN CC(C)CCC[C@@H](C)N[C@H](C)c1ncco1 ZINC000895765197 583723142 /nfs/dbraw/zinc/72/31/42/583723142.db2.gz KSLLGJPKKSXAQI-VXGBXAGGSA-N 0 1 224.348 3.540 20 0 BHADMN C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)c1ncco1 ZINC000895765239 583723122 /nfs/dbraw/zinc/72/31/22/583723122.db2.gz LGKBOHCTFIJKGR-AGIUHOORSA-N 0 1 244.338 3.517 20 0 BHADMN C[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1ncco1 ZINC000895765242 583723422 /nfs/dbraw/zinc/72/34/22/583723422.db2.gz LGKBOHCTFIJKGR-AVGNSLFASA-N 0 1 244.338 3.517 20 0 BHADMN C[C@@H](N[C@@H](C)c1ncco1)[C@@H](C)c1ccccc1 ZINC000895765243 583723261 /nfs/dbraw/zinc/72/32/61/583723261.db2.gz LGKBOHCTFIJKGR-UPJWGTAASA-N 0 1 244.338 3.517 20 0 BHADMN C[C@@H](N[C@@H](C)c1ncco1)[C@H](C)c1ccccc1 ZINC000895765245 583723448 /nfs/dbraw/zinc/72/34/48/583723448.db2.gz LGKBOHCTFIJKGR-XQQFMLRXSA-N 0 1 244.338 3.517 20 0 BHADMN C[C@H](CCC(C)(C)C)N[C@H](C)c1ncco1 ZINC000895765256 583723611 /nfs/dbraw/zinc/72/36/11/583723611.db2.gz LIWYNHRVUFSQBD-GHMZBOCLSA-N 0 1 224.348 3.540 20 0 BHADMN C[C@H](CCC(C)(C)C)N[C@@H](C)c1ncco1 ZINC000895765258 583723283 /nfs/dbraw/zinc/72/32/83/583723283.db2.gz LIWYNHRVUFSQBD-MNOVXSKESA-N 0 1 224.348 3.540 20 0 BHADMN C[C@@H](CCC(C)(C)C)N[C@@H](C)c1ncco1 ZINC000895765260 583723130 /nfs/dbraw/zinc/72/31/30/583723130.db2.gz LIWYNHRVUFSQBD-QWRGUYRKSA-N 0 1 224.348 3.540 20 0 BHADMN C[C@@H](N[C@@H](C)CCC(C)(C)C)c1ncco1 ZINC000895765262 583723471 /nfs/dbraw/zinc/72/34/71/583723471.db2.gz LIWYNHRVUFSQBD-WDEREUQCSA-N 0 1 224.348 3.540 20 0 BHADMN CCC(CC)(CC)CN[C@H](C)c1ncco1 ZINC000895765279 583723434 /nfs/dbraw/zinc/72/34/34/583723434.db2.gz LORYDALSZZVCKH-LLVKDONJSA-N 0 1 224.348 3.542 20 0 BHADMN CCC(CC)(CC)CN[C@@H](C)c1ncco1 ZINC000895765281 583723250 /nfs/dbraw/zinc/72/32/50/583723250.db2.gz LORYDALSZZVCKH-NSHDSACASA-N 0 1 224.348 3.542 20 0 BHADMN C[C@@H](N[C@@H]1CCCC12CCCCC2)c1ncco1 ZINC000895765798 583719460 /nfs/dbraw/zinc/71/94/60/583719460.db2.gz QJWRNMRSBHUGQC-CHWSQXEVSA-N 0 1 248.370 3.828 20 0 BHADMN C[C@@H](N[C@H]1CCCC12CCCCC2)c1ncco1 ZINC000895765799 583719412 /nfs/dbraw/zinc/71/94/12/583719412.db2.gz QJWRNMRSBHUGQC-OLZOCXBDSA-N 0 1 248.370 3.828 20 0 BHADMN C[C@H](N[C@@H]1CCCC12CCCCC2)c1ncco1 