smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc(CN[C@@H]2CCCc3ccccc32)cs1 ZINC000000251495 183442789 /nfs/dbraw/zinc/44/27/89/183442789.db2.gz KEMCJGOPVGMEFE-OAHLLOKOSA-N 0 3 243.375 3.915 20 0 BHADHN Cc1ccc(SCCN2CCCCC2)cc1 ZINC000001603387 357001244 /nfs/dbraw/zinc/00/12/44/357001244.db2.gz USCJCKXEPTZUGR-UHFFFAOYSA-N 0 3 235.396 3.573 20 0 BHADHN Cc1ccccc1SCCN1CCCCC1 ZINC000001603388 357001285 /nfs/dbraw/zinc/00/12/85/357001285.db2.gz DHEWTWGZYOOTQC-UHFFFAOYSA-N 0 3 235.396 3.573 20 0 BHADHN c1ccc(CCNc2ccnc3ccccc32)cc1 ZINC000001729253 183395082 /nfs/dbraw/zinc/39/50/82/183395082.db2.gz FGKUOPSGOIHRAV-UHFFFAOYSA-N 0 3 248.329 3.889 20 0 BHADHN Cc1ccc(CN2CCc3ccccc3C2)s1 ZINC000002389218 388455369 /nfs/dbraw/zinc/45/53/69/388455369.db2.gz QXVLCMKUOIWHIQ-UHFFFAOYSA-N 0 3 243.375 3.615 20 0 BHADHN C[C@@H](c1ccccc1)N1Cc2ccccc2C1 ZINC000002486723 176021614 /nfs/dbraw/zinc/02/16/14/176021614.db2.gz GJJSQPPDUJHDOE-ZDUSSCGKSA-N 0 3 223.319 3.763 20 0 BHADHN C[C@H](c1ccccc1)N1Cc2ccccc2C1 ZINC000002486725 177039598 /nfs/dbraw/zinc/03/95/98/177039598.db2.gz GJJSQPPDUJHDOE-CYBMUJFWSA-N 0 3 223.319 3.763 20 0 BHADHN CCN(Cc1ccccc1)Cc1ccccc1 ZINC000002560505 342724237 /nfs/dbraw/zinc/72/42/37/342724237.db2.gz WBGPDYJIPNTOIB-UHFFFAOYSA-N 0 3 225.335 3.709 20 0 BHADHN CNCc1nc(-c2ccc(C(C)C)cc2)cs1 ZINC000003710599 173395701 /nfs/dbraw/zinc/39/57/01/173395701.db2.gz DEVOBPFYUOMAHR-UHFFFAOYSA-N 0 3 246.379 3.653 20 0 BHADHN c1cc(CN[C@H]2CCCc3ccccc32)cs1 ZINC000004346407 384058362 /nfs/dbraw/zinc/05/83/62/384058362.db2.gz KEMCJGOPVGMEFE-HNNXBMFYSA-N 0 3 243.375 3.915 20 0 BHADHN CC(C)(NCc1ccccc1)c1ccccc1 ZINC000005383936 187247642 /nfs/dbraw/zinc/24/76/42/187247642.db2.gz JSUOCXDSNOVYIQ-UHFFFAOYSA-N 0 3 225.335 3.712 20 0 BHADHN Cc1cc(N2CCC(C)CC2)c2ccccc2n1 ZINC000005697652 350199739 /nfs/dbraw/zinc/19/97/39/350199739.db2.gz SSNGXHLGFUMUFA-UHFFFAOYSA-N 0 3 240.350 3.780 20 0 BHADHN Cc1cc(N2CCCCC2)c2ccccc2n1 ZINC000005697653 487969124 /nfs/dbraw/zinc/96/91/24/487969124.db2.gz YBJCWVOLJLXONB-UHFFFAOYSA-N 0 3 226.323 3.534 20 0 BHADHN Cc1cc(N2CCCCCC2)c2ccccc2n1 ZINC000005697654 350199625 /nfs/dbraw/zinc/19/96/25/350199625.db2.gz VCIFKVNBZGMMCK-UHFFFAOYSA-N 0 3 240.350 3.924 20 0 BHADHN Cc1cc(NCC(C)C)c2ccccc2n1 ZINC000005697655 178156866 /nfs/dbraw/zinc/15/68/66/178156866.db2.gz ZYVJAOIKXJHYDT-UHFFFAOYSA-N 0 3 214.312 3.611 20 0 BHADHN Cc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000006204459 357162325 /nfs/dbraw/zinc/16/23/25/357162325.db2.gz WTMGISMFFAUECA-UHFFFAOYSA-N 0 3 237.346 3.553 20 0 BHADHN C(=C/c1ccccc1)\CN1CCc2ccccc2C1 ZINC000006227407 357196091 /nfs/dbraw/zinc/19/60/91/357196091.db2.gz NGTBVPMVXAYHJZ-RMKNXTFCSA-N 0 3 249.357 3.758 20 0 BHADHN CCCCCCN1CCc2ccc(OC)cc2C1 ZINC000006309946 588360165 /nfs/dbraw/zinc/36/01/65/588360165.db2.gz OZYFEQVQMBRJSF-UHFFFAOYSA-N 0 3 247.382 3.634 20 0 BHADHN Cc1cc(CN(C)Cc2ccccc2)cs1 ZINC000006895137 388529624 /nfs/dbraw/zinc/52/96/24/388529624.db2.gz LQXXPHWJLPHITG-UHFFFAOYSA-N 0 3 231.364 3.689 20 0 BHADHN CCC[C@H](NCc1ccncc1)c1ccccc1 ZINC000010315429 342835521 /nfs/dbraw/zinc/83/55/21/342835521.db2.gz CYUHVFLSYYURMX-INIZCTEOSA-N 0 3 240.350 3.713 20 0 BHADHN CCC[C@@H](NCc1ccncc1)c1ccccc1 ZINC000010315430 384274134 /nfs/dbraw/zinc/27/41/34/384274134.db2.gz CYUHVFLSYYURMX-MRXNPFEDSA-N 0 3 240.350 3.713 20 0 BHADHN CCC[C@H](NCc1ccccn1)c1ccccc1 ZINC000010315441 347079572 /nfs/dbraw/zinc/07/95/72/347079572.db2.gz ADDGJIYMXLOFMU-INIZCTEOSA-N 0 3 240.350 3.713 20 0 BHADHN CCC[C@@H](NCc1ccccn1)c1ccccc1 ZINC000010315442 385622408 /nfs/dbraw/zinc/62/24/08/385622408.db2.gz ADDGJIYMXLOFMU-MRXNPFEDSA-N 0 3 240.350 3.713 20 0 BHADHN Cc1sc([C@H](C)N)nc1-c1ccc(C)c(C)c1 ZINC000011886962 178336863 /nfs/dbraw/zinc/33/68/63/178336863.db2.gz BUNCWLDKOPXSPM-JTQLQIEISA-N 0 3 246.379 3.755 20 0 BHADHN c1ccc2c(CNC3CCCCCC3)noc2c1 ZINC000013346190 387346571 /nfs/dbraw/zinc/34/65/71/387346571.db2.gz BNYNZFXASNAKCV-UHFFFAOYSA-N 0 3 244.338 3.640 20 0 BHADHN CC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000014193590 344446709 /nfs/dbraw/zinc/44/67/09/344446709.db2.gz PTSGOTMIKRWWGP-UHFFFAOYSA-N 0 3 223.747 3.572 20 0 BHADHN C[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000014193663 344446320 /nfs/dbraw/zinc/44/63/20/344446320.db2.gz CTWBKYWRAIAHSW-LLVKDONJSA-N 0 3 223.747 3.572 20 0 BHADHN C[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000014193664 344446342 /nfs/dbraw/zinc/44/63/42/344446342.db2.gz CTWBKYWRAIAHSW-NSHDSACASA-N 0 3 223.747 3.572 20 0 BHADHN C[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000014193800 344446982 /nfs/dbraw/zinc/44/69/82/344446982.db2.gz XZSGYYACXZVVJX-LLVKDONJSA-N 0 3 223.747 3.714 20 0 BHADHN C[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000014193801 344447029 /nfs/dbraw/zinc/44/70/29/344447029.db2.gz XZSGYYACXZVVJX-NSHDSACASA-N 0 3 223.747 3.714 20 0 BHADHN C[C@@H]1CCC[C@@H](C)N1Cc1ccccc1F ZINC000014193912 176116644 /nfs/dbraw/zinc/11/66/44/176116644.db2.gz YSFZQVJCESVYPF-VXGBXAGGSA-N 0 3 221.319 3.589 20 0 BHADHN C[C@@H]1CCC[C@H](C)N1Cc1ccccc1F ZINC000014193914 177117064 /nfs/dbraw/zinc/11/70/64/177117064.db2.gz YSFZQVJCESVYPF-TXEJJXNPSA-N 0 3 221.319 3.589 20 0 BHADHN C[C@H]1CCC[C@H](C)N1Cc1ccccc1F ZINC000014193915 177132680 /nfs/dbraw/zinc/13/26/80/177132680.db2.gz YSFZQVJCESVYPF-RYUDHWBXSA-N 0 3 221.319 3.589 20 0 BHADHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(F)cc1 ZINC000014193932 176116713 /nfs/dbraw/zinc/11/67/13/176116713.db2.gz DRCARXRIRVAEDE-VXGBXAGGSA-N 0 3 221.319 3.589 20 0 BHADHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(F)cc1 ZINC000014193934 177117167 /nfs/dbraw/zinc/11/71/67/177117167.db2.gz DRCARXRIRVAEDE-TXEJJXNPSA-N 0 3 221.319 3.589 20 0 BHADHN C[C@H]1CCC[C@H](C)N1Cc1ccc(F)cc1 ZINC000014193935 177132501 /nfs/dbraw/zinc/13/25/01/177132501.db2.gz DRCARXRIRVAEDE-RYUDHWBXSA-N 0 3 221.319 3.589 20 0 BHADHN C[C@@H]1CCC[C@@H](C)N1Cc1cccc(F)c1 ZINC000014193945 176116661 /nfs/dbraw/zinc/11/66/61/176116661.db2.gz OJOZRKFUBFKFOP-VXGBXAGGSA-N 0 3 221.319 3.589 20 0 BHADHN C[C@@H]1CCC[C@H](C)N1Cc1cccc(F)c1 ZINC000014193947 177117850 /nfs/dbraw/zinc/11/78/50/177117850.db2.gz OJOZRKFUBFKFOP-TXEJJXNPSA-N 0 3 221.319 3.589 20 0 BHADHN C[C@H]1CCC[C@H](C)N1Cc1cccc(F)c1 ZINC000014193948 177132196 /nfs/dbraw/zinc/13/21/96/177132196.db2.gz OJOZRKFUBFKFOP-RYUDHWBXSA-N 0 3 221.319 3.589 20 0 BHADHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(Cl)cc2)C1 ZINC000014194352 344446978 /nfs/dbraw/zinc/44/69/78/344446978.db2.gz ZEVGFPBCOADJNT-VXGBXAGGSA-N 0 3 237.774 3.818 20 0 BHADHN C[C@@H]1C[C@H](C)CN(Cc2ccc(Cl)cc2)C1 ZINC000014194354 344447045 /nfs/dbraw/zinc/44/70/45/344447045.db2.gz ZEVGFPBCOADJNT-TXEJJXNPSA-N 0 3 237.774 3.818 20 0 BHADHN C[C@H]1C[C@H](C)CN(Cc2ccc(Cl)cc2)C1 ZINC000014194355 344447076 /nfs/dbraw/zinc/44/70/76/344447076.db2.gz ZEVGFPBCOADJNT-RYUDHWBXSA-N 0 3 237.774 3.818 20 0 BHADHN C[C@@H]1C[C@@H](C)CN(Cc2ccccc2Cl)C1 ZINC000014194364 344446999 /nfs/dbraw/zinc/44/69/99/344446999.db2.gz RQOPOSWRRZHNSD-VXGBXAGGSA-N 0 3 237.774 3.818 20 0 BHADHN C[C@@H]1C[C@H](C)CN(Cc2ccccc2Cl)C1 ZINC000014194366 344447154 /nfs/dbraw/zinc/44/71/54/344447154.db2.gz RQOPOSWRRZHNSD-TXEJJXNPSA-N 0 3 237.774 3.818 20 0 BHADHN C[C@H]1C[C@H](C)CN(Cc2ccccc2Cl)C1 ZINC000014194367 344447127 /nfs/dbraw/zinc/44/71/27/344447127.db2.gz RQOPOSWRRZHNSD-RYUDHWBXSA-N 0 3 237.774 3.818 20 0 BHADHN C[C@@H]1C[C@@H](C)CN(Cc2cccc(Cl)c2)C1 ZINC000014194393 344446986 /nfs/dbraw/zinc/44/69/86/344446986.db2.gz DELDPSHFJKYDOB-VXGBXAGGSA-N 0 3 237.774 3.818 20 0 BHADHN C[C@@H]1C[C@H](C)CN(Cc2cccc(Cl)c2)C1 ZINC000014194395 344446947 /nfs/dbraw/zinc/44/69/47/344446947.db2.gz DELDPSHFJKYDOB-TXEJJXNPSA-N 0 3 237.774 3.818 20 0 BHADHN C[C@H]1C[C@H](C)CN(Cc2cccc(Cl)c2)C1 ZINC000014194396 344447235 /nfs/dbraw/zinc/44/72/35/344447235.db2.gz DELDPSHFJKYDOB-RYUDHWBXSA-N 0 3 237.774 3.818 20 0 BHADHN Cc1cccc(CN2CCc3ccccc3C2)c1 ZINC000014217341 179082945 /nfs/dbraw/zinc/08/29/45/179082945.db2.gz XBIZMIUAWSRTOC-UHFFFAOYSA-N 0 3 237.346 3.553 20 0 BHADHN CN(Cc1ccccc1F)C1CCCCC1 ZINC000014217951 344451826 /nfs/dbraw/zinc/45/18/26/344451826.db2.gz DXIJUTCIRYPRDJ-UHFFFAOYSA-N 0 3 221.319 3.590 20 0 BHADHN CC(C)CCC[C@@H](C)NCc1ccco1 ZINC000019230265 259378295 /nfs/dbraw/zinc/37/82/95/259378295.db2.gz RELWWORWOMSMKX-GFCCVEGCSA-N 0 3 209.333 3.584 20 0 BHADHN CC(C)CCC[C@H](C)NCc1ccco1 ZINC000019230266 259378255 /nfs/dbraw/zinc/37/82/55/259378255.db2.gz RELWWORWOMSMKX-LBPRGKRZSA-N 0 3 209.333 3.584 20 0 BHADHN CCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000019807383 169280691 /nfs/dbraw/zinc/28/06/91/169280691.db2.gz UWRQDNDLQLCOEI-INIZCTEOSA-N 0 3 243.325 3.915 20 0 BHADHN CCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000019807384 169290921 /nfs/dbraw/zinc/29/09/21/169290921.db2.gz UWRQDNDLQLCOEI-MRXNPFEDSA-N 0 3 243.325 3.915 20 0 BHADHN CCN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000019808041 170141281 /nfs/dbraw/zinc/14/12/81/170141281.db2.gz XIRHEKDUUAHCAA-ZETCQYMHSA-N 0 3 218.127 3.664 20 0 BHADHN CCN[C@H](C)c1cc(Cl)ccc1Cl ZINC000019808042 170159156 /nfs/dbraw/zinc/15/91/56/170159156.db2.gz XIRHEKDUUAHCAA-SSDOTTSWSA-N 0 3 218.127 3.664 20 0 BHADHN C[C@@H](NCc1cccc(F)c1)c1ccccc1 ZINC000019878035 385162664 /nfs/dbraw/zinc/16/26/64/385162664.db2.gz JXEKUIWJCDNYGR-GFCCVEGCSA-N 0 3 229.298 3.677 20 0 BHADHN C[C@H](NCc1cccc(F)c1)c1ccccc1 ZINC000019878038 385161641 /nfs/dbraw/zinc/16/16/41/385161641.db2.gz JXEKUIWJCDNYGR-LBPRGKRZSA-N 0 3 229.298 3.677 20 0 BHADHN C[C@@H](NCc1ccc(F)c(F)c1)c1ccccc1 ZINC000019878051 385161951 /nfs/dbraw/zinc/16/19/51/385161951.db2.gz UOWICZIKTADUSJ-LLVKDONJSA-N 0 3 247.288 3.816 20 0 BHADHN C[C@H](NCc1ccc(F)c(F)c1)c1ccccc1 ZINC000019878052 176875209 /nfs/dbraw/zinc/87/52/09/176875209.db2.gz UOWICZIKTADUSJ-NSHDSACASA-N 0 3 247.288 3.816 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccccc1 ZINC000019878492 342960884 /nfs/dbraw/zinc/96/08/84/342960884.db2.gz BQFQIRIOPXMTEQ-OLZOCXBDSA-N 0 3 241.334 3.804 20 0 BHADHN C[C@H](N[C@@H](C)c1cccc(O)c1)c1ccccc1 ZINC000019878494 384550303 /nfs/dbraw/zinc/55/03/03/384550303.db2.gz BQFQIRIOPXMTEQ-STQMWFEESA-N 0 3 241.334 3.804 20 0 BHADHN C[C@@H](N[C@H](C)c1cccc(O)c1)c1ccccc1 ZINC000019878496 342960770 /nfs/dbraw/zinc/96/07/70/342960770.db2.gz BQFQIRIOPXMTEQ-CHWSQXEVSA-N 0 3 241.334 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccccc1)c1cccc(O)c1 ZINC000019878498 342960723 /nfs/dbraw/zinc/96/07/23/342960723.db2.gz BQFQIRIOPXMTEQ-QWHCGFSZSA-N 0 3 241.334 3.804 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC2CCCCC2)o1 ZINC000019878915 385161789 /nfs/dbraw/zinc/16/17/89/385161789.db2.gz OYLAYPYCMMCSDN-RISCZKNCSA-N 0 3 233.355 3.825 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNC2CCCCC2)o1 ZINC000019878918 177351323 /nfs/dbraw/zinc/35/13/23/177351323.db2.gz OYLAYPYCMMCSDN-FZMZJTMJSA-N 0 3 233.355 3.825 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC2CCCCC2)o1 ZINC000019878919 385160486 /nfs/dbraw/zinc/16/04/86/385160486.db2.gz OYLAYPYCMMCSDN-BXUZGUMPSA-N 0 3 233.355 3.825 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNC2CCCCC2)o1 ZINC000019878921 385162846 /nfs/dbraw/zinc/16/28/46/385162846.db2.gz OYLAYPYCMMCSDN-SMDDNHRTSA-N 0 3 233.355 3.825 20 0 BHADHN C[C@@H](NC1CCCCC1)c1c(F)cccc1F ZINC000019878980 385162431 /nfs/dbraw/zinc/16/24/31/385162431.db2.gz VJRVHCRFEZPASB-SNVBAGLBSA-N 0 3 239.309 3.948 20 0 BHADHN C[C@H](NC1CCCCC1)c1c(F)cccc1F ZINC000019878982 385161501 /nfs/dbraw/zinc/16/15/01/385161501.db2.gz VJRVHCRFEZPASB-JTQLQIEISA-N 0 3 239.309 3.948 20 0 BHADHN C[C@@H](NC1CCCCC1)c1ccc(F)cc1F ZINC000019879100 385162410 /nfs/dbraw/zinc/16/24/10/385162410.db2.gz MCFYJTQPAYOOHB-SNVBAGLBSA-N 0 3 239.309 3.948 20 0 BHADHN C[C@H](NC1CCCCC1)c1ccc(F)cc1F ZINC000019879102 385162269 /nfs/dbraw/zinc/16/22/69/385162269.db2.gz MCFYJTQPAYOOHB-JTQLQIEISA-N 0 3 239.309 3.948 20 0 BHADHN C[C@@H](NC1CCCCC1)c1cc(F)ccc1F ZINC000019879119 385162502 /nfs/dbraw/zinc/16/25/02/385162502.db2.gz QQSQKURXAIURAN-SNVBAGLBSA-N 0 3 239.309 3.948 20 0 BHADHN C[C@H](NC1CCCCC1)c1cc(F)ccc1F ZINC000019879121 385162947 /nfs/dbraw/zinc/16/29/47/385162947.db2.gz QQSQKURXAIURAN-JTQLQIEISA-N 0 3 239.309 3.948 20 0 BHADHN CCC(C)(C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019879770 168299333 /nfs/dbraw/zinc/29/93/33/168299333.db2.gz KFIPEVHHOPCULA-CMPLNLGQSA-N 0 3 221.344 3.681 20 0 BHADHN CCC(C)(C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019879772 168299054 /nfs/dbraw/zinc/29/90/54/168299054.db2.gz KFIPEVHHOPCULA-JQWIXIFHSA-N 0 3 221.344 3.681 20 0 BHADHN CCC(C)(C)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019879773 168299502 /nfs/dbraw/zinc/29/95/02/168299502.db2.gz KFIPEVHHOPCULA-ZYHUDNBSSA-N 0 3 221.344 3.681 20 0 BHADHN CCC(C)(C)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000019879774 168299364 /nfs/dbraw/zinc/29/93/64/168299364.db2.gz KFIPEVHHOPCULA-PWSUYJOCSA-N 0 3 221.344 3.681 20 0 BHADHN CC(C)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000019880535 167134178 /nfs/dbraw/zinc/13/41/78/167134178.db2.gz BJPFJSZGLCJOJF-INIZCTEOSA-N 0 3 243.325 3.913 20 0 BHADHN CC(C)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000019880536 167139855 /nfs/dbraw/zinc/13/98/55/167139855.db2.gz BJPFJSZGLCJOJF-MRXNPFEDSA-N 0 3 243.325 3.913 20 0 BHADHN CC[C@@H](C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000019882086 342961263 /nfs/dbraw/zinc/96/12/63/342961263.db2.gz HFDBKJKXGWRWIU-CJNGLKHVSA-N 0 3 240.350 3.559 20 0 BHADHN CC[C@H](C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000019882089 171345722 /nfs/dbraw/zinc/34/57/22/171345722.db2.gz HFDBKJKXGWRWIU-BBRMVZONSA-N 0 3 240.350 3.559 20 0 BHADHN CC[C@@H](C)N[C@H](c1ccccc1)c1ccccn1 ZINC000019882092 342961346 /nfs/dbraw/zinc/96/13/46/342961346.db2.gz HFDBKJKXGWRWIU-CZUORRHYSA-N 0 3 240.350 3.559 20 0 BHADHN CC[C@H](C)N[C@H](c1ccccc1)c1ccccn1 ZINC000019882094 171348893 /nfs/dbraw/zinc/34/88/93/171348893.db2.gz HFDBKJKXGWRWIU-XJKSGUPXSA-N 0 3 240.350 3.559 20 0 BHADHN CC[C@@H](C)N[C@H](c1ccco1)c1ccccc1 ZINC000019882668 342961124 /nfs/dbraw/zinc/96/11/24/342961124.db2.gz AZBVGVJISLMYES-DOMZBBRYSA-N 0 3 229.323 3.757 20 0 BHADHN CC[C@H](C)N[C@H](c1ccco1)c1ccccc1 ZINC000019882669 171346460 /nfs/dbraw/zinc/34/64/60/171346460.db2.gz AZBVGVJISLMYES-WFASDCNBSA-N 0 3 229.323 3.757 20 0 BHADHN CC[C@@H](C)N[C@@H](c1ccco1)c1ccccc1 ZINC000019882671 342961354 /nfs/dbraw/zinc/96/13/54/342961354.db2.gz AZBVGVJISLMYES-IUODEOHRSA-N 0 3 229.323 3.757 20 0 BHADHN CC[C@H](C)N[C@@H](c1ccco1)c1ccccc1 ZINC000019882673 171348818 /nfs/dbraw/zinc/34/88/18/171348818.db2.gz AZBVGVJISLMYES-SWLSCSKDSA-N 0 3 229.323 3.757 20 0 BHADHN CC[C@@H](C)N[C@@H](C)c1nc2ccccc2s1 ZINC000019882675 170755833 /nfs/dbraw/zinc/75/58/33/170755833.db2.gz BHKOSPGJHLIUEH-ZJUUUORDSA-N 0 3 234.368 3.745 20 0 BHADHN CC[C@H](C)N[C@@H](C)c1nc2ccccc2s1 ZINC000019882677 171346083 /nfs/dbraw/zinc/34/60/83/171346083.db2.gz BHKOSPGJHLIUEH-UWVGGRQHSA-N 0 3 234.368 3.745 20 0 BHADHN CC[C@@H](C)N[C@H](C)c1nc2ccccc2s1 ZINC000019882680 590031781 /nfs/dbraw/zinc/03/17/81/590031781.db2.gz BHKOSPGJHLIUEH-NXEZZACHSA-N 0 3 234.368 3.745 20 0 BHADHN CC[C@H](C)N[C@H](C)c1nc2ccccc2s1 ZINC000019882682 171348333 /nfs/dbraw/zinc/34/83/33/171348333.db2.gz BHKOSPGJHLIUEH-VHSXEESVSA-N 0 3 234.368 3.745 20 0 BHADHN CC(C)CN[C@H](c1ccco1)c1ccccc1 ZINC000019883209 167012081 /nfs/dbraw/zinc/01/20/81/167012081.db2.gz YRHRRTVQOGIFLF-HNNXBMFYSA-N 0 3 229.323 3.615 20 0 BHADHN CC(C)CN[C@@H](c1ccco1)c1ccccc1 ZINC000019883210 167013968 /nfs/dbraw/zinc/01/39/68/167013968.db2.gz YRHRRTVQOGIFLF-OAHLLOKOSA-N 0 3 229.323 3.615 20 0 BHADHN CC(C)CN[C@@H](C)c1nc2ccccc2s1 ZINC000019883211 167011750 /nfs/dbraw/zinc/01/17/50/167011750.db2.gz PGWLLHMAQUYDIG-JTQLQIEISA-N 0 3 234.368 3.603 20 0 BHADHN CC(C)CN[C@H](C)c1nc2ccccc2s1 ZINC000019883212 167013710 /nfs/dbraw/zinc/01/37/10/167013710.db2.gz PGWLLHMAQUYDIG-SNVBAGLBSA-N 0 3 234.368 3.603 20 0 BHADHN C[C@@H](NC1CCCC1)c1ccccc1Cl ZINC000019883408 411067977 /nfs/dbraw/zinc/06/79/77/411067977.db2.gz DMLHQQNQJLIHIO-SNVBAGLBSA-N 0 3 223.747 3.933 20 0 BHADHN C[C@H](NC1CCCC1)c1ccccc1Cl ZINC000019883409 411067101 /nfs/dbraw/zinc/06/71/01/411067101.db2.gz DMLHQQNQJLIHIO-JTQLQIEISA-N 0 3 223.747 3.933 20 0 BHADHN C[C@@H](NC1CCCC1)c1c(F)cccc1F ZINC000019883432 385161197 /nfs/dbraw/zinc/16/11/97/385161197.db2.gz QFVLRQXPQUVBMA-SECBINFHSA-N 0 3 225.282 3.558 20 0 BHADHN C[C@H](NC1CCCC1)c1c(F)cccc1F ZINC000019883434 385162927 /nfs/dbraw/zinc/16/29/27/385162927.db2.gz QFVLRQXPQUVBMA-VIFPVBQESA-N 0 3 225.282 3.558 20 0 BHADHN C[C@@H](NC1CCCC1)c1ccc(F)cc1F ZINC000019883560 385263636 /nfs/dbraw/zinc/26/36/36/385263636.db2.gz YMMZXTMLRJUWGV-SECBINFHSA-N 0 3 225.282 3.558 20 0 BHADHN C[C@H](NC1CCCC1)c1ccc(F)cc1F ZINC000019883562 385263537 /nfs/dbraw/zinc/26/35/37/385263537.db2.gz YMMZXTMLRJUWGV-VIFPVBQESA-N 0 3 225.282 3.558 20 0 BHADHN C[C@@H](NC1CCCC1)c1cc(F)ccc1F ZINC000019883588 385160763 /nfs/dbraw/zinc/16/07/63/385160763.db2.gz QXWOHFJEUFGAAE-SECBINFHSA-N 0 3 225.282 3.558 20 0 BHADHN C[C@H](NC1CCCC1)c1cc(F)ccc1F ZINC000019883589 385162516 /nfs/dbraw/zinc/16/25/16/385162516.db2.gz QXWOHFJEUFGAAE-VIFPVBQESA-N 0 3 225.282 3.558 20 0 BHADHN c1coc([C@@H](NC2CCCC2)c2ccccc2)c1 ZINC000019883594 386788196 /nfs/dbraw/zinc/78/81/96/386788196.db2.gz HDAAMZSHISJLGZ-INIZCTEOSA-N 0 3 241.334 3.901 20 0 BHADHN c1coc([C@H](NC2CCCC2)c2ccccc2)c1 ZINC000019883595 386788171 /nfs/dbraw/zinc/78/81/71/386788171.db2.gz HDAAMZSHISJLGZ-MRXNPFEDSA-N 0 3 241.334 3.901 20 0 BHADHN C[C@@H](NC1CCCC1)c1nc2ccccc2s1 ZINC000019883596 590033038 /nfs/dbraw/zinc/03/30/38/590033038.db2.gz PCJPGDJXJGYTDX-SNVBAGLBSA-N 0 3 246.379 3.890 20 0 BHADHN C[C@H](NC1CCCC1)c1nc2ccccc2s1 ZINC000019883597 590032876 /nfs/dbraw/zinc/03/28/76/590032876.db2.gz PCJPGDJXJGYTDX-JTQLQIEISA-N 0 3 246.379 3.890 20 0 BHADHN CCC(CC)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019883805 259384567 /nfs/dbraw/zinc/38/45/67/259384567.db2.gz FLQJPWSZRTUEOU-GXFFZTMASA-N 0 3 221.344 3.681 20 0 BHADHN CCC(CC)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019883807 259384613 /nfs/dbraw/zinc/38/46/13/259384613.db2.gz FLQJPWSZRTUEOU-GWCFXTLKSA-N 0 3 221.344 3.681 20 0 BHADHN CCC(CC)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019883809 259384407 /nfs/dbraw/zinc/38/44/07/259384407.db2.gz FLQJPWSZRTUEOU-ZWNOBZJWSA-N 0 3 221.344 3.681 20 0 BHADHN CCC(CC)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000019883811 259384564 /nfs/dbraw/zinc/38/45/64/259384564.db2.gz FLQJPWSZRTUEOU-MFKMUULPSA-N 0 3 221.344 3.681 20 0 BHADHN CCC(CC)N[C@@H](C)c1c(F)cccc1F ZINC000019883865 168391933 /nfs/dbraw/zinc/39/19/33/168391933.db2.gz QDRSRLPUJDSBIP-VIFPVBQESA-N 0 3 227.298 3.804 20 0 BHADHN CCC(CC)N[C@H](C)c1c(F)cccc1F ZINC000019883867 168392754 /nfs/dbraw/zinc/39/27/54/168392754.db2.gz QDRSRLPUJDSBIP-SECBINFHSA-N 0 3 227.298 3.804 20 0 BHADHN CCC(CC)N[C@@H](C)c1ccc(F)cc1F ZINC000019883982 168391814 /nfs/dbraw/zinc/39/18/14/168391814.db2.gz XOEIISACBZUXPR-VIFPVBQESA-N 0 3 227.298 3.804 20 0 BHADHN CCC(CC)N[C@H](C)c1ccc(F)cc1F ZINC000019883984 168392213 /nfs/dbraw/zinc/39/22/13/168392213.db2.gz XOEIISACBZUXPR-SECBINFHSA-N 0 3 227.298 3.804 20 0 BHADHN CCC(CC)N[C@@H](C)c1cc(F)ccc1F ZINC000019884006 168391219 /nfs/dbraw/zinc/39/12/19/168391219.db2.gz FSDGOKXWVJBXAQ-VIFPVBQESA-N 0 3 227.298 3.804 20 0 BHADHN CCC(CC)N[C@H](C)c1cc(F)ccc1F ZINC000019884007 168393106 /nfs/dbraw/zinc/39/31/06/168393106.db2.gz FSDGOKXWVJBXAQ-SECBINFHSA-N 0 3 227.298 3.804 20 0 BHADHN Cc1cc(C)c(CNCc2ccccc2)c(C)c1 ZINC000019886006 385174017 /nfs/dbraw/zinc/17/40/17/385174017.db2.gz XDMGWPAVSUEJCJ-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN CC[C@@H](NCc1ccccc1)c1ccccc1 ZINC000019899482 356991766 /nfs/dbraw/zinc/99/17/66/356991766.db2.gz HMZTYIVARCVLPW-MRXNPFEDSA-N 0 3 225.335 3.928 20 0 BHADHN CC[C@H](NCc1ccccc1)c1ccccc1 ZINC000019899483 356991699 /nfs/dbraw/zinc/99/16/99/356991699.db2.gz HMZTYIVARCVLPW-INIZCTEOSA-N 0 3 225.335 3.928 20 0 BHADHN COc1ccccc1[C@@H](C)NCc1ccccc1 ZINC000019899488 175344182 /nfs/dbraw/zinc/34/41/82/175344182.db2.gz CEOSXFUWKWRLEP-CYBMUJFWSA-N 0 3 241.334 3.546 20 0 BHADHN COc1ccccc1[C@H](C)NCc1ccccc1 ZINC000019899489 175351515 /nfs/dbraw/zinc/35/15/15/175351515.db2.gz CEOSXFUWKWRLEP-ZDUSSCGKSA-N 0 3 241.334 3.546 20 0 BHADHN Cc1ccccc1[C@@H](C)NCc1ccccc1 ZINC000019899571 179321611 /nfs/dbraw/zinc/32/16/11/179321611.db2.gz JGTVADONOONXEO-CQSZACIVSA-N 0 3 225.335 3.846 20 0 BHADHN Cc1ccccc1[C@H](C)NCc1ccccc1 ZINC000019899572 179338168 /nfs/dbraw/zinc/33/81/68/179338168.db2.gz JGTVADONOONXEO-AWEZNQCLSA-N 0 3 225.335 3.846 20 0 BHADHN C[C@@H](NCc1ccccc1)c1ccc(F)c(F)c1 ZINC000019899587 347311747 /nfs/dbraw/zinc/31/17/47/347311747.db2.gz QCLHOJZBNTUXRF-LLVKDONJSA-N 0 3 247.288 3.816 20 0 BHADHN C[C@H](NCc1ccccc1)c1ccc(F)c(F)c1 ZINC000019899588 385191967 /nfs/dbraw/zinc/19/19/67/385191967.db2.gz QCLHOJZBNTUXRF-NSHDSACASA-N 0 3 247.288 3.816 20 0 BHADHN C[C@@H](NCc1ccccc1)c1cccc(F)c1 ZINC000019899647 347311866 /nfs/dbraw/zinc/31/18/66/347311866.db2.gz UVHSHXXOMLGZPJ-GFCCVEGCSA-N 0 3 229.298 3.677 20 0 BHADHN C[C@H](NCc1ccccc1)c1cccc(F)c1 ZINC000019899648 385192206 /nfs/dbraw/zinc/19/22/06/385192206.db2.gz UVHSHXXOMLGZPJ-LBPRGKRZSA-N 0 3 229.298 3.677 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccccc2)s1 ZINC000019899665 384551863 /nfs/dbraw/zinc/55/18/63/384551863.db2.gz SJPWLKKHHGTOSJ-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccccc2)s1 ZINC000019899666 384552761 /nfs/dbraw/zinc/55/27/61/384552761.db2.gz SJPWLKKHHGTOSJ-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN CCCCCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019901278 517553984 /nfs/dbraw/zinc/55/39/84/517553984.db2.gz JXJQRWWXALHWOH-WCQYABFASA-N 0 3 221.344 3.683 20 0 BHADHN CCCCCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019901280 347310885 /nfs/dbraw/zinc/31/08/85/347310885.db2.gz JXJQRWWXALHWOH-AAEUAGOBSA-N 0 3 221.344 3.683 20 0 BHADHN CCCCCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019901282 347310678 /nfs/dbraw/zinc/31/06/78/347310678.db2.gz JXJQRWWXALHWOH-DGCLKSJQSA-N 0 3 221.344 3.683 20 0 BHADHN CCCCCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000019901284 259385291 /nfs/dbraw/zinc/38/52/91/259385291.db2.gz JXJQRWWXALHWOH-YPMHNXCESA-N 0 3 221.344 3.683 20 0 BHADHN CCCCCN[C@@H](C)c1c(F)cccc1F ZINC000019901338 347311074 /nfs/dbraw/zinc/31/10/74/347311074.db2.gz GZYRTYXMTZDLPK-JTQLQIEISA-N 0 3 227.298 3.806 20 0 BHADHN CCCCCN[C@H](C)c1c(F)cccc1F ZINC000019901340 347311069 /nfs/dbraw/zinc/31/10/69/347311069.db2.gz GZYRTYXMTZDLPK-SNVBAGLBSA-N 0 3 227.298 3.806 20 0 BHADHN CCCCCN[C@@H](C)c1ccccc1F ZINC000019901353 347376806 /nfs/dbraw/zinc/37/68/06/347376806.db2.gz UZTJXJNXTZSTOW-NSHDSACASA-N 0 3 209.308 3.667 20 0 BHADHN CCCCCN[C@H](C)c1ccccc1F ZINC000019901355 347377037 /nfs/dbraw/zinc/37/70/37/347377037.db2.gz UZTJXJNXTZSTOW-LLVKDONJSA-N 0 3 209.308 3.667 20 0 BHADHN CCCCCN[C@@H](C)c1ccc(F)cc1F ZINC000019901450 347311751 /nfs/dbraw/zinc/31/17/51/347311751.db2.gz OUZQADMHCIRBJD-JTQLQIEISA-N 0 3 227.298 3.806 20 0 BHADHN CCCCCN[C@H](C)c1ccc(F)cc1F ZINC000019901452 347311890 /nfs/dbraw/zinc/31/18/90/347311890.db2.gz OUZQADMHCIRBJD-SNVBAGLBSA-N 0 3 227.298 3.806 20 0 BHADHN CCCCCN[C@@H](C)c1cc(F)ccc1F ZINC000019901472 347311606 /nfs/dbraw/zinc/31/16/06/347311606.db2.gz KXLVBLDMLYPDBL-JTQLQIEISA-N 0 3 227.298 3.806 20 0 BHADHN CCCCCN[C@H](C)c1cc(F)ccc1F ZINC000019901474 347311836 /nfs/dbraw/zinc/31/18/36/347311836.db2.gz KXLVBLDMLYPDBL-SNVBAGLBSA-N 0 3 227.298 3.806 20 0 BHADHN CCCCCNCc1ccccc1OC(F)F ZINC000019901511 356485927 /nfs/dbraw/zinc/48/59/27/356485927.db2.gz JCVIEWPRPOYGES-UHFFFAOYSA-N 0 3 243.297 3.568 20 0 BHADHN CCC[C@H](C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019902650 357120087 /nfs/dbraw/zinc/12/00/87/357120087.db2.gz CBJANFNHGUWHQQ-GMXVVIOVSA-N 0 3 221.344 3.681 20 0 BHADHN CCC[C@H](C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019902652 357120074 /nfs/dbraw/zinc/12/00/74/357120074.db2.gz CBJANFNHGUWHQQ-GVXVVHGQSA-N 0 3 221.344 3.681 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000019902759 169370743 /nfs/dbraw/zinc/37/07/43/169370743.db2.gz AQWZQMSFGCCSLB-ZJUUUORDSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000019902760 