ZINC000895765800 583719387 /nfs/dbraw/zinc/71/93/87/583719387.db2.gz QJWRNMRSBHUGQC-QWHCGFSZSA-N 0 1 248.370 3.828 20 0 BHADMN C[C@H](N[C@H]1CCCC12CCCCC2)c1ncco1 ZINC000895765801 583718974 /nfs/dbraw/zinc/71/89/74/583718974.db2.gz QJWRNMRSBHUGQC-STQMWFEESA-N 0 1 248.370 3.828 20 0 BHADMN C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ncco1 ZINC000895765879 583719206 /nfs/dbraw/zinc/71/92/06/583719206.db2.gz OXDVELRFSCSMCH-IGQOVBAYSA-N 0 1 248.370 3.684 20 0 BHADMN C[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ncco1 ZINC000895765880 583719502 /nfs/dbraw/zinc/71/95/02/583719502.db2.gz OXDVELRFSCSMCH-REWJHTLYSA-N 0 1 248.370 3.684 20 0 BHADMN C[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ncco1 ZINC000895765881 583719212 /nfs/dbraw/zinc/71/92/12/583719212.db2.gz OXDVELRFSCSMCH-RFQIPJPRSA-N 0 1 248.370 3.684 20 0 BHADMN C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ncco1 ZINC000895765882 583719117 /nfs/dbraw/zinc/71/91/17/583719117.db2.gz OXDVELRFSCSMCH-XDQVBPFNSA-N 0 1 248.370 3.684 20 0 BHADMN C[C@@H](NCCCC1CCCCC1)c1ncco1 ZINC000895765936 583719131 /nfs/dbraw/zinc/71/91/31/583719131.db2.gz QARXSQUTRHNLMD-GFCCVEGCSA-N 0 1 236.359 3.686 20 0 BHADMN C[C@H](NCCCC1CCCCC1)c1ncco1 ZINC000895765938 583719466 /nfs/dbraw/zinc/71/94/66/583719466.db2.gz QARXSQUTRHNLMD-LBPRGKRZSA-N 0 1 236.359 3.686 20 0 BHADMN Cc1cccc(CN[C@H](C)c2cncs2)c1C ZINC000897935670 584062379 /nfs/dbraw/zinc/06/23/79/584062379.db2.gz YOAXKSMYWOXOJI-GFCCVEGCSA-N 0 1 246.379 3.611 20 0 BHADMN Cc1cccc(CN[C@@H](C)c2cncs2)c1C ZINC000897935671 584061898 /nfs/dbraw/zinc/06/18/98/584061898.db2.gz YOAXKSMYWOXOJI-LBPRGKRZSA-N 0 1 246.379 3.611 20 0 BHADMN CCCCC1(NCc2nc(Cl)cs2)CC1 ZINC000897936380 584062170 /nfs/dbraw/zinc/06/21/70/584062170.db2.gz VYWQCKWDAXKYDY-UHFFFAOYSA-N 0 1 244.791 3.609 20 0 BHADMN CC1=CC[C@@H](NCc2nc(C(C)(C)C)co2)CC1 ZINC000897944281 584063053 /nfs/dbraw/zinc/06/30/53/584063053.db2.gz LFAPHIIGXJZHID-GFCCVEGCSA-N 0 1 248.370 3.561 20 0 BHADMN CC1=CC[C@H](NCc2nc(C(C)(C)C)co2)CC1 ZINC000897944282 584062570 /nfs/dbraw/zinc/06/25/70/584062570.db2.gz LFAPHIIGXJZHID-LBPRGKRZSA-N 0 1 248.370 3.561 20 0 BHADMN Fc1cc(CNC/C=C/Cl)ccc1C(F)F ZINC000898428769 584133289 /nfs/dbraw/zinc/13/32/89/584133289.db2.gz PEXDZYLUVKGXIV-DAFODLJHSA-N 0 1 249.663 3.605 20 0 BHADMN Fc1cc(CNC/C=C\Cl)ccc1C(F)F ZINC000898428774 584133195 /nfs/dbraw/zinc/13/31/95/584133195.db2.gz PEXDZYLUVKGXIV-RJRFIUFISA-N 0 1 249.663 3.605 20 0 BHADMN CC(C)c1ccc(-c2cc(C(C)(C)N)on2)cc1 ZINC000901389440 584436992 /nfs/dbraw/zinc/43/69/92/584436992.db2.gz AOFSXHXFCDZTOG-UHFFFAOYSA-N 0 1 244.338 3.659 20 0 BHADMN Cc1cn[nH]c1CSC1CCC(F)(F)CC1 ZINC000901740200 584489161 /nfs/dbraw/zinc/48/91/61/584489161.db2.gz CXSBZENBUGJJMH-UHFFFAOYSA-N 0 1 246.326 3.529 20 0 BHADMN Cc1cn[nH]c1CS[C@H](C)c1ccccc1 ZINC000902281801 584547163 /nfs/dbraw/zinc/54/71/63/584547163.db2.gz LUPUCUWUGWFXOM-LLVKDONJSA-N 0 1 232.352 3.713 20 0 BHADMN Cc1cn[nH]c1CS[C@@H](C)c1ccccc1 ZINC000902281802 584547330 /nfs/dbraw/zinc/54/73/30/584547330.db2.gz LUPUCUWUGWFXOM-NSHDSACASA-N 0 1 232.352 3.713 20 0 BHADMN Cc1cn[nH]c1CS[C@H]1CCc2ccccc21 ZINC000902381519 584576725 /nfs/dbraw/zinc/57/67/25/584576725.db2.gz NKPNUFKOMHNABJ-AWEZNQCLSA-N 0 1 244.363 3.639 20 0 BHADMN Cc1cn[nH]c1CS[C@@H]1CCc2ccccc21 ZINC000902381521 584576848 /nfs/dbraw/zinc/57/68/48/584576848.db2.gz NKPNUFKOMHNABJ-CQSZACIVSA-N 0 1 244.363 3.639 20 0 BHADMN CC[C@@H](CSCc1[nH]ncc1C)CC(F)F ZINC000902424556 584593702 /nfs/dbraw/zinc/59/37/02/584593702.db2.gz SEMYISSCRKJNMB-SECBINFHSA-N 0 1 248.342 3.633 20 0 BHADMN CC[C@H](CSCc1[nH]ncc1C)CC(F)F ZINC000902424558 584593806 /nfs/dbraw/zinc/59/38/06/584593806.db2.gz SEMYISSCRKJNMB-VIFPVBQESA-N 0 1 248.342 3.633 20 0 BHADMN CCCCC1(N[C@@H](C)c2nccs2)CC1 ZINC000903308734 584747805 /nfs/dbraw/zinc/74/78/05/584747805.db2.gz BMSFQQVQXAPYOK-JTQLQIEISA-N 0 1 224.373 3.517 20 0 BHADMN CCCCC1(N[C@H](C)c2nccs2)CC1 ZINC000903309030 584747709 /nfs/dbraw/zinc/74/77/09/584747709.db2.gz BMSFQQVQXAPYOK-SNVBAGLBSA-N 0 1 224.373 3.517 20 0 BHADMN CCCCC1(N[C@@H](C)c2cscn2)CC1 ZINC000903310481 584748167 /nfs/dbraw/zinc/74/81/67/584748167.db2.gz JSDSLTALVFSZQT-JTQLQIEISA-N 0 1 224.373 3.517 20 0 BHADMN CCCCC1(N[C@H](C)c2cscn2)CC1 ZINC000903310482 584748180 /nfs/dbraw/zinc/74/81/80/584748180.db2.gz JSDSLTALVFSZQT-SNVBAGLBSA-N 0 1 224.373 3.517 20 0 BHADMN CCCCC1(N[C@@H](C)c2csc(C)n2)CC1 ZINC000903312837 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