385188942 /nfs/dbraw/zinc/18/89/42/385188942.db2.gz AQWZQMSFGCCSLB-UWVGGRQHSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1c(F)cccc1F ZINC000019902761 169371181 /nfs/dbraw/zinc/37/11/81/169371181.db2.gz AQWZQMSFGCCSLB-NXEZZACHSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1c(F)cccc1F ZINC000019902763 385187389 /nfs/dbraw/zinc/18/73/89/385187389.db2.gz AQWZQMSFGCCSLB-VHSXEESVSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000019902969 169370287 /nfs/dbraw/zinc/37/02/87/169370287.db2.gz HAVCFVYYSAYNHI-ZJUUUORDSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000019902970 385188636 /nfs/dbraw/zinc/18/86/36/385188636.db2.gz HAVCFVYYSAYNHI-UWVGGRQHSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000019902971 169371192 /nfs/dbraw/zinc/37/11/92/169371192.db2.gz HAVCFVYYSAYNHI-NXEZZACHSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000019902972 385188801 /nfs/dbraw/zinc/18/88/01/385188801.db2.gz HAVCFVYYSAYNHI-VHSXEESVSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000019902999 169370848 /nfs/dbraw/zinc/37/08/48/169370848.db2.gz MBQNIAHTOOFWIK-ZJUUUORDSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000019903000 169493821 /nfs/dbraw/zinc/49/38/21/169493821.db2.gz MBQNIAHTOOFWIK-UWVGGRQHSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000019903001 169371744 /nfs/dbraw/zinc/37/17/44/169371744.db2.gz MBQNIAHTOOFWIK-NXEZZACHSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000019903002 538929401 /nfs/dbraw/zinc/92/94/01/538929401.db2.gz MBQNIAHTOOFWIK-VHSXEESVSA-N 0 3 227.298 3.804 20 0 BHADHN Cc1ccc([C@@H](C)NCCc2ccc(F)cc2)o1 ZINC000019904098 385185420 /nfs/dbraw/zinc/18/54/20/385185420.db2.gz DXJHVYUUCBZWSD-GFCCVEGCSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1ccc([C@H](C)NCCc2ccc(F)cc2)o1 ZINC000019904099 385185525 /nfs/dbraw/zinc/18/55/25/385185525.db2.gz DXJHVYUUCBZWSD-LBPRGKRZSA-N 0 3 247.313 3.620 20 0 BHADHN CCCCN[C@@H](C)c1ccccc1Cl ZINC000019906970 385359682 /nfs/dbraw/zinc/35/96/82/385359682.db2.gz NHKAEJZYACHTKI-JTQLQIEISA-N 0 3 211.736 3.791 20 0 BHADHN CCCCN[C@H](C)c1ccccc1Cl ZINC000019906971 385360226 /nfs/dbraw/zinc/36/02/26/385360226.db2.gz NHKAEJZYACHTKI-SNVBAGLBSA-N 0 3 211.736 3.791 20 0 BHADHN CCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000019906978 384556144 /nfs/dbraw/zinc/55/61/44/384556144.db2.gz HUXYOMMMGSKCCI-INIZCTEOSA-N 0 3 240.350 3.561 20 0 BHADHN CCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000019906979 384556228 /nfs/dbraw/zinc/55/62/28/384556228.db2.gz HUXYOMMMGSKCCI-MRXNPFEDSA-N 0 3 240.350 3.561 20 0 BHADHN CCCCN[C@H](c1ccco1)c1ccccc1 ZINC000019907104 590042745 /nfs/dbraw/zinc/04/27/45/590042745.db2.gz AFFNJYSHQNVDBW-HNNXBMFYSA-N 0 3 229.323 3.759 20 0 BHADHN CCCCN[C@@H](c1ccco1)c1ccccc1 ZINC000019907105 590043052 /nfs/dbraw/zinc/04/30/52/590043052.db2.gz AFFNJYSHQNVDBW-OAHLLOKOSA-N 0 3 229.323 3.759 20 0 BHADHN CCCCN[C@@H](C)c1nc2ccccc2s1 ZINC000019907106 590042920 /nfs/dbraw/zinc/04/29/20/590042920.db2.gz UKGDTYWXTNPBTD-JTQLQIEISA-N 0 3 234.368 3.747 20 0 BHADHN CCCCN[C@H](C)c1nc2ccccc2s1 ZINC000019907107 590043014 /nfs/dbraw/zinc/04/30/14/590043014.db2.gz UKGDTYWXTNPBTD-SNVBAGLBSA-N 0 3 234.368 3.747 20 0 BHADHN CCC[C@@H](C)NCc1ccccc1Cl ZINC000019908376 169370514 /nfs/dbraw/zinc/37/05/14/169370514.db2.gz RWMCIIVWUXGVIZ-SNVBAGLBSA-N 0 3 211.736 3.618 20 0 BHADHN CCC[C@H](C)NCc1ccccc1Cl ZINC000019908379 169493761 /nfs/dbraw/zinc/49/37/61/169493761.db2.gz RWMCIIVWUXGVIZ-JTQLQIEISA-N 0 3 211.736 3.618 20 0 BHADHN COc1ccc(CN[C@@H](C)c2cccs2)cc1 ZINC000019909064 384556778 /nfs/dbraw/zinc/55/67/78/384556778.db2.gz ZKTBHVZQVDYHOW-NSHDSACASA-N 0 3 247.363 3.608 20 0 BHADHN COc1ccc(CN[C@H](C)c2cccs2)cc1 ZINC000019909066 175111622 /nfs/dbraw/zinc/11/16/22/175111622.db2.gz ZKTBHVZQVDYHOW-LLVKDONJSA-N 0 3 247.363 3.608 20 0 BHADHN CC(C)CCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019911879 259385873 /nfs/dbraw/zinc/38/58/73/259385873.db2.gz SXPZKCMDKZCOGM-WCQYABFASA-N 0 3 221.344 3.539 20 0 BHADHN CC(C)CCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019911881 259385765 /nfs/dbraw/zinc/38/57/65/259385765.db2.gz SXPZKCMDKZCOGM-AAEUAGOBSA-N 0 3 221.344 3.539 20 0 BHADHN CC(C)CCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019911883 259385969 /nfs/dbraw/zinc/38/59/69/259385969.db2.gz SXPZKCMDKZCOGM-DGCLKSJQSA-N 0 3 221.344 3.539 20 0 BHADHN CC(C)CCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000019911885 259386043 /nfs/dbraw/zinc/38/60/43/259386043.db2.gz SXPZKCMDKZCOGM-YPMHNXCESA-N 0 3 221.344 3.539 20 0 BHADHN CC(C)CCN[C@@H](C)c1c(F)cccc1F ZINC000019911946 385201255 /nfs/dbraw/zinc/20/12/55/385201255.db2.gz KGLKXRSPAIQDKW-JTQLQIEISA-N 0 3 227.298 3.662 20 0 BHADHN CC(C)CCN[C@H](C)c1c(F)cccc1F ZINC000019911948 385204198 /nfs/dbraw/zinc/20/41/98/385204198.db2.gz KGLKXRSPAIQDKW-SNVBAGLBSA-N 0 3 227.298 3.662 20 0 BHADHN CC(C)CCN[C@@H](C)c1ccccc1F ZINC000019911970 385365472 /nfs/dbraw/zinc/36/54/72/385365472.db2.gz ITGHQSCOACHDOR-NSHDSACASA-N 0 3 209.308 3.522 20 0 BHADHN CC(C)CCN[C@H](C)c1ccccc1F ZINC000019911971 385363950 /nfs/dbraw/zinc/36/39/50/385363950.db2.gz ITGHQSCOACHDOR-LLVKDONJSA-N 0 3 209.308 3.522 20 0 BHADHN CC(C)CCN[C@@H](C)c1ccc(F)cc1F ZINC000019912077 385203875 /nfs/dbraw/zinc/20/38/75/385203875.db2.gz BGNBUGVFASZXKC-JTQLQIEISA-N 0 3 227.298 3.662 20 0 BHADHN CC(C)CCN[C@H](C)c1ccc(F)cc1F ZINC000019912078 385202578 /nfs/dbraw/zinc/20/25/78/385202578.db2.gz BGNBUGVFASZXKC-SNVBAGLBSA-N 0 3 227.298 3.662 20 0 BHADHN CC(C)CCN[C@@H](C)c1cc(F)ccc1F ZINC000019912096 385202402 /nfs/dbraw/zinc/20/24/02/385202402.db2.gz KEBJWJAHMIVTQM-JTQLQIEISA-N 0 3 227.298 3.662 20 0 BHADHN CC(C)CCN[C@H](C)c1cc(F)ccc1F ZINC000019912097 385201637 /nfs/dbraw/zinc/20/16/37/385201637.db2.gz KEBJWJAHMIVTQM-SNVBAGLBSA-N 0 3 227.298 3.662 20 0 BHADHN CC(C)CCN[C@@H](C)c1nc2ccccc2s1 ZINC000019912104 590043965 /nfs/dbraw/zinc/04/39/65/590043965.db2.gz MPEDGZBYHHHMOH-NSHDSACASA-N 0 3 248.395 3.993 20 0 BHADHN CC(C)CCN[C@H](C)c1nc2ccccc2s1 ZINC000019912106 590043923 /nfs/dbraw/zinc/04/39/23/590043923.db2.gz MPEDGZBYHHHMOH-LLVKDONJSA-N 0 3 248.395 3.993 20 0 BHADHN Cc1ccc([C@@H](C)NCCc2ccccc2F)o1 ZINC000019912724 590044032 /nfs/dbraw/zinc/04/40/32/590044032.db2.gz MTQANZGOFOSMGB-GFCCVEGCSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1ccc([C@H](C)NCCc2ccccc2F)o1 ZINC000019912726 590044060 /nfs/dbraw/zinc/04/40/60/590044060.db2.gz MTQANZGOFOSMGB-LBPRGKRZSA-N 0 3 247.313 3.620 20 0 BHADHN CC1CCC(NCc2ccc(F)cc2F)CC1 ZINC000019917777 168164038 /nfs/dbraw/zinc/16/40/38/168164038.db2.gz MKORCRJNMDLVHR-UHFFFAOYSA-N 0 3 239.309 3.633 20 0 BHADHN CC1CCC(NCc2c(F)cccc2F)CC1 ZINC000019917793 168164455 /nfs/dbraw/zinc/16/44/55/168164455.db2.gz UWLSXTUWAASFDQ-UHFFFAOYSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H](NCCc1ccccc1)c1ccccc1F ZINC000019919841 385203917 /nfs/dbraw/zinc/20/39/17/385203917.db2.gz HAXWIRSUPGSFHZ-CYBMUJFWSA-N 0 3 243.325 3.719 20 0 BHADHN C[C@H](NCCc1ccccc1)c1ccccc1F ZINC000019919843 385202367 /nfs/dbraw/zinc/20/23/67/385202367.db2.gz HAXWIRSUPGSFHZ-ZDUSSCGKSA-N 0 3 243.325 3.719 20 0 BHADHN Cc1ccc(CNCc2ccc(F)cc2)c(C)c1 ZINC000019943384 643053024 /nfs/dbraw/zinc/05/30/24/643053024.db2.gz BDMHMDSHOBZRLU-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccc(F)cc2)cc1 ZINC000019943556 643052258 /nfs/dbraw/zinc/05/22/58/643052258.db2.gz RQNAFENWMFGCHG-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccc(F)cc2)cc1 ZINC000019943558 643051891 /nfs/dbraw/zinc/05/18/91/643051891.db2.gz RQNAFENWMFGCHG-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN C[C@@H](NCc1ccc(F)cc1)c1cccs1 ZINC000019943668 385225877 /nfs/dbraw/zinc/22/58/77/385225877.db2.gz NUXYUJWVOORBDB-SNVBAGLBSA-N 0 3 235.327 3.738 20 0 BHADHN C[C@H](NCc1ccc(F)cc1)c1cccs1 ZINC000019943670 385226568 /nfs/dbraw/zinc/22/65/68/385226568.db2.gz NUXYUJWVOORBDB-JTQLQIEISA-N 0 3 235.327 3.738 20 0 BHADHN C[C@@H](NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000019943701 385225358 /nfs/dbraw/zinc/22/53/58/385225358.db2.gz JICZVSFCLOUXNT-LLVKDONJSA-N 0 3 247.288 3.816 20 0 BHADHN C[C@H](NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000019943705 385225222 /nfs/dbraw/zinc/22/52/22/385225222.db2.gz JICZVSFCLOUXNT-NSHDSACASA-N 0 3 247.288 3.816 20 0 BHADHN Fc1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000019943755 342964003 /nfs/dbraw/zinc/96/40/03/342964003.db2.gz IFDBOTITTSBLLK-MRXNPFEDSA-N 0 3 241.309 3.603 20 0 BHADHN Cc1ccccc1[C@@H](C)NCc1ccc(F)cc1 ZINC000019943866 179321629 /nfs/dbraw/zinc/32/16/29/179321629.db2.gz HHIWYVZYRRWLBX-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccccc1[C@H](C)NCc1ccc(F)cc1 ZINC000019943868 179338600 /nfs/dbraw/zinc/33/86/00/179338600.db2.gz HHIWYVZYRRWLBX-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN C[C@@H](NCc1ccc(F)cc1)c1cccc(F)c1 ZINC000019944025 385224988 /nfs/dbraw/zinc/22/49/88/385224988.db2.gz CKOUUXXHKZAXLN-LLVKDONJSA-N 0 3 247.288 3.816 20 0 BHADHN C[C@H](NCc1ccc(F)cc1)c1cccc(F)c1 ZINC000019944026 385224482 /nfs/dbraw/zinc/22/44/82/385224482.db2.gz CKOUUXXHKZAXLN-NSHDSACASA-N 0 3 247.288 3.816 20 0 BHADHN C[C@@H]1CCCC[C@@H]1NCc1c(F)cccc1F ZINC000019944960 176080688 /nfs/dbraw/zinc/08/06/88/176080688.db2.gz UUMUAMPZTFZUGE-YGRLFVJLSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CCCC[C@@H]1NCc1c(F)cccc1F ZINC000019944964 177082533 /nfs/dbraw/zinc/08/25/33/177082533.db2.gz UUMUAMPZTFZUGE-HZMBPMFUSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H]1CCCC[C@H]1NCc1c(F)cccc1F ZINC000019944967 176088238 /nfs/dbraw/zinc/08/82/38/176088238.db2.gz UUMUAMPZTFZUGE-QMTHXVAHSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CCCC[C@H]1NCc1c(F)cccc1F ZINC000019944970 177088951 /nfs/dbraw/zinc/08/89/51/177088951.db2.gz UUMUAMPZTFZUGE-IINYFYTJSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H](NCCc1cccs1)c1ccccc1F ZINC000019948892 385229424 /nfs/dbraw/zinc/22/94/24/385229424.db2.gz RNNMJNMVPKSMSW-LLVKDONJSA-N 0 3 249.354 3.781 20 0 BHADHN C[C@H](NCCc1cccs1)c1ccccc1F ZINC000019948896 176854397 /nfs/dbraw/zinc/85/43/97/176854397.db2.gz RNNMJNMVPKSMSW-NSHDSACASA-N 0 3 249.354 3.781 20 0 BHADHN Cc1ccc([C@@H](C)NCCc2cccs2)o1 ZINC000019948970 384563795 /nfs/dbraw/zinc/56/37/95/384563795.db2.gz BQYYOLKYRBRTID-LLVKDONJSA-N 0 3 235.352 3.543 20 0 BHADHN Cc1ccc([C@H](C)NCCc2cccs2)o1 ZINC000019948976 384562194 /nfs/dbraw/zinc/56/21/94/384562194.db2.gz BQYYOLKYRBRTID-NSHDSACASA-N 0 3 235.352 3.543 20 0 BHADHN CC(C)CC[C@@H](C)NCc1ccccc1F ZINC000019950530 385231900 /nfs/dbraw/zinc/23/19/00/385231900.db2.gz KILKSALUTDHALI-GFCCVEGCSA-N 0 3 223.335 3.740 20 0 BHADHN CC(C)CC[C@H](C)NCc1ccccc1F ZINC000019950534 166905338 /nfs/dbraw/zinc/90/53/38/166905338.db2.gz KILKSALUTDHALI-LBPRGKRZSA-N 0 3 223.335 3.740 20 0 BHADHN CC[C@@H](NCc1ccccn1)c1ccc(C)cc1 ZINC000019957715 590055336 /nfs/dbraw/zinc/05/53/36/590055336.db2.gz CFGDCQDTNRELAA-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@H](NCc1ccccn1)c1ccc(C)cc1 ZINC000019957718 590055002 /nfs/dbraw/zinc/05/50/02/590055002.db2.gz CFGDCQDTNRELAA-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN Cc1ccc(CNCc2ccc(C)cc2C)cc1 ZINC000019962325 385237151 /nfs/dbraw/zinc/23/71/51/385237151.db2.gz XYZZWPALJOVVTL-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000019962347 385235685 /nfs/dbraw/zinc/23/56/85/385235685.db2.gz GNFSNQZICPQPKK-UHFFFAOYSA-N 0 3 247.288 3.563 20 0 BHADHN Cc1ccc(CN[C@H](C)c2cccs2)cc1 ZINC000019962454 342965319 /nfs/dbraw/zinc/96/53/19/342965319.db2.gz RGQYUYKKDXSXHM-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2cccs2)cc1 ZINC000019962456 342965336 /nfs/dbraw/zinc/96/53/36/342965336.db2.gz RGQYUYKKDXSXHM-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccc(CN[C@H](C)c2ccc(F)cc2)cc1 ZINC000019962468 178629822 /nfs/dbraw/zinc/62/98/22/178629822.db2.gz WPITYHKSVLFNNL-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1 ZINC000019962470 385236441 /nfs/dbraw/zinc/23/64/41/385236441.db2.gz WPITYHKSVLFNNL-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccc(CN[C@H](C)c2cccc(O)c2)cc1 ZINC000019962569 342965346 /nfs/dbraw/zinc/96/53/46/342965346.db2.gz KFFYLYANEGXIHB-CYBMUJFWSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 ZINC000019962571 342965344 /nfs/dbraw/zinc/96/53/44/342965344.db2.gz KFFYLYANEGXIHB-ZDUSSCGKSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1ccc(CN[C@H](C)c2cccc(F)c2)cc1 ZINC000019962692 385235666 /nfs/dbraw/zinc/23/56/66/385235666.db2.gz QMUWUKPHPJOFQA-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2cccc(F)c2)cc1 ZINC000019962694 385235085 /nfs/dbraw/zinc/23/50/85/385235085.db2.gz QMUWUKPHPJOFQA-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN CCOCCCN[C@@H](C)c1cc2ccccc2o1 ZINC000019963085 170381909 /nfs/dbraw/zinc/38/19/09/170381909.db2.gz AGJVPHDTYGBDHO-LBPRGKRZSA-N 0 3 247.338 3.510 20 0 BHADHN CCOCCCN[C@H](C)c1cc2ccccc2o1 ZINC000019963086 170382259 /nfs/dbraw/zinc/38/22/59/170382259.db2.gz AGJVPHDTYGBDHO-GFCCVEGCSA-N 0 3 247.338 3.510 20 0 BHADHN CC(C)CCCCCCNCc1ccccn1 ZINC000019989800 590064769 /nfs/dbraw/zinc/06/47/69/590064769.db2.gz CVGLKCKXUPMQIT-UHFFFAOYSA-N 0 3 234.387 3.778 20 0 BHADHN CCCC[C@@H](CC)CNCc1ccc(C)o1 ZINC000019989815 259386691 /nfs/dbraw/zinc/38/66/91/259386691.db2.gz DUDRCRPBVFUBEI-CYBMUJFWSA-N 0 3 223.360 3.894 20 0 BHADHN CCCC[C@H](CC)CNCc1ccc(C)o1 ZINC000019989818 259386922 /nfs/dbraw/zinc/38/69/22/259386922.db2.gz DUDRCRPBVFUBEI-ZDUSSCGKSA-N 0 3 223.360 3.894 20 0 BHADHN CC(C)CC[C@@H](C)NCc1ccc(F)cc1F ZINC000019997881 371215473 /nfs/dbraw/zinc/21/54/73/371215473.db2.gz JXSHVFCTJPISTF-LLVKDONJSA-N 0 3 241.325 3.879 20 0 BHADHN CC(C)CC[C@H](C)NCc1ccc(F)cc1F ZINC000019997883 371215352 /nfs/dbraw/zinc/21/53/52/371215352.db2.gz JXSHVFCTJPISTF-NSHDSACASA-N 0 3 241.325 3.879 20 0 BHADHN CCCC[C@@H](CC)CNCc1ccco1 ZINC000020000988 521035920 /nfs/dbraw/zinc/03/59/20/521035920.db2.gz NTWWFXFNHUFKIC-GFCCVEGCSA-N 0 3 209.333 3.586 20 0 BHADHN CCCC[C@H](CC)CNCc1ccco1 ZINC000020000991 521179613 /nfs/dbraw/zinc/17/96/13/521179613.db2.gz NTWWFXFNHUFKIC-LBPRGKRZSA-N 0 3 209.333 3.586 20 0 BHADHN CCCCCCN[C@@H](C)c1ccc(C)o1 ZINC000020017391 520093559 /nfs/dbraw/zinc/09/35/59/520093559.db2.gz QCPZWHLGVCMFAH-LBPRGKRZSA-N 0 3 209.333 3.819 20 0 BHADHN CCCCCCN[C@H](C)c1ccc(C)o1 ZINC000020017394 520094067 /nfs/dbraw/zinc/09/40/67/520094067.db2.gz QCPZWHLGVCMFAH-GFCCVEGCSA-N 0 3 209.333 3.819 20 0 BHADHN CCC(C)(C)NCc1ccc(F)cc1Cl ZINC000020035983 168298846 /nfs/dbraw/zinc/29/88/46/168298846.db2.gz RIHYHSPFVYYWRT-UHFFFAOYSA-N 0 3 229.726 3.757 20 0 BHADHN CCC(CC)NCc1ccc(F)cc1Cl ZINC000020037240 168390231 /nfs/dbraw/zinc/39/02/31/168390231.db2.gz BUIWSURUDLEVFR-UHFFFAOYSA-N 0 3 229.726 3.757 20 0 BHADHN Clc1ccc(CNCc2ccccc2)s1 ZINC000020038390 347339779 /nfs/dbraw/zinc/33/97/79/347339779.db2.gz RYQUNKOONCCMHG-UHFFFAOYSA-N 0 3 237.755 3.691 20 0 BHADHN CCc1ccc(CNCc2ccccc2)s1 ZINC000020038412 384570133 /nfs/dbraw/zinc/57/01/33/384570133.db2.gz CZFRERFPPCCDSK-UHFFFAOYSA-N 0 3 231.364 3.600 20 0 BHADHN CCCCCNCc1ccc(F)cc1Cl ZINC000020039696 347340918 /nfs/dbraw/zinc/34/09/18/347340918.db2.gz YVLMPMVMDXGVBZ-UHFFFAOYSA-N 0 3 229.726 3.759 20 0 BHADHN CCC[C@@H](C)NCc1ccc(F)cc1Cl ZINC000020040569 169370291 /nfs/dbraw/zinc/37/02/91/169370291.db2.gz AWOVWNAKNGZILZ-SECBINFHSA-N 0 3 229.726 3.757 20 0 BHADHN CCC[C@H](C)NCc1ccc(F)cc1Cl ZINC000020040571 538930287 /nfs/dbraw/zinc/93/02/87/538930287.db2.gz AWOVWNAKNGZILZ-VIFPVBQESA-N 0 3 229.726 3.757 20 0 BHADHN CC(C)CCNCc1ccc(F)cc1Cl ZINC000020047111 385282154 /nfs/dbraw/zinc/28/21/54/385282154.db2.gz DSNGEZLVVLVCCE-UHFFFAOYSA-N 0 3 229.726 3.615 20 0 BHADHN CCc1ccc(CNCc2ccc(F)cc2)s1 ZINC000020052368 384569254 /nfs/dbraw/zinc/56/92/54/384569254.db2.gz QHBZHGIDLOQFLW-UHFFFAOYSA-N 0 3 249.354 3.739 20 0 BHADHN Fc1ccccc1CNCCCc1ccccc1 ZINC000020053090 323084422 /nfs/dbraw/zinc/08/44/22/323084422.db2.gz IAKWFMGUIXAZKP-UHFFFAOYSA-N 0 3 243.325 3.548 20 0 BHADHN Cc1nc([C@@H](C)NC2CCCCC2)c(C)s1 ZINC000020085392 180036108 /nfs/dbraw/zinc/03/61/08/180036108.db2.gz HXGMRYAMHPCIHM-SECBINFHSA-N 0 3 238.400 3.743 20 0 BHADHN Cc1nc([C@H](C)NC2CCCCC2)c(C)s1 ZINC000020085393 180048749 /nfs/dbraw/zinc/04/87/49/180048749.db2.gz HXGMRYAMHPCIHM-VIFPVBQESA-N 0 3 238.400 3.743 20 0 BHADHN Fc1ccc(-c2ccc(CNCC3CC3)o2)cc1 ZINC000020086194 259388328 /nfs/dbraw/zinc/38/83/28/259388328.db2.gz RYUCXFIKFLZLQS-UHFFFAOYSA-N 0 3 245.297 3.585 20 0 BHADHN c1c2ccccc2oc1CNCc1ccccc1 ZINC000020086566 387072587 /nfs/dbraw/zinc/07/25/87/387072587.db2.gz IKILGMVIFVONMO-UHFFFAOYSA-N 0 3 237.302 3.723 20 0 BHADHN c1ccc(CNCc2cccc3cccnc32)cc1 ZINC000020086570 385412911 /nfs/dbraw/zinc/41/29/11/385412911.db2.gz OKHSZDQBLOGAGC-UHFFFAOYSA-N 0 3 248.329 3.525 20 0 BHADHN CC[C@@H](NCc1ccccc1)c1cccs1 ZINC000020086599 590072913 /nfs/dbraw/zinc/07/29/13/590072913.db2.gz SRWSVIAJBKBVDA-CYBMUJFWSA-N 0 3 231.364 3.989 20 0 BHADHN CC[C@H](NCc1ccccc1)c1cccs1 ZINC000020086601 590073191 /nfs/dbraw/zinc/07/31/91/590073191.db2.gz SRWSVIAJBKBVDA-ZDUSSCGKSA-N 0 3 231.364 3.989 20 0 BHADHN CCCCCN[C@@H](C)c1nc(C)sc1C ZINC000020086807 537799502 /nfs/dbraw/zinc/79/95/02/537799502.db2.gz KXYOPULMIHJNPD-VIFPVBQESA-N 0 3 226.389 3.601 20 0 BHADHN CCCCCN[C@H](C)c1nc(C)sc1C ZINC000020086809 538930541 /nfs/dbraw/zinc/93/05/41/538930541.db2.gz KXYOPULMIHJNPD-SECBINFHSA-N 0 3 226.389 3.601 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1nc(C)sc1C ZINC000020087168 538930524 /nfs/dbraw/zinc/93/05/24/538930524.db2.gz NVCGVPVCRBWCMZ-BDAKNGLRSA-N 0 3 226.389 3.599 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1nc(C)sc1C ZINC000020087170 538930484 /nfs/dbraw/zinc/93/04/84/538930484.db2.gz NVCGVPVCRBWCMZ-IUCAKERBSA-N 0 3 226.389 3.599 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1nc(C)sc1C ZINC000020087172 538930527 /nfs/dbraw/zinc/93/05/27/538930527.db2.gz NVCGVPVCRBWCMZ-RKDXNWHRSA-N 0 3 226.389 3.599 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1nc(C)sc1C ZINC000020087174 538930430 /nfs/dbraw/zinc/93/04/30/538930430.db2.gz NVCGVPVCRBWCMZ-DTWKUNHWSA-N 0 3 226.389 3.599 20 0 BHADHN C[C@@H](NCCC1=CCCCC1)c1ccccn1 ZINC000020093663 384573810 /nfs/dbraw/zinc/57/38/10/384573810.db2.gz UTZNXGDEKIBZNO-CYBMUJFWSA-N 0 3 230.355 3.623 20 0 BHADHN C[C@H](NCCC1=CCCCC1)c1ccccn1 ZINC000020093665 384575067 /nfs/dbraw/zinc/57/50/67/384575067.db2.gz UTZNXGDEKIBZNO-ZDUSSCGKSA-N 0 3 230.355 3.623 20 0 BHADHN C[C@@H](NCCC1=CCCCC1)c1ccco1 ZINC000020093683 259388396 /nfs/dbraw/zinc/38/83/96/259388396.db2.gz ZMGNTFOQOUMYKE-GFCCVEGCSA-N 0 3 219.328 3.821 20 0 BHADHN C[C@H](NCCC1=CCCCC1)c1ccco1 ZINC000020093685 259388135 /nfs/dbraw/zinc/38/81/35/259388135.db2.gz ZMGNTFOQOUMYKE-LBPRGKRZSA-N 0 3 219.328 3.821 20 0 BHADHN C[C@@H](NCc1cccc(F)c1)c1ccc(F)cc1 ZINC000020095330 385300563 /nfs/dbraw/zinc/30/05/63/385300563.db2.gz WGBMBGQABYITQK-LLVKDONJSA-N 0 3 247.288 3.816 20 0 BHADHN C[C@H](NCc1cccc(F)c1)c1ccc(F)cc1 ZINC000020095332 385300234 /nfs/dbraw/zinc/30/02/34/385300234.db2.gz WGBMBGQABYITQK-NSHDSACASA-N 0 3 247.288 3.816 20 0 BHADHN Cc1ccccc1CN[C@H](C)c1ccc(F)cc1 ZINC000020095333 179284746 /nfs/dbraw/zinc/28/47/46/179284746.db2.gz LNDDVJZWZFSMPN-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccccc1CN[C@@H](C)c1ccc(F)cc1 ZINC000020095335 179282232 /nfs/dbraw/zinc/28/22/32/179282232.db2.gz LNDDVJZWZFSMPN-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1cccc(CN[C@H](C)c2ccc(F)cc2)c1 ZINC000020095340 179099510 /nfs/dbraw/zinc/09/95/10/179099510.db2.gz PAUVCXZSCNLUOS-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1cccc(CN[C@@H](C)c2ccc(F)cc2)c1 ZINC000020095342 179097207 /nfs/dbraw/zinc/09/72/07/179097207.db2.gz PAUVCXZSCNLUOS-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN C[C@@H](NCc1cccs1)c1ccc(F)cc1 ZINC000020095372 347349800 /nfs/dbraw/zinc/34/98/00/347349800.db2.gz YQSGFVKCCQCYBC-SNVBAGLBSA-N 0 3 235.327 3.738 20 0 BHADHN C[C@H](NCc1cccs1)c1ccc(F)cc1 ZINC000020095374 385299878 /nfs/dbraw/zinc/29/98/78/385299878.db2.gz YQSGFVKCCQCYBC-JTQLQIEISA-N 0 3 235.327 3.738 20 0 BHADHN C[C@@H](NCc1ccsc1)c1ccc(F)cc1 ZINC000020095387 356997522 /nfs/dbraw/zinc/99/75/22/356997522.db2.gz FWDCWLAJXMRTDH-SNVBAGLBSA-N 0 3 235.327 3.738 20 0 BHADHN C[C@H](NCc1ccsc1)c1ccc(F)cc1 ZINC000020095389 387071502 /nfs/dbraw/zinc/07/15/02/387071502.db2.gz FWDCWLAJXMRTDH-JTQLQIEISA-N 0 3 235.327 3.738 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000020095509 342969146 /nfs/dbraw/zinc/96/91/46/342969146.db2.gz AHRSTYBHITWVMD-NEPJUHHUSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@H](N[C@@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000020095511 384575329 /nfs/dbraw/zinc/57/53/29/384575329.db2.gz AHRSTYBHITWVMD-RYUDHWBXSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@@H](N[C@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000020095513 342969128 /nfs/dbraw/zinc/96/91/28/342969128.db2.gz AHRSTYBHITWVMD-VXGBXAGGSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccc(F)cc1)c1cccnc1 ZINC000020095515 342969305 /nfs/dbraw/zinc/96/93/05/342969305.db2.gz AHRSTYBHITWVMD-NWDGAFQWSA-N 0 3 244.313 3.633 20 0 BHADHN Cc1ccc(CN[C@H](C)c2ccncc2)c(C)c1 ZINC000020120930 342969754 /nfs/dbraw/zinc/96/97/54/342969754.db2.gz OCRXCPWHDBTTGB-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2ccncc2)c(C)c1 ZINC000020120932 342969735 /nfs/dbraw/zinc/96/97/35/342969735.db2.gz OCRXCPWHDBTTGB-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)c2ccncc2)cc1 ZINC000020121184 384577347 /nfs/dbraw/zinc/57/73/47/384577347.db2.gz ODVKDLGVKJUOIK-UONOGXRCSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H](C)c2ccncc2)cc1 ZINC000020121185 342969842 /nfs/dbraw/zinc/96/98/42/342969842.db2.gz ODVKDLGVKJUOIK-KBPBESRZSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)c2ccncc2)cc1 ZINC000020121186 384577194 /nfs/dbraw/zinc/57/71/94/384577194.db2.gz ODVKDLGVKJUOIK-ZIAGYGMSSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccncc2)cc1 ZINC000020121187 384578955 /nfs/dbraw/zinc/57/89/55/384578955.db2.gz ODVKDLGVKJUOIK-KGLIPLIRSA-N 0 3 240.350 3.802 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccncc1)c1ccccc1 ZINC000020121188 342969859 /nfs/dbraw/zinc/96/98/59/342969859.db2.gz XFKJBNQBIDIVJJ-XJKSGUPXSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccncc1)c1ccccc1 ZINC000020121189 342969840 /nfs/dbraw/zinc/96/98/40/342969840.db2.gz XFKJBNQBIDIVJJ-BBRMVZONSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccncc1)c1ccccc1 ZINC000020121190 342969833 /nfs/dbraw/zinc/96/98/33/342969833.db2.gz XFKJBNQBIDIVJJ-CZUORRHYSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@H](N[C@H](C)c1ccncc1)c1ccccc1 ZINC000020121191 342969645 /nfs/dbraw/zinc/96/96/45/342969645.db2.gz XFKJBNQBIDIVJJ-CJNGLKHVSA-N 0 3 240.350 3.884 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccs1)c1ccncc1 ZINC000020121230 342969743 /nfs/dbraw/zinc/96/97/43/342969743.db2.gz CBXGBLIELVJTFW-MNOVXSKESA-N 0 3 232.352 3.555 20 0 BHADHN C[C@H](N[C@@H](C)c1ccncc1)c1cccs1 ZINC000020121231 384578388 /nfs/dbraw/zinc/57/83/88/384578388.db2.gz CBXGBLIELVJTFW-QWRGUYRKSA-N 0 3 232.352 3.555 20 0 BHADHN C[C@@H](N[C@H](C)c1ccncc1)c1cccs1 ZINC000020121232 342969751 /nfs/dbraw/zinc/96/97/51/342969751.db2.gz CBXGBLIELVJTFW-GHMZBOCLSA-N 0 3 232.352 3.555 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccncc1)c1cccs1 ZINC000020121233 342969701 /nfs/dbraw/zinc/96/97/01/342969701.db2.gz CBXGBLIELVJTFW-WDEREUQCSA-N 0 3 232.352 3.555 20 0 BHADHN C[C@@H](NCc1cccc(Cl)c1)c1ccncc1 ZINC000020121514 175899755 /nfs/dbraw/zinc/89/97/55/175899755.db2.gz YFAFSPXOERESFS-LLVKDONJSA-N 0 3 246.741 3.586 20 0 BHADHN C[C@H](NCc1cccc(Cl)c1)c1ccncc1 ZINC000020121515 387075523 /nfs/dbraw/zinc/07/55/23/387075523.db2.gz YFAFSPXOERESFS-NSHDSACASA-N 0 3 246.741 3.586 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)c2ccncc2)s1 ZINC000020121597 590076862 /nfs/dbraw/zinc/07/68/62/590076862.db2.gz KAEBYDSWGFRGRH-NEPJUHHUSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H](C)c2ccncc2)s1 ZINC000020121598 590076800 /nfs/dbraw/zinc/07/68/00/590076800.db2.gz KAEBYDSWGFRGRH-RYUDHWBXSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)c2ccncc2)s1 ZINC000020121599 590076854 /nfs/dbraw/zinc/07/68/54/590076854.db2.gz KAEBYDSWGFRGRH-VXGBXAGGSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccncc2)s1 ZINC000020121601 590076860 /nfs/dbraw/zinc/07/68/60/590076860.db2.gz KAEBYDSWGFRGRH-NWDGAFQWSA-N 0 3 246.379 3.863 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccncc1)c1cccs1 ZINC000020121781 351932849 /nfs/dbraw/zinc/93/28/49/351932849.db2.gz KVGOWXFZQHAICO-WCQYABFASA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccncc1)c1cccs1 ZINC000020121783 351932798 /nfs/dbraw/zinc/93/27/98/351932798.db2.gz KVGOWXFZQHAICO-AAEUAGOBSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccncc1)c1cccs1 ZINC000020121785 351932693 /nfs/dbraw/zinc/93/26/93/351932693.db2.gz KVGOWXFZQHAICO-DGCLKSJQSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@H](N[C@H](C)c1ccncc1)c1cccs1 ZINC000020121787 351932582 /nfs/dbraw/zinc/93/25/82/351932582.db2.gz KVGOWXFZQHAICO-YPMHNXCESA-N 0 3 246.379 3.945 20 0 BHADHN C[C@@H](NCCc1ccc(Cl)cc1)c1ccco1 ZINC000020122564 259389183 /nfs/dbraw/zinc/38/91/83/259389183.db2.gz ZLNASESORABWOE-LLVKDONJSA-N 0 3 249.741 3.826 20 0 BHADHN C[C@H](NCCc1ccc(Cl)cc1)c1ccco1 ZINC000020122565 259389280 /nfs/dbraw/zinc/38/92/80/259389280.db2.gz ZLNASESORABWOE-NSHDSACASA-N 0 3 249.741 3.826 20 0 BHADHN C[C@@H](NCCCc1ccccc1)c1ccco1 ZINC000020122723 259389200 /nfs/dbraw/zinc/38/92/00/259389200.db2.gz DTFMNYGYKGOYBY-CYBMUJFWSA-N 0 3 229.323 3.563 20 0 BHADHN C[C@H](NCCCc1ccccc1)c1ccco1 ZINC000020122724 259389093 /nfs/dbraw/zinc/38/90/93/259389093.db2.gz DTFMNYGYKGOYBY-ZDUSSCGKSA-N 0 3 229.323 3.563 20 0 BHADHN Cc1ccc([C@@H](C)NCCCc2ccccc2)o1 ZINC000020122727 259389434 /nfs/dbraw/zinc/38/94/34/259389434.db2.gz OJVIMOAPNIGGTA-CQSZACIVSA-N 0 3 243.350 3.871 20 0 BHADHN Cc1ccc([C@H](C)NCCCc2ccccc2)o1 ZINC000020122728 259389109 /nfs/dbraw/zinc/38/91/09/259389109.db2.gz OJVIMOAPNIGGTA-AWEZNQCLSA-N 0 3 243.350 3.871 20 0 BHADHN CC(C)CC[C@@H](C)N[C@@H](C)c1ccco1 ZINC000020122916 259395756 /nfs/dbraw/zinc/39/57/56/259395756.db2.gz ZUBHACBJKHULHF-NEPJUHHUSA-N 0 3 209.333 3.755 20 0 BHADHN CC(C)CC[C@H](C)N[C@@H](C)c1ccco1 ZINC000020122917 259395598 /nfs/dbraw/zinc/39/55/98/259395598.db2.gz ZUBHACBJKHULHF-RYUDHWBXSA-N 0 3 209.333 3.755 20 0 BHADHN CC(C)CC[C@@H](C)N[C@H](C)c1ccco1 ZINC000020122918 259395645 /nfs/dbraw/zinc/39/56/45/259395645.db2.gz ZUBHACBJKHULHF-VXGBXAGGSA-N 0 3 209.333 3.755 20 0 BHADHN CC(C)CC[C@H](C)N[C@H](C)c1ccco1 ZINC000020122919 259395683 /nfs/dbraw/zinc/39/56/83/259395683.db2.gz ZUBHACBJKHULHF-NWDGAFQWSA-N 0 3 209.333 3.755 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccccn1)c1ccccc1 ZINC000020123320 342969966 /nfs/dbraw/zinc/96/99/66/342969966.db2.gz ASLSRONHRRSYSZ-DZGCQCFKSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccccn1)c1ccccc1 ZINC000020123321 342969955 /nfs/dbraw/zinc/96/99/55/342969955.db2.gz ASLSRONHRRSYSZ-ZFWWWQNUSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccccn1)c1ccccc1 ZINC000020123322 342970236 /nfs/dbraw/zinc/97/02/36/342970236.db2.gz ASLSRONHRRSYSZ-UKRRQHHQSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@H](N[C@H](C)c1ccccn1)c1ccccc1 ZINC000020123323 342970052 /nfs/dbraw/zinc/97/00/52/342970052.db2.gz ASLSRONHRRSYSZ-HIFRSBDPSA-N 0 3 240.350 3.884 20 0 BHADHN CC(C)CC[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000020123701 384579416 /nfs/dbraw/zinc/57/94/16/384579416.db2.gz AQWPZKJPNCZKDL-OLZOCXBDSA-N 0 3 220.360 3.557 20 0 BHADHN CC(C)CC[C@H](C)N[C@@H](C)c1ccccn1 ZINC000020123703 342969945 /nfs/dbraw/zinc/96/99/45/342969945.db2.gz AQWPZKJPNCZKDL-STQMWFEESA-N 0 3 220.360 3.557 20 0 BHADHN CC(C)CC[C@@H](C)N[C@H](C)c1ccccn1 ZINC000020123704 384578322 /nfs/dbraw/zinc/57/83/22/384578322.db2.gz AQWPZKJPNCZKDL-CHWSQXEVSA-N 0 3 220.360 3.557 20 0 BHADHN CC(C)CC[C@H](C)N[C@H](C)c1ccccn1 ZINC000020123706 342970147 /nfs/dbraw/zinc/97/01/47/342970147.db2.gz AQWPZKJPNCZKDL-QWHCGFSZSA-N 0 3 220.360 3.557 20 0 BHADHN CCCCC[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000020123907 590075683 /nfs/dbraw/zinc/07/56/83/590075683.db2.gz FLMJVINLFFTVKR-OLZOCXBDSA-N 0 3 220.360 3.701 20 0 BHADHN CCCCC[C@H](C)N[C@@H](C)c1ccccn1 ZINC000020123908 590075530 /nfs/dbraw/zinc/07/55/30/590075530.db2.gz FLMJVINLFFTVKR-STQMWFEESA-N 0 3 220.360 3.701 20 0 BHADHN CCCCC[C@@H](C)N[C@H](C)c1ccccn1 ZINC000020123909 590075395 /nfs/dbraw/zinc/07/53/95/590075395.db2.gz FLMJVINLFFTVKR-CHWSQXEVSA-N 0 3 220.360 3.701 20 0 BHADHN CCCCC[C@H](C)N[C@H](C)c1ccccn1 ZINC000020123910 590075889 /nfs/dbraw/zinc/07/58/89/590075889.db2.gz FLMJVINLFFTVKR-QWHCGFSZSA-N 0 3 220.360 3.701 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccccn1)c1cccs1 ZINC000020123911 538930621 /nfs/dbraw/zinc/93/06/21/538930621.db2.gz GPKOMNCVROEPMV-NWDGAFQWSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccccn1)c1cccs1 ZINC000020123912 538930507 /nfs/dbraw/zinc/93/05/07/538930507.db2.gz GPKOMNCVROEPMV-RYUDHWBXSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccccn1)c1cccs1 ZINC000020123913 590076355 /nfs/dbraw/zinc/07/63/55/590076355.db2.gz GPKOMNCVROEPMV-VXGBXAGGSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@H](N[C@H](C)c1ccccn1)c1cccs1 ZINC000020123914 590076291 /nfs/dbraw/zinc/07/62/91/590076291.db2.gz GPKOMNCVROEPMV-NEPJUHHUSA-N 0 3 246.379 3.945 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccccc1Cl)C1CC1 ZINC000020124054 347407521 /nfs/dbraw/zinc/40/75/21/347407521.db2.gz CALGRPODBGDZNU-ZJUUUORDSA-N 0 3 223.747 3.789 20 0 BHADHN C[C@H](N[C@@H](C)C1CC1)c1ccccc1Cl ZINC000020124055 385415001 /nfs/dbraw/zinc/41/50/01/385415001.db2.gz CALGRPODBGDZNU-UWVGGRQHSA-N 0 3 223.747 3.789 20 0 BHADHN C[C@@H](N[C@H](C)C1CC1)c1ccccc1Cl ZINC000020124056 347407048 /nfs/dbraw/zinc/40/70/48/347407048.db2.gz CALGRPODBGDZNU-NXEZZACHSA-N 0 3 223.747 3.789 20 0 BHADHN C[C@@H](N[C@@H](C)C1CC1)c1ccccc1Cl ZINC000020124057 347407122 /nfs/dbraw/zinc/40/71/22/347407122.db2.gz CALGRPODBGDZNU-VHSXEESVSA-N 0 3 223.747 3.789 20 0 BHADHN CSCCCN[C@@H](C)c1ccccc1Cl ZINC000020124132 385414239 /nfs/dbraw/zinc/41/42/39/385414239.db2.gz KHMJCWRWVZVTOZ-JTQLQIEISA-N 0 3 243.803 3.744 20 0 BHADHN CSCCCN[C@H](C)c1ccccc1Cl ZINC000020124133 385414369 /nfs/dbraw/zinc/41/43/69/385414369.db2.gz KHMJCWRWVZVTOZ-SNVBAGLBSA-N 0 3 243.803 3.744 20 0 BHADHN C[C@@H](NCc1ccncc1)c1cccc(Cl)c1 ZINC000020124182 356998588 /nfs/dbraw/zinc/99/85/88/356998588.db2.gz UKXRDHKJQWVVEF-LLVKDONJSA-N 0 3 246.741 3.586 20 0 BHADHN C[C@H](NCc1ccncc1)c1cccc(Cl)c1 ZINC000020124183 387075654 /nfs/dbraw/zinc/07/56/54/387075654.db2.gz UKXRDHKJQWVVEF-NSHDSACASA-N 0 3 246.741 3.586 20 0 BHADHN Cc1ccccc1[C@@H](C)NCc1ccc(O)cc1 ZINC000020126078 179321847 /nfs/dbraw/zinc/32/18/47/179321847.db2.gz HYPUAUDWKJYPFQ-CYBMUJFWSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1ccccc1[C@H](C)NCc1ccc(O)cc1 ZINC000020126079 179339258 /nfs/dbraw/zinc/33/92/58/179339258.db2.gz HYPUAUDWKJYPFQ-ZDUSSCGKSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1ccccc1[C@@H](C)NCc1cccc(F)c1 ZINC000020126102 179321203 /nfs/dbraw/zinc/32/12/03/179321203.db2.gz PKYLWGSKHKLZHT-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccccc1[C@H](C)NCc1cccc(F)c1 ZINC000020126103 179338451 /nfs/dbraw/zinc/33/84/51/179338451.db2.gz PKYLWGSKHKLZHT-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccccc1[C@@H](C)NCc1cccs1 ZINC000020126124 179321067 /nfs/dbraw/zinc/32/10/67/179321067.db2.gz VLEFJSDGSVVKDV-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccccc1[C@H](C)NCc1cccs1 ZINC000020126125 179339041 /nfs/dbraw/zinc/33/90/41/179339041.db2.gz VLEFJSDGSVVKDV-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccccc1[C@@H](C)NCc1ccsc1 ZINC000020126134 179321549 /nfs/dbraw/zinc/32/15/49/179321549.db2.gz XRLNTDVHILXZBT-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccccc1[C@H](C)NCc1ccsc1 ZINC000020126135 179339594 /nfs/dbraw/zinc/33/95/94/179339594.db2.gz XRLNTDVHILXZBT-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@H](C)c1ccncc1 ZINC000020126176 179338418 /nfs/dbraw/zinc/33/84/18/179338418.db2.gz LJPLFHBALFWYET-KGLIPLIRSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccncc1 ZINC000020126177 179339168 /nfs/dbraw/zinc/33/91/68/179339168.db2.gz LJPLFHBALFWYET-KBPBESRZSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccncc1 ZINC000020126178 179323399 /nfs/dbraw/zinc/32/33/99/179323399.db2.gz LJPLFHBALFWYET-ZIAGYGMSSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccncc1 ZINC000020126179 179320629 /nfs/dbraw/zinc/32/06/29/179320629.db2.gz LJPLFHBALFWYET-UONOGXRCSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@H](C)c1cccnc1 ZINC000020126180 179338277 /nfs/dbraw/zinc/33/82/77/179338277.db2.gz NSKVQTUVISSDSY-KGLIPLIRSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@@H](C)c1cccnc1 ZINC000020126181 179339567 /nfs/dbraw/zinc/33/95/67/179339567.db2.gz NSKVQTUVISSDSY-KBPBESRZSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@H](C)c1cccnc1 ZINC000020126182 179323334 /nfs/dbraw/zinc/32/33/34/179323334.db2.gz NSKVQTUVISSDSY-ZIAGYGMSSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000020126183 179320871 /nfs/dbraw/zinc/32/08/71/179320871.db2.gz NSKVQTUVISSDSY-UONOGXRCSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccccc1[C@@H](C)NCc1cccc(O)c1 ZINC000020126294 179322068 /nfs/dbraw/zinc/32/20/68/179322068.db2.gz YRAXVTWPPDZLHZ-CYBMUJFWSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1ccccc1[C@H](C)NCc1cccc(O)c1 ZINC000020126295 179338161 /nfs/dbraw/zinc/33/81/61/179338161.db2.gz YRAXVTWPPDZLHZ-ZDUSSCGKSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1ccc(CN[C@H](C)c2cccnc2)c(C)c1 ZINC000020127423 342970638 /nfs/dbraw/zinc/97/06/38/342970638.db2.gz CSRZZZVUJIPTGC-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2cccnc2)c(C)c1 ZINC000020127424 178623190 /nfs/dbraw/zinc/62/31/90/178623190.db2.gz CSRZZZVUJIPTGC-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H](C)c2cccnc2)cc1 ZINC000020127550 384580973 /nfs/dbraw/zinc/58/09/73/384580973.db2.gz XKMYALNCGGHHBP-KGLIPLIRSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H](C)c2cccnc2)cc1 ZINC000020127551 384582814 /nfs/dbraw/zinc/58/28/14/384582814.db2.gz XKMYALNCGGHHBP-KBPBESRZSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)c2cccnc2)cc1 ZINC000020127552 384582783 /nfs/dbraw/zinc/58/27/83/384582783.db2.gz XKMYALNCGGHHBP-ZIAGYGMSSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)c2cccnc2)cc1 ZINC000020127553 384583495 /nfs/dbraw/zinc/58/34/95/384583495.db2.gz XKMYALNCGGHHBP-UONOGXRCSA-N 0 3 240.350 3.802 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cccnc1)c1ccccc1 ZINC000020127554 342970634 /nfs/dbraw/zinc/97/06/34/342970634.db2.gz QPILHDRQGCJMIC-XJKSGUPXSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@H](N[C@@H](C)c1cccnc1)c1ccccc1 ZINC000020127555 342970754 /nfs/dbraw/zinc/97/07/54/342970754.db2.gz QPILHDRQGCJMIC-BBRMVZONSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@@H](N[C@H](C)c1cccnc1)c1ccccc1 ZINC000020127556 342970438 /nfs/dbraw/zinc/97/04/38/342970438.db2.gz QPILHDRQGCJMIC-CZUORRHYSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@H](N[C@H](C)c1cccnc1)c1ccccc1 ZINC000020127557 342970664 /nfs/dbraw/zinc/97/06/64/342970664.db2.gz QPILHDRQGCJMIC-CJNGLKHVSA-N 0 3 240.350 3.884 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccs1)c1cccnc1 ZINC000020127585 342970736 /nfs/dbraw/zinc/97/07/36/342970736.db2.gz QQJWVXKCFKYJKS-MNOVXSKESA-N 0 3 232.352 3.555 20 0 BHADHN C[C@H](N[C@@H](C)c1cccnc1)c1cccs1 ZINC000020127586 384581729 /nfs/dbraw/zinc/58/17/29/384581729.db2.gz QQJWVXKCFKYJKS-QWRGUYRKSA-N 0 3 232.352 3.555 20 0 BHADHN C[C@@H](N[C@H](C)c1cccnc1)c1cccs1 ZINC000020127587 342970520 /nfs/dbraw/zinc/97/05/20/342970520.db2.gz QQJWVXKCFKYJKS-GHMZBOCLSA-N 0 3 232.352 3.555 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccnc1)c1cccs1 ZINC000020127588 342970655 /nfs/dbraw/zinc/97/06/55/342970655.db2.gz QQJWVXKCFKYJKS-WDEREUQCSA-N 0 3 232.352 3.555 20 0 BHADHN C[C@@H](NCc1cccc(Cl)c1)c1cccnc1 ZINC000020127825 356998862 /nfs/dbraw/zinc/99/88/62/356998862.db2.gz BMLQOENXRNLOEM-LLVKDONJSA-N 0 3 246.741 3.586 20 0 BHADHN C[C@H](NCc1cccc(Cl)c1)c1cccnc1 ZINC000020127826 387074510 /nfs/dbraw/zinc/07/45/10/387074510.db2.gz BMLQOENXRNLOEM-NSHDSACASA-N 0 3 246.741 3.586 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)c2cccnc2)s1 ZINC000020127881 178897748 /nfs/dbraw/zinc/89/77/48/178897748.db2.gz IHLSZTAMSTZMKR-NEPJUHHUSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H](C)c2cccnc2)s1 ZINC000020127882 384581592 /nfs/dbraw/zinc/58/15/92/384581592.db2.gz IHLSZTAMSTZMKR-RYUDHWBXSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)c2cccnc2)s1 ZINC000020127883 384580664 /nfs/dbraw/zinc/58/06/64/384580664.db2.gz IHLSZTAMSTZMKR-VXGBXAGGSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H](C)c2cccnc2)s1 ZINC000020127884 384580803 /nfs/dbraw/zinc/58/08/03/384580803.db2.gz IHLSZTAMSTZMKR-NWDGAFQWSA-N 0 3 246.379 3.863 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cccnc1)c1cccs1 ZINC000020128003 356998730 /nfs/dbraw/zinc/99/87/30/356998730.db2.gz CQSIBPMVKGYBME-WCQYABFASA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@H](N[C@@H](C)c1cccnc1)c1cccs1 ZINC000020128004 356998757 /nfs/dbraw/zinc/99/87/57/356998757.db2.gz CQSIBPMVKGYBME-AAEUAGOBSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@@H](N[C@H](C)c1cccnc1)c1cccs1 ZINC000020128005 356998415 /nfs/dbraw/zinc/99/84/15/356998415.db2.gz CQSIBPMVKGYBME-DGCLKSJQSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@H](N[C@H](C)c1cccnc1)c1cccs1 ZINC000020128006 356998392 /nfs/dbraw/zinc/99/83/92/356998392.db2.gz CQSIBPMVKGYBME-YPMHNXCESA-N 0 3 246.379 3.945 20 0 BHADHN Fc1cccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000020129656 342970748 /nfs/dbraw/zinc/97/07/48/342970748.db2.gz GDVNBOUFLZVVGC-MRXNPFEDSA-N 0 3 241.309 3.603 20 0 BHADHN Cc1ccccc1CN[C@@H]1CCc2ccccc21 ZINC000020129660 179284522 /nfs/dbraw/zinc/28/45/22/179284522.db2.gz WLHUIWOEBGAQGB-QGZVFWFLSA-N 0 3 237.346 3.772 20 0 BHADHN c1csc(CN[C@@H]2CCc3ccccc32)c1 ZINC000020129680 342970479 /nfs/dbraw/zinc/97/04/79/342970479.db2.gz GSNQVATXQHLZNN-CQSZACIVSA-N 0 3 229.348 3.525 20 0 BHADHN c1csc(CN[C@H]2CCc3ccccc32)c1 ZINC000020129681 342970731 /nfs/dbraw/zinc/97/07/31/342970731.db2.gz GSNQVATXQHLZNN-AWEZNQCLSA-N 0 3 229.348 3.525 20 0 BHADHN Cc1ccsc1CN[C@@H]1CCc2ccccc21 ZINC000020129688 342970646 /nfs/dbraw/zinc/97/06/46/342970646.db2.gz LTIZFQQZQXPVCM-CQSZACIVSA-N 0 3 243.375 3.834 20 0 BHADHN c1cc(CN[C@@H]2CCc3ccccc32)cs1 ZINC000020129692 384581289 /nfs/dbraw/zinc/58/12/89/384581289.db2.gz UXTHWIOIARECKC-CQSZACIVSA-N 0 3 229.348 3.525 20 0 BHADHN c1cc(CN[C@H]2CCc3ccccc32)cs1 ZINC000020129693 384581053 /nfs/dbraw/zinc/58/10/53/384581053.db2.gz UXTHWIOIARECKC-AWEZNQCLSA-N 0 3 229.348 3.525 20 0 BHADHN Cc1ccc(CN[C@@H]2CCc3ccccc32)s1 ZINC000020130087 342971070 /nfs/dbraw/zinc/97/10/70/342971070.db2.gz ADOPGZDMBRXJNK-OAHLLOKOSA-N 0 3 243.375 3.834 20 0 BHADHN Cc1ccc(CN[C@H]2CCc3ccccc32)s1 ZINC000020130090 342971041 /nfs/dbraw/zinc/97/10/41/342971041.db2.gz ADOPGZDMBRXJNK-HNNXBMFYSA-N 0 3 243.375 3.834 20 0 BHADHN CCC(CC)N[C@@H](C)c1nc(C)sc1C ZINC000020133075 538930635 /nfs/dbraw/zinc/93/06/35/538930635.db2.gz QKKICOLOLFIXJO-QMMMGPOBSA-N 0 3 226.389 3.599 20 0 BHADHN CCC(CC)N[C@H](C)c1nc(C)sc1C ZINC000020133078 538930510 /nfs/dbraw/zinc/93/05/10/538930510.db2.gz QKKICOLOLFIXJO-MRVPVSSYSA-N 0 3 226.389 3.599 20 0 BHADHN Cc1cccc(CNCc2ccccc2C)c1 ZINC000020133872 179095657 /nfs/dbraw/zinc/09/56/57/179095657.db2.gz AKSXQUYSUCQACD-UHFFFAOYSA-N 0 3 225.335 3.593 20 0 BHADHN Cc1cccc(CNCc2ccc(F)c(F)c2)c1 ZINC000020133885 179093484 /nfs/dbraw/zinc/09/34/84/179093484.db2.gz FRTFHFJSXQDYBF-UHFFFAOYSA-N 0 3 247.288 3.563 20 0 BHADHN Cc1ccsc1CNCc1cccc(C)c1 ZINC000020133920 179096840 /nfs/dbraw/zinc/09/68/40/179096840.db2.gz WSIGRPHFIXZNJX-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1cccc(CN[C@H](C)c2cccs2)c1 ZINC000020134035 179099868 /nfs/dbraw/zinc/09/98/68/179099868.db2.gz WQJYEHPJBHLVFY-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1cccc(CN[C@@H](C)c2cccs2)c1 ZINC000020134038 179098869 /nfs/dbraw/zinc/09/88/69/179098869.db2.gz WQJYEHPJBHLVFY-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1cccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000020134085 179100658 /nfs/dbraw/zinc/10/06/58/179100658.db2.gz MERYCWODOSEPSG-QGZVFWFLSA-N 0 3 237.346 3.772 20 0 BHADHN Cc1cccc(CN[C@H](C)c2cccc(O)c2)c1 ZINC000020134191 179100281 /nfs/dbraw/zinc/10/02/81/179100281.db2.gz AGWWJIIOAKBUPA-CYBMUJFWSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1cccc(CN[C@@H](C)c2cccc(O)c2)c1 ZINC000020134194 179097384 /nfs/dbraw/zinc/09/73/84/179097384.db2.gz AGWWJIIOAKBUPA-ZDUSSCGKSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1cccc(CNCc2cccc(Cl)c2)c1 ZINC000020134323 179094135 /nfs/dbraw/zinc/09/41/35/179094135.db2.gz XFTSIOOHBPWEQZ-UHFFFAOYSA-N 0 3 245.753 3.938 20 0 BHADHN Cc1cccc(CN[C@H](C)c2cccc(F)c2)c1 ZINC000020134347 259389133 /nfs/dbraw/zinc/38/91/33/259389133.db2.gz JBXIQZJKDXWBST-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1cccc(CN[C@@H](C)c2cccc(F)c2)c1 ZINC000020134348 259389119 /nfs/dbraw/zinc/38/91/19/259389119.db2.gz JBXIQZJKDXWBST-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccc(CNCc2cccc(C)c2)s1 ZINC000020134400 179094713 /nfs/dbraw/zinc/09/47/13/179094713.db2.gz HGXIQJFRDJSVCE-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN CC[C@@H](C)[C@@H](C)NCc1nc2ccccc2s1 ZINC000020136429 347355464 /nfs/dbraw/zinc/35/54/64/347355464.db2.gz NWGWTDZALLRSAJ-GHMZBOCLSA-N 0 3 248.395 3.821 20 0 BHADHN CC[C@H](C)[C@@H](C)NCc1nc2ccccc2s1 ZINC000020136432 171365228 /nfs/dbraw/zinc/36/52/28/171365228.db2.gz NWGWTDZALLRSAJ-WDEREUQCSA-N 0 3 248.395 3.821 20 0 BHADHN CC[C@@H](C)[C@H](C)NCc1nc2ccccc2s1 ZINC000020136436 347355631 /nfs/dbraw/zinc/35/56/31/347355631.db2.gz NWGWTDZALLRSAJ-MNOVXSKESA-N 0 3 248.395 3.821 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1nc2ccccc2s1 ZINC000020136440 171389834 /nfs/dbraw/zinc/38/98/34/171389834.db2.gz NWGWTDZALLRSAJ-QWRGUYRKSA-N 0 3 248.395 3.821 20 0 BHADHN C[C@@H](CN[C@@H](C)c1ccco1)c1ccccc1 ZINC000020137186 384580901 /nfs/dbraw/zinc/58/09/01/384580901.db2.gz VPEHNVWAJSKLPJ-STQMWFEESA-N 0 3 229.323 3.734 20 0 BHADHN C[C@H](CN[C@@H](C)c1ccco1)c1ccccc1 ZINC000020137189 342971388 /nfs/dbraw/zinc/97/13/88/342971388.db2.gz VPEHNVWAJSKLPJ-OLZOCXBDSA-N 0 3 229.323 3.734 20 0 BHADHN C[C@@H](CN[C@H](C)c1ccco1)c1ccccc1 ZINC000020137193 342971324 /nfs/dbraw/zinc/97/13/24/342971324.db2.gz VPEHNVWAJSKLPJ-QWHCGFSZSA-N 0 3 229.323 3.734 20 0 BHADHN C[C@@H](NC[C@@H](C)c1ccccc1)c1ccco1 ZINC000020137196 176684955 /nfs/dbraw/zinc/68/49/55/176684955.db2.gz VPEHNVWAJSKLPJ-CHWSQXEVSA-N 0 3 229.323 3.734 20 0 BHADHN C[C@@H](CCc1ccccc1)N[C@@H](C)c1ccco1 ZINC000020138437 259389346 /nfs/dbraw/zinc/38/93/46/259389346.db2.gz MLTWJAUFNLRWQY-KBPBESRZSA-N 0 3 243.350 3.952 20 0 BHADHN C[C@H](CCc1ccccc1)N[C@@H](C)c1ccco1 ZINC000020138441 259389257 /nfs/dbraw/zinc/38/92/57/259389257.db2.gz MLTWJAUFNLRWQY-KGLIPLIRSA-N 0 3 243.350 3.952 20 0 BHADHN C[C@@H](N[C@@H](C)CCc1ccccc1)c1ccco1 ZINC000020138445 259389249 /nfs/dbraw/zinc/38/92/49/259389249.db2.gz MLTWJAUFNLRWQY-UONOGXRCSA-N 0 3 243.350 3.952 20 0 BHADHN C[C@H](CCc1ccccc1)N[C@H](C)c1ccco1 ZINC000020138449 259389271 /nfs/dbraw/zinc/38/92/71/259389271.db2.gz MLTWJAUFNLRWQY-ZIAGYGMSSA-N 0 3 243.350 3.952 20 0 BHADHN CC(C)CCC[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000020138689 538930736 /nfs/dbraw/zinc/93/07/36/538930736.db2.gz HUASVELZWYHOES-KGLIPLIRSA-N 0 3 234.387 3.947 20 0 BHADHN CC(C)CCC[C@H](C)N[C@@H](C)c1ccccn1 ZINC000020138692 538930660 /nfs/dbraw/zinc/93/06/60/538930660.db2.gz HUASVELZWYHOES-KBPBESRZSA-N 0 3 234.387 3.947 20 0 BHADHN CC(C)CCC[C@@H](C)N[C@H](C)c1ccccn1 ZINC000020138695 590078209 /nfs/dbraw/zinc/07/82/09/590078209.db2.gz HUASVELZWYHOES-ZIAGYGMSSA-N 0 3 234.387 3.947 20 0 BHADHN CC(C)CCC[C@H](C)N[C@H](C)c1ccccn1 ZINC000020138698 590078579 /nfs/dbraw/zinc/07/85/79/590078579.db2.gz HUASVELZWYHOES-UONOGXRCSA-N 0 3 234.387 3.947 20 0 BHADHN Cc1ccc(CNCc2cccs2)c(C)c1 ZINC000020138829 342971561 /nfs/dbraw/zinc/97/15/61/342971561.db2.gz OHXYWGXIVITZSZ-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cccs2)cc1 ZINC000020138976 384583438 /nfs/dbraw/zinc/58/34/38/384583438.db2.gz OHZSDLQTJFFBLN-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccc([C@H](C)NCc2cccs2)cc1 ZINC000020138979 384580753 /nfs/dbraw/zinc/58/07/53/384580753.db2.gz OHZSDLQTJFFBLN-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN CC[C@@H](NCc1cccs1)c1ccccc1 ZINC000020138982 342971749 /nfs/dbraw/zinc/97/17/49/342971749.db2.gz LWJJUHHEODNQDG-CQSZACIVSA-N 0 3 231.364 3.989 20 0 BHADHN CC[C@H](NCc1cccs1)c1ccccc1 ZINC000020138985 342971685 /nfs/dbraw/zinc/97/16/85/342971685.db2.gz LWJJUHHEODNQDG-AWEZNQCLSA-N 0 3 231.364 3.989 20 0 BHADHN COc1cccc([C@@H](C)NCc2cccs2)c1 ZINC000020139110 175286598 /nfs/dbraw/zinc/28/65/98/175286598.db2.gz ONUAAVVQBCAROY-LLVKDONJSA-N 0 3 247.363 3.608 20 0 BHADHN COc1cccc([C@H](C)NCc2cccs2)c1 ZINC000020139114 175293215 /nfs/dbraw/zinc/29/32/15/175293215.db2.gz ONUAAVVQBCAROY-NSHDSACASA-N 0 3 247.363 3.608 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cccs2)s1 ZINC000020139449 385418230 /nfs/dbraw/zinc/41/82/30/385418230.db2.gz GMVXTHJXKMJDAP-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN Cc1ccc([C@H](C)NCc2cccs2)s1 ZINC000020139452 385419600 /nfs/dbraw/zinc/41/96/00/385419600.db2.gz GMVXTHJXKMJDAP-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN c1csc(CN[C@@H]2CCCc3ccccc32)c1 ZINC000020139487 342971604 /nfs/dbraw/zinc/97/16/04/342971604.db2.gz DLULLDJZYFMEDQ-OAHLLOKOSA-N 0 3 243.375 3.915 20 0 BHADHN c1csc(CN[C@H]2CCCc3ccccc32)c1 ZINC000020139489 342971648 /nfs/dbraw/zinc/97/16/48/342971648.db2.gz DLULLDJZYFMEDQ-HNNXBMFYSA-N 0 3 243.375 3.915 20 0 BHADHN Clc1ccc(CNCc2cccs2)s1 ZINC000020139523 347355697 /nfs/dbraw/zinc/35/56/97/347355697.db2.gz VDNNQSFQGUNZIH-UHFFFAOYSA-N 0 3 243.784 3.753 20 0 BHADHN CC[C@@H](NCc1ccncc1)c1ccc(C)cc1 ZINC000020140099 590078575 /nfs/dbraw/zinc/07/85/75/590078575.db2.gz FKVPPKTZJZJHHC-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@H](NCc1ccncc1)c1ccc(C)cc1 ZINC000020140102 590078033 /nfs/dbraw/zinc/07/80/33/590078033.db2.gz FKVPPKTZJZJHHC-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN Cc1cc([C@@H](C)NCc2ccncc2)c(C)s1 ZINC000020140501 178229752 /nfs/dbraw/zinc/22/97/52/178229752.db2.gz HSDFJTOXLARXIJ-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc([C@H](C)NCc2ccncc2)c(C)s1 ZINC000020140504 178252364 /nfs/dbraw/zinc/25/23/64/178252364.db2.gz HSDFJTOXLARXIJ-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN C[C@@H](NCc1cccnc1)c1ccc(Cl)cc1 ZINC000020140742 356998605 /nfs/dbraw/zinc/99/86/05/356998605.db2.gz CTKRYOBBTBGWMB-LLVKDONJSA-N 0 3 246.741 3.586 20 0 BHADHN C[C@H](NCc1cccnc1)c1ccc(Cl)cc1 ZINC000020140745 387074488 /nfs/dbraw/zinc/07/44/88/387074488.db2.gz CTKRYOBBTBGWMB-NSHDSACASA-N 0 3 246.741 3.586 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cccnc2)c(C)c1 ZINC000020141001 384585246 /nfs/dbraw/zinc/58/52/46/384585246.db2.gz XMLTXNJOZJCUNP-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@H](C)NCc2cccnc2)c(C)c1 ZINC000020141003 384586945 /nfs/dbraw/zinc/58/69/45/384586945.db2.gz XMLTXNJOZJCUNP-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(C)c([C@@H](C)NCc2cccnc2)c1 ZINC000020141015 385833349 /nfs/dbraw/zinc/83/33/49/385833349.db2.gz QXIAQBHJXQCFOP-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(C)c([C@H](C)NCc2cccnc2)c1 ZINC000020141017 351983251 /nfs/dbraw/zinc/98/32/51/351983251.db2.gz QXIAQBHJXQCFOP-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN CC[C@@H](NCc1cccnc1)c1ccc(C)cc1 ZINC000020141048 342971577 /nfs/dbraw/zinc/97/15/77/342971577.db2.gz BTOTTZBLNQNBAW-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@H](NCc1cccnc1)c1ccc(C)cc1 ZINC000020141051 342971841 /nfs/dbraw/zinc/97/18/41/342971841.db2.gz BTOTTZBLNQNBAW-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN C[C@@H](NCc1cccnc1)c1cccc(Cl)c1 ZINC000020141150 356998555 /nfs/dbraw/zinc/99/85/55/356998555.db2.gz PPDXMGMIXHJVHZ-LLVKDONJSA-N 0 3 246.741 3.586 20 0 BHADHN C[C@H](NCc1cccnc1)c1cccc(Cl)c1 ZINC000020141152 387075721 /nfs/dbraw/zinc/07/57/21/387075721.db2.gz PPDXMGMIXHJVHZ-NSHDSACASA-N 0 3 246.741 3.586 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cccnc2)cc1C ZINC000020141192 384586710 /nfs/dbraw/zinc/58/67/10/384586710.db2.gz NKGLKPLRUWJFIX-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@H](C)NCc2cccnc2)cc1C ZINC000020141195 384584557 /nfs/dbraw/zinc/58/45/57/384584557.db2.gz NKGLKPLRUWJFIX-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cc([C@@H](C)NCc2cccnc2)c(C)s1 ZINC000020141401 178229415 /nfs/dbraw/zinc/22/94/15/178229415.db2.gz ZSKHWTQCVGBZCK-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc([C@H](C)NCc2cccnc2)c(C)s1 ZINC000020141403 178252632 /nfs/dbraw/zinc/25/26/32/178252632.db2.gz ZSKHWTQCVGBZCK-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN CCCCCCN[C@@H](C)c1nc(C)sc1C ZINC000020143707 590078178 /nfs/dbraw/zinc/07/81/78/590078178.db2.gz AMIMWWZCDCHSOB-JTQLQIEISA-N 0 3 240.416 3.991 20 0 BHADHN CCCCCCN[C@H](C)c1nc(C)sc1C ZINC000020143709 590078593 /nfs/dbraw/zinc/07/85/93/590078593.db2.gz AMIMWWZCDCHSOB-SNVBAGLBSA-N 0 3 240.416 3.991 20 0 BHADHN CCCCc1ccc(NC2CCN(C)CC2)cc1 ZINC000020143711 169022470 /nfs/dbraw/zinc/02/24/70/169022470.db2.gz BLJNHYGSAHVNMK-UHFFFAOYSA-N 0 3 246.398 3.535 20 0 BHADHN C[C@@H](CCc1ccco1)N[C@@H](C)c1ccco1 ZINC000020144807 356998265 /nfs/dbraw/zinc/99/82/65/356998265.db2.gz OASACLILXXIWBF-RYUDHWBXSA-N 0 3 233.311 3.545 20 0 BHADHN C[C@H](CCc1ccco1)N[C@@H](C)c1ccco1 ZINC000020144809 176910369 /nfs/dbraw/zinc/91/03/69/176910369.db2.gz OASACLILXXIWBF-NEPJUHHUSA-N 0 3 233.311 3.545 20 0 BHADHN C[C@@H](N[C@@H](C)CCc1ccco1)c1ccco1 ZINC000020144811 187222725 /nfs/dbraw/zinc/22/27/25/187222725.db2.gz OASACLILXXIWBF-NWDGAFQWSA-N 0 3 233.311 3.545 20 0 BHADHN C[C@H](CCc1ccco1)N[C@H](C)c1ccco1 ZINC000020144813 356998741 /nfs/dbraw/zinc/99/87/41/356998741.db2.gz OASACLILXXIWBF-VXGBXAGGSA-N 0 3 233.311 3.545 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H](C)CCc2ccco2)o1 ZINC000020144839 384586618 /nfs/dbraw/zinc/58/66/18/384586618.db2.gz SUSGDYHKQQIEKT-AAEUAGOBSA-N 0 3 247.338 3.853 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)CCc2ccco2)o1 ZINC000020144841 384586004 /nfs/dbraw/zinc/58/60/04/384586004.db2.gz SUSGDYHKQQIEKT-YPMHNXCESA-N 0 3 247.338 3.853 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H](C)CCc2ccco2)o1 ZINC000020144843 384585869 /nfs/dbraw/zinc/58/58/69/384585869.db2.gz SUSGDYHKQQIEKT-WCQYABFASA-N 0 3 247.338 3.853 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)CCc2ccco2)o1 ZINC000020144845 384585465 /nfs/dbraw/zinc/58/54/65/384585465.db2.gz SUSGDYHKQQIEKT-DGCLKSJQSA-N 0 3 247.338 3.853 20 0 BHADHN C[C@@H](NCc1cccc(F)c1)c1cccc(F)c1 ZINC000020147770 259389715 /nfs/dbraw/zinc/38/97/15/259389715.db2.gz MIOMIVZPMHVALP-LLVKDONJSA-N 0 3 247.288 3.816 20 0 BHADHN C[C@H](NCc1cccc(F)c1)c1cccc(F)c1 ZINC000020147771 259389616 /nfs/dbraw/zinc/38/96/16/259389616.db2.gz MIOMIVZPMHVALP-NSHDSACASA-N 0 3 247.288 3.816 20 0 BHADHN Cc1ccccc1CN[C@H](C)c1cccc(F)c1 ZINC000020147772 259389887 /nfs/dbraw/zinc/38/98/87/259389887.db2.gz MZWCPZMUDHJLHV-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccccc1CN[C@@H](C)c1cccc(F)c1 ZINC000020147773 259389829 /nfs/dbraw/zinc/38/98/29/259389829.db2.gz MZWCPZMUDHJLHV-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN C[C@@H](NCc1cccs1)c1cccc(F)c1 ZINC000020147790 356999591 /nfs/dbraw/zinc/99/95/91/356999591.db2.gz PKRXOGAZGXGNEU-SNVBAGLBSA-N 0 3 235.327 3.738 20 0 BHADHN C[C@H](NCc1cccs1)c1cccc(F)c1 ZINC000020147791 176878923 /nfs/dbraw/zinc/87/89/23/176878923.db2.gz PKRXOGAZGXGNEU-JTQLQIEISA-N 0 3 235.327 3.738 20 0 BHADHN C[C@@H](NCc1ccsc1)c1cccc(F)c1 ZINC000020147802 356999441 /nfs/dbraw/zinc/99/94/41/356999441.db2.gz SDYXDTLHUPWJTG-SNVBAGLBSA-N 0 3 235.327 3.738 20 0 BHADHN C[C@H](NCc1ccsc1)c1cccc(F)c1 ZINC000020147803 387075235 /nfs/dbraw/zinc/07/52/35/387075235.db2.gz SDYXDTLHUPWJTG-JTQLQIEISA-N 0 3 235.327 3.738 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1cccnc1 ZINC000020147856 342972049 /nfs/dbraw/zinc/97/20/49/342972049.db2.gz PYWIXEWIIDLMDA-NWDGAFQWSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@H](N[C@@H](C)c1cccc(F)c1)c1cccnc1 ZINC000020147857 384584431 /nfs/dbraw/zinc/58/44/31/384584431.db2.gz PYWIXEWIIDLMDA-RYUDHWBXSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@@H](N[C@H](C)c1cccc(F)c1)c1cccnc1 ZINC000020147858 175921219 /nfs/dbraw/zinc/92/12/19/175921219.db2.gz PYWIXEWIIDLMDA-VXGBXAGGSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccnc1)c1cccc(F)c1 ZINC000020147859 342972051 /nfs/dbraw/zinc/97/20/51/342972051.db2.gz PYWIXEWIIDLMDA-NEPJUHHUSA-N 0 3 244.313 3.633 20 0 BHADHN COc1cccc(CN[C@@H](C)c2cccs2)c1 ZINC000020148171 175266601 /nfs/dbraw/zinc/26/66/01/175266601.db2.gz KHJYVYCPZWGESQ-NSHDSACASA-N 0 3 247.363 3.608 20 0 BHADHN COc1cccc(CN[C@H](C)c2cccs2)c1 ZINC000020148172 175267484 /nfs/dbraw/zinc/26/74/84/175267484.db2.gz KHJYVYCPZWGESQ-LLVKDONJSA-N 0 3 247.363 3.608 20 0 BHADHN C[C@@H](NCc1cccc(F)c1)c1cccs1 ZINC000020148177 387075249 /nfs/dbraw/zinc/07/52/49/387075249.db2.gz AHXAHYHAMOTHCG-SNVBAGLBSA-N 0 3 235.327 3.738 20 0 BHADHN C[C@H](NCc1cccc(F)c1)c1cccs1 ZINC000020148178 176876788 /nfs/dbraw/zinc/87/67/88/176876788.db2.gz AHXAHYHAMOTHCG-JTQLQIEISA-N 0 3 235.327 3.738 20 0 BHADHN Cc1ccccc1CN[C@H](C)c1cccs1 ZINC000020148181 179284484 /nfs/dbraw/zinc/28/44/84/179284484.db2.gz BXUVSNOJRGQJLR-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccccc1CN[C@@H](C)c1cccs1 ZINC000020148182 179283196 /nfs/dbraw/zinc/28/31/96/179283196.db2.gz BXUVSNOJRGQJLR-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccsc1CN[C@H](C)c1cccs1 ZINC000020148203 347412754 /nfs/dbraw/zinc/41/27/54/347412754.db2.gz IYUVCBHQUVQJHB-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN Cc1ccsc1CN[C@@H](C)c1cccs1 ZINC000020148204 347412959 /nfs/dbraw/zinc/41/29/59/347412959.db2.gz IYUVCBHQUVQJHB-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN C[C@@H](NCc1ccsc1)c1cccs1 ZINC000020148207 342972160 /nfs/dbraw/zinc/97/21/60/342972160.db2.gz JOGADLWXTCICIH-SECBINFHSA-N 0 3 223.366 3.660 20 0 BHADHN C[C@H](NCc1ccsc1)c1cccs1 ZINC000020148208 385422455 /nfs/dbraw/zinc/42/24/55/385422455.db2.gz JOGADLWXTCICIH-VIFPVBQESA-N 0 3 223.366 3.660 20 0 BHADHN Cc1ccc(CN[C@H](C)c2cccs2)s1 ZINC000020148570 342972089 /nfs/dbraw/zinc/97/20/89/342972089.db2.gz UZSQACPLUDGIHH-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2cccs2)s1 ZINC000020148571 347412641 /nfs/dbraw/zinc/41/26/41/347412641.db2.gz UZSQACPLUDGIHH-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN Cc1ccccc1CN[C@@H]1CCCc2occc21 ZINC000020203928 179282108 /nfs/dbraw/zinc/28/21/08/179282108.db2.gz CRDKAZYEOLRGPB-OAHLLOKOSA-N 0 3 241.334 3.755 20 0 BHADHN Cc1ccccc1CN[C@H]1CCCc2occc21 ZINC000020203931 179284768 /nfs/dbraw/zinc/28/47/68/179284768.db2.gz CRDKAZYEOLRGPB-HNNXBMFYSA-N 0 3 241.334 3.755 20 0 BHADHN Cc1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000020203934 178625331 /nfs/dbraw/zinc/62/53/31/178625331.db2.gz DOMNMXYRVXVQFI-OAHLLOKOSA-N 0 3 241.334 3.755 20 0 BHADHN Cc1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000020203937 342976710 /nfs/dbraw/zinc/97/67/10/342976710.db2.gz DOMNMXYRVXVQFI-HNNXBMFYSA-N 0 3 241.334 3.755 20 0 BHADHN Cc1cccc(CN[C@@H]2CCCc3occc32)c1 ZINC000020203945 179098669 /nfs/dbraw/zinc/09/86/69/179098669.db2.gz SBFMMBXUFCABIG-OAHLLOKOSA-N 0 3 241.334 3.755 20 0 BHADHN Cc1cccc(CN[C@H]2CCCc3occc32)c1 ZINC000020203948 179101587 /nfs/dbraw/zinc/10/15/87/179101587.db2.gz SBFMMBXUFCABIG-HNNXBMFYSA-N 0 3 241.334 3.755 20 0 BHADHN c1csc(CN[C@@H]2CCCc3occc32)c1 ZINC000020204013 342976511 /nfs/dbraw/zinc/97/65/11/342976511.db2.gz QGCHMEJKCHVLNN-GFCCVEGCSA-N 0 3 233.336 3.508 20 0 BHADHN c1csc(CN[C@H]2CCCc3occc32)c1 ZINC000020204016 342976670 /nfs/dbraw/zinc/97/66/70/342976670.db2.gz QGCHMEJKCHVLNN-LBPRGKRZSA-N 0 3 233.336 3.508 20 0 BHADHN Cc1ccsc1CN[C@@H]1CCCc2occc21 ZINC000020204050 342976530 /nfs/dbraw/zinc/97/65/30/342976530.db2.gz LVTXATMRNCKSGO-GFCCVEGCSA-N 0 3 247.363 3.817 20 0 BHADHN Cc1ccsc1CN[C@H]1CCCc2occc21 ZINC000020204053 342976449 /nfs/dbraw/zinc/97/64/49/342976449.db2.gz LVTXATMRNCKSGO-LBPRGKRZSA-N 0 3 247.363 3.817 20 0 BHADHN Cc1ccc(CN[C@@H]2CCCc3occc32)s1 ZINC000020204995 342976765 /nfs/dbraw/zinc/97/67/65/342976765.db2.gz AQKYCTMCIZSGBD-CYBMUJFWSA-N 0 3 247.363 3.817 20 0 BHADHN Cc1ccc(CN[C@H]2CCCc3occc32)s1 ZINC000020204998 342976832 /nfs/dbraw/zinc/97/68/32/342976832.db2.gz AQKYCTMCIZSGBD-ZDUSSCGKSA-N 0 3 247.363 3.817 20 0 BHADHN Cc1cccc(CNCc2ccc(Cl)cc2)c1 ZINC000020209592 179093732 /nfs/dbraw/zinc/09/37/32/179093732.db2.gz ZFNRJQUJWAAKSQ-UHFFFAOYSA-N 0 3 245.753 3.938 20 0 BHADHN Clc1ccc(CNCc2ccsc2)cc1 ZINC000020209624 342977119 /nfs/dbraw/zinc/97/71/19/342977119.db2.gz IKKNADSRXGQRBA-UHFFFAOYSA-N 0 3 237.755 3.691 20 0 BHADHN C[C@@H](NCc1ccc(Cl)cc1)c1ccncc1 ZINC000020209682 386386206 /nfs/dbraw/zinc/38/62/06/386386206.db2.gz GSLJOUASZCQXAP-LLVKDONJSA-N 0 3 246.741 3.586 20 0 BHADHN C[C@H](NCc1ccc(Cl)cc1)c1ccncc1 ZINC000020209686 386386344 /nfs/dbraw/zinc/38/63/44/386386344.db2.gz GSLJOUASZCQXAP-NSHDSACASA-N 0 3 246.741 3.586 20 0 BHADHN C[C@@H](NCc1ccc(Cl)cc1)c1cccnc1 ZINC000020209688 386386110 /nfs/dbraw/zinc/38/61/10/386386110.db2.gz BSUSXXWQZJOQES-LLVKDONJSA-N 0 3 246.741 3.586 20 0 BHADHN C[C@H](NCc1ccc(Cl)cc1)c1cccnc1 ZINC000020209691 386388460 /nfs/dbraw/zinc/38/84/60/386388460.db2.gz BSUSXXWQZJOQES-NSHDSACASA-N 0 3 246.741 3.586 20 0 BHADHN c1ccc(CNCc2ccc3ncccc3c2)cc1 ZINC000020248077 385453846 /nfs/dbraw/zinc/45/38/46/385453846.db2.gz LHAXOFVTFXYWFP-UHFFFAOYSA-N 0 3 248.329 3.525 20 0 BHADHN Cc1nc(CNC2CCCCCCC2)cs1 ZINC000020252934 590092802 /nfs/dbraw/zinc/09/28/02/590092802.db2.gz MXGAROBAUMUVGB-UHFFFAOYSA-N 0 3 238.400 3.654 20 0 BHADHN CCCC[C@@H](CC)CNCc1c(C)noc1C ZINC000020253196 590093268 /nfs/dbraw/zinc/09/32/68/590093268.db2.gz CYNANEYOEJPDNS-CYBMUJFWSA-N 0 3 238.375 3.597 20 0 BHADHN CCCC[C@H](CC)CNCc1c(C)noc1C ZINC000020253197 590092915 /nfs/dbraw/zinc/09/29/15/590092915.db2.gz CYNANEYOEJPDNS-ZDUSSCGKSA-N 0 3 238.375 3.597 20 0 BHADHN CCCC[C@@H](CC)CNCc1csc(C)n1 ZINC000020253198 259392929 /nfs/dbraw/zinc/39/29/29/259392929.db2.gz FGTCWSLAHNZJRT-GFCCVEGCSA-N 0 3 240.416 3.758 20 0 BHADHN CCCC[C@H](CC)CNCc1csc(C)n1 ZINC000020253199 259392833 /nfs/dbraw/zinc/39/28/33/259392833.db2.gz FGTCWSLAHNZJRT-LBPRGKRZSA-N 0 3 240.416 3.758 20 0 BHADHN Cc1noc(C)c1CN[C@H](C)CCCC(C)C ZINC000020253298 590093468 /nfs/dbraw/zinc/09/34/68/590093468.db2.gz NHFTYZSDGDXYLP-LLVKDONJSA-N 0 3 238.375 3.596 20 0 BHADHN Cc1noc(C)c1CN[C@@H](C)CCCC(C)C ZINC000020253299 590093131 /nfs/dbraw/zinc/09/31/31/590093131.db2.gz NHFTYZSDGDXYLP-NSHDSACASA-N 0 3 238.375 3.596 20 0 BHADHN Cc1nc(CN[C@H](C)CCCC(C)C)cs1 ZINC000020253300 590093421 /nfs/dbraw/zinc/09/34/21/590093421.db2.gz WMGVQISXQPIRNM-LLVKDONJSA-N 0 3 240.416 3.756 20 0 BHADHN Cc1nc(CN[C@@H](C)CCCC(C)C)cs1 ZINC000020253301 590093244 /nfs/dbraw/zinc/09/32/44/590093244.db2.gz WMGVQISXQPIRNM-NSHDSACASA-N 0 3 240.416 3.756 20 0 BHADHN Clc1ccc(CN2CCCCCCC2)cn1 ZINC000020265781 590093940 /nfs/dbraw/zinc/09/39/40/590093940.db2.gz SRKAVKYZWMLKSE-UHFFFAOYSA-N 0 3 238.762 3.501 20 0 BHADHN Fc1cccc(CNCc2cccc(Cl)c2)c1 ZINC000020305193 347394915 /nfs/dbraw/zinc/39/49/15/347394915.db2.gz ZRYRAGOLMVGBFJ-UHFFFAOYSA-N 0 3 249.716 3.769 20 0 BHADHN CCCCCC[C@@H](C)NCc1ccccn1 ZINC000020306077 342980992 /nfs/dbraw/zinc/98/09/92/342980992.db2.gz DEEKWKGCEZGPQT-CYBMUJFWSA-N 0 3 220.360 3.530 20 0 BHADHN CCCCCC[C@H](C)NCc1ccccn1 ZINC000020306078 342981010 /nfs/dbraw/zinc/98/10/10/342981010.db2.gz DEEKWKGCEZGPQT-ZDUSSCGKSA-N 0 3 220.360 3.530 20 0 BHADHN CCCCCC[C@@H](C)NCc1ccco1 ZINC000020306094 590097119 /nfs/dbraw/zinc/09/71/19/590097119.db2.gz OJQYAQTVLXVZLI-GFCCVEGCSA-N 0 3 209.333 3.728 20 0 BHADHN CCCCCC[C@H](C)NCc1ccco1 ZINC000020306096 590096824 /nfs/dbraw/zinc/09/68/24/590096824.db2.gz OJQYAQTVLXVZLI-LBPRGKRZSA-N 0 3 209.333 3.728 20 0 BHADHN CC(C)[C@@H](C)N[C@@H](C)c1nc2ccccc2s1 ZINC000020309778 590098156 /nfs/dbraw/zinc/09/81/56/590098156.db2.gz YAZBQJLZUSCLDH-MNOVXSKESA-N 0 3 248.395 3.991 20 0 BHADHN CC(C)[C@H](C)N[C@@H](C)c1nc2ccccc2s1 ZINC000020309782 590098190 /nfs/dbraw/zinc/09/81/90/590098190.db2.gz YAZBQJLZUSCLDH-QWRGUYRKSA-N 0 3 248.395 3.991 20 0 BHADHN CC(C)[C@@H](C)N[C@H](C)c1nc2ccccc2s1 ZINC000020309786 590097550 /nfs/dbraw/zinc/09/75/50/590097550.db2.gz YAZBQJLZUSCLDH-GHMZBOCLSA-N 0 3 248.395 3.991 20 0 BHADHN CC(C)[C@H](C)N[C@H](C)c1nc2ccccc2s1 ZINC000020309789 590097824 /nfs/dbraw/zinc/09/78/24/590097824.db2.gz YAZBQJLZUSCLDH-WDEREUQCSA-N 0 3 248.395 3.991 20 0 BHADHN CC(C)[C@@H](C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000020361644 167382466 /nfs/dbraw/zinc/38/24/66/167382466.db2.gz CWBWGOSCQGLMAX-DMDPSCGWSA-N 0 3 221.344 3.537 20 0 BHADHN CC(C)[C@H](C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000020361645 383873294 /nfs/dbraw/zinc/87/32/94/383873294.db2.gz CWBWGOSCQGLMAX-GMXVVIOVSA-N 0 3 221.344 3.537 20 0 BHADHN CC(C)[C@@H](C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000020361646 167382169 /nfs/dbraw/zinc/38/21/69/167382169.db2.gz CWBWGOSCQGLMAX-LOWVWBTDSA-N 0 3 221.344 3.537 20 0 BHADHN CC(C)[C@H](C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000020361647 343302996 /nfs/dbraw/zinc/30/29/96/343302996.db2.gz CWBWGOSCQGLMAX-GVXVVHGQSA-N 0 3 221.344 3.537 20 0 BHADHN Cc1cc([C@@H](C)NCc2ccccc2)c(C)o1 ZINC000020437444 178228663 /nfs/dbraw/zinc/22/86/63/178228663.db2.gz BRPSFJRZLZWIHW-GFCCVEGCSA-N 0 3 229.323 3.747 20 0 BHADHN Cc1cc([C@H](C)NCc2ccccc2)c(C)o1 ZINC000020437448 178252226 /nfs/dbraw/zinc/25/22/26/178252226.db2.gz BRPSFJRZLZWIHW-LBPRGKRZSA-N 0 3 229.323 3.747 20 0 BHADHN CCc1ccc(CNCc2cccc(F)c2)s1 ZINC000020473582 397965637 /nfs/dbraw/zinc/96/56/37/397965637.db2.gz KIWPQRAFMPEOCS-UHFFFAOYSA-N 0 3 249.354 3.739 20 0 BHADHN CC(C)[C@@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000020522946 167383164 /nfs/dbraw/zinc/38/31/64/167383164.db2.gz ITOIHFPHICRRFJ-ZJUUUORDSA-N 0 3 227.298 3.660 20 0 BHADHN CC(C)[C@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000020522948 343309694 /nfs/dbraw/zinc/30/96/94/343309694.db2.gz ITOIHFPHICRRFJ-UWVGGRQHSA-N 0 3 227.298 3.660 20 0 BHADHN CC(C)[C@@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000020522950 167385628 /nfs/dbraw/zinc/38/56/28/167385628.db2.gz ITOIHFPHICRRFJ-NXEZZACHSA-N 0 3 227.298 3.660 20 0 BHADHN CC(C)[C@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000020522952 383880509 /nfs/dbraw/zinc/88/05/09/383880509.db2.gz ITOIHFPHICRRFJ-VHSXEESVSA-N 0 3 227.298 3.660 20 0 BHADHN CC(C)[C@@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000020523241 259399044 /nfs/dbraw/zinc/39/90/44/259399044.db2.gz CAYIJVDLSUUZIR-ZJUUUORDSA-N 0 3 227.298 3.660 20 0 BHADHN CC(C)[C@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000020523242 259398926 /nfs/dbraw/zinc/39/89/26/259398926.db2.gz CAYIJVDLSUUZIR-UWVGGRQHSA-N 0 3 227.298 3.660 20 0 BHADHN CC(C)[C@@H](C)N[C@H](C)c1c(F)cccc1F ZINC000020523244 259399164 /nfs/dbraw/zinc/39/91/64/259399164.db2.gz CAYIJVDLSUUZIR-NXEZZACHSA-N 0 3 227.298 3.660 20 0 BHADHN CC(C)[C@H](C)N[C@H](C)c1c(F)cccc1F ZINC000020523246 259399010 /nfs/dbraw/zinc/39/90/10/259399010.db2.gz CAYIJVDLSUUZIR-VHSXEESVSA-N 0 3 227.298 3.660 20 0 BHADHN CCCC1CCC(NCc2ccco2)CC1 ZINC000021050709 323098030 /nfs/dbraw/zinc/09/80/30/323098030.db2.gz TZRLJNXBEIFYLT-UHFFFAOYSA-N 0 3 221.344 3.728 20 0 BHADHN CCc1ccc(CNCc2cccc(C)c2)cc1 ZINC000021062238 386230782 /nfs/dbraw/zinc/23/07/82/386230782.db2.gz NBJPYNWGHSODLH-UHFFFAOYSA-N 0 3 239.362 3.847 20 0 BHADHN Cc1ccc(CN[C@H](C)CCCC(C)C)o1 ZINC000021506038 518188861 /nfs/dbraw/zinc/18/88/61/518188861.db2.gz GHVPWHSBCNNXHW-GFCCVEGCSA-N 0 3 223.360 3.892 20 0 BHADHN Cc1ccc(CN[C@@H](C)CCCC(C)C)o1 ZINC000021506040 386478729 /nfs/dbraw/zinc/47/87/29/386478729.db2.gz GHVPWHSBCNNXHW-LBPRGKRZSA-N 0 3 223.360 3.892 20 0 BHADHN Cc1ccc(CN[C@H](C)CCC(C)C)o1 ZINC000021516266 488022249 /nfs/dbraw/zinc/02/22/49/488022249.db2.gz ZTOYIGFDNUOLGW-LLVKDONJSA-N 0 3 209.333 3.502 20 0 BHADHN Cc1ccc(CN[C@@H](C)CCC(C)C)o1 ZINC000021516267 488022345 /nfs/dbraw/zinc/02/23/45/488022345.db2.gz ZTOYIGFDNUOLGW-NSHDSACASA-N 0 3 209.333 3.502 20 0 BHADHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c([O-])c1 ZINC000021518879 590192274 /nfs/dbraw/zinc/19/22/74/590192274.db2.gz OMJGYGRTCRFFKD-IPYPFGDCSA-N 0 3 247.382 3.930 20 0 BHADHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC000021518881 590192298 /nfs/dbraw/zinc/19/22/98/590192298.db2.gz OMJGYGRTCRFFKD-VNHYZAJKSA-N 0 3 247.382 3.930 20 0 BHADHN Cc1cccc(CNCc2ccc(C)cc2C)c1 ZINC000021519090 386476056 /nfs/dbraw/zinc/47/60/56/386476056.db2.gz VIXJALRYLYYJMG-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Fc1ccc(CNC2CCCCCC2)c(F)c1 ZINC000021813325 350597086 /nfs/dbraw/zinc/59/70/86/350597086.db2.gz OCVUCUYCQKPHFM-UHFFFAOYSA-N 0 3 239.309 3.777 20 0 BHADHN CCCCCCNCc1c(F)cccc1F ZINC000021813670 643323116 /nfs/dbraw/zinc/32/31/16/643323116.db2.gz GIIJGSVKGJMJGD-UHFFFAOYSA-N 0 3 227.298 3.635 20 0 BHADHN C[C@@H](NC1CC1)c1ccccc1C(F)(F)F ZINC000021957381 384708842 /nfs/dbraw/zinc/70/88/42/384708842.db2.gz ZQWWQSPIPRGIDU-MRVPVSSYSA-N 0 3 229.245 3.518 20 0 BHADHN C[C@H](NC1CC1)c1ccccc1C(F)(F)F ZINC000021957385 384710351 /nfs/dbraw/zinc/71/03/51/384710351.db2.gz ZQWWQSPIPRGIDU-QMMMGPOBSA-N 0 3 229.245 3.518 20 0 BHADHN c1ccc2c(c1)-c1ccccc1C2NC1CC1 ZINC000021957599 386087776 /nfs/dbraw/zinc/08/77/76/386087776.db2.gz SKCTZJACKILWHI-UHFFFAOYSA-N 0 3 221.303 3.508 20 0 BHADHN Fc1ccc([C@@H](NC2CC2)c2ccccc2)cc1 ZINC000022144909 351047445 /nfs/dbraw/zinc/04/74/45/351047445.db2.gz SNAYWNJASUJFKN-INIZCTEOSA-N 0 3 241.309 3.667 20 0 BHADHN Fc1ccc([C@H](NC2CC2)c2ccccc2)cc1 ZINC000022144911 351047550 /nfs/dbraw/zinc/04/75/50/351047550.db2.gz SNAYWNJASUJFKN-MRXNPFEDSA-N 0 3 241.309 3.667 20 0 BHADHN CCc1c2ccccc2oc1[C@@H](C)NC1CC1 ZINC000022149811 351052465 /nfs/dbraw/zinc/05/24/65/351052465.db2.gz ALCDYIUHPNATRX-SNVBAGLBSA-N 0 3 229.323 3.808 20 0 BHADHN CCc1c2ccccc2oc1[C@H](C)NC1CC1 ZINC000022149816 351052068 /nfs/dbraw/zinc/05/20/68/351052068.db2.gz ALCDYIUHPNATRX-JTQLQIEISA-N 0 3 229.323 3.808 20 0 BHADHN Fc1cccc(F)c1CNC1CCCCCC1 ZINC000022153699 181000771 /nfs/dbraw/zinc/00/07/71/181000771.db2.gz AKOZNCSUTYSLSU-UHFFFAOYSA-N 0 3 239.309 3.777 20 0 BHADHN CCCCN(CC)Cc1ccccc1Cl ZINC000028221857 368241581 /nfs/dbraw/zinc/24/15/81/368241581.db2.gz WQIBAWWCXPYMJR-UHFFFAOYSA-N 0 3 225.763 3.962 20 0 BHADHN CCCN(CCC)Cc1ccccc1Cl ZINC000028221865 541499605 /nfs/dbraw/zinc/49/96/05/541499605.db2.gz UJDIJYRZURXOKC-UHFFFAOYSA-N 0 3 225.763 3.962 20 0 BHADHN C[C@@H]1Cc2ccccc2CN1Cc1ccccc1 ZINC000028245506 387531236 /nfs/dbraw/zinc/53/12/36/387531236.db2.gz CSCFEDOGGKUFCG-CQSZACIVSA-N 0 3 237.346 3.633 20 0 BHADHN C[C@H]1Cc2ccccc2CN1Cc1ccccc1 ZINC000028245512 177389488 /nfs/dbraw/zinc/38/94/88/177389488.db2.gz CSCFEDOGGKUFCG-AWEZNQCLSA-N 0 3 237.346 3.633 20 0 BHADHN Cc1ccccc1CNCc1ccccc1C ZINC000032015079 179283083 /nfs/dbraw/zinc/28/30/83/179283083.db2.gz MVICRLYVKHTJPW-UHFFFAOYSA-N 0 3 225.335 3.593 20 0 BHADHN Cc1ccccc1CNCc1cccc(Cl)c1 ZINC000032102334 179283307 /nfs/dbraw/zinc/28/33/07/179283307.db2.gz XPGKVOVPJUKTAL-UHFFFAOYSA-N 0 3 245.753 3.938 20 0 BHADHN Cc1ccc(CN(C)Cc2ccc(C)cc2)cc1 ZINC000032131975 353154482 /nfs/dbraw/zinc/15/44/82/353154482.db2.gz IRGIOTYYLJUOMQ-UHFFFAOYSA-N 0 3 239.362 3.935 20 0 BHADHN CC[C@@H](C)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000032192765 538950120 /nfs/dbraw/zinc/95/01/20/538950120.db2.gz OZALJKGFQHTUGN-GFCCVEGCSA-N 0 3 242.366 3.633 20 0 BHADHN CC[C@H](C)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000032192766 538950087 /nfs/dbraw/zinc/95/00/87/538950087.db2.gz OZALJKGFQHTUGN-LBPRGKRZSA-N 0 3 242.366 3.633 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000032237483 368256862 /nfs/dbraw/zinc/25/68/62/368256862.db2.gz XXYVFBUUZBUTDL-LLVKDONJSA-N 0 3 223.747 3.887 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000032237484 368256322 /nfs/dbraw/zinc/25/63/22/368256322.db2.gz XXYVFBUUZBUTDL-NSHDSACASA-N 0 3 223.747 3.887 20 0 BHADHN CCc1ccc(CNCc2ccccc2C)cc1 ZINC000033468775 386838543 /nfs/dbraw/zinc/83/85/43/386838543.db2.gz MWBDHDJXTZTYNE-UHFFFAOYSA-N 0 3 239.362 3.847 20 0 BHADHN NC1(c2nc(-c3ccccc3)cs2)CCCC1 ZINC000033487360 181335451 /nfs/dbraw/zinc/33/54/51/181335451.db2.gz IQAPWJNFSIUBRV-UHFFFAOYSA-N 0 3 244.363 3.538 20 0 BHADHN C/C(=C\c1ccccc1)CNCc1ccccc1 ZINC000033665670 355576625 /nfs/dbraw/zinc/57/66/25/355576625.db2.gz ZLEKSEOXUBSGPJ-NTCAYCPXSA-N 0 3 237.346 3.880 20 0 BHADHN C/C(=C/c1ccccc1)CNCc1ccccc1 ZINC000033665672 323188182 /nfs/dbraw/zinc/18/81/82/323188182.db2.gz ZLEKSEOXUBSGPJ-QINSGFPZSA-N 0 3 237.346 3.880 20 0 BHADHN Cc1ccccc1CN1CCc2sccc2C1 ZINC000033756565 360449830 /nfs/dbraw/zinc/44/98/30/360449830.db2.gz MQZTYXPSOUASNZ-UHFFFAOYSA-N 0 3 243.375 3.615 20 0 BHADHN C[C@@H](c1ccccc1Cl)N1CCCCC1 ZINC000033867366 176023969 /nfs/dbraw/zinc/02/39/69/176023969.db2.gz PEXVOEOVJRGWTD-NSHDSACASA-N 0 3 223.747 3.887 20 0 BHADHN C[C@H](c1ccccc1Cl)N1CCCCC1 ZINC000033867367 177041803 /nfs/dbraw/zinc/04/18/03/177041803.db2.gz PEXVOEOVJRGWTD-LLVKDONJSA-N 0 3 223.747 3.887 20 0 BHADHN CC[C@@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000033868180 345154879 /nfs/dbraw/zinc/15/48/79/345154879.db2.gz GDOPBLHRABTNJI-ZDUSSCGKSA-N 0 3 223.747 3.887 20 0 BHADHN CC[C@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000033868181 345154430 /nfs/dbraw/zinc/15/44/30/345154430.db2.gz GDOPBLHRABTNJI-CYBMUJFWSA-N 0 3 223.747 3.887 20 0 BHADHN Clc1ccc(CN[C@H]2C=CCCC2)cc1 ZINC000034070217 387015687 /nfs/dbraw/zinc/01/56/87/387015687.db2.gz DYQXLNFFXFNAOA-ZDUSSCGKSA-N 0 3 221.731 3.538 20 0 BHADHN Clc1ccc(CN[C@@H]2C=CCCC2)cc1 ZINC000034070218 387015565 /nfs/dbraw/zinc/01/55/65/387015565.db2.gz DYQXLNFFXFNAOA-CYBMUJFWSA-N 0 3 221.731 3.538 20 0 BHADHN C#CC[C@H](NCc1ccccc1)c1ccccc1 ZINC000034146896 646279774 /nfs/dbraw/zinc/27/97/74/646279774.db2.gz RWSFYUMKXGKZDN-KRWDZBQOSA-N 0 3 235.330 3.541 20 0 BHADHN C#CC[C@@H](NCc1ccccc1)c1ccccc1 ZINC000034146897 646259341 /nfs/dbraw/zinc/25/93/41/646259341.db2.gz RWSFYUMKXGKZDN-QGZVFWFLSA-N 0 3 235.330 3.541 20 0 BHADHN CCN(CC)Cc1cc(Cl)cc(Cl)c1 ZINC000034182068 355804317 /nfs/dbraw/zinc/80/43/17/355804317.db2.gz VMWZBMQEXNNCAS-UHFFFAOYSA-N 0 3 232.154 3.835 20 0 BHADHN C[C@@H](c1ccccc1)N(C)Cc1ccccc1 ZINC000034411112 350265309 /nfs/dbraw/zinc/26/53/09/350265309.db2.gz WKZKTYMPZABIEF-AWEZNQCLSA-N 0 3 225.335 3.880 20 0 BHADHN C[C@H](c1ccccc1)N(C)Cc1ccccc1 ZINC000034411113 350264834 /nfs/dbraw/zinc/26/48/34/350264834.db2.gz WKZKTYMPZABIEF-CQSZACIVSA-N 0 3 225.335 3.880 20 0 BHADHN CC(C)CCOc1ccccc1CNC(C)C ZINC000034658863 386469870 /nfs/dbraw/zinc/46/98/70/386469870.db2.gz QNFKBAAMRKGQPZ-UHFFFAOYSA-N 0 3 235.371 3.610 20 0 BHADHN Cc1cc([C@@H](C)NCc2cccs2)c(C)o1 ZINC000034956892 178229134 /nfs/dbraw/zinc/22/91/34/178229134.db2.gz VQSUPDQZQUYZSS-SNVBAGLBSA-N 0 3 235.352 3.809 20 0 BHADHN Cc1cc([C@H](C)NCc2cccs2)c(C)o1 ZINC000034956893 178252211 /nfs/dbraw/zinc/25/22/11/178252211.db2.gz VQSUPDQZQUYZSS-JTQLQIEISA-N 0 3 235.352 3.809 20 0 BHADHN Cc1cc(C)c(CNCc2ccccc2)cc1C ZINC000034990820 387004307 /nfs/dbraw/zinc/00/43/07/387004307.db2.gz SRGIRHIFKVAVRC-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1ccc(CNCc2ccc(F)cc2)cc1C ZINC000034991591 636351113 /nfs/dbraw/zinc/35/11/13/636351113.db2.gz MXZVIYNJUMAWQM-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1ccc(CNCc2ccc(C)c(C)c2)cc1 ZINC000034991873 178614963 /nfs/dbraw/zinc/61/49/63/178614963.db2.gz GPNAMWPIMOCBHS-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1ccc(CNCc2cccs2)cc1C ZINC000034991918 343282676 /nfs/dbraw/zinc/28/26/76/343282676.db2.gz HXPAHNDSKIVXFW-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2cccnc2)cc1C ZINC000034993501 343282526 /nfs/dbraw/zinc/28/25/26/343282526.db2.gz YCYLZLNBHVLOJH-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(CN[C@H](C)c2cccnc2)cc1C ZINC000034993502 343282886 /nfs/dbraw/zinc/28/28/86/343282886.db2.gz YCYLZLNBHVLOJH-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN c1coc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000034994351 387025205 /nfs/dbraw/zinc/02/52/05/387025205.db2.gz BRKMWHKPIJWKKM-BFHYXJOUSA-N 0 3 233.355 3.728 20 0 BHADHN c1coc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000034994353 387025577 /nfs/dbraw/zinc/02/55/77/387025577.db2.gz BRKMWHKPIJWKKM-MGPQQGTHSA-N 0 3 233.355 3.728 20 0 BHADHN CCCCCC[C@@H](C)NCc1csc(C)n1 ZINC000034995424 636354348 /nfs/dbraw/zinc/35/43/48/636354348.db2.gz QVTFUWFVCAKGTL-LLVKDONJSA-N 0 3 240.416 3.900 20 0 BHADHN CCCCCC[C@H](C)NCc1csc(C)n1 ZINC000034995425 636355018 /nfs/dbraw/zinc/35/50/18/636355018.db2.gz QVTFUWFVCAKGTL-NSHDSACASA-N 0 3 240.416 3.900 20 0 BHADHN C[C@H](N[C@@H]1CCSC1)c1cc2ccccc2o1 ZINC000035011435 343282834 /nfs/dbraw/zinc/28/28/34/343282834.db2.gz SEVUKSSYMWIUMI-CMPLNLGQSA-N 0 3 247.363 3.589 20 0 BHADHN C[C@@H](N[C@@H]1CCSC1)c1cc2ccccc2o1 ZINC000035011437 343282805 /nfs/dbraw/zinc/28/28/05/343282805.db2.gz SEVUKSSYMWIUMI-ZYHUDNBSSA-N 0 3 247.363 3.589 20 0 BHADHN C[C@H](N[C@H]1CCSC1)c1cc2ccccc2o1 ZINC000035011439 343282625 /nfs/dbraw/zinc/28/26/25/343282625.db2.gz SEVUKSSYMWIUMI-JQWIXIFHSA-N 0 3 247.363 3.589 20 0 BHADHN C[C@@H](N[C@H]1CCSC1)c1cc2ccccc2o1 ZINC000035011441 343282877 /nfs/dbraw/zinc/28/28/77/343282877.db2.gz SEVUKSSYMWIUMI-PWSUYJOCSA-N 0 3 247.363 3.589 20 0 BHADHN CC[C@@H](C)NCc1ccc(CSC(F)F)o1 ZINC000035014386 188285373 /nfs/dbraw/zinc/28/53/73/188285373.db2.gz HWRVSNDXRAHIDO-MRVPVSSYSA-N 0 3 249.326 3.624 20 0 BHADHN CC[C@H](C)NCc1ccc(CSC(F)F)o1 ZINC000035014387 171343174 /nfs/dbraw/zinc/34/31/74/171343174.db2.gz HWRVSNDXRAHIDO-QMMMGPOBSA-N 0 3 249.326 3.624 20 0 BHADHN CCCCNCc1ccc(CSC(F)F)o1 ZINC000035014510 383824097 /nfs/dbraw/zinc/82/40/97/383824097.db2.gz OISKTYZJYTVIOA-UHFFFAOYSA-N 0 3 249.326 3.625 20 0 BHADHN CSCCCN[C@@H](C)c1cc2ccccc2o1 ZINC000035015305 387129997 /nfs/dbraw/zinc/12/99/97/387129997.db2.gz NLTUXEQCJSVQIU-NSHDSACASA-N 0 3 249.379 3.837 20 0 BHADHN CSCCCN[C@H](C)c1cc2ccccc2o1 ZINC000035015309 387130009 /nfs/dbraw/zinc/13/00/09/387130009.db2.gz NLTUXEQCJSVQIU-LLVKDONJSA-N 0 3 249.379 3.837 20 0 BHADHN CC(C)[C@H](NCc1ccccn1)c1ccccc1 ZINC000035015791 383824843 /nfs/dbraw/zinc/82/48/43/383824843.db2.gz PRTTUVHDSPQWKI-INIZCTEOSA-N 0 3 240.350 3.569 20 0 BHADHN CC(C)[C@@H](NCc1ccccn1)c1ccccc1 ZINC000035015794 383825872 /nfs/dbraw/zinc/82/58/72/383825872.db2.gz PRTTUVHDSPQWKI-MRXNPFEDSA-N 0 3 240.350 3.569 20 0 BHADHN CC(C)[C@H](NCc1cccnc1)c1ccccc1 ZINC000035015804 343283301 /nfs/dbraw/zinc/28/33/01/343283301.db2.gz OONNYZDBVBLKTL-INIZCTEOSA-N 0 3 240.350 3.569 20 0 BHADHN CC(C)[C@@H](NCc1cccnc1)c1ccccc1 ZINC000035015807 383824194 /nfs/dbraw/zinc/82/41/94/383824194.db2.gz OONNYZDBVBLKTL-MRXNPFEDSA-N 0 3 240.350 3.569 20 0 BHADHN CC(C)[C@H](NCc1ccco1)c1ccccc1 ZINC000035015869 343283217 /nfs/dbraw/zinc/28/32/17/343283217.db2.gz HFYWUXKIEHKTGO-HNNXBMFYSA-N 0 3 229.323 3.767 20 0 BHADHN CC(C)[C@@H](NCc1ccco1)c1ccccc1 ZINC000035015872 383823805 /nfs/dbraw/zinc/82/38/05/383823805.db2.gz HFYWUXKIEHKTGO-OAHLLOKOSA-N 0 3 229.323 3.767 20 0 BHADHN CC(C)[C@H](NCc1ccncc1)c1ccccc1 ZINC000035016064 343283079 /nfs/dbraw/zinc/28/30/79/343283079.db2.gz ONTCQROALYXGSA-INIZCTEOSA-N 0 3 240.350 3.569 20 0 BHADHN CC(C)[C@@H](NCc1ccncc1)c1ccccc1 ZINC000035016067 383825191 /nfs/dbraw/zinc/82/51/91/383825191.db2.gz ONTCQROALYXGSA-MRXNPFEDSA-N 0 3 240.350 3.569 20 0 BHADHN CCN[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000035045542 387551841 /nfs/dbraw/zinc/55/18/41/387551841.db2.gz BZOLBRRJAXQEGH-LURJTMIESA-N 0 3 236.117 3.803 20 0 BHADHN CCN[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000035045543 262837345 /nfs/dbraw/zinc/83/73/45/262837345.db2.gz BZOLBRRJAXQEGH-ZCFIWIBFSA-N 0 3 236.117 3.803 20 0 BHADHN c1csc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000035053153 183430723 /nfs/dbraw/zinc/43/07/23/183430723.db2.gz LIFNFSUHKLSTNN-HNNXBMFYSA-N 0 3 243.375 3.989 20 0 BHADHN CCNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000035101351 170107119 /nfs/dbraw/zinc/10/71/19/170107119.db2.gz DHLIWXXLWAOVAU-UHFFFAOYSA-N 0 3 247.288 3.664 20 0 BHADHN CCN[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000035102088 170148657 /nfs/dbraw/zinc/14/86/57/170148657.db2.gz NUIQJMMNCZWGES-INIZCTEOSA-N 0 3 225.335 3.694 20 0 BHADHN CCN[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000035102089 170164914 /nfs/dbraw/zinc/16/49/14/170164914.db2.gz NUIQJMMNCZWGES-MRXNPFEDSA-N 0 3 225.335 3.694 20 0 BHADHN CCN[C@@H](c1ccccc1)c1ccccc1C ZINC000035102090 170148772 /nfs/dbraw/zinc/14/87/72/170148772.db2.gz HGGBOQFVGGBQRM-INIZCTEOSA-N 0 3 225.335 3.694 20 0 BHADHN CCN[C@H](c1ccccc1)c1ccccc1C ZINC000035102091 170164741 /nfs/dbraw/zinc/16/47/41/170164741.db2.gz HGGBOQFVGGBQRM-MRXNPFEDSA-N 0 3 225.335 3.694 20 0 BHADHN CCN[C@H](c1cccs1)c1ccc(F)cc1 ZINC000035117217 357971084 /nfs/dbraw/zinc/97/10/84/357971084.db2.gz NUNILXNLYICWKJ-ZDUSSCGKSA-N 0 3 235.327 3.586 20 0 BHADHN CCN[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000035117219 357971046 /nfs/dbraw/zinc/97/10/46/357971046.db2.gz NUNILXNLYICWKJ-CYBMUJFWSA-N 0 3 235.327 3.586 20 0 BHADHN C[C@H](NCCc1ccco1)c1ccccc1Cl ZINC000035121838 387553352 /nfs/dbraw/zinc/55/33/52/387553352.db2.gz DHQHQZHINJNRRY-NSHDSACASA-N 0 3 249.741 3.826 20 0 BHADHN C[C@@H](NCCc1ccco1)c1ccccc1Cl ZINC000035121839 387553803 /nfs/dbraw/zinc/55/38/03/387553803.db2.gz DHQHQZHINJNRRY-LLVKDONJSA-N 0 3 249.741 3.826 20 0 BHADHN CCCCC[C@@H](C)NCc1csc(C)n1 ZINC000035135756 342883621 /nfs/dbraw/zinc/88/36/21/342883621.db2.gz NMTQZBDEOTXACN-SNVBAGLBSA-N 0 3 226.389 3.510 20 0 BHADHN CCCCC[C@H](C)NCc1csc(C)n1 ZINC000035135758 342883582 /nfs/dbraw/zinc/88/35/82/342883582.db2.gz NMTQZBDEOTXACN-JTQLQIEISA-N 0 3 226.389 3.510 20 0 BHADHN C[C@H](NCc1ccc(Cl)cc1Cl)C1CC1 ZINC000035136417 386436744 /nfs/dbraw/zinc/43/67/44/386436744.db2.gz LKIPCBJCQOSKSG-QMMMGPOBSA-N 0 3 244.165 3.882 20 0 BHADHN C[C@@H](NCc1ccc(Cl)cc1Cl)C1CC1 ZINC000035136418 386438197 /nfs/dbraw/zinc/43/81/97/386438197.db2.gz LKIPCBJCQOSKSG-MRVPVSSYSA-N 0 3 244.165 3.882 20 0 BHADHN CCOCCN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000035151195 387555823 /nfs/dbraw/zinc/55/58/23/387555823.db2.gz ZPBOWXFICBEAQU-AWEZNQCLSA-N 0 3 249.398 3.572 20 0 BHADHN CCOCCN[C@H](C)c1ccc(CC(C)C)cc1 ZINC000035151196 387555424 /nfs/dbraw/zinc/55/54/24/387555424.db2.gz ZPBOWXFICBEAQU-CQSZACIVSA-N 0 3 249.398 3.572 20 0 BHADHN CCOCCN[C@@H](C)c1ccc2ccccc2c1 ZINC000035151221 387554906 /nfs/dbraw/zinc/55/49/06/387554906.db2.gz VXHNTSVNUQYEIS-ZDUSSCGKSA-N 0 3 243.350 3.527 20 0 BHADHN CCOCCN[C@H](C)c1ccc2ccccc2c1 ZINC000035151222 387555355 /nfs/dbraw/zinc/55/53/55/387555355.db2.gz VXHNTSVNUQYEIS-CYBMUJFWSA-N 0 3 243.350 3.527 20 0 BHADHN CCC[C@@H](C)NCc1cc(Cl)ccc1OC ZINC000035180111 169370787 /nfs/dbraw/zinc/37/07/87/169370787.db2.gz YUQZYBUTUVGAED-SNVBAGLBSA-N 0 3 241.762 3.627 20 0 BHADHN CCC[C@H](C)NCc1cc(Cl)ccc1OC ZINC000035180112 384017926 /nfs/dbraw/zinc/01/79/26/384017926.db2.gz YUQZYBUTUVGAED-JTQLQIEISA-N 0 3 241.762 3.627 20 0 BHADHN CCCCNc1cc(C)nc2ccccc21 ZINC000035206345 387562430 /nfs/dbraw/zinc/56/24/30/387562430.db2.gz YOYGPLLMOVGOFJ-UHFFFAOYSA-N 0 3 214.312 3.755 20 0 BHADHN Cc1cc(NC2CCCC2)c2ccccc2n1 ZINC000035206361 178154745 /nfs/dbraw/zinc/15/47/45/178154745.db2.gz ZFIXPLJUWNHPQC-UHFFFAOYSA-N 0 3 226.323 3.898 20 0 BHADHN CC1CCC(NCc2cccc(F)c2F)CC1 ZINC000035223283 356420460 /nfs/dbraw/zinc/42/04/60/356420460.db2.gz TYEAJISGXCKEFB-UHFFFAOYSA-N 0 3 239.309 3.633 20 0 BHADHN Fc1cccc(CNCC2CCCCC2)c1F ZINC000035223465 356420351 /nfs/dbraw/zinc/42/03/51/356420351.db2.gz QTMRUZPHWFYWQK-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN Fc1cccc(CNC2CCCCCC2)c1F ZINC000035223680 262842144 /nfs/dbraw/zinc/84/21/44/262842144.db2.gz OVJHGABTUUTUQY-UHFFFAOYSA-N 0 3 239.309 3.777 20 0 BHADHN Cc1cccc(CNCc2ccc(C)c(C)c2)c1 ZINC000035230231 179093489 /nfs/dbraw/zinc/09/34/89/179093489.db2.gz NTPTZVIQPDRDOH-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1cc(NCC2CCC2)c2ccccc2n1 ZINC000035234517 178158813 /nfs/dbraw/zinc/15/88/13/178158813.db2.gz QHHBDZJUMVNFCB-UHFFFAOYSA-N 0 3 226.323 3.755 20 0 BHADHN CCCNCc1ccc(-c2ccc(C)cc2)o1 ZINC000035250204 387560298 /nfs/dbraw/zinc/56/02/98/387560298.db2.gz HPYUAKMNBVTQIM-UHFFFAOYSA-N 0 3 229.323 3.755 20 0 BHADHN Cc1ccc(-c2ccc(CNC3CC3)o2)cc1 ZINC000035250206 178324684 /nfs/dbraw/zinc/32/46/84/178324684.db2.gz PKBQONCAVOGBFJ-UHFFFAOYSA-N 0 3 227.307 3.507 20 0 BHADHN Cc1ccc(-c2ccc(CNC(C)C)o2)cc1 ZINC000035250208 387560768 /nfs/dbraw/zinc/56/07/68/387560768.db2.gz BICLMQNRRJPLNB-UHFFFAOYSA-N 0 3 229.323 3.753 20 0 BHADHN Cc1ccc(CNCc2cccc(F)c2)cc1C ZINC000035254849 646132918 /nfs/dbraw/zinc/13/29/18/646132918.db2.gz CJBNSHPTMGNSBA-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1NCc1csc(C)n1 ZINC000035257099 358456648 /nfs/dbraw/zinc/45/66/48/358456648.db2.gz SXRBTXHPCQGRDL-YPMHNXCESA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCCC[C@@H]1NCc1csc(C)n1 ZINC000035257100 358456694 /nfs/dbraw/zinc/45/66/94/358456694.db2.gz SXRBTXHPCQGRDL-AAEUAGOBSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H]1CCCC[C@H]1NCc1csc(C)n1 ZINC000035257101 346227383 /nfs/dbraw/zinc/22/73/83/346227383.db2.gz SXRBTXHPCQGRDL-DGCLKSJQSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCCC[C@H]1NCc1csc(C)n1 ZINC000035257102 346227351 /nfs/dbraw/zinc/22/73/51/346227351.db2.gz SXRBTXHPCQGRDL-WCQYABFASA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CNC(C)(C)CC(C)(C)C)cs1 ZINC000035257292 387562240 /nfs/dbraw/zinc/56/22/40/387562240.db2.gz WPPIUNWYCAWYNF-UHFFFAOYSA-N 0 3 240.416 3.756 20 0 BHADHN Cc1cccc(C)c1CNCc1ccccc1 ZINC000035260875 179037335 /nfs/dbraw/zinc/03/73/35/179037335.db2.gz IANVWELCNAWWRB-UHFFFAOYSA-N 0 3 225.335 3.593 20 0 BHADHN CN(C)Cc1cccc(NCC2CCCCC2)c1 ZINC000035275926 387565244 /nfs/dbraw/zinc/56/52/44/387565244.db2.gz HBZMDCWGQFJUKL-UHFFFAOYSA-N 0 3 246.398 3.740 20 0 BHADHN CN[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000035465341 387575236 /nfs/dbraw/zinc/57/52/36/387575236.db2.gz XDHJQYZJWDEKQQ-AWEZNQCLSA-N 0 3 231.726 3.649 20 0 BHADHN CN[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000035465344 387575081 /nfs/dbraw/zinc/57/50/81/387575081.db2.gz XDHJQYZJWDEKQQ-CQSZACIVSA-N 0 3 231.726 3.649 20 0 BHADHN Fc1ccc(CNC/C=C\c2ccccc2)cc1 ZINC000035535578 387575946 /nfs/dbraw/zinc/57/59/46/387575946.db2.gz WXHXLHFJBLIGHW-DAXSKMNVSA-N 0 3 241.309 3.629 20 0 BHADHN Cc1ccc(CNC/C=C\c2ccccc2)cc1 ZINC000035539900 387576530 /nfs/dbraw/zinc/57/65/30/387576530.db2.gz WHWMJICALPJXQI-YVMONPNESA-N 0 3 237.346 3.798 20 0 BHADHN CCN[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000035540600 170148436 /nfs/dbraw/zinc/14/84/36/170148436.db2.gz RUXSSXMAJFMQEJ-HNNXBMFYSA-N 0 3 229.298 3.525 20 0 BHADHN CCN[C@H](c1ccccc1)c1cccc(F)c1 ZINC000035540602 170165297 /nfs/dbraw/zinc/16/52/97/170165297.db2.gz RUXSSXMAJFMQEJ-OAHLLOKOSA-N 0 3 229.298 3.525 20 0 BHADHN CCN[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000035547324 387577795 /nfs/dbraw/zinc/57/77/95/387577795.db2.gz BDJSAYAFWGBIKR-LBPRGKRZSA-N 0 3 227.298 3.662 20 0 BHADHN CCN[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000035547326 387576512 /nfs/dbraw/zinc/57/65/12/387576512.db2.gz BDJSAYAFWGBIKR-GFCCVEGCSA-N 0 3 227.298 3.662 20 0 BHADHN CCN[C@@H](C)c1cc(Cl)sc1Cl ZINC000035559360 170140710 /nfs/dbraw/zinc/14/07/10/170140710.db2.gz MKYXSRVARNSYBE-YFKPBYRVSA-N 0 3 224.156 3.725 20 0 BHADHN CCN[C@H](C)c1cc(Cl)sc1Cl ZINC000035559362 170159129 /nfs/dbraw/zinc/15/91/29/170159129.db2.gz MKYXSRVARNSYBE-RXMQYKEDSA-N 0 3 224.156 3.725 20 0 BHADHN CCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000035575036 169278167 /nfs/dbraw/zinc/27/81/67/169278167.db2.gz YLCAPIXTOZLOKL-NSHDSACASA-N 0 3 249.251 3.819 20 0 BHADHN CCCN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000035575038 169288586 /nfs/dbraw/zinc/28/85/86/169288586.db2.gz YLCAPIXTOZLOKL-LLVKDONJSA-N 0 3 249.251 3.819 20 0 BHADHN CCCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000035576129 169278152 /nfs/dbraw/zinc/27/81/52/169278152.db2.gz SAOBSWXGGPYQIH-NSHDSACASA-N 0 3 231.261 3.680 20 0 BHADHN CCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000035576132 169288139 /nfs/dbraw/zinc/28/81/39/169288139.db2.gz SAOBSWXGGPYQIH-LLVKDONJSA-N 0 3 231.261 3.680 20 0 BHADHN CCCN[C@@H](CCC)c1ccc(F)cc1F ZINC000035581916 169278197 /nfs/dbraw/zinc/27/81/97/169278197.db2.gz IDJHOQJDTHSHIJ-ZDUSSCGKSA-N 0 3 227.298 3.806 20 0 BHADHN CCCN[C@H](CCC)c1ccc(F)cc1F ZINC000035581917 169288889 /nfs/dbraw/zinc/28/88/89/169288889.db2.gz IDJHOQJDTHSHIJ-CYBMUJFWSA-N 0 3 227.298 3.806 20 0 BHADHN CC[C@H](NC)c1ccc(Cl)cc1Cl ZINC000035624733 342753510 /nfs/dbraw/zinc/75/35/10/342753510.db2.gz XUQVHCLROVKYMR-JTQLQIEISA-N 0 3 218.127 3.664 20 0 BHADHN CC[C@@H](NC)c1ccc(Cl)cc1Cl ZINC000035624735 384086587 /nfs/dbraw/zinc/08/65/87/384086587.db2.gz XUQVHCLROVKYMR-SNVBAGLBSA-N 0 3 218.127 3.664 20 0 BHADHN CCc1ccc(CN[C@@H](C)c2cccnc2)s1 ZINC000035692104 383869918 /nfs/dbraw/zinc/86/99/18/383869918.db2.gz VJAWUCDTLFDODW-NSHDSACASA-N 0 3 246.379 3.556 20 0 BHADHN CCc1ccc(CN[C@H](C)c2cccnc2)s1 ZINC000035692105 383870226 /nfs/dbraw/zinc/87/02/26/383870226.db2.gz VJAWUCDTLFDODW-LLVKDONJSA-N 0 3 246.379 3.556 20 0 BHADHN CCc1ccc(CN[C@@H](C)c2ccncc2)s1 ZINC000035693415 383870586 /nfs/dbraw/zinc/87/05/86/383870586.db2.gz RSYYZFSRGUYNTN-NSHDSACASA-N 0 3 246.379 3.556 20 0 BHADHN CCc1ccc(CN[C@H](C)c2ccncc2)s1 ZINC000035693417 383868290 /nfs/dbraw/zinc/86/82/90/383868290.db2.gz RSYYZFSRGUYNTN-LLVKDONJSA-N 0 3 246.379 3.556 20 0 BHADHN C[C@H](N[C@H](c1ccco1)c1ccccc1)C1CC1 ZINC000035733067 383872783 /nfs/dbraw/zinc/87/27/83/383872783.db2.gz WEOOSWMYHNFZEK-LRDDRELGSA-N 0 3 241.334 3.757 20 0 BHADHN C[C@@H](N[C@H](c1ccco1)c1ccccc1)C1CC1 ZINC000035733068 343302758 /nfs/dbraw/zinc/30/27/58/343302758.db2.gz WEOOSWMYHNFZEK-WBMJQRKESA-N 0 3 241.334 3.757 20 0 BHADHN C[C@H](N[C@@H](c1ccco1)c1ccccc1)C1CC1 ZINC000035733069 343302854 /nfs/dbraw/zinc/30/28/54/343302854.db2.gz WEOOSWMYHNFZEK-BLLLJJGKSA-N 0 3 241.334 3.757 20 0 BHADHN C[C@@H](N[C@@H](c1ccco1)c1ccccc1)C1CC1 ZINC000035733070 343302840 /nfs/dbraw/zinc/30/28/40/343302840.db2.gz WEOOSWMYHNFZEK-MLGOLLRUSA-N 0 3 241.334 3.757 20 0 BHADHN Clc1ccc2c(c1)[C@H](NC1CC1)CCS2 ZINC000035759998 342892297 /nfs/dbraw/zinc/89/22/97/342892297.db2.gz UHJYZFBUPXETEJ-LLVKDONJSA-N 0 3 239.771 3.629 20 0 BHADHN Clc1ccc2c(c1)[C@@H](NC1CC1)CCS2 ZINC000035760002 342892673 /nfs/dbraw/zinc/89/26/73/342892673.db2.gz UHJYZFBUPXETEJ-NSHDSACASA-N 0 3 239.771 3.629 20 0 BHADHN Clc1cccc2c1SCC[C@@H]2NC1CC1 ZINC000035760177 538957805 /nfs/dbraw/zinc/95/78/05/538957805.db2.gz LQXBWHMOFLRABM-NSHDSACASA-N 0 3 239.771 3.629 20 0 BHADHN Clc1cccc2c1SCC[C@H]2NC1CC1 ZINC000035760179 538957895 /nfs/dbraw/zinc/95/78/95/538957895.db2.gz LQXBWHMOFLRABM-LLVKDONJSA-N 0 3 239.771 3.629 20 0 BHADHN Cc1cc2c(cc1C)[C@@H](NC1CC1)CCS2 ZINC000035762467 178286690 /nfs/dbraw/zinc/28/66/90/178286690.db2.gz NKYVSZCNMVYHJN-ZDUSSCGKSA-N 0 3 233.380 3.592 20 0 BHADHN Cc1cc2c(cc1C)[C@H](NC1CC1)CCS2 ZINC000035762468 178287698 /nfs/dbraw/zinc/28/76/98/178287698.db2.gz NKYVSZCNMVYHJN-CYBMUJFWSA-N 0 3 233.380 3.592 20 0 BHADHN CCCCc1ccc([C@@H](C)NCCOCC)cc1 ZINC000036228335 387583466 /nfs/dbraw/zinc/58/34/66/387583466.db2.gz CMEYPKCMWCUCBU-CQSZACIVSA-N 0 3 249.398 3.716 20 0 BHADHN CCCCc1ccc([C@H](C)NCCOCC)cc1 ZINC000036228337 387582618 /nfs/dbraw/zinc/58/26/18/387582618.db2.gz CMEYPKCMWCUCBU-AWEZNQCLSA-N 0 3 249.398 3.716 20 0 BHADHN CCOCCN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000036229141 262849249 /nfs/dbraw/zinc/84/92/49/262849249.db2.gz HSLSDESEIKYVNU-ZDUSSCGKSA-N 0 3 249.398 3.671 20 0 BHADHN CCOCCN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000036229144 387583521 /nfs/dbraw/zinc/58/35/21/387583521.db2.gz HSLSDESEIKYVNU-CYBMUJFWSA-N 0 3 249.398 3.671 20 0 BHADHN Cc1ccc([C@@H](C)NCCc2cccc(F)c2)o1 ZINC000036778707 387555979 /nfs/dbraw/zinc/55/59/79/387555979.db2.gz YQDUVAJPZUEHDM-GFCCVEGCSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1ccc([C@H](C)NCCc2cccc(F)c2)o1 ZINC000036778708 387554717 /nfs/dbraw/zinc/55/47/17/387554717.db2.gz YQDUVAJPZUEHDM-LBPRGKRZSA-N 0 3 247.313 3.620 20 0 BHADHN CCNCc1ccc(-c2ccc(CC)cc2)o1 ZINC000036818953 323684391 /nfs/dbraw/zinc/68/43/91/323684391.db2.gz KSBCUPLDGAAZRC-UHFFFAOYSA-N 0 3 229.323 3.619 20 0 BHADHN CCc1ccc(-c2ccc(CNC3CC3)o2)cc1 ZINC000036818959 387702127 /nfs/dbraw/zinc/70/21/27/387702127.db2.gz YCCFLRPWDMMUBL-UHFFFAOYSA-N 0 3 241.334 3.761 20 0 BHADHN CCNCc1ccc(-c2ccc(F)cc2C)o1 ZINC000036819049 170126145 /nfs/dbraw/zinc/12/61/45/170126145.db2.gz OHNVOYWIILCXKA-UHFFFAOYSA-N 0 3 233.286 3.504 20 0 BHADHN CCCNCc1ccc(-c2ccc(F)cc2C)o1 ZINC000036819051 169267321 /nfs/dbraw/zinc/26/73/21/169267321.db2.gz FSIDGTQMLBDRRO-UHFFFAOYSA-N 0 3 247.313 3.894 20 0 BHADHN Cc1cc(F)ccc1-c1ccc(CNC(C)C)o1 ZINC000036819052 178080122 /nfs/dbraw/zinc/08/01/22/178080122.db2.gz MTCTVJDEEQSZFF-UHFFFAOYSA-N 0 3 247.313 3.892 20 0 BHADHN Cc1cc(F)ccc1-c1ccc(CNC2CC2)o1 ZINC000036819054 178081254 /nfs/dbraw/zinc/08/12/54/178081254.db2.gz HIIFEWCEFNXOIZ-UHFFFAOYSA-N 0 3 245.297 3.646 20 0 BHADHN Cc1ccc(C2CC(NCc3ccco3)C2)cc1 ZINC000036840717 387772556 /nfs/dbraw/zinc/77/25/56/387772556.db2.gz NCNMZJIQVBXJBT-UHFFFAOYSA-N 0 3 241.334 3.624 20 0 BHADHN Cc1ccccc1C1CC(NCc2ccco2)C1 ZINC000036840726 179256663 /nfs/dbraw/zinc/25/66/63/179256663.db2.gz ACLGNSCXJUAVKA-UHFFFAOYSA-N 0 3 241.334 3.624 20 0 BHADHN C[C@@H]1CCC[C@H](NCc2cccc(F)c2F)C1 ZINC000036888556 358055914 /nfs/dbraw/zinc/05/59/14/358055914.db2.gz FEAKRFDTZHUBNG-PWSUYJOCSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CCC[C@H](NCc2cccc(F)c2F)C1 ZINC000036888558 358055821 /nfs/dbraw/zinc/05/58/21/358055821.db2.gz FEAKRFDTZHUBNG-JQWIXIFHSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H]1CCC[C@@H](NCc2cccc(F)c2F)C1 ZINC000036888560 358055927 /nfs/dbraw/zinc/05/59/27/358055927.db2.gz FEAKRFDTZHUBNG-ZYHUDNBSSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CCC[C@@H](NCc2cccc(F)c2F)C1 ZINC000036888562 358055811 /nfs/dbraw/zinc/05/58/11/358055811.db2.gz FEAKRFDTZHUBNG-CMPLNLGQSA-N 0 3 239.309 3.633 20 0 BHADHN CC(C)[C@H](C)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000036903897 347970160 /nfs/dbraw/zinc/97/01/60/347970160.db2.gz CWBWGOSCQGLMAX-MDZLAQPJSA-N 0 3 221.344 3.537 20 0 BHADHN CC(C)[C@H](C)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000036903898 347969911 /nfs/dbraw/zinc/96/99/11/347969911.db2.gz CWBWGOSCQGLMAX-NTZNESFSSA-N 0 3 221.344 3.537 20 0 BHADHN Cc1nc([C@@H](C)NC2CCC(C)CC2)cs1 ZINC000036914533 180036215 /nfs/dbraw/zinc/03/62/15/180036215.db2.gz WLFMEAAIWQTWHO-SQLBVSGCSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)NC2CCC(C)CC2)cs1 ZINC000036914534 180049398 /nfs/dbraw/zinc/04/93/98/180049398.db2.gz WLFMEAAIWQTWHO-YZRBJQDESA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@@H]2CCCC[C@@H]2C)cs1 ZINC000036914566 180051828 /nfs/dbraw/zinc/05/18/28/180051828.db2.gz QFWSOMTUCLTMGJ-JBLDHEPKSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@H]2CCCC[C@@H]2C)cs1 ZINC000036914568 180051416 /nfs/dbraw/zinc/05/14/16/180051416.db2.gz QFWSOMTUCLTMGJ-NHCYSSNCSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@@H](C)NC2CCCCCC2)cs1 ZINC000036914673 180035446 /nfs/dbraw/zinc/03/54/46/180035446.db2.gz KQYNYBHCLUQFJQ-SNVBAGLBSA-N 0 3 238.400 3.825 20 0 BHADHN Cc1nc([C@H](C)NC2CCCCCC2)cs1 ZINC000036914674 180048272 /nfs/dbraw/zinc/04/82/72/180048272.db2.gz KQYNYBHCLUQFJQ-JTQLQIEISA-N 0 3 238.400 3.825 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H](C)CCC(C)C)cs1 ZINC000036914679 180038277 /nfs/dbraw/zinc/03/82/77/180038277.db2.gz JASGNRMTAZKPFF-WDEREUQCSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1nc([C@H](C)N[C@@H](C)CCC(C)C)cs1 ZINC000036914680 180050860 /nfs/dbraw/zinc/05/08/60/180050860.db2.gz JASGNRMTAZKPFF-QWRGUYRKSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1nc([C@@H](C)N[C@H](C)CCC(C)C)cs1 ZINC000036914681 180037794 /nfs/dbraw/zinc/03/77/94/180037794.db2.gz JASGNRMTAZKPFF-GHMZBOCLSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1nc([C@H](C)N[C@H](C)CCC(C)C)cs1 ZINC000036914682 180051366 /nfs/dbraw/zinc/05/13/66/180051366.db2.gz JASGNRMTAZKPFF-MNOVXSKESA-N 0 3 240.416 3.927 20 0 BHADHN CCCCCCN[C@@H](C)c1csc(C)n1 ZINC000036915373 342913735 /nfs/dbraw/zinc/91/37/35/342913735.db2.gz RFWLAOFUWDHIOE-JTQLQIEISA-N 0 3 226.389 3.682 20 0 BHADHN CCCCCCN[C@H](C)c1csc(C)n1 ZINC000036915374 342913906 /nfs/dbraw/zinc/91/39/06/342913906.db2.gz RFWLAOFUWDHIOE-SNVBAGLBSA-N 0 3 226.389 3.682 20 0 BHADHN Cc1nc([C@@H](C)NCC2CCCCC2)cs1 ZINC000036915581 180035070 /nfs/dbraw/zinc/03/50/70/180035070.db2.gz ZPTBHUNADUKTME-SNVBAGLBSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1nc([C@H](C)NCC2CCCCC2)cs1 ZINC000036915582 180049125 /nfs/dbraw/zinc/04/91/25/180049125.db2.gz ZPTBHUNADUKTME-JTQLQIEISA-N 0 3 238.400 3.682 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H](C)CC(C)C)cs1 ZINC000036915583 180037490 /nfs/dbraw/zinc/03/74/90/180037490.db2.gz AQLXACHPKATESF-VHSXEESVSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1nc([C@H](C)N[C@@H](C)CC(C)C)cs1 ZINC000036915584 180051754 /nfs/dbraw/zinc/05/17/54/180051754.db2.gz AQLXACHPKATESF-UWVGGRQHSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1nc([C@@H](C)N[C@H](C)CC(C)C)cs1 ZINC000036915585 180038331 /nfs/dbraw/zinc/03/83/31/180038331.db2.gz AQLXACHPKATESF-NXEZZACHSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1nc([C@H](C)N[C@H](C)CC(C)C)cs1 ZINC000036915586 180051006 /nfs/dbraw/zinc/05/10/06/180051006.db2.gz AQLXACHPKATESF-ZJUUUORDSA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@@H](C)CN[C@@H](C)c1cc(F)ccc1F ZINC000036921797 262907805 /nfs/dbraw/zinc/90/78/05/262907805.db2.gz NASVBDLDRJMIHM-ZJUUUORDSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@H](C)CN[C@@H](C)c1cc(F)ccc1F ZINC000036921798 387872910 /nfs/dbraw/zinc/87/29/10/387872910.db2.gz NASVBDLDRJMIHM-UWVGGRQHSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@@H](C)CN[C@H](C)c1cc(F)ccc1F ZINC000036921799 387872989 /nfs/dbraw/zinc/87/29/89/387872989.db2.gz NASVBDLDRJMIHM-NXEZZACHSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@H](C)CN[C@H](C)c1cc(F)ccc1F ZINC000036921800 387872881 /nfs/dbraw/zinc/87/28/81/387872881.db2.gz NASVBDLDRJMIHM-VHSXEESVSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC000036952701 387910038 /nfs/dbraw/zinc/91/00/38/387910038.db2.gz JOVMHYIETDXKHC-ZJUUUORDSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC000036952702 262912144 /nfs/dbraw/zinc/91/21/44/262912144.db2.gz JOVMHYIETDXKHC-UWVGGRQHSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC000036952703 387910221 /nfs/dbraw/zinc/91/02/21/387910221.db2.gz JOVMHYIETDXKHC-NXEZZACHSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC000036952704 262912046 /nfs/dbraw/zinc/91/20/46/262912046.db2.gz JOVMHYIETDXKHC-VHSXEESVSA-N 0 3 227.298 3.662 20 0 BHADHN CCC[C@@H](C)CNc1cccc(CN(C)C)c1 ZINC000036979433 388551480 /nfs/dbraw/zinc/55/14/80/388551480.db2.gz ZUVCBECIDMARSC-CYBMUJFWSA-N 0 3 234.387 3.596 20 0 BHADHN CCC[C@H](C)CNc1cccc(CN(C)C)c1 ZINC000036979435 262961849 /nfs/dbraw/zinc/96/18/49/262961849.db2.gz ZUVCBECIDMARSC-ZDUSSCGKSA-N 0 3 234.387 3.596 20 0 BHADHN CC[C@@H](C)[C@@H](C)Nc1cccc(CN(C)C)c1 ZINC000036979451 388551589 /nfs/dbraw/zinc/55/15/89/388551589.db2.gz BTCPNVZVENROMK-CHWSQXEVSA-N 0 3 234.387 3.595 20 0 BHADHN CC[C@H](C)[C@@H](C)Nc1cccc(CN(C)C)c1 ZINC000036979453 388551298 /nfs/dbraw/zinc/55/12/98/388551298.db2.gz BTCPNVZVENROMK-QWHCGFSZSA-N 0 3 234.387 3.595 20 0 BHADHN CC[C@@H](C)[C@H](C)Nc1cccc(CN(C)C)c1 ZINC000036979455 388551637 /nfs/dbraw/zinc/55/16/37/388551637.db2.gz BTCPNVZVENROMK-OLZOCXBDSA-N 0 3 234.387 3.595 20 0 BHADHN CC[C@H](C)[C@H](C)Nc1cccc(CN(C)C)c1 ZINC000036979457 262961776 /nfs/dbraw/zinc/96/17/76/262961776.db2.gz BTCPNVZVENROMK-STQMWFEESA-N 0 3 234.387 3.595 20 0 BHADHN CN(C)Cc1cccc(NC[C@H]2CC=CCC2)c1 ZINC000036979477 358465829 /nfs/dbraw/zinc/46/58/29/358465829.db2.gz RGKAIISSBQYGLP-AWEZNQCLSA-N 0 3 244.382 3.516 20 0 BHADHN CN(C)Cc1cccc(NC[C@@H]2CC=CCC2)c1 ZINC000036979479 358465871 /nfs/dbraw/zinc/46/58/71/358465871.db2.gz RGKAIISSBQYGLP-CQSZACIVSA-N 0 3 244.382 3.516 20 0 BHADHN CC1CCC(Nc2cccc(CN(C)C)c2)CC1 ZINC000036979583 388551668 /nfs/dbraw/zinc/55/16/68/388551668.db2.gz FCXWKKYWZNNPJY-UHFFFAOYSA-N 0 3 246.398 3.739 20 0 BHADHN CN(C)Cc1cccc(NC2CCCCCC2)c1 ZINC000036979585 388551148 /nfs/dbraw/zinc/55/11/48/388551148.db2.gz CKETZDOLFUGRMN-UHFFFAOYSA-N 0 3 246.398 3.883 20 0 BHADHN C[C@@H]1CCCC[C@@H]1Nc1cccc(CN(C)C)c1 ZINC000036979605 388551485 /nfs/dbraw/zinc/55/14/85/388551485.db2.gz ISENGPXNVGVTFH-CJNGLKHVSA-N 0 3 246.398 3.739 20 0 BHADHN C[C@H]1CCCC[C@@H]1Nc1cccc(CN(C)C)c1 ZINC000036979607 388551710 /nfs/dbraw/zinc/55/17/10/388551710.db2.gz ISENGPXNVGVTFH-BBRMVZONSA-N 0 3 246.398 3.739 20 0 BHADHN C[C@@H]1CCCC[C@H]1Nc1cccc(CN(C)C)c1 ZINC000036979608 388551444 /nfs/dbraw/zinc/55/14/44/388551444.db2.gz ISENGPXNVGVTFH-CZUORRHYSA-N 0 3 246.398 3.739 20 0 BHADHN C[C@H]1CCCC[C@H]1Nc1cccc(CN(C)C)c1 ZINC000036979610 388551470 /nfs/dbraw/zinc/55/14/70/388551470.db2.gz ISENGPXNVGVTFH-XJKSGUPXSA-N 0 3 246.398 3.739 20 0 BHADHN C[C@@H]1CCC[C@H](Nc2cccc(CN(C)C)c2)C1 ZINC000036979620 388551281 /nfs/dbraw/zinc/55/12/81/388551281.db2.gz WNSFCWPNBANULZ-HIFRSBDPSA-N 0 3 246.398 3.739 20 0 BHADHN C[C@H]1CCC[C@H](Nc2cccc(CN(C)C)c2)C1 ZINC000036979622 262961888 /nfs/dbraw/zinc/96/18/88/262961888.db2.gz WNSFCWPNBANULZ-ZFWWWQNUSA-N 0 3 246.398 3.739 20 0 BHADHN C[C@@H]1CCC[C@@H](Nc2cccc(CN(C)C)c2)C1 ZINC000036979624 388551311 /nfs/dbraw/zinc/55/13/11/388551311.db2.gz WNSFCWPNBANULZ-UKRRQHHQSA-N 0 3 246.398 3.739 20 0 BHADHN C[C@H]1CCC[C@@H](Nc2cccc(CN(C)C)c2)C1 ZINC000036979626 388551032 /nfs/dbraw/zinc/55/10/32/388551032.db2.gz WNSFCWPNBANULZ-DZGCQCFKSA-N 0 3 246.398 3.739 20 0 BHADHN CCC(CC)CNc1cccc(CN(C)C)c1 ZINC000036979665 388551271 /nfs/dbraw/zinc/55/12/71/388551271.db2.gz AEHPMHQJXIMDIM-UHFFFAOYSA-N 0 3 234.387 3.596 20 0 BHADHN CC(C)CC[C@@H](C)Nc1cccc(CN(C)C)c1 ZINC000036979749 388551438 /nfs/dbraw/zinc/55/14/38/388551438.db2.gz KITLSYQXHMBNGR-CQSZACIVSA-N 0 3 248.414 3.985 20 0 BHADHN CC(C)CC[C@H](C)Nc1cccc(CN(C)C)c1 ZINC000036979751 262961780 /nfs/dbraw/zinc/96/17/80/262961780.db2.gz KITLSYQXHMBNGR-AWEZNQCLSA-N 0 3 248.414 3.985 20 0 BHADHN CC(C)C[C@@H](C)Nc1cccc(CN(C)C)c1 ZINC000036979842 388551041 /nfs/dbraw/zinc/55/10/41/388551041.db2.gz YJQKGAXJDZMNID-CYBMUJFWSA-N 0 3 234.387 3.595 20 0 BHADHN CC(C)C[C@H](C)Nc1cccc(CN(C)C)c1 ZINC000036979844 388551255 /nfs/dbraw/zinc/55/12/55/388551255.db2.gz YJQKGAXJDZMNID-ZDUSSCGKSA-N 0 3 234.387 3.595 20 0 BHADHN CCc1ccc(CNCc2cccs2)s1 ZINC000036984619 384471030 /nfs/dbraw/zinc/47/10/30/384471030.db2.gz NIVOVHFYXSANJO-UHFFFAOYSA-N 0 3 237.393 3.662 20 0 BHADHN C[C@H](N[C@@H]1CCSC1)c1ccc(Cl)s1 ZINC000036992101 347998820 /nfs/dbraw/zinc/99/88/20/347998820.db2.gz VTXODTOYRUXSIO-JGVFFNPUSA-N 0 3 247.816 3.558 20 0 BHADHN C[C@@H](N[C@@H]1CCSC1)c1ccc(Cl)s1 ZINC000036992102 347999098 /nfs/dbraw/zinc/99/90/98/347999098.db2.gz VTXODTOYRUXSIO-HTQZYQBOSA-N 0 3 247.816 3.558 20 0 BHADHN C[C@H](N[C@H]1CCSC1)c1ccc(Cl)s1 ZINC000036992103 347998878 /nfs/dbraw/zinc/99/88/78/347998878.db2.gz VTXODTOYRUXSIO-YUMQZZPRSA-N 0 3 247.816 3.558 20 0 BHADHN C[C@@H](N[C@H]1CCSC1)c1ccc(Cl)s1 ZINC000036992104 347998969 /nfs/dbraw/zinc/99/89/69/347998969.db2.gz VTXODTOYRUXSIO-SFYZADRCSA-N 0 3 247.816 3.558 20 0 BHADHN C[C@@H](Cc1cccs1)N[C@@H](C)c1ccco1 ZINC000036992986 343329838 /nfs/dbraw/zinc/32/98/38/343329838.db2.gz UOAAFIUPLVJMAR-QWRGUYRKSA-N 0 3 235.352 3.623 20 0 BHADHN C[C@H](Cc1cccs1)N[C@@H](C)c1ccco1 ZINC000036992987 343329486 /nfs/dbraw/zinc/32/94/86/343329486.db2.gz UOAAFIUPLVJMAR-MNOVXSKESA-N 0 3 235.352 3.623 20 0 BHADHN C[C@@H](N[C@@H](C)Cc1cccs1)c1ccco1 ZINC000036992988 343329714 /nfs/dbraw/zinc/32/97/14/343329714.db2.gz UOAAFIUPLVJMAR-WDEREUQCSA-N 0 3 235.352 3.623 20 0 BHADHN C[C@H](Cc1cccs1)N[C@H](C)c1ccco1 ZINC000036992989 343329493 /nfs/dbraw/zinc/32/94/93/343329493.db2.gz UOAAFIUPLVJMAR-GHMZBOCLSA-N 0 3 235.352 3.623 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H](C)Cc2cccs2)o1 ZINC000036993014 388558912 /nfs/dbraw/zinc/55/89/12/388558912.db2.gz FJYOZWADRCYMIH-CMPLNLGQSA-N 0 3 249.379 3.931 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H](C)Cc2cccs2)o1 ZINC000036993015 388558689 /nfs/dbraw/zinc/55/86/89/388558689.db2.gz FJYOZWADRCYMIH-JQWIXIFHSA-N 0 3 249.379 3.931 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)Cc2cccs2)o1 ZINC000036993016 388558319 /nfs/dbraw/zinc/55/83/19/388558319.db2.gz FJYOZWADRCYMIH-ZYHUDNBSSA-N 0 3 249.379 3.931 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)Cc2cccs2)o1 ZINC000036993017 388558840 /nfs/dbraw/zinc/55/88/40/388558840.db2.gz FJYOZWADRCYMIH-PWSUYJOCSA-N 0 3 249.379 3.931 20 0 BHADHN CCCCCN[C@@H](C)c1cc(F)ccc1OC ZINC000037089632 324261136 /nfs/dbraw/zinc/26/11/36/324261136.db2.gz VAQLHZXODGWJRG-NSHDSACASA-N 0 3 239.334 3.675 20 0 BHADHN CCCCCN[C@H](C)c1cc(F)ccc1OC ZINC000037089633 324261148 /nfs/dbraw/zinc/26/11/48/324261148.db2.gz VAQLHZXODGWJRG-LLVKDONJSA-N 0 3 239.334 3.675 20 0 BHADHN COc1ccc(F)cc1[C@H](C)NCCC(C)C ZINC000037089793 324262066 /nfs/dbraw/zinc/26/20/66/324262066.db2.gz OVEVRHUYNRMORC-NSHDSACASA-N 0 3 239.334 3.531 20 0 BHADHN COc1ccc(F)cc1[C@@H](C)NCCC(C)C ZINC000037089794 324262475 /nfs/dbraw/zinc/26/24/75/324262475.db2.gz OVEVRHUYNRMORC-LLVKDONJSA-N 0 3 239.334 3.531 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1cc(F)ccc1OC ZINC000037089869 324262382 /nfs/dbraw/zinc/26/23/82/324262382.db2.gz VRXCMIIAHWZENS-MNOVXSKESA-N 0 3 239.334 3.674 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1cc(F)ccc1OC ZINC000037089870 324261911 /nfs/dbraw/zinc/26/19/11/324261911.db2.gz VRXCMIIAHWZENS-QWRGUYRKSA-N 0 3 239.334 3.674 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1cc(F)ccc1OC ZINC000037089871 324262523 /nfs/dbraw/zinc/26/25/23/324262523.db2.gz VRXCMIIAHWZENS-GHMZBOCLSA-N 0 3 239.334 3.674 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1cc(F)ccc1OC ZINC000037089872 324262270 /nfs/dbraw/zinc/26/22/70/324262270.db2.gz VRXCMIIAHWZENS-WDEREUQCSA-N 0 3 239.334 3.674 20 0 BHADHN Cc1noc(C)c1CNC(C)(C)CC(C)(C)C ZINC000037100907 387559804 /nfs/dbraw/zinc/55/98/04/387559804.db2.gz YQPMKPWWDHYTQJ-UHFFFAOYSA-N 0 3 238.375 3.596 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2cccc(O)c2)s1 ZINC000037150687 343336923 /nfs/dbraw/zinc/33/69/23/343336923.db2.gz RYLGGFLXJDUDOC-NSHDSACASA-N 0 3 247.363 3.613 20 0 BHADHN Cc1ccc(CN[C@H](C)c2cccc(O)c2)s1 ZINC000037150689 343336941 /nfs/dbraw/zinc/33/69/41/343336941.db2.gz RYLGGFLXJDUDOC-LLVKDONJSA-N 0 3 247.363 3.613 20 0 BHADHN Cc1ccsc1CN[C@@H](C)c1cccc(O)c1 ZINC000037151021 343336788 /nfs/dbraw/zinc/33/67/88/343336788.db2.gz MYJVWJOUNQCZEN-NSHDSACASA-N 0 3 247.363 3.613 20 0 BHADHN Cc1ccsc1CN[C@H](C)c1cccc(O)c1 ZINC000037151023 343336897 /nfs/dbraw/zinc/33/68/97/343336897.db2.gz MYJVWJOUNQCZEN-LLVKDONJSA-N 0 3 247.363 3.613 20 0 BHADHN Clc1cccc(CNCC2CCC2)c1Cl ZINC000037179624 384487211 /nfs/dbraw/zinc/48/72/11/384487211.db2.gz CQXWPSARMAAKNT-UHFFFAOYSA-N 0 3 244.165 3.883 20 0 BHADHN Clc1cccc(Cl)c1CNCC1CCC1 ZINC000037179704 348031789 /nfs/dbraw/zinc/03/17/89/348031789.db2.gz JAYHJRUIFZLXJJ-UHFFFAOYSA-N 0 3 244.165 3.883 20 0 BHADHN Clc1ccc(CNCC2CCC2)c(Cl)c1 ZINC000037180223 322827287 /nfs/dbraw/zinc/82/72/87/322827287.db2.gz QYYMAHJLOJPBJK-UHFFFAOYSA-N 0 3 244.165 3.883 20 0 BHADHN Cc1c2ccccc2oc1[C@@H](C)NC1CC1 ZINC000037183763 358469318 /nfs/dbraw/zinc/46/93/18/358469318.db2.gz ICMNPEJLQDRMQZ-SNVBAGLBSA-N 0 3 215.296 3.554 20 0 BHADHN Cc1c2ccccc2oc1[C@H](C)NC1CC1 ZINC000037183764 358469483 /nfs/dbraw/zinc/46/94/83/358469483.db2.gz ICMNPEJLQDRMQZ-JTQLQIEISA-N 0 3 215.296 3.554 20 0 BHADHN Cc1nc(C(C)(C)C)sc1[C@@H](C)NC1CC1 ZINC000037183865 387559467 /nfs/dbraw/zinc/55/94/67/387559467.db2.gz VKVKSICIBXPRMD-MRVPVSSYSA-N 0 3 238.400 3.562 20 0 BHADHN Cc1nc(C(C)(C)C)sc1[C@H](C)NC1CC1 ZINC000037183866 387560058 /nfs/dbraw/zinc/56/00/58/387560058.db2.gz VKVKSICIBXPRMD-QMMMGPOBSA-N 0 3 238.400 3.562 20 0 BHADHN CC(C)(C)NCc1ccc(CSC(F)F)o1 ZINC000037184329 343338464 /nfs/dbraw/zinc/33/84/64/343338464.db2.gz UQRNMPDRTPFUKB-UHFFFAOYSA-N 0 3 249.326 3.624 20 0 BHADHN CCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000037184381 169276010 /nfs/dbraw/zinc/27/60/10/169276010.db2.gz GRNAYAFEKBUYNH-QMMMGPOBSA-N 0 3 215.699 3.540 20 0 BHADHN CCCN[C@H](C)c1ccc(F)cc1Cl ZINC000037184382 169287527 /nfs/dbraw/zinc/28/75/27/169287527.db2.gz GRNAYAFEKBUYNH-MRVPVSSYSA-N 0 3 215.699 3.540 20 0 BHADHN CCCN[C@@H](C)c1sccc1Br ZINC000037184409 358059287 /nfs/dbraw/zinc/05/92/87/358059287.db2.gz DMLCWWONYRVBEF-ZETCQYMHSA-N 0 3 248.189 3.571 20 0 BHADHN CCCN[C@H](C)c1sccc1Br ZINC000037184410 358059522 /nfs/dbraw/zinc/05/95/22/358059522.db2.gz DMLCWWONYRVBEF-SSDOTTSWSA-N 0 3 248.189 3.571 20 0 BHADHN CC(C)N[C@@H](C)c1ccc(F)cc1Cl ZINC000037186269 167133318 /nfs/dbraw/zinc/13/33/18/167133318.db2.gz YIBYVGSNSYZRSR-QMMMGPOBSA-N 0 3 215.699 3.538 20 0 BHADHN CC(C)N[C@H](C)c1ccc(F)cc1Cl ZINC000037186270 167138408 /nfs/dbraw/zinc/13/84/08/167138408.db2.gz YIBYVGSNSYZRSR-MRVPVSSYSA-N 0 3 215.699 3.538 20 0 BHADHN CC(C)NC(c1cccs1)c1cccs1 ZINC000037186275 167092663 /nfs/dbraw/zinc/09/26/63/167092663.db2.gz UBSGAOSTKMMRSE-UHFFFAOYSA-N 0 3 237.393 3.897 20 0 BHADHN CC(C)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000037186314 167132520 /nfs/dbraw/zinc/13/25/20/167132520.db2.gz LALMHWKKWPPNCE-NSHDSACASA-N 0 3 231.261 3.678 20 0 BHADHN CC(C)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000037186315 167138775 /nfs/dbraw/zinc/13/87/75/167138775.db2.gz LALMHWKKWPPNCE-LLVKDONJSA-N 0 3 231.261 3.678 20 0 BHADHN CC[C@@H](C)N[C@@H](C)c1ccc(F)cc1Cl ZINC000037186583 384490296 /nfs/dbraw/zinc/49/02/96/384490296.db2.gz LQBYMWYUVQZDOB-BDAKNGLRSA-N 0 3 229.726 3.928 20 0 BHADHN CC[C@H](C)N[C@@H](C)c1ccc(F)cc1Cl ZINC000037186584 384488936 /nfs/dbraw/zinc/48/89/36/384488936.db2.gz LQBYMWYUVQZDOB-IUCAKERBSA-N 0 3 229.726 3.928 20 0 BHADHN CC[C@@H](C)N[C@H](C)c1ccc(F)cc1Cl ZINC000037186585 322827487 /nfs/dbraw/zinc/82/74/87/322827487.db2.gz LQBYMWYUVQZDOB-RKDXNWHRSA-N 0 3 229.726 3.928 20 0 BHADHN CC[C@H](C)N[C@H](C)c1ccc(F)cc1Cl ZINC000037186586 384490130 /nfs/dbraw/zinc/49/01/30/384490130.db2.gz LQBYMWYUVQZDOB-DTWKUNHWSA-N 0 3 229.726 3.928 20 0 BHADHN CC(C)CN[C@@H](C)c1ccc(F)cc1Cl ZINC000037186761 383954801 /nfs/dbraw/zinc/95/48/01/383954801.db2.gz MTNONDHJCBMPBY-VIFPVBQESA-N 0 3 229.726 3.786 20 0 BHADHN CC(C)CN[C@H](C)c1ccc(F)cc1Cl ZINC000037186762 167012902 /nfs/dbraw/zinc/01/29/02/167012902.db2.gz MTNONDHJCBMPBY-SECBINFHSA-N 0 3 229.726 3.786 20 0 BHADHN CC(C)CN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000037186815 167012107 /nfs/dbraw/zinc/01/21/07/167012107.db2.gz ZMWISJCCCQLPFW-LBPRGKRZSA-N 0 3 245.288 3.926 20 0 BHADHN CC(C)CN[C@H](CC(F)(F)F)c1ccccc1 ZINC000037186816 167013670 /nfs/dbraw/zinc/01/36/70/167013670.db2.gz ZMWISJCCCQLPFW-GFCCVEGCSA-N 0 3 245.288 3.926 20 0 BHADHN C[C@H](NCC1CC1)c1ccc(F)cc1Cl ZINC000037187336 384489727 /nfs/dbraw/zinc/48/97/27/384489727.db2.gz JADOCVPRZJFGBF-QMMMGPOBSA-N 0 3 227.710 3.540 20 0 BHADHN C[C@@H](NCC1CC1)c1ccc(F)cc1Cl ZINC000037187337 384489520 /nfs/dbraw/zinc/48/95/20/384489520.db2.gz JADOCVPRZJFGBF-MRVPVSSYSA-N 0 3 227.710 3.540 20 0 BHADHN c1csc(C(NCC2CC2)c2cccs2)c1 ZINC000037187344 343338302 /nfs/dbraw/zinc/33/83/02/343338302.db2.gz GKKYSXBAHRLGIM-UHFFFAOYSA-N 0 3 249.404 3.899 20 0 BHADHN FC(F)(F)C[C@@H](NCC1CC1)c1ccccc1 ZINC000037187393 387559683 /nfs/dbraw/zinc/55/96/83/387559683.db2.gz RWBCQHLKCUFGOW-GFCCVEGCSA-N 0 3 243.272 3.680 20 0 BHADHN FC(F)(F)C[C@H](NCC1CC1)c1ccccc1 ZINC000037187394 180885427 /nfs/dbraw/zinc/88/54/27/180885427.db2.gz RWBCQHLKCUFGOW-LBPRGKRZSA-N 0 3 243.272 3.680 20 0 BHADHN Cc1cccc([C@@H](C)NCc2ccccc2)c1 ZINC000037187706 323191518 /nfs/dbraw/zinc/19/15/18/323191518.db2.gz XSYXYIHIPMSQNI-CQSZACIVSA-N 0 3 225.335 3.846 20 0 BHADHN Cc1cccc([C@H](C)NCc2ccccc2)c1 ZINC000037187707 323191554 /nfs/dbraw/zinc/19/15/54/323191554.db2.gz XSYXYIHIPMSQNI-AWEZNQCLSA-N 0 3 225.335 3.846 20 0 BHADHN CCCCCN[C@@H](C)c1ccc(OC)cc1F ZINC000037188830 388591213 /nfs/dbraw/zinc/59/12/13/388591213.db2.gz AHCGHUYLEYLPEB-NSHDSACASA-N 0 3 239.334 3.675 20 0 BHADHN CCCCCN[C@H](C)c1ccc(OC)cc1F ZINC000037188831 388591531 /nfs/dbraw/zinc/59/15/31/388591531.db2.gz AHCGHUYLEYLPEB-LLVKDONJSA-N 0 3 239.334 3.675 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1ccc(OC)cc1F ZINC000037189497 538961967 /nfs/dbraw/zinc/96/19/67/538961967.db2.gz VDJMIZNGEIPODY-MNOVXSKESA-N 0 3 239.334 3.674 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1ccc(OC)cc1F ZINC000037189498 538962075 /nfs/dbraw/zinc/96/20/75/538962075.db2.gz VDJMIZNGEIPODY-QWRGUYRKSA-N 0 3 239.334 3.674 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1ccc(OC)cc1F ZINC000037189499 538961867 /nfs/dbraw/zinc/96/18/67/538961867.db2.gz VDJMIZNGEIPODY-GHMZBOCLSA-N 0 3 239.334 3.674 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1ccc(OC)cc1F ZINC000037189500 538961918 /nfs/dbraw/zinc/96/19/18/538961918.db2.gz VDJMIZNGEIPODY-WDEREUQCSA-N 0 3 239.334 3.674 20 0 BHADHN CCCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000037197975 383954571 /nfs/dbraw/zinc/95/45/71/383954571.db2.gz MYRYBNSDLSJKMB-VIFPVBQESA-N 0 3 229.726 3.930 20 0 BHADHN CCCCN[C@H](C)c1ccc(F)cc1Cl ZINC000037197976 383954215 /nfs/dbraw/zinc/95/42/15/383954215.db2.gz MYRYBNSDLSJKMB-SECBINFHSA-N 0 3 229.726 3.930 20 0 BHADHN COc1ccc([C@H](C)NCCC(C)C)c(F)c1 ZINC000037199836 388595159 /nfs/dbraw/zinc/59/51/59/388595159.db2.gz YLRWPJOVIBAETB-NSHDSACASA-N 0 3 239.334 3.531 20 0 BHADHN COc1ccc([C@@H](C)NCCC(C)C)c(F)c1 ZINC000037199837 388595633 /nfs/dbraw/zinc/59/56/33/388595633.db2.gz YLRWPJOVIBAETB-LLVKDONJSA-N 0 3 239.334 3.531 20 0 BHADHN Cc1cccc([C@@H](C)NCc2ccc(F)cc2)c1 ZINC000037211098 324435642 /nfs/dbraw/zinc/43/56/42/324435642.db2.gz WSBYFEPJLFBAPX-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1cccc([C@H](C)NCc2ccc(F)cc2)c1 ZINC000037211099 323194300 /nfs/dbraw/zinc/19/43/00/323194300.db2.gz WSBYFEPJLFBAPX-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1cccc([C@@H](C)N[C@@H](C)c2ccncc2)c1 ZINC000037217807 179183341 /nfs/dbraw/zinc/18/33/41/179183341.db2.gz SGIXXRJPZBETTK-UONOGXRCSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1cccc([C@H](C)N[C@@H](C)c2ccncc2)c1 ZINC000037217808 179196276 /nfs/dbraw/zinc/19/62/76/179196276.db2.gz SGIXXRJPZBETTK-KBPBESRZSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1cccc([C@@H](C)N[C@H](C)c2ccncc2)c1 ZINC000037217809 179182372 /nfs/dbraw/zinc/18/23/72/179182372.db2.gz SGIXXRJPZBETTK-ZIAGYGMSSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1cccc([C@H](C)N[C@H](C)c2ccncc2)c1 ZINC000037217810 179197617 /nfs/dbraw/zinc/19/76/17/179197617.db2.gz SGIXXRJPZBETTK-KGLIPLIRSA-N 0 3 240.350 3.802 20 0 BHADHN CC1CCC(NCc2cc(F)ccc2F)CC1 ZINC000037228354 168164851 /nfs/dbraw/zinc/16/48/51/168164851.db2.gz JDHVMNMUAPDWTB-UHFFFAOYSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H]1CCCC[C@@H]1NCc1cc(F)ccc1F ZINC000037228377 176080592 /nfs/dbraw/zinc/08/05/92/176080592.db2.gz JQMPSGUMUZFKGE-YGRLFVJLSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CCCC[C@@H]1NCc1cc(F)ccc1F ZINC000037228378 177082548 /nfs/dbraw/zinc/08/25/48/177082548.db2.gz JQMPSGUMUZFKGE-HZMBPMFUSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1F ZINC000037228379 176088691 /nfs/dbraw/zinc/08/86/91/176088691.db2.gz JQMPSGUMUZFKGE-QMTHXVAHSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CCCC[C@H]1NCc1cc(F)ccc1F ZINC000037228380 177089051 /nfs/dbraw/zinc/08/90/51/177089051.db2.gz JQMPSGUMUZFKGE-IINYFYTJSA-N 0 3 239.309 3.633 20 0 BHADHN Cc1cccc([C@@H](C)N[C@@H](C)c2cccnc2)c1 ZINC000037228955 179183081 /nfs/dbraw/zinc/18/30/81/179183081.db2.gz KVPPTDZFZUJMEF-KGLIPLIRSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1cccc([C@H](C)N[C@@H](C)c2cccnc2)c1 ZINC000037228956 179196776 /nfs/dbraw/zinc/19/67/76/179196776.db2.gz KVPPTDZFZUJMEF-KBPBESRZSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1cccc([C@@H](C)N[C@H](C)c2cccnc2)c1 ZINC000037228957 179182567 /nfs/dbraw/zinc/18/25/67/179182567.db2.gz KVPPTDZFZUJMEF-ZIAGYGMSSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1cccc([C@H](C)N[C@H](C)c2cccnc2)c1 ZINC000037228958 179197549 /nfs/dbraw/zinc/19/75/49/179197549.db2.gz KVPPTDZFZUJMEF-UONOGXRCSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1cccc([C@@H](C)NCc2cccs2)c1 ZINC000037231970 179182685 /nfs/dbraw/zinc/18/26/85/179182685.db2.gz BGBIGXQSPATHMM-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1cccc([C@H](C)NCc2cccs2)c1 ZINC000037231971 179196870 /nfs/dbraw/zinc/19/68/70/179196870.db2.gz BGBIGXQSPATHMM-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Fc1ccc(F)c(CNC2CCCCCC2)c1 ZINC000037233100 363879688 /nfs/dbraw/zinc/87/96/88/363879688.db2.gz QDJPJJAIWUSWBP-UHFFFAOYSA-N 0 3 239.309 3.777 20 0 BHADHN CC(C)CC[C@@H](C)NCc1cc(F)ccc1F ZINC000037233104 166892222 /nfs/dbraw/zinc/89/22/22/166892222.db2.gz NOFGVJQPMVARFO-LLVKDONJSA-N 0 3 241.325 3.879 20 0 BHADHN CC(C)CC[C@H](C)NCc1cc(F)ccc1F ZINC000037233106 363879630 /nfs/dbraw/zinc/87/96/30/363879630.db2.gz NOFGVJQPMVARFO-NSHDSACASA-N 0 3 241.325 3.879 20 0 BHADHN Cc1cccc([C@@H](C)NCc2cccc(F)c2)c1 ZINC000037246879 388611290 /nfs/dbraw/zinc/61/12/90/388611290.db2.gz IJURQMLEDDIQAI-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1cccc([C@H](C)NCc2cccc(F)c2)c1 ZINC000037246881 388611347 /nfs/dbraw/zinc/61/13/47/388611347.db2.gz IJURQMLEDDIQAI-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN Fc1cccc(F)c1CNCC1CCCCC1 ZINC000037247840 181000829 /nfs/dbraw/zinc/00/08/29/181000829.db2.gz LRZMTHCYKBWSOW-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN Fc1ccc(CNCC2CCCCC2)c(F)c1 ZINC000037247850 361778816 /nfs/dbraw/zinc/77/88/16/361778816.db2.gz BZLHIASZLAVLMX-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNCC2CCCC2)o1 ZINC000037252215 388612513 /nfs/dbraw/zinc/61/25/13/388612513.db2.gz QTNLLHZGOHMGED-RISCZKNCSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNCC2CCCC2)o1 ZINC000037252217 388612653 /nfs/dbraw/zinc/61/26/53/388612653.db2.gz QTNLLHZGOHMGED-FZMZJTMJSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNCC2CCCC2)o1 ZINC000037252219 388613287 /nfs/dbraw/zinc/61/32/87/388613287.db2.gz QTNLLHZGOHMGED-BXUZGUMPSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNCC2CCCC2)o1 ZINC000037252221 388613201 /nfs/dbraw/zinc/61/32/01/388613201.db2.gz QTNLLHZGOHMGED-SMDDNHRTSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@@H]1CCC[C@H](NCc2ccc(F)cc2F)C1 ZINC000037252527 176143951 /nfs/dbraw/zinc/14/39/51/176143951.db2.gz DGNVQZVQOBFPNA-MFKMUULPSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CCC[C@H](NCc2ccc(F)cc2F)C1 ZINC000037252530 177137085 /nfs/dbraw/zinc/13/70/85/177137085.db2.gz DGNVQZVQOBFPNA-GWCFXTLKSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H]1CCC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000037252531 176123282 /nfs/dbraw/zinc/12/32/82/176123282.db2.gz DGNVQZVQOBFPNA-ZWNOBZJWSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CCC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000037252533 398312734 /nfs/dbraw/zinc/31/27/34/398312734.db2.gz DGNVQZVQOBFPNA-GXFFZTMASA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H]1CCC[C@H](NCc2cc(F)ccc2F)C1 ZINC000037253514 324485546 /nfs/dbraw/zinc/48/55/46/324485546.db2.gz GIMBHRNQEMMBMY-MFKMUULPSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CCC[C@H](NCc2cc(F)ccc2F)C1 ZINC000037253516 388612952 /nfs/dbraw/zinc/61/29/52/388612952.db2.gz GIMBHRNQEMMBMY-GWCFXTLKSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H]1CCC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000037253518 324485362 /nfs/dbraw/zinc/48/53/62/324485362.db2.gz GIMBHRNQEMMBMY-ZWNOBZJWSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CCC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000037253520 388613124 /nfs/dbraw/zinc/61/31/24/388613124.db2.gz GIMBHRNQEMMBMY-GXFFZTMASA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H](NCC1CCC1)c1ccc(F)cc1Cl ZINC000037253779 324495975 /nfs/dbraw/zinc/49/59/75/324495975.db2.gz HWFQUVPOVPAYHP-VIFPVBQESA-N 0 3 241.737 3.930 20 0 BHADHN C[C@@H](NCC1CCC1)c1ccc(F)cc1Cl ZINC000037253780 324495712 /nfs/dbraw/zinc/49/57/12/324495712.db2.gz HWFQUVPOVPAYHP-SECBINFHSA-N 0 3 241.737 3.930 20 0 BHADHN Cc1nc([C@@H](C)NCC2CCCC2)c(C)s1 ZINC000037257523 180034820 /nfs/dbraw/zinc/03/48/20/180034820.db2.gz NKUOCMCFOXCYCY-SECBINFHSA-N 0 3 238.400 3.601 20 0 BHADHN Cc1nc([C@H](C)NCC2CCCC2)c(C)s1 ZINC000037257525 180049018 /nfs/dbraw/zinc/04/90/18/180049018.db2.gz NKUOCMCFOXCYCY-VIFPVBQESA-N 0 3 238.400 3.601 20 0 BHADHN C[C@H](NCC1CCCC1)c1ccc(F)cc1F ZINC000037257863 387418230 /nfs/dbraw/zinc/41/82/30/387418230.db2.gz FQXJRSPUXBJURF-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCC1CCCC1)c1ccc(F)cc1F ZINC000037257865 175870093 /nfs/dbraw/zinc/87/00/93/175870093.db2.gz FQXJRSPUXBJURF-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN Fc1ccc(CNCC2CCCC2)c(Cl)c1 ZINC000037258583 324495413 /nfs/dbraw/zinc/49/54/13/324495413.db2.gz LSPPCDFTWBIQKI-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN Fc1ccc(F)c(CNCC2CCCCC2)c1 ZINC000037259221 180973819 /nfs/dbraw/zinc/97/38/19/180973819.db2.gz ROUXKWYHJOMGPP-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN C[C@H](N[C@@H](C)C1CC1)c1ccc(F)cc1Cl ZINC000037259487 385025645 /nfs/dbraw/zinc/02/56/45/385025645.db2.gz BNKMXKABVCOZCT-IUCAKERBSA-N 0 3 241.737 3.928 20 0 BHADHN C[C@@H](N[C@@H](C)C1CC1)c1ccc(F)cc1Cl ZINC000037259489 176914137 /nfs/dbraw/zinc/91/41/37/176914137.db2.gz BNKMXKABVCOZCT-DTWKUNHWSA-N 0 3 241.737 3.928 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccc(F)cc1Cl)C1CC1 ZINC000037259491 176907985 /nfs/dbraw/zinc/90/79/85/176907985.db2.gz BNKMXKABVCOZCT-BDAKNGLRSA-N 0 3 241.737 3.928 20 0 BHADHN C[C@@H](N[C@H](C)C1CC1)c1ccc(F)cc1Cl ZINC000037259493 344498064 /nfs/dbraw/zinc/49/80/64/344498064.db2.gz BNKMXKABVCOZCT-RKDXNWHRSA-N 0 3 241.737 3.928 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H](C)CC(C)C)c(C)s1 ZINC000037260481 538962387 /nfs/dbraw/zinc/96/23/87/538962387.db2.gz OHDNZFPHBRXSGG-VHSXEESVSA-N 0 3 240.416 3.845 20 0 BHADHN Cc1nc([C@H](C)N[C@@H](C)CC(C)C)c(C)s1 ZINC000037260483 538962251 /nfs/dbraw/zinc/96/22/51/538962251.db2.gz OHDNZFPHBRXSGG-UWVGGRQHSA-N 0 3 240.416 3.845 20 0 BHADHN Cc1nc([C@@H](C)N[C@H](C)CC(C)C)c(C)s1 ZINC000037260485 538962213 /nfs/dbraw/zinc/96/22/13/538962213.db2.gz OHDNZFPHBRXSGG-NXEZZACHSA-N 0 3 240.416 3.845 20 0 BHADHN Cc1nc([C@H](C)N[C@H](C)CC(C)C)c(C)s1 ZINC000037260487 538962510 /nfs/dbraw/zinc/96/25/10/538962510.db2.gz OHDNZFPHBRXSGG-ZJUUUORDSA-N 0 3 240.416 3.845 20 0 BHADHN CC(C)C[C@H](C)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000037264367 323206929 /nfs/dbraw/zinc/20/69/29/323206929.db2.gz CBGPBXGRGZACHT-DYEKYZERSA-N 0 3 235.371 3.927 20 0 BHADHN CC(C)C[C@H](C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000037264368 323206960 /nfs/dbraw/zinc/20/69/60/323206960.db2.gz CBGPBXGRGZACHT-OBJOEFQTSA-N 0 3 235.371 3.927 20 0 BHADHN CC(C)C[C@H](C)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000037264369 323207038 /nfs/dbraw/zinc/20/70/38/323207038.db2.gz CBGPBXGRGZACHT-MBNYWOFBSA-N 0 3 235.371 3.927 20 0 BHADHN CC(C)C[C@H](C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000037264370 323207260 /nfs/dbraw/zinc/20/72/60/323207260.db2.gz CBGPBXGRGZACHT-SGMGOOAPSA-N 0 3 235.371 3.927 20 0 BHADHN CCCC[C@@H](C)Nc1cccc(CN(C)C)c1 ZINC000037283102 388641102 /nfs/dbraw/zinc/64/11/02/388641102.db2.gz XWGDHYHCYKXOEY-CYBMUJFWSA-N 0 3 234.387 3.739 20 0 BHADHN CCCC[C@H](C)Nc1cccc(CN(C)C)c1 ZINC000037283103 388641289 /nfs/dbraw/zinc/64/12/89/388641289.db2.gz XWGDHYHCYKXOEY-ZDUSSCGKSA-N 0 3 234.387 3.739 20 0 BHADHN CC[C@H](Nc1cccc(CN(C)C)c1)C(C)C ZINC000037283104 324562069 /nfs/dbraw/zinc/56/20/69/324562069.db2.gz YSEWTRVPTUHSMG-HNNXBMFYSA-N 0 3 234.387 3.595 20 0 BHADHN CC[C@@H](Nc1cccc(CN(C)C)c1)C(C)C ZINC000037283105 324562262 /nfs/dbraw/zinc/56/22/62/324562262.db2.gz YSEWTRVPTUHSMG-OAHLLOKOSA-N 0 3 234.387 3.595 20 0 BHADHN Cc1nc([C@H](C)N[C@@H]2CCC[C@H](C)C2)cs1 ZINC000037413247 180050537 /nfs/dbraw/zinc/05/05/37/180050537.db2.gz WNMYZNYCIMJQGB-JBLDHEPKSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@H]2CCC[C@H](C)C2)cs1 ZINC000037413251 180050416 /nfs/dbraw/zinc/05/04/16/180050416.db2.gz WNMYZNYCIMJQGB-NHCYSSNCSA-N 0 3 238.400 3.681 20 0 BHADHN C[C@H](NCc1ccccc1Cl)C1(C)CC1 ZINC000037467733 384500968 /nfs/dbraw/zinc/50/09/68/384500968.db2.gz KXUFPHCHCJIVND-JTQLQIEISA-N 0 3 223.747 3.618 20 0 BHADHN C[C@@H](NCc1ccccc1Cl)C1(C)CC1 ZINC000037467735 342932791 /nfs/dbraw/zinc/93/27/91/342932791.db2.gz KXUFPHCHCJIVND-SNVBAGLBSA-N 0 3 223.747 3.618 20 0 BHADHN Cc1ccc(CNCc2ccccc2C)c(C)c1 ZINC000037486689 324569495 /nfs/dbraw/zinc/56/94/95/324569495.db2.gz DYGIRBTVKLPEIK-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1ccc(CNCc2ccccc2C)cc1C ZINC000037486693 363889573 /nfs/dbraw/zinc/88/95/73/363889573.db2.gz NRVCQRZLNKCSPX-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1ccccc1CNCc1ccc(F)c(F)c1 ZINC000037486704 179282752 /nfs/dbraw/zinc/28/27/52/179282752.db2.gz AARAVCPDPDLPIR-UHFFFAOYSA-N 0 3 247.288 3.563 20 0 BHADHN Clc1ccc(CNCC2CCCCC2)o1 ZINC000037486976 384507621 /nfs/dbraw/zinc/50/76/21/384507621.db2.gz BDIBUGGSKPKSNX-UHFFFAOYSA-N 0 3 227.735 3.603 20 0 BHADHN Clc1ccc(CNC2CCCCCC2)o1 ZINC000037487022 384506163 /nfs/dbraw/zinc/50/61/63/384506163.db2.gz QMOCSUHCGHOUJF-UHFFFAOYSA-N 0 3 227.735 3.745 20 0 BHADHN Clc1ccc(CNCCCc2ccccc2)o1 ZINC000037487024 388644778 /nfs/dbraw/zinc/64/47/78/388644778.db2.gz ZPXTZHNTYNBHSE-UHFFFAOYSA-N 0 3 249.741 3.655 20 0 BHADHN CC(C)CC[C@@H](C)NCc1ccc(Cl)o1 ZINC000037487025 322828563 /nfs/dbraw/zinc/82/85/63/322828563.db2.gz CPGVJAGIZXCBDS-SNVBAGLBSA-N 0 3 229.751 3.847 20 0 BHADHN CC(C)CC[C@H](C)NCc1ccc(Cl)o1 ZINC000037487026 384506692 /nfs/dbraw/zinc/50/66/92/384506692.db2.gz CPGVJAGIZXCBDS-JTQLQIEISA-N 0 3 229.751 3.847 20 0 BHADHN C[C@@H]1CCC[C@H](NCc2ccc(Cl)o2)[C@@H]1C ZINC000037487044 324569898 /nfs/dbraw/zinc/56/98/98/324569898.db2.gz RFLFOIYXTFIUOS-FOGDFJRCSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@@H]1CCC[C@@H](NCc2ccc(Cl)o2)[C@@H]1C ZINC000037487046 388644593 /nfs/dbraw/zinc/64/45/93/388644593.db2.gz RFLFOIYXTFIUOS-CKYFFXLPSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)o1 ZINC000037487049 384507426 /nfs/dbraw/zinc/50/74/26/384507426.db2.gz DMPSKHOXKRXSMS-KOLCDFICSA-N 0 3 227.735 3.601 20 0 BHADHN C[C@H]1CCCC[C@@H]1NCc1ccc(Cl)o1 ZINC000037487050 384507347 /nfs/dbraw/zinc/50/73/47/384507347.db2.gz DMPSKHOXKRXSMS-ONGXEEELSA-N 0 3 227.735 3.601 20 0 BHADHN C[C@@H]1CCCC[C@H]1NCc1ccc(Cl)o1 ZINC000037487051 384507362 /nfs/dbraw/zinc/50/73/62/384507362.db2.gz DMPSKHOXKRXSMS-MWLCHTKSSA-N 0 3 227.735 3.601 20 0 BHADHN C[C@H]1CCCC[C@H]1NCc1ccc(Cl)o1 ZINC000037487052 384505297 /nfs/dbraw/zinc/50/52/97/384505297.db2.gz DMPSKHOXKRXSMS-GXSJLCMTSA-N 0 3 227.735 3.601 20 0 BHADHN CC1CCC(NCc2ccc(Cl)o2)CC1 ZINC000037487063 168164994 /nfs/dbraw/zinc/16/49/94/168164994.db2.gz ZDKNAKNAQJTQLD-UHFFFAOYSA-N 0 3 227.735 3.601 20 0 BHADHN C[C@@H](CNCc1ccc(Cl)o1)c1ccccc1 ZINC000037487117 324569905 /nfs/dbraw/zinc/56/99/05/324569905.db2.gz ULPIUBYJEXPUAO-NSHDSACASA-N 0 3 249.741 3.826 20 0 BHADHN C[C@H](CNCc1ccc(Cl)o1)c1ccccc1 ZINC000037487118 324569867 /nfs/dbraw/zinc/56/98/67/324569867.db2.gz ULPIUBYJEXPUAO-LLVKDONJSA-N 0 3 249.741 3.826 20 0 BHADHN Clc1ccc(CNCCC2=CCCCC2)o1 ZINC000037487161 323283978 /nfs/dbraw/zinc/28/39/78/323283978.db2.gz KZCNMWNRNJDDGB-UHFFFAOYSA-N 0 3 239.746 3.913 20 0 BHADHN Cc1ccsc1CNCc1ccccc1C ZINC000037487170 179282130 /nfs/dbraw/zinc/28/21/30/179282130.db2.gz WGBBHPQNTDEZPI-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1ccc(CNCc2ccccc2C)s1 ZINC000037487175 343347090 /nfs/dbraw/zinc/34/70/90/343347090.db2.gz KXANIVIFZJXVSJ-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN C[C@@H]1CCC[C@H](NCc2ccc(Cl)o2)C1 ZINC000037487271 176144034 /nfs/dbraw/zinc/14/40/34/176144034.db2.gz BZABSOYLEWOALE-ZJUUUORDSA-N 0 3 227.735 3.601 20 0 BHADHN C[C@H]1CCC[C@H](NCc2ccc(Cl)o2)C1 ZINC000037487272 177137091 /nfs/dbraw/zinc/13/70/91/177137091.db2.gz BZABSOYLEWOALE-UWVGGRQHSA-N 0 3 227.735 3.601 20 0 BHADHN C[C@@H]1CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000037487273 176123729 /nfs/dbraw/zinc/12/37/29/176123729.db2.gz BZABSOYLEWOALE-NXEZZACHSA-N 0 3 227.735 3.601 20 0 BHADHN C[C@H]1CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000037487274 177122779 /nfs/dbraw/zinc/12/27/79/177122779.db2.gz BZABSOYLEWOALE-VHSXEESVSA-N 0 3 227.735 3.601 20 0 BHADHN CC(C)(C)CCNCc1ccccc1Cl ZINC000037488743 342938717 /nfs/dbraw/zinc/93/87/17/342938717.db2.gz QXRGVGDIOOGAOR-UHFFFAOYSA-N 0 3 225.763 3.866 20 0 BHADHN Fc1ccc(CNCCC2CCCC2)c(F)c1 ZINC000037492925 358073096 /nfs/dbraw/zinc/07/30/96/358073096.db2.gz ZWKBETWYJFVHNW-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN Clc1ccc(CNCCC2CCCC2)o1 ZINC000037492993 384507696 /nfs/dbraw/zinc/50/76/96/384507696.db2.gz RWBNNRMTQQSWQX-UHFFFAOYSA-N 0 3 227.735 3.603 20 0 BHADHN Fc1ccccc1CNCCC1CCCCC1 ZINC000037501018 324569576 /nfs/dbraw/zinc/56/95/76/324569576.db2.gz UVGADOYAICVFAT-UHFFFAOYSA-N 0 3 235.346 3.886 20 0 BHADHN Clc1ccc(CNCCC2CCCCC2)o1 ZINC000037501044 388644384 /nfs/dbraw/zinc/64/43/84/388644384.db2.gz QPVGAQPMISDFAE-UHFFFAOYSA-N 0 3 241.762 3.993 20 0 BHADHN Cc1ccc(CNCCC2CCCCC2)o1 ZINC000037501051 323288248 /nfs/dbraw/zinc/28/82/48/323288248.db2.gz VOZFGZDPFPHWKR-UHFFFAOYSA-N 0 3 221.344 3.648 20 0 BHADHN Cc1nc(CNCCC2CCCCC2)cs1 ZINC000037501064 358473963 /nfs/dbraw/zinc/47/39/63/358473963.db2.gz NXDKYGKPLWWKSM-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)o1 ZINC000037502508 388644730 /nfs/dbraw/zinc/64/47/30/388644730.db2.gz GCGKSDBAXODEFE-PWSUYJOCSA-N 0 3 241.762 3.991 20 0 BHADHN CC[C@H]1CCCC[C@@H]1NCc1ccc(Cl)o1 ZINC000037502509 324570158 /nfs/dbraw/zinc/57/01/58/324570158.db2.gz GCGKSDBAXODEFE-JQWIXIFHSA-N 0 3 241.762 3.991 20 0 BHADHN CC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)o1 ZINC000037502510 388644652 /nfs/dbraw/zinc/64/46/52/388644652.db2.gz GCGKSDBAXODEFE-ZYHUDNBSSA-N 0 3 241.762 3.991 20 0 BHADHN CC[C@H]1CCCC[C@H]1NCc1ccc(Cl)o1 ZINC000037502511 388644796 /nfs/dbraw/zinc/64/47/96/388644796.db2.gz GCGKSDBAXODEFE-CMPLNLGQSA-N 0 3 241.762 3.991 20 0 BHADHN Cc1ncc(CN[C@H](C)c2ccccc2C)s1 ZINC000037505325 180157720 /nfs/dbraw/zinc/15/77/20/180157720.db2.gz GWFGQUGXQIVGHU-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ncc(CN[C@@H](C)c2ccccc2C)s1 ZINC000037505326 180154936 /nfs/dbraw/zinc/15/49/36/180154936.db2.gz GWFGQUGXQIVGHU-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN C[C@H](NC1CC(c2ccccc2)C1)c1ccco1 ZINC000037506656 383980619 /nfs/dbraw/zinc/98/06/19/383980619.db2.gz MVOZYJWFILKWDS-GRTSSRMGSA-N 0 3 241.334 3.876 20 0 BHADHN C[C@@H](NC1CC(c2ccccc2)C1)c1ccco1 ZINC000037506657 383982045 /nfs/dbraw/zinc/98/20/45/383982045.db2.gz MVOZYJWFILKWDS-LRVUVFPRSA-N 0 3 241.334 3.876 20 0 BHADHN Cc1ccccc1CN[C@@H](C)c1cccc(O)c1 ZINC000037509476 179282843 /nfs/dbraw/zinc/28/28/43/179282843.db2.gz PSYSFALGTCIZQU-ZDUSSCGKSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1ccccc1CN[C@H](C)c1cccc(O)c1 ZINC000037509477 179284316 /nfs/dbraw/zinc/28/43/16/179284316.db2.gz PSYSFALGTCIZQU-CYBMUJFWSA-N 0 3 241.334 3.551 20 0 BHADHN CCN[C@@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000037533569 324570815 /nfs/dbraw/zinc/57/08/15/324570815.db2.gz YDKBIFKTYKUWAG-INIZCTEOSA-N 0 3 243.325 3.833 20 0 BHADHN CCN[C@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000037533570 324570810 /nfs/dbraw/zinc/57/08/10/324570810.db2.gz YDKBIFKTYKUWAG-MRXNPFEDSA-N 0 3 243.325 3.833 20 0 BHADHN CN[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000037534078 388645888 /nfs/dbraw/zinc/64/58/88/388645888.db2.gz ISQUNGRTCUCJJC-CQSZACIVSA-N 0 3 249.716 3.788 20 0 BHADHN CN[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000037534079 388645378 /nfs/dbraw/zinc/64/53/78/388645378.db2.gz ISQUNGRTCUCJJC-AWEZNQCLSA-N 0 3 249.716 3.788 20 0 BHADHN CNC(c1ccccc1C)c1ccccc1C ZINC000037535664 173320994 /nfs/dbraw/zinc/32/09/94/173320994.db2.gz LUFWNDXYFRQTAW-UHFFFAOYSA-N 0 3 225.335 3.612 20 0 BHADHN CNC(c1cccc(C)c1)c1cccc(C)c1 ZINC000037535715 388645893 /nfs/dbraw/zinc/64/58/93/388645893.db2.gz NCWNJZYAHXQYHH-UHFFFAOYSA-N 0 3 225.335 3.612 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@@H]2Cc3ccccc32)o1 ZINC000037565424 178842252 /nfs/dbraw/zinc/84/22/52/178842252.db2.gz QEWVREYADOWQSK-OCCSQVGLSA-N 0 3 241.334 3.579 20 0 BHADHN Cc1ccc([C@H](C)NC[C@@H]2Cc3ccccc32)o1 ZINC000037565425 178891156 /nfs/dbraw/zinc/89/11/56/178891156.db2.gz QEWVREYADOWQSK-JSGCOSHPSA-N 0 3 241.334 3.579 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@H]2Cc3ccccc32)o1 ZINC000037565426 387564257 /nfs/dbraw/zinc/56/42/57/387564257.db2.gz QEWVREYADOWQSK-TZMCWYRMSA-N 0 3 241.334 3.579 20 0 BHADHN Cc1ccc([C@H](C)NC[C@H]2Cc3ccccc32)o1 ZINC000037565427 387565021 /nfs/dbraw/zinc/56/50/21/387565021.db2.gz QEWVREYADOWQSK-GXTWGEPZSA-N 0 3 241.334 3.579 20 0 BHADHN Cc1ccc([C@@H](C)NCCC2CCCC2)o1 ZINC000037739310 356995945 /nfs/dbraw/zinc/99/59/45/356995945.db2.gz OCPKZCNBQAZQNZ-GFCCVEGCSA-N 0 3 221.344 3.819 20 0 BHADHN Cc1ccc([C@H](C)NCCC2CCCC2)o1 ZINC000037739311 356995712 /nfs/dbraw/zinc/99/57/12/356995712.db2.gz OCPKZCNBQAZQNZ-LBPRGKRZSA-N 0 3 221.344 3.819 20 0 BHADHN C[C@H](NCCC1CCCC1)c1ccco1 ZINC000037739446 384516515 /nfs/dbraw/zinc/51/65/15/384516515.db2.gz BLOSDBVOOYULSM-NSHDSACASA-N 0 3 207.317 3.511 20 0 BHADHN C[C@@H](NCCC1CCCC1)c1ccco1 ZINC000037739447 384515114 /nfs/dbraw/zinc/51/51/14/384515114.db2.gz BLOSDBVOOYULSM-LLVKDONJSA-N 0 3 207.317 3.511 20 0 BHADHN Cc1nc([C@@H](C)NCCC2CCCC2)cs1 ZINC000037739698 180034931 /nfs/dbraw/zinc/03/49/31/180034931.db2.gz HJWLFDQLHCQMOO-SNVBAGLBSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1nc([C@H](C)NCCC2CCCC2)cs1 ZINC000037739699 180049217 /nfs/dbraw/zinc/04/92/17/180049217.db2.gz HJWLFDQLHCQMOO-JTQLQIEISA-N 0 3 238.400 3.682 20 0 BHADHN C[C@H](NCCC1CCCCC1)c1ccccn1 ZINC000037739853 388647529 /nfs/dbraw/zinc/64/75/29/388647529.db2.gz CRAUXHYYMVDUCX-ZDUSSCGKSA-N 0 3 232.371 3.703 20 0 BHADHN C[C@@H](NCCC1CCCCC1)c1ccccn1 ZINC000037739854 388647798 /nfs/dbraw/zinc/64/77/98/388647798.db2.gz CRAUXHYYMVDUCX-CYBMUJFWSA-N 0 3 232.371 3.703 20 0 BHADHN C[C@H](NCCC1CCCCC1)c1ccco1 ZINC000037739896 356995518 /nfs/dbraw/zinc/99/55/18/356995518.db2.gz GPRAZCSKAXVGRI-LBPRGKRZSA-N 0 3 221.344 3.901 20 0 BHADHN C[C@@H](NCCC1CCCCC1)c1ccco1 ZINC000037739897 356995726 /nfs/dbraw/zinc/99/57/26/356995726.db2.gz GPRAZCSKAXVGRI-GFCCVEGCSA-N 0 3 221.344 3.901 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cccc(O)c2)cc1 ZINC000037769893 384012476 /nfs/dbraw/zinc/01/24/76/384012476.db2.gz SUDIAKJTIYQIQB-CYBMUJFWSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1ccc([C@H](C)NCc2cccc(O)c2)cc1 ZINC000037769894 384012733 /nfs/dbraw/zinc/01/27/33/384012733.db2.gz SUDIAKJTIYQIQB-ZDUSSCGKSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccsc2)cc1 ZINC000037770100 384013579 /nfs/dbraw/zinc/01/35/79/384013579.db2.gz HJPDMZDWNZBDSL-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccsc2)cc1 ZINC000037770101 384014836 /nfs/dbraw/zinc/01/48/36/384014836.db2.gz HJPDMZDWNZBDSL-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccc(O)cc2)cc1 ZINC000037770236 388939259 /nfs/dbraw/zinc/93/92/59/388939259.db2.gz FSHIXDVAUYEROR-CYBMUJFWSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccc(O)cc2)cc1 ZINC000037770237 388939216 /nfs/dbraw/zinc/93/92/16/388939216.db2.gz FSHIXDVAUYEROR-ZDUSSCGKSA-N 0 3 241.334 3.551 20 0 BHADHN COc1cccc([C@H](C)NCc2ccsc2)c1 ZINC000037771294 175293622 /nfs/dbraw/zinc/29/36/22/175293622.db2.gz IHRSBTOHYHDKMO-NSHDSACASA-N 0 3 247.363 3.608 20 0 BHADHN COc1cccc([C@@H](C)NCc2ccsc2)c1 ZINC000037771295 175286879 /nfs/dbraw/zinc/28/68/79/175286879.db2.gz IHRSBTOHYHDKMO-LLVKDONJSA-N 0 3 247.363 3.608 20 0 BHADHN CC[C@@H](C)CN[C@@H](C)c1c(F)cccc1F ZINC000037771924 388647009 /nfs/dbraw/zinc/64/70/09/388647009.db2.gz IXQXOPUWJVDMEN-ZJUUUORDSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@H](C)CN[C@@H](C)c1c(F)cccc1F ZINC000037771925 388647770 /nfs/dbraw/zinc/64/77/70/388647770.db2.gz IXQXOPUWJVDMEN-UWVGGRQHSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@@H](C)CN[C@H](C)c1c(F)cccc1F ZINC000037771926 388646979 /nfs/dbraw/zinc/64/69/79/388646979.db2.gz IXQXOPUWJVDMEN-NXEZZACHSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@H](C)CN[C@H](C)c1c(F)cccc1F ZINC000037771927 323362503 /nfs/dbraw/zinc/36/25/03/323362503.db2.gz IXQXOPUWJVDMEN-VHSXEESVSA-N 0 3 227.298 3.662 20 0 BHADHN Cc1ccccc1C[C@@H](C)N[C@@H](C)c1ccco1 ZINC000037776855 179288291 /nfs/dbraw/zinc/28/82/91/179288291.db2.gz LLHACVCBTOSROW-KGLIPLIRSA-N 0 3 243.350 3.870 20 0 BHADHN Cc1ccccc1C[C@H](C)N[C@@H](C)c1ccco1 ZINC000037776856 179291442 /nfs/dbraw/zinc/29/14/42/179291442.db2.gz LLHACVCBTOSROW-KBPBESRZSA-N 0 3 243.350 3.870 20 0 BHADHN Cc1ccccc1C[C@@H](C)N[C@H](C)c1ccco1 ZINC000037776857 179288149 /nfs/dbraw/zinc/28/81/49/179288149.db2.gz LLHACVCBTOSROW-ZIAGYGMSSA-N 0 3 243.350 3.870 20 0 BHADHN Cc1ccccc1C[C@H](C)N[C@H](C)c1ccco1 ZINC000037776858 179290947 /nfs/dbraw/zinc/29/09/47/179290947.db2.gz LLHACVCBTOSROW-UONOGXRCSA-N 0 3 243.350 3.870 20 0 BHADHN Cc1ccc(CN[C@H](C)Cc2ccccc2C)o1 ZINC000037777041 324576297 /nfs/dbraw/zinc/57/62/97/324576297.db2.gz PCIVEQYQFURHBK-CYBMUJFWSA-N 0 3 243.350 3.617 20 0 BHADHN Cc1ccc(CN[C@@H](C)Cc2ccccc2C)o1 ZINC000037777042 388648590 /nfs/dbraw/zinc/64/85/90/388648590.db2.gz PCIVEQYQFURHBK-ZDUSSCGKSA-N 0 3 243.350 3.617 20 0 BHADHN Cc1ncc(CN[C@H](C)c2ccc(C)cc2)s1 ZINC000037797645 384016141 /nfs/dbraw/zinc/01/61/41/384016141.db2.gz QKEUBMKSOFJGHJ-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ncc(CN[C@@H](C)c2ccc(C)cc2)s1 ZINC000037797646 384016779 /nfs/dbraw/zinc/01/67/79/384016779.db2.gz QKEUBMKSOFJGHJ-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc(C)c(CNCc2ccccc2)c1 ZINC000037854436 387906683 /nfs/dbraw/zinc/90/66/83/387906683.db2.gz QQJNHWGFFXXXCN-UHFFFAOYSA-N 0 3 225.335 3.593 20 0 BHADHN Cc1cccc(CNCc2ccccc2)c1C ZINC000037854437 179096394 /nfs/dbraw/zinc/09/63/94/179096394.db2.gz ZHUIUHPPFFXZHP-UHFFFAOYSA-N 0 3 225.335 3.593 20 0 BHADHN Cc1ccc(C)c(CNCc2cccs2)c1 ZINC000037854452 384028977 /nfs/dbraw/zinc/02/89/77/384028977.db2.gz HCIIQBMAPJIRTA-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1cccc(CNCc2cccs2)c1C ZINC000037854453 179096694 /nfs/dbraw/zinc/09/66/94/179096694.db2.gz HOFGYEZYWVPACY-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN c1csc(CNCCSc2ccccc2)c1 ZINC000037854574 188082625 /nfs/dbraw/zinc/08/26/25/188082625.db2.gz MUPPIJPDSFUQNG-UHFFFAOYSA-N 0 3 249.404 3.630 20 0 BHADHN c1cc(CNCCSc2ccccc2)cs1 ZINC000037854631 187392376 /nfs/dbraw/zinc/39/23/76/187392376.db2.gz QOCFCQKEQMSAQK-UHFFFAOYSA-N 0 3 249.404 3.630 20 0 BHADHN Cc1cc(C)cc(CNCc2ccccc2)c1 ZINC000037855242 350288221 /nfs/dbraw/zinc/28/82/21/350288221.db2.gz RENFBPKXQQFXIW-UHFFFAOYSA-N 0 3 225.335 3.593 20 0 BHADHN Cc1cc(C)cc(CNCc2cccs2)c1 ZINC000037855324 187261417 /nfs/dbraw/zinc/26/14/17/187261417.db2.gz ZDABNOLXDKCGMW-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1ccc(CNCC(C)(C)c2ccccc2)o1 ZINC000037864161 388649847 /nfs/dbraw/zinc/64/98/47/388649847.db2.gz ZCYQGQLEBIXQFS-UHFFFAOYSA-N 0 3 243.350 3.655 20 0 BHADHN c1coc(CNCCCC2CCCCC2)c1 ZINC000037897504 384036751 /nfs/dbraw/zinc/03/67/51/384036751.db2.gz FMLLTZHSEXMIIK-UHFFFAOYSA-N 0 3 221.344 3.730 20 0 BHADHN C[C@H](NCCSc1ccccc1)c1ccco1 ZINC000037904047 387567724 /nfs/dbraw/zinc/56/77/24/387567724.db2.gz HMQDVYCLGQVUNB-LBPRGKRZSA-N 0 3 247.363 3.723 20 0 BHADHN C[C@@H](NCCSc1ccccc1)c1ccco1 ZINC000037904048 387567893 /nfs/dbraw/zinc/56/78/93/387567893.db2.gz HMQDVYCLGQVUNB-GFCCVEGCSA-N 0 3 247.363 3.723 20 0 BHADHN CCC1CCC(CNCc2ccco2)CC1 ZINC000037905064 358479967 /nfs/dbraw/zinc/47/99/67/358479967.db2.gz KYJIQNXXLLSXDS-UHFFFAOYSA-N 0 3 221.344 3.586 20 0 BHADHN CCC1CCC(CNCc2ccc(C)o2)CC1 ZINC000037905066 363898543 /nfs/dbraw/zinc/89/85/43/363898543.db2.gz LTNHSPFMZXKSCX-UHFFFAOYSA-N 0 3 235.371 3.894 20 0 BHADHN CCc1ncc(CN[C@@H](C)c2ccccc2)s1 ZINC000037923646 172018638 /nfs/dbraw/zinc/01/86/38/172018638.db2.gz LECKICTUGBUHFE-NSHDSACASA-N 0 3 246.379 3.556 20 0 BHADHN CCc1ncc(CN[C@H](C)c2ccccc2)s1 ZINC000037923647 172020953 /nfs/dbraw/zinc/02/09/53/172020953.db2.gz LECKICTUGBUHFE-LLVKDONJSA-N 0 3 246.379 3.556 20 0 BHADHN CC(C)CNCc1cc(Cl)ccc1Cl ZINC000037927229 167008682 /nfs/dbraw/zinc/00/86/82/167008682.db2.gz LFOKZBRVLYBISG-UHFFFAOYSA-N 0 3 232.154 3.739 20 0 BHADHN Fc1cc(Cl)ccc1CNC1CCCC1 ZINC000037927340 343011321 /nfs/dbraw/zinc/01/13/21/343011321.db2.gz JZNHDSZDHVDWOP-UHFFFAOYSA-N 0 3 227.710 3.511 20 0 BHADHN Fc1ccc(Cl)cc1CNC1CCCCC1 ZINC000037927362 357408970 /nfs/dbraw/zinc/40/89/70/357408970.db2.gz FZBQWWLFGCDBFE-UHFFFAOYSA-N 0 3 241.737 3.901 20 0 BHADHN Fc1cc(Cl)ccc1CNC1CCCCC1 ZINC000037927384 363898660 /nfs/dbraw/zinc/89/86/60/363898660.db2.gz QRAJUDVOIJZTPT-UHFFFAOYSA-N 0 3 241.737 3.901 20 0 BHADHN C[C@H](NCC(C)(C)c1ccccc1)c1ccco1 ZINC000037934781 387064980 /nfs/dbraw/zinc/06/49/80/387064980.db2.gz OBOGIASXYBIWAA-ZDUSSCGKSA-N 0 3 243.350 3.908 20 0 BHADHN C[C@@H](NCC(C)(C)c1ccccc1)c1ccco1 ZINC000037934782 387065695 /nfs/dbraw/zinc/06/56/95/387065695.db2.gz OBOGIASXYBIWAA-CYBMUJFWSA-N 0 3 243.350 3.908 20 0 BHADHN Cc1cc(C)cc(CNCc2ccc(F)cc2)c1 ZINC000037978635 712793652 /nfs/dbraw/zinc/79/36/52/712793652.db2.gz PHUCIDNUWVQACN-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1ccc(CNCc2cc(C)cc(C)c2)cc1 ZINC000037978645 363899320 /nfs/dbraw/zinc/89/93/20/363899320.db2.gz HYVCDNWPVYLKNS-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1cc(C)cc(CN[C@@H](C)c2ccncc2)c1 ZINC000037978968 188116029 /nfs/dbraw/zinc/11/60/29/188116029.db2.gz YCUMSVWJDFAKPL-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cc(C)cc(CN[C@H](C)c2ccncc2)c1 ZINC000037978969 538964690 /nfs/dbraw/zinc/96/46/90/538964690.db2.gz YCUMSVWJDFAKPL-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cc(C)cc(CNCc2ccccc2C)c1 ZINC000037979047 363899365 /nfs/dbraw/zinc/89/93/65/363899365.db2.gz ONEBHTQGFQWWMK-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1cc(C)cc(CN[C@@H](C)c2cccnc2)c1 ZINC000037979116 343363832 /nfs/dbraw/zinc/36/38/32/343363832.db2.gz KPQZWJZOICHKIY-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cc(C)cc(CN[C@H](C)c2cccnc2)c1 ZINC000037979117 343363775 /nfs/dbraw/zinc/36/37/75/343363775.db2.gz KPQZWJZOICHKIY-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@@H](C)NCCC(C)(C)C)o1 ZINC000037979119 386112208 /nfs/dbraw/zinc/11/22/08/386112208.db2.gz CDPUOXFCJUSPOI-LLVKDONJSA-N 0 3 209.333 3.675 20 0 BHADHN Cc1ccc([C@H](C)NCCC(C)(C)C)o1 ZINC000037979120 386110060 /nfs/dbraw/zinc/11/00/60/386110060.db2.gz CDPUOXFCJUSPOI-NSHDSACASA-N 0 3 209.333 3.675 20 0 BHADHN CC(C)CCCNCc1ccccc1Cl ZINC000037984998 386108943 /nfs/dbraw/zinc/10/89/43/386108943.db2.gz RTMRVGIBBSAVTF-UHFFFAOYSA-N 0 3 225.763 3.866 20 0 BHADHN CCC1CCC(NCc2nc(C)cs2)CC1 ZINC000037988539 348023723 /nfs/dbraw/zinc/02/37/23/348023723.db2.gz NULNYYWQKASZOV-UHFFFAOYSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1csc(CNC2CCCCCCC2)n1 ZINC000037988542 179775986 /nfs/dbraw/zinc/77/59/86/179775986.db2.gz MZVVVXWRGTVRRO-UHFFFAOYSA-N 0 3 238.400 3.654 20 0 BHADHN CC[C@@H](C)NCc1cc(Cl)ccc1Cl ZINC000038065416 387199286 /nfs/dbraw/zinc/19/92/86/387199286.db2.gz ILGNHEHVXHKEAF-MRVPVSSYSA-N 0 3 232.154 3.882 20 0 BHADHN CC[C@H](C)NCc1cc(Cl)ccc1Cl ZINC000038065417 171343495 /nfs/dbraw/zinc/34/34/95/171343495.db2.gz ILGNHEHVXHKEAF-QMMMGPOBSA-N 0 3 232.154 3.882 20 0 BHADHN CC(C)NCc1ccc(-c2ccccc2)cc1F ZINC000038070642 167117547 /nfs/dbraw/zinc/11/75/47/167117547.db2.gz OLPGFBKNKACDCH-UHFFFAOYSA-N 0 3 243.325 3.991 20 0 BHADHN Fc1cc(-c2ccccc2)ccc1CNC1CC1 ZINC000038070643 363900199 /nfs/dbraw/zinc/90/01/99/363900199.db2.gz VCGPBUTYFOPBCA-UHFFFAOYSA-N 0 3 241.309 3.745 20 0 BHADHN Cc1cc(C)cc(CNCc2cccc(F)c2)c1 ZINC000038076737 187318511 /nfs/dbraw/zinc/31/85/11/187318511.db2.gz NLMFRHGIYOAZJR-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1cccc(CNCc2cc(C)cc(C)c2)c1 ZINC000038076771 179093862 /nfs/dbraw/zinc/09/38/62/179093862.db2.gz PJAOEHDOSWXXCC-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN CCCC(CCC)NCc1nc(C)cs1 ZINC000038090575 343059725 /nfs/dbraw/zinc/05/97/25/343059725.db2.gz MCJNXLYCIYWGJL-UHFFFAOYSA-N 0 3 226.389 3.510 20 0 BHADHN CC[C@@H](C)C[C@@H](CC)NCc1nc(C)cs1 ZINC000038090587 358483343 /nfs/dbraw/zinc/48/33/43/358483343.db2.gz BJHSORPRYIPABV-ZYHUDNBSSA-N 0 3 240.416 3.756 20 0 BHADHN CC[C@H](C[C@@H](C)CC)NCc1nc(C)cs1 ZINC000038090588 171296993 /nfs/dbraw/zinc/29/69/93/171296993.db2.gz BJHSORPRYIPABV-CMPLNLGQSA-N 0 3 240.416 3.756 20 0 BHADHN CC[C@@H](C)C[C@H](CC)NCc1nc(C)cs1 ZINC000038090589 387573664 /nfs/dbraw/zinc/57/36/64/387573664.db2.gz BJHSORPRYIPABV-PWSUYJOCSA-N 0 3 240.416 3.756 20 0 BHADHN CC[C@H](C)C[C@H](CC)NCc1nc(C)cs1 ZINC000038090590 171299186 /nfs/dbraw/zinc/29/91/86/171299186.db2.gz BJHSORPRYIPABV-JQWIXIFHSA-N 0 3 240.416 3.756 20 0 BHADHN CCCCC[C@@H](C)NCc1nc(C)cs1 ZINC000038090849 343059676 /nfs/dbraw/zinc/05/96/76/343059676.db2.gz NNESJQCQXCYMLI-SNVBAGLBSA-N 0 3 226.389 3.510 20 0 BHADHN CCCCC[C@H](C)NCc1nc(C)cs1 ZINC000038090850 343059680 /nfs/dbraw/zinc/05/96/80/343059680.db2.gz NNESJQCQXCYMLI-JTQLQIEISA-N 0 3 226.389 3.510 20 0 BHADHN CCCCCC[C@@H](C)NCc1nc(C)cs1 ZINC000038090902 711481705 /nfs/dbraw/zinc/48/17/05/711481705.db2.gz GUVROVDVTXMWSX-LLVKDONJSA-N 0 3 240.416 3.900 20 0 BHADHN CCCCCC[C@H](C)NCc1nc(C)cs1 ZINC000038090903 712807441 /nfs/dbraw/zinc/80/74/41/712807441.db2.gz GUVROVDVTXMWSX-NSHDSACASA-N 0 3 240.416 3.900 20 0 BHADHN Cc1csc(CN[C@@H](C)C2CCCCC2)n1 ZINC000038091052 187392885 /nfs/dbraw/zinc/39/28/85/187392885.db2.gz TXVPWWBLQYSSGU-NSHDSACASA-N 0 3 238.400 3.510 20 0 BHADHN Cc1csc(CN[C@H](C)C2CCCCC2)n1 ZINC000038091053 358483326 /nfs/dbraw/zinc/48/33/26/358483326.db2.gz TXVPWWBLQYSSGU-LLVKDONJSA-N 0 3 238.400 3.510 20 0 BHADHN CC(C)CCCN[C@@H](C)c1ccccc1F ZINC000038093335 388652814 /nfs/dbraw/zinc/65/28/14/388652814.db2.gz UCHALSLKIIFCGP-LBPRGKRZSA-N 0 3 223.335 3.913 20 0 BHADHN CC(C)CCCN[C@H](C)c1ccccc1F ZINC000038093336 324588917 /nfs/dbraw/zinc/58/89/17/324588917.db2.gz UCHALSLKIIFCGP-GFCCVEGCSA-N 0 3 223.335 3.913 20 0 BHADHN Cc1ccc([C@@H](C)NCCCC(C)C)o1 ZINC000038093360 384790271 /nfs/dbraw/zinc/79/02/71/384790271.db2.gz CGKYRTKCPVESEA-GFCCVEGCSA-N 0 3 209.333 3.675 20 0 BHADHN Cc1ccc([C@H](C)NCCCC(C)C)o1 ZINC000038093361 178888630 /nfs/dbraw/zinc/88/86/30/178888630.db2.gz CGKYRTKCPVESEA-LBPRGKRZSA-N 0 3 209.333 3.675 20 0 BHADHN Cc1nc([C@@H](C)NCCCC(C)C)c(C)s1 ZINC000038093542 538964657 /nfs/dbraw/zinc/96/46/57/538964657.db2.gz LFEBIYPQWZNMAW-SNVBAGLBSA-N 0 3 240.416 3.847 20 0 BHADHN Cc1nc([C@H](C)NCCCC(C)C)c(C)s1 ZINC000038093543 538964844 /nfs/dbraw/zinc/96/48/44/538964844.db2.gz LFEBIYPQWZNMAW-JTQLQIEISA-N 0 3 240.416 3.847 20 0 BHADHN Cc1nc([C@@H](C)NCCCC(C)C)cs1 ZINC000038093627 180034863 /nfs/dbraw/zinc/03/48/63/180034863.db2.gz ALIPSMGWNBBSHW-SNVBAGLBSA-N 0 3 226.389 3.538 20 0 BHADHN Cc1nc([C@H](C)NCCCC(C)C)cs1 ZINC000038093628 180049756 /nfs/dbraw/zinc/04/97/56/180049756.db2.gz ALIPSMGWNBBSHW-JTQLQIEISA-N 0 3 226.389 3.538 20 0 BHADHN CCN[C@@H](Cc1ccccc1)c1ccccc1F ZINC000038136511 388652707 /nfs/dbraw/zinc/65/27/07/388652707.db2.gz UQGFZTPBYXFYLM-INIZCTEOSA-N 0 3 243.325 3.719 20 0 BHADHN CCN[C@H](Cc1ccccc1)c1ccccc1F ZINC000038136512 388652573 /nfs/dbraw/zinc/65/25/73/388652573.db2.gz UQGFZTPBYXFYLM-MRXNPFEDSA-N 0 3 243.325 3.719 20 0 BHADHN Clc1ccc(/C=C/CN2CCCCC2)cc1 ZINC000038339761 342746862 /nfs/dbraw/zinc/74/68/62/342746862.db2.gz FJNWTYGQPASGQX-SNAWJCMRSA-N 0 3 235.758 3.839 20 0 BHADHN Cc1ccc(C)c(CN(C)Cc2ccccc2)c1 ZINC000039077099 344752859 /nfs/dbraw/zinc/75/28/59/344752859.db2.gz BJVHYUMKSVIVEE-UHFFFAOYSA-N 0 3 239.362 3.935 20 0 BHADHN Cc1ccc(CN(C)Cc2ccccc2C)cc1 ZINC000039151111 352586700 /nfs/dbraw/zinc/58/67/00/352586700.db2.gz KHYHYFYCROGPIT-UHFFFAOYSA-N 0 3 239.362 3.935 20 0 BHADHN c1ccc(CNc2ccnc3ccccc32)cc1 ZINC000039204262 388408500 /nfs/dbraw/zinc/40/85/00/388408500.db2.gz IEIBZPOWNOCCAT-UHFFFAOYSA-N 0 3 234.302 3.847 20 0 BHADHN C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000039614462 343713409 /nfs/dbraw/zinc/71/34/09/343713409.db2.gz RHGBYUYSXHYOEQ-LBPRGKRZSA-N 0 3 243.375 3.867 20 0 BHADHN C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000039614463 343713463 /nfs/dbraw/zinc/71/34/63/343713463.db2.gz RHGBYUYSXHYOEQ-GFCCVEGCSA-N 0 3 243.375 3.867 20 0 BHADHN CC(C)(C)C1CCC(NCc2ccco2)CC1 ZINC000040162610 384545916 /nfs/dbraw/zinc/54/59/16/384545916.db2.gz FBSCULYBMSJNQD-UHFFFAOYSA-N 0 3 235.371 3.974 20 0 BHADHN C[C@H](NCc1cccn1C)c1cccc(Cl)c1 ZINC000040176542 386564621 /nfs/dbraw/zinc/56/46/21/386564621.db2.gz GUUGCTOOKUAEIC-NSHDSACASA-N 0 3 248.757 3.529 20 0 BHADHN C[C@@H](NCc1cccn1C)c1cccc(Cl)c1 ZINC000040176543 352554343 /nfs/dbraw/zinc/55/43/43/352554343.db2.gz GUUGCTOOKUAEIC-LLVKDONJSA-N 0 3 248.757 3.529 20 0 BHADHN C[C@H](NCc1cccn1C)c1ccc(Cl)cc1 ZINC000040177288 386917108 /nfs/dbraw/zinc/91/71/08/386917108.db2.gz GFASFTQDUJYYHM-NSHDSACASA-N 0 3 248.757 3.529 20 0 BHADHN C[C@@H](NCc1cccn1C)c1ccc(Cl)cc1 ZINC000040177289 355398859 /nfs/dbraw/zinc/39/88/59/355398859.db2.gz GFASFTQDUJYYHM-LLVKDONJSA-N 0 3 248.757 3.529 20 0 BHADHN Cc1ccc(-c2nc(CNC(C)C)cs2)cc1 ZINC000040414278 178335466 /nfs/dbraw/zinc/33/54/66/178335466.db2.gz WEKUXPOAOQQJJR-UHFFFAOYSA-N 0 3 246.379 3.617 20 0 BHADHN CCCNCc1csc(-c2ccc(C)cc2)n1 ZINC000040415672 169269485 /nfs/dbraw/zinc/26/94/85/169269485.db2.gz WMKIFNVURRZZJZ-UHFFFAOYSA-N 0 3 246.379 3.618 20 0 BHADHN CCC1CCC(NCc2csc(C)n2)CC1 ZINC000040443776 358491624 /nfs/dbraw/zinc/49/16/24/358491624.db2.gz UBADUCVIRURJQE-UHFFFAOYSA-N 0 3 238.400 3.510 20 0 BHADHN CCCC1CCC(NCc2nccs2)CC1 ZINC000040444049 358491194 /nfs/dbraw/zinc/49/11/94/358491194.db2.gz NLJRJEVUWACPRF-UHFFFAOYSA-N 0 3 238.400 3.592 20 0 BHADHN Cc1nc(C)c([C@@H](C)NCc2ccccc2)s1 ZINC000040445922 343403339 /nfs/dbraw/zinc/40/33/39/343403339.db2.gz RIVZXGRYWVVEGK-SNVBAGLBSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1nc(C)c([C@H](C)NCc2ccccc2)s1 ZINC000040445923 343403619 /nfs/dbraw/zinc/40/36/19/343403619.db2.gz RIVZXGRYWVVEGK-JTQLQIEISA-N 0 3 246.379 3.611 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNCC(C)(C)C)o1 ZINC000040492386 384571014 /nfs/dbraw/zinc/57/10/14/384571014.db2.gz FGAVYVQUDCGITJ-PWSUYJOCSA-N 0 3 221.344 3.539 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNCC(C)(C)C)o1 ZINC000040492388 384570646 /nfs/dbraw/zinc/57/06/46/384570646.db2.gz FGAVYVQUDCGITJ-JQWIXIFHSA-N 0 3 221.344 3.539 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNCC(C)(C)C)o1 ZINC000040492390 384570117 /nfs/dbraw/zinc/57/01/17/384570117.db2.gz FGAVYVQUDCGITJ-ZYHUDNBSSA-N 0 3 221.344 3.539 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNCC(C)(C)C)o1 ZINC000040492393 384569161 /nfs/dbraw/zinc/56/91/61/384569161.db2.gz FGAVYVQUDCGITJ-CMPLNLGQSA-N 0 3 221.344 3.539 20 0 BHADHN C[C@H](NCC(C)(C)C)c1ccc(F)cc1F ZINC000040492578 322832012 /nfs/dbraw/zinc/83/20/12/322832012.db2.gz FYHGOMOMGWWYOH-VIFPVBQESA-N 0 3 227.298 3.662 20 0 BHADHN C[C@@H](NCC(C)(C)C)c1ccc(F)cc1F ZINC000040492579 322832166 /nfs/dbraw/zinc/83/21/66/322832166.db2.gz FYHGOMOMGWWYOH-SECBINFHSA-N 0 3 227.298 3.662 20 0 BHADHN C[C@H](NCC(C)(C)C)c1cc(F)ccc1F ZINC000040492597 384571219 /nfs/dbraw/zinc/57/12/19/384571219.db2.gz BKFQAEVSYZBXGH-VIFPVBQESA-N 0 3 227.298 3.662 20 0 BHADHN C[C@@H](NCC(C)(C)C)c1cc(F)ccc1F ZINC000040492598 322832008 /nfs/dbraw/zinc/83/20/08/322832008.db2.gz BKFQAEVSYZBXGH-SECBINFHSA-N 0 3 227.298 3.662 20 0 BHADHN CC(C)(C)CNCc1c(F)cccc1Cl ZINC000040492623 387798848 /nfs/dbraw/zinc/79/88/48/387798848.db2.gz DAAWSJWTSBGTQT-UHFFFAOYSA-N 0 3 229.726 3.615 20 0 BHADHN COc1ccc([C@H](C)NCC(C)(C)C)c(F)c1 ZINC000040492968 384575677 /nfs/dbraw/zinc/57/56/77/384575677.db2.gz QEBDHXQFXGOGAL-JTQLQIEISA-N 0 3 239.334 3.531 20 0 BHADHN COc1ccc([C@@H](C)NCC(C)(C)C)c(F)c1 ZINC000040492969 384575499 /nfs/dbraw/zinc/57/54/99/384575499.db2.gz QEBDHXQFXGOGAL-SNVBAGLBSA-N 0 3 239.334 3.531 20 0 BHADHN CC(C)(C)CNCc1ccc(F)cc1Cl ZINC000040493746 373331119 /nfs/dbraw/zinc/33/11/19/373331119.db2.gz ZLAYFORIBRDMRL-UHFFFAOYSA-N 0 3 229.726 3.615 20 0 BHADHN Cc1cccc(CC[C@@H](C)NCc2ccco2)c1 ZINC000040500385 179061231 /nfs/dbraw/zinc/06/12/31/179061231.db2.gz QTGWHSIYSSCVDR-CQSZACIVSA-N 0 3 243.350 3.699 20 0 BHADHN Cc1cccc(CC[C@H](C)NCc2ccco2)c1 ZINC000040500386 179061718 /nfs/dbraw/zinc/06/17/18/179061718.db2.gz QTGWHSIYSSCVDR-AWEZNQCLSA-N 0 3 243.350 3.699 20 0 BHADHN CCCCOCCNCc1c(C)cc(C)cc1C ZINC000040505978 322832921 /nfs/dbraw/zinc/83/29/21/322832921.db2.gz QRGDGLKOBOEBSJ-UHFFFAOYSA-N 0 3 249.398 3.518 20 0 BHADHN CCCCOCCNCc1ccc(C(C)C)cc1 ZINC000040506105 384578644 /nfs/dbraw/zinc/57/86/44/384578644.db2.gz UKQUORFLYXJFLI-UHFFFAOYSA-N 0 3 249.398 3.716 20 0 BHADHN CCCCOCCN[C@@H](C)c1ccc(C)cc1C ZINC000040506414 384577027 /nfs/dbraw/zinc/57/70/27/384577027.db2.gz DBQQCAMLWCPAHM-HNNXBMFYSA-N 0 3 249.398 3.771 20 0 BHADHN CCCCOCCN[C@H](C)c1ccc(C)cc1C ZINC000040506416 322832888 /nfs/dbraw/zinc/83/28/88/322832888.db2.gz DBQQCAMLWCPAHM-OAHLLOKOSA-N 0 3 249.398 3.771 20 0 BHADHN CCCCOCCN[C@@H](C)c1cc(C)ccc1C ZINC000040506422 384579655 /nfs/dbraw/zinc/57/96/55/384579655.db2.gz QDRPVTVLKPUUCJ-HNNXBMFYSA-N 0 3 249.398 3.771 20 0 BHADHN CCCCOCCN[C@H](C)c1cc(C)ccc1C ZINC000040506424 322833018 /nfs/dbraw/zinc/83/30/18/322833018.db2.gz QDRPVTVLKPUUCJ-OAHLLOKOSA-N 0 3 249.398 3.771 20 0 BHADHN CCCCOCCN[C@@H](C)c1ccc(C)c(C)c1 ZINC000040506564 322833277 /nfs/dbraw/zinc/83/32/77/322833277.db2.gz SDFLIXKGYXYYKF-HNNXBMFYSA-N 0 3 249.398 3.771 20 0 BHADHN CCCCOCCN[C@H](C)c1ccc(C)c(C)c1 ZINC000040506565 384577516 /nfs/dbraw/zinc/57/75/16/384577516.db2.gz SDFLIXKGYXYYKF-OAHLLOKOSA-N 0 3 249.398 3.771 20 0 BHADHN CCCCOCCN[C@@H](C)c1ccc(CC)cc1 ZINC000040506572 322833308 /nfs/dbraw/zinc/83/33/08/322833308.db2.gz LHHRHWMBVCRZOK-AWEZNQCLSA-N 0 3 249.398 3.716 20 0 BHADHN CCCCOCCN[C@H](C)c1ccc(CC)cc1 ZINC000040506574 384579772 /nfs/dbraw/zinc/57/97/72/384579772.db2.gz LHHRHWMBVCRZOK-CQSZACIVSA-N 0 3 249.398 3.716 20 0 BHADHN CCCCOCCN[C@@H](C)c1ccc(C)s1 ZINC000040506584 322833152 /nfs/dbraw/zinc/83/31/52/322833152.db2.gz VJCCVCXTERUHHW-LBPRGKRZSA-N 0 3 241.400 3.524 20 0 BHADHN CCCCOCCN[C@H](C)c1ccc(C)s1 ZINC000040506585 384578103 /nfs/dbraw/zinc/57/81/03/384578103.db2.gz VJCCVCXTERUHHW-GFCCVEGCSA-N 0 3 241.400 3.524 20 0 BHADHN CCCCOCCN[C@@H](CC)c1cccs1 ZINC000040506655 384576921 /nfs/dbraw/zinc/57/69/21/384576921.db2.gz AXJPIKDCOLDXLQ-LBPRGKRZSA-N 0 3 241.400 3.606 20 0 BHADHN CCCCOCCN[C@H](CC)c1cccs1 ZINC000040506656 384577014 /nfs/dbraw/zinc/57/70/14/384577014.db2.gz AXJPIKDCOLDXLQ-GFCCVEGCSA-N 0 3 241.400 3.606 20 0 BHADHN CCCCOCCNCc1cc(C)c(C)cc1C ZINC000040506900 343406229 /nfs/dbraw/zinc/40/62/29/343406229.db2.gz JHIOTGXITWIRMC-UHFFFAOYSA-N 0 3 249.398 3.518 20 0 BHADHN c1ccc2c(c1)nccc2NC1CCCCC1 ZINC000040835494 384595639 /nfs/dbraw/zinc/59/56/39/384595639.db2.gz XRSBCRPPSASDNY-UHFFFAOYSA-N 0 3 226.323 3.979 20 0 in-vivo BHADHN CCCNCc1cnc(C2CCCCC2)s1 ZINC000040996665 323111228 /nfs/dbraw/zinc/11/12/28/323111228.db2.gz WIWYZOGFVFSXKE-UHFFFAOYSA-N 0 3 238.400 3.690 20 0 BHADHN CC(C)NCc1cnc(C2CCCCC2)s1 ZINC000040996721 323111333 /nfs/dbraw/zinc/11/13/33/323111333.db2.gz LRRFUYCNVCMLPQ-UHFFFAOYSA-N 0 3 238.400 3.689 20 0 BHADHN CCNCc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000040997036 487640467 /nfs/dbraw/zinc/64/04/67/487640467.db2.gz DMGCCAOEFRRSGM-UHFFFAOYSA-N 0 3 246.379 3.536 20 0 BHADHN CC[C@H](NCc1cnc(C)s1)c1ccccc1 ZINC000040997377 343411743 /nfs/dbraw/zinc/41/17/43/343411743.db2.gz UIDDSNNGEIFQDE-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1cnc(C)s1)c1ccccc1 ZINC000040997378 343411729 /nfs/dbraw/zinc/41/17/29/343411729.db2.gz UIDDSNNGEIFQDE-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN Cc1ncc(CN[C@H](C)c2cccc(C)c2)s1 ZINC000040997766 179182315 /nfs/dbraw/zinc/18/23/15/179182315.db2.gz ZDQKAOLGBOLRRX-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ncc(CN[C@@H](C)c2cccc(C)c2)s1 ZINC000040997767 179196470 /nfs/dbraw/zinc/19/64/70/179196470.db2.gz ZDQKAOLGBOLRRX-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN CCCC(CCC)NCc1csc(C)n1 ZINC000041010426 538974058 /nfs/dbraw/zinc/97/40/58/538974058.db2.gz HNQJETKRZGTBPR-UHFFFAOYSA-N 0 3 226.389 3.510 20 0 BHADHN CC[C@@H](C)C[C@@H](CC)NCc1csc(C)n1 ZINC000041010431 538974170 /nfs/dbraw/zinc/97/41/70/538974170.db2.gz RZLQLFWYWSIAAZ-ZYHUDNBSSA-N 0 3 240.416 3.756 20 0 BHADHN CC[C@H](C[C@@H](C)CC)NCc1csc(C)n1 ZINC000041010432 538974174 /nfs/dbraw/zinc/97/41/74/538974174.db2.gz RZLQLFWYWSIAAZ-CMPLNLGQSA-N 0 3 240.416 3.756 20 0 BHADHN CC[C@@H](C)C[C@H](CC)NCc1csc(C)n1 ZINC000041010433 538974205 /nfs/dbraw/zinc/97/42/05/538974205.db2.gz RZLQLFWYWSIAAZ-PWSUYJOCSA-N 0 3 240.416 3.756 20 0 BHADHN CC[C@H](C)C[C@H](CC)NCc1csc(C)n1 ZINC000041010434 538974042 /nfs/dbraw/zinc/97/40/42/538974042.db2.gz RZLQLFWYWSIAAZ-JQWIXIFHSA-N 0 3 240.416 3.756 20 0 BHADHN Cc1nc(CN[C@@H](C)C2CCCCC2)cs1 ZINC000041010583 358504816 /nfs/dbraw/zinc/50/48/16/358504816.db2.gz BTIIJYRLCONOIK-JTQLQIEISA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@H](C)C2CCCCC2)cs1 ZINC000041010584 358505139 /nfs/dbraw/zinc/50/51/39/358505139.db2.gz BTIIJYRLCONOIK-SNVBAGLBSA-N 0 3 238.400 3.510 20 0 BHADHN CC(C)CC(CC(C)C)NCc1nccs1 ZINC000041012351 166779098 /nfs/dbraw/zinc/77/90/98/166779098.db2.gz AYTJYPZGKHQIBM-UHFFFAOYSA-N 0 3 240.416 3.694 20 0 BHADHN CCCCCC[C@@H](C)NCc1nccs1 ZINC000041012420 344412071 /nfs/dbraw/zinc/41/20/71/344412071.db2.gz XOTZXXVMWCASCJ-LLVKDONJSA-N 0 3 226.389 3.592 20 0 BHADHN CCCCCC[C@H](C)NCc1nccs1 ZINC000041012422 344411977 /nfs/dbraw/zinc/41/19/77/344411977.db2.gz XOTZXXVMWCASCJ-NSHDSACASA-N 0 3 226.389 3.592 20 0 BHADHN CCCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000041061493 322834298 /nfs/dbraw/zinc/83/42/98/322834298.db2.gz DZIDZAJTZGNSBZ-VIFPVBQESA-N 0 3 226.389 3.501 20 0 BHADHN CCCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000041061494 384595871 /nfs/dbraw/zinc/59/58/71/384595871.db2.gz DZIDZAJTZGNSBZ-SECBINFHSA-N 0 3 226.389 3.501 20 0 BHADHN CCc1ccc(-c2nc([C@H](C)N)sc2C)cc1 ZINC000041162307 352608125 /nfs/dbraw/zinc/60/81/25/352608125.db2.gz FAZPZBIYVHPDGI-VIFPVBQESA-N 0 3 246.379 3.701 20 0 BHADHN CCc1ccc([C@@H](C)NCc2cccnc2)s1 ZINC000041202992 387593302 /nfs/dbraw/zinc/59/33/02/387593302.db2.gz STYVFYXDSJLWOF-LLVKDONJSA-N 0 3 246.379 3.556 20 0 BHADHN CCc1ccc([C@H](C)NCc2cccnc2)s1 ZINC000041202995 387593216 /nfs/dbraw/zinc/59/32/16/387593216.db2.gz STYVFYXDSJLWOF-NSHDSACASA-N 0 3 246.379 3.556 20 0 BHADHN Cc1cccc(CN(C)Cc2cccs2)c1 ZINC000041392508 357128940 /nfs/dbraw/zinc/12/89/40/357128940.db2.gz VPBBWCIMYGQWKQ-UHFFFAOYSA-N 0 3 231.364 3.689 20 0 BHADHN Cc1ccc(CN(C)Cc2cccs2)cc1 ZINC000041392510 323208124 /nfs/dbraw/zinc/20/81/24/323208124.db2.gz IVECKKYSVLHUEA-UHFFFAOYSA-N 0 3 231.364 3.689 20 0 BHADHN Cc1ccccc1CN(C)Cc1cccs1 ZINC000041392519 357128685 /nfs/dbraw/zinc/12/86/85/357128685.db2.gz YURPXIQKGVPZOO-UHFFFAOYSA-N 0 3 231.364 3.689 20 0 BHADHN c1ccc2c(c1)nccc2NC1CCCC1 ZINC000041720231 384632536 /nfs/dbraw/zinc/63/25/36/384632536.db2.gz ODHKEUKJBJPBMW-UHFFFAOYSA-N 0 3 212.296 3.589 20 0 BHADHN CCC(CC)Nc1ccnc2ccccc21 ZINC000041720236 322836494 /nfs/dbraw/zinc/83/64/94/322836494.db2.gz YMGCXKFLJVTYKN-UHFFFAOYSA-N 0 3 214.312 3.835 20 0 BHADHN CCC[C@@H](C)Nc1ccnc2ccccc21 ZINC000041720261 343423132 /nfs/dbraw/zinc/42/31/32/343423132.db2.gz PYUOEPGYIXEUBT-LLVKDONJSA-N 0 3 214.312 3.835 20 0 BHADHN CCC[C@H](C)Nc1ccnc2ccccc21 ZINC000041720266 351596726 /nfs/dbraw/zinc/59/67/26/351596726.db2.gz PYUOEPGYIXEUBT-NSHDSACASA-N 0 3 214.312 3.835 20 0 BHADHN CCCCCNc1ccnc2ccccc21 ZINC000041720302 322836291 /nfs/dbraw/zinc/83/62/91/322836291.db2.gz XVCFYNWUBRIPHI-UHFFFAOYSA-N 0 3 214.312 3.837 20 0 BHADHN CC(C)CCNc1ccnc2ccccc21 ZINC000041720317 384632810 /nfs/dbraw/zinc/63/28/10/384632810.db2.gz XWAFOGNCPIXOPA-UHFFFAOYSA-N 0 3 214.312 3.693 20 0 BHADHN c1csc(CNc2ccnc3ccccc32)c1 ZINC000041720469 358514129 /nfs/dbraw/zinc/51/41/29/358514129.db2.gz OPRUEKJUQWUOSX-UHFFFAOYSA-N 0 3 240.331 3.908 20 0 BHADHN c1ccc2c(c1)nccc2NCC1CCCC1 ZINC000041720490 384631480 /nfs/dbraw/zinc/63/14/80/384631480.db2.gz FLBKLOHSHAAPJE-UHFFFAOYSA-N 0 3 226.323 3.837 20 0 BHADHN C[C@H](Nc1ccnc2ccccc21)c1ccccn1 ZINC000041720575 344441446 /nfs/dbraw/zinc/44/14/46/344441446.db2.gz MZDQGWHXULYOAR-LBPRGKRZSA-N 0 3 249.317 3.803 20 0 BHADHN C[C@@H](Nc1ccnc2ccccc21)c1ccccn1 ZINC000041720580 344441463 /nfs/dbraw/zinc/44/14/63/344441463.db2.gz MZDQGWHXULYOAR-GFCCVEGCSA-N 0 3 249.317 3.803 20 0 BHADHN CC(C)(C)CNc1ccnc2ccccc21 ZINC000041721076 384631912 /nfs/dbraw/zinc/63/19/12/384631912.db2.gz YAJHUPNOAKMCFU-UHFFFAOYSA-N 0 3 214.312 3.693 20 0 BHADHN C[C@@H](C1CC1)N(Cc1ccccc1F)C1CC1 ZINC000042123233 358518107 /nfs/dbraw/zinc/51/81/07/358518107.db2.gz OAGZBSOSILYPJJ-NSHDSACASA-N 0 3 233.330 3.589 20 0 BHADHN C[C@H](C1CC1)N(Cc1ccccc1F)C1CC1 ZINC000042123234 358518150 /nfs/dbraw/zinc/51/81/50/358518150.db2.gz OAGZBSOSILYPJJ-LLVKDONJSA-N 0 3 233.330 3.589 20 0 BHADHN CCN(Cc1ccco1)Cc1ccc(C)cc1 ZINC000042148275 368299838 /nfs/dbraw/zinc/29/98/38/368299838.db2.gz FFUWQWGGLHVNGI-UHFFFAOYSA-N 0 3 229.323 3.610 20 0 BHADHN CCN(Cc1ccco1)Cc1ccccc1C ZINC000042148356 323244079 /nfs/dbraw/zinc/24/40/79/323244079.db2.gz DUDRCEDBROFMFS-UHFFFAOYSA-N 0 3 229.323 3.610 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC2(C)CCCC2)o1 ZINC000042176382 342995504 /nfs/dbraw/zinc/99/55/04/342995504.db2.gz YDRHEOTZPPOYKP-YPMHNXCESA-N 0 3 233.355 3.825 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNC2(C)CCCC2)o1 ZINC000042176385 342995509 /nfs/dbraw/zinc/99/55/09/342995509.db2.gz YDRHEOTZPPOYKP-AAEUAGOBSA-N 0 3 233.355 3.825 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC2(C)CCCC2)o1 ZINC000042176387 342995566 /nfs/dbraw/zinc/99/55/66/342995566.db2.gz YDRHEOTZPPOYKP-DGCLKSJQSA-N 0 3 233.355 3.825 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNC2(C)CCCC2)o1 ZINC000042176389 342995679 /nfs/dbraw/zinc/99/56/79/342995679.db2.gz YDRHEOTZPPOYKP-WCQYABFASA-N 0 3 233.355 3.825 20 0 BHADHN CC1(NCc2ccc(F)cc2Cl)CCCC1 ZINC000042187307 342995711 /nfs/dbraw/zinc/99/57/11/342995711.db2.gz LHAJWYWUJDKOOR-UHFFFAOYSA-N 0 3 241.737 3.901 20 0 BHADHN Cc1ccc(C)c(CNCc2ccc(F)cc2)c1 ZINC000042209270 384632146 /nfs/dbraw/zinc/63/21/46/384632146.db2.gz PSCALSRAMWUTCJ-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1ccc(CNCc2cc(C)ccc2C)cc1 ZINC000042209284 342995526 /nfs/dbraw/zinc/99/55/26/342995526.db2.gz KDEJSWNNPCLFDN-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1ccc(C)c(CNCc2ccccc2C)c1 ZINC000042209327 384632591 /nfs/dbraw/zinc/63/25/91/384632591.db2.gz LZLCXRAEVGKAJR-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1ccc(C)c(CN[C@@H](C)c2cccnc2)c1 ZINC000042209417 384206647 /nfs/dbraw/zinc/20/66/47/384206647.db2.gz UYWPWDJNMAHZGO-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(C)c(CN[C@H](C)c2cccnc2)c1 ZINC000042209420 384206258 /nfs/dbraw/zinc/20/62/58/384206258.db2.gz UYWPWDJNMAHZGO-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN CCC1CCC(NCc2ccc(Cl)o2)CC1 ZINC000042210110 322836771 /nfs/dbraw/zinc/83/67/71/322836771.db2.gz NSVXCZXFUQSCIO-UHFFFAOYSA-N 0 3 241.762 3.991 20 0 BHADHN Cc1cccc(CNCc2cc(C)ccc2C)c1 ZINC000042238583 384636133 /nfs/dbraw/zinc/63/61/33/384636133.db2.gz YEFLVGHDHLKCHB-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1ccc(C)c(CNCc2cccc(F)c2)c1 ZINC000042249334 384635282 /nfs/dbraw/zinc/63/52/82/384635282.db2.gz YBKXHJJEEGIPGR-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN CCC1CCC(NCc2ccc(C)o2)CC1 ZINC000042337540 343435033 /nfs/dbraw/zinc/43/50/33/343435033.db2.gz HZDMMCPKHDVAOY-UHFFFAOYSA-N 0 3 221.344 3.646 20 0 BHADHN CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000042366077 368332576 /nfs/dbraw/zinc/33/25/76/368332576.db2.gz UOPSLIPFKZVXQY-UHFFFAOYSA-N 0 3 247.288 3.597 20 0 BHADHN C[C@@H](Cc1ccsc1)NCc1ccccc1F ZINC000042371721 322837853 /nfs/dbraw/zinc/83/78/53/322837853.db2.gz SDXGXBOVACOAJX-NSHDSACASA-N 0 3 249.354 3.608 20 0 BHADHN C[C@H](Cc1ccsc1)NCc1ccccc1F ZINC000042371722 384638913 /nfs/dbraw/zinc/63/89/13/384638913.db2.gz SDXGXBOVACOAJX-LLVKDONJSA-N 0 3 249.354 3.608 20 0 BHADHN CCN[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000042405391 384637878 /nfs/dbraw/zinc/63/78/78/384637878.db2.gz SKLFYUOKVANRER-SNVBAGLBSA-N 0 3 230.138 3.590 20 0 BHADHN CCN[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000042405393 384637304 /nfs/dbraw/zinc/63/73/04/384637304.db2.gz SKLFYUOKVANRER-JTQLQIEISA-N 0 3 230.138 3.590 20 0 BHADHN CCCN[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000042405501 322838237 /nfs/dbraw/zinc/83/82/37/322838237.db2.gz LPPWPRGSFDLAHL-LLVKDONJSA-N 0 3 244.165 3.980 20 0 BHADHN CCCN[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000042405503 322838220 /nfs/dbraw/zinc/83/82/20/322838220.db2.gz LPPWPRGSFDLAHL-NSHDSACASA-N 0 3 244.165 3.980 20 0 BHADHN CCN[C@@H](CC(F)(F)F)c1ccccc1C ZINC000042413390 170144141 /nfs/dbraw/zinc/14/41/41/170144141.db2.gz FWGRINVAIUJYCI-NSHDSACASA-N 0 3 231.261 3.598 20 0 BHADHN CCN[C@H](CC(F)(F)F)c1ccccc1C ZINC000042413391 170160942 /nfs/dbraw/zinc/16/09/42/170160942.db2.gz FWGRINVAIUJYCI-LLVKDONJSA-N 0 3 231.261 3.598 20 0 BHADHN CCCN[C@@H](CC(F)(F)F)c1ccccc1C ZINC000042413450 169278182 /nfs/dbraw/zinc/27/81/82/169278182.db2.gz DSWISMKEBROXKV-LBPRGKRZSA-N 0 3 245.288 3.988 20 0 BHADHN CCCN[C@H](CC(F)(F)F)c1ccccc1C ZINC000042413451 169288218 /nfs/dbraw/zinc/28/82/18/169288218.db2.gz DSWISMKEBROXKV-GFCCVEGCSA-N 0 3 245.288 3.988 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000042551888 384643930 /nfs/dbraw/zinc/64/39/30/384643930.db2.gz RQJHTHXUHFISKN-ZJQBRPOHSA-N 0 3 235.371 3.927 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(C)sc1C ZINC000042553110 538978160 /nfs/dbraw/zinc/97/81/60/538978160.db2.gz WHWPCUHKNUQRSV-AEJSXWLSSA-N 0 3 240.416 3.845 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(C)sc1C ZINC000042553116 538978355 /nfs/dbraw/zinc/97/83/55/538978355.db2.gz WHWPCUHKNUQRSV-GUBZILKMSA-N 0 3 240.416 3.845 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1csc(C)n1 ZINC000042553687 171366574 /nfs/dbraw/zinc/36/65/74/171366574.db2.gz RUZUAGPCYQYYIR-AEJSXWLSSA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1csc(C)n1 ZINC000042553693 171390246 /nfs/dbraw/zinc/39/02/46/171390246.db2.gz RUZUAGPCYQYYIR-GUBZILKMSA-N 0 3 226.389 3.537 20 0 BHADHN C[C@H](NCCc1ccsc1)c1ccccc1F ZINC000042598971 384642758 /nfs/dbraw/zinc/64/27/58/384642758.db2.gz JIESYNXFLOETMU-NSHDSACASA-N 0 3 249.354 3.781 20 0 BHADHN C[C@@H](NCCc1ccsc1)c1ccccc1F ZINC000042598976 175885719 /nfs/dbraw/zinc/88/57/19/175885719.db2.gz JIESYNXFLOETMU-LLVKDONJSA-N 0 3 249.354 3.781 20 0 BHADHN Cc1ccc([C@@H](C)NCCc2ccsc2)o1 ZINC000042599089 384231884 /nfs/dbraw/zinc/23/18/84/384231884.db2.gz WQGBLBKJCOFSLD-LLVKDONJSA-N 0 3 235.352 3.543 20 0 BHADHN Cc1ccc([C@H](C)NCCc2ccsc2)o1 ZINC000042599093 384229797 /nfs/dbraw/zinc/22/97/97/384229797.db2.gz WQGBLBKJCOFSLD-NSHDSACASA-N 0 3 235.352 3.543 20 0 BHADHN Cc1cc([C@@H](C)NCCc2ccsc2)c(C)o1 ZINC000042599878 178226690 /nfs/dbraw/zinc/22/66/90/178226690.db2.gz NACCCILBLRGDKI-LLVKDONJSA-N 0 3 249.379 3.851 20 0 BHADHN Cc1cc([C@H](C)NCCc2ccsc2)c(C)o1 ZINC000042599882 178249293 /nfs/dbraw/zinc/24/92/93/178249293.db2.gz NACCCILBLRGDKI-NSHDSACASA-N 0 3 249.379 3.851 20 0 BHADHN CC(C)=CCN(C)[C@@H]1CCc2ccccc21 ZINC000042643861 362013917 /nfs/dbraw/zinc/01/39/17/362013917.db2.gz WMHVJVFMUJNWMU-OAHLLOKOSA-N 0 3 215.340 3.572 20 0 BHADHN CC(C)=CCN(C)[C@H]1CCc2ccccc21 ZINC000042643862 362013971 /nfs/dbraw/zinc/01/39/71/362013971.db2.gz WMHVJVFMUJNWMU-HNNXBMFYSA-N 0 3 215.340 3.572 20 0 BHADHN C[C@@H]1CCCC[C@@H]1CNCc1ccc(Cl)o1 ZINC000042858086 384646420 /nfs/dbraw/zinc/64/64/20/384646420.db2.gz DZMNMFPJWBHMOJ-GHMZBOCLSA-N 0 3 241.762 3.849 20 0 BHADHN C[C@H]1CCCC[C@@H]1CNCc1ccc(Cl)o1 ZINC000042858088 384645643 /nfs/dbraw/zinc/64/56/43/384645643.db2.gz DZMNMFPJWBHMOJ-WDEREUQCSA-N 0 3 241.762 3.849 20 0 BHADHN C[C@@H]1CCCC[C@H]1CNCc1ccc(Cl)o1 ZINC000042858091 384645585 /nfs/dbraw/zinc/64/55/85/384645585.db2.gz DZMNMFPJWBHMOJ-MNOVXSKESA-N 0 3 241.762 3.849 20 0 BHADHN C[C@H]1CCCC[C@H]1CNCc1ccc(Cl)o1 ZINC000042858093 384646773 /nfs/dbraw/zinc/64/67/73/384646773.db2.gz DZMNMFPJWBHMOJ-QWRGUYRKSA-N 0 3 241.762 3.849 20 0 BHADHN CCCN1CCC(c2cccc(F)c2F)CC1 ZINC000043100984 323260610 /nfs/dbraw/zinc/26/06/10/323260610.db2.gz BKJAMHQSFZOUBK-UHFFFAOYSA-N 0 3 239.309 3.554 20 0 BHADHN CCCNCc1ccc(-c2cccc(F)c2C)o1 ZINC000043321739 384642530 /nfs/dbraw/zinc/64/25/30/384642530.db2.gz RWMPEKKOATUAFP-UHFFFAOYSA-N 0 3 247.313 3.894 20 0 BHADHN Fc1cc(CNCc2ccccc2)ccc1Cl ZINC000043388219 343001327 /nfs/dbraw/zinc/00/13/27/343001327.db2.gz MVZYJPHIGHUCME-UHFFFAOYSA-N 0 3 249.716 3.769 20 0 BHADHN c1ccc(CNCc2nccc3ccccc32)cc1 ZINC000043512623 385151684 /nfs/dbraw/zinc/15/16/84/385151684.db2.gz BPQOBXAFTMXCDA-UHFFFAOYSA-N 0 3 248.329 3.525 20 0 BHADHN C[C@@H](CCNCc1ccco1)c1ccccc1 ZINC000043532482 322839911 /nfs/dbraw/zinc/83/99/11/322839911.db2.gz OEPODGAOFJRSTK-ZDUSSCGKSA-N 0 3 229.323 3.563 20 0 BHADHN C[C@H](CCNCc1ccco1)c1ccccc1 ZINC000043532484 384649987 /nfs/dbraw/zinc/64/99/87/384649987.db2.gz OEPODGAOFJRSTK-CYBMUJFWSA-N 0 3 229.323 3.563 20 0 BHADHN CCN[C@@H](CC)c1ccccc1Br ZINC000043560838 170143847 /nfs/dbraw/zinc/14/38/47/170143847.db2.gz KEQMBZVSEHHBIH-NSHDSACASA-N 0 3 242.160 3.510 20 0 BHADHN CCN[C@H](CC)c1ccccc1Br ZINC000043560839 170161775 /nfs/dbraw/zinc/16/17/75/170161775.db2.gz KEQMBZVSEHHBIH-LLVKDONJSA-N 0 3 242.160 3.510 20 0 BHADHN c1ccc(CN(Cc2ccccc2)C2CC2)cc1 ZINC000043643048 368404406 /nfs/dbraw/zinc/40/44/06/368404406.db2.gz OOOAXKREAGDCBJ-UHFFFAOYSA-N 0 3 237.346 3.851 20 0 BHADHN CC(C)=CCN(Cc1ccccc1)C1CC1 ZINC000043643342 368405204 /nfs/dbraw/zinc/40/52/04/368405204.db2.gz HDRCWEMBVOMEIZ-UHFFFAOYSA-N 0 3 215.340 3.617 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H]2CC=CCC2)o1 ZINC000044346468 384654217 /nfs/dbraw/zinc/65/42/17/384654217.db2.gz IPQYLCRSKFZVCO-IPYPFGDCSA-N 0 3 245.366 3.849 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@H]2CC=CCC2)o1 ZINC000044346477 322841525 /nfs/dbraw/zinc/84/15/25/322841525.db2.gz IPQYLCRSKFZVCO-VNHYZAJKSA-N 0 3 245.366 3.849 20 0 BHADHN Cc1cc(N[C@@H]2CC2(C)C)c2ccccc2n1 ZINC000044367828 178179970 /nfs/dbraw/zinc/17/99/70/178179970.db2.gz CDJDHMQXFMEAPD-CQSZACIVSA-N 0 3 226.323 3.754 20 0 BHADHN Cc1cc(N[C@H]2CC2(C)C)c2ccccc2n1 ZINC000044367833 178187610 /nfs/dbraw/zinc/18/76/10/178187610.db2.gz CDJDHMQXFMEAPD-AWEZNQCLSA-N 0 3 226.323 3.754 20 0 BHADHN CC1(C)C[C@@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000044370395 322841747 /nfs/dbraw/zinc/84/17/47/322841747.db2.gz VUJXTRRFZRTPNY-NSHDSACASA-N 0 3 244.165 3.882 20 0 BHADHN CC1(C)C[C@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000044370400 322841828 /nfs/dbraw/zinc/84/18/28/322841828.db2.gz VUJXTRRFZRTPNY-LLVKDONJSA-N 0 3 244.165 3.882 20 0 BHADHN CCc1oc2ccccc2c1CN[C@@H]1CC1(C)C ZINC000044370943 172112879 /nfs/dbraw/zinc/11/28/79/172112879.db2.gz KCNVEZUTGSMCLI-OAHLLOKOSA-N 0 3 243.350 3.883 20 0 BHADHN CCc1oc2ccccc2c1CN[C@H]1CC1(C)C ZINC000044370948 172112833 /nfs/dbraw/zinc/11/28/33/172112833.db2.gz KCNVEZUTGSMCLI-HNNXBMFYSA-N 0 3 243.350 3.883 20 0 BHADHN CC1(C)C[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000044371156 322841735 /nfs/dbraw/zinc/84/17/35/322841735.db2.gz YCQZLCMUPWOWFR-NSHDSACASA-N 0 3 244.165 3.882 20 0 BHADHN CC1(C)C[C@H]1NCc1ccc(Cl)cc1Cl ZINC000044371161 322841791 /nfs/dbraw/zinc/84/17/91/322841791.db2.gz YCQZLCMUPWOWFR-LLVKDONJSA-N 0 3 244.165 3.882 20 0 BHADHN CC1(C)C[C@@H]1NCc1cccc(Cl)c1Cl ZINC000044371166 384655766 /nfs/dbraw/zinc/65/57/66/384655766.db2.gz NBJOSZBSZNMCBP-JTQLQIEISA-N 0 3 244.165 3.882 20 0 BHADHN CC1(C)C[C@H]1NCc1cccc(Cl)c1Cl ZINC000044371171 384655751 /nfs/dbraw/zinc/65/57/51/384655751.db2.gz NBJOSZBSZNMCBP-SNVBAGLBSA-N 0 3 244.165 3.882 20 0 BHADHN CC1(C)C[C@@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000044371863 384655709 /nfs/dbraw/zinc/65/57/09/384655709.db2.gz DPDXXLVANPATGI-NSHDSACASA-N 0 3 244.165 3.882 20 0 BHADHN CC1(C)C[C@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000044371869 322841820 /nfs/dbraw/zinc/84/18/20/322841820.db2.gz DPDXXLVANPATGI-LLVKDONJSA-N 0 3 244.165 3.882 20 0 BHADHN CC1(C)C[C@@H]1NCc1ccccc1C(F)(F)F ZINC000044371883 187232363 /nfs/dbraw/zinc/23/23/63/187232363.db2.gz QPORFPYPEFNIPM-NSHDSACASA-N 0 3 243.272 3.594 20 0 BHADHN CC1(C)C[C@H]1NCc1ccccc1C(F)(F)F ZINC000044371888 358548200 /nfs/dbraw/zinc/54/82/00/358548200.db2.gz QPORFPYPEFNIPM-LLVKDONJSA-N 0 3 243.272 3.594 20 0 BHADHN Cc1ccccc1[C@@H](C)NCCOCCC(C)C ZINC000044388389 322910212 /nfs/dbraw/zinc/91/02/12/322910212.db2.gz SKRFAVIUOLIERZ-OAHLLOKOSA-N 0 3 249.398 3.708 20 0 BHADHN Cc1ccccc1[C@H](C)NCCOCCC(C)C ZINC000044388392 384654751 /nfs/dbraw/zinc/65/47/51/384654751.db2.gz SKRFAVIUOLIERZ-HNNXBMFYSA-N 0 3 249.398 3.708 20 0 BHADHN Cc1ccc([C@@H](C)NCCOCCC(C)C)cc1 ZINC000044388877 322841642 /nfs/dbraw/zinc/84/16/42/322841642.db2.gz OYBQZMDJBWMQDK-OAHLLOKOSA-N 0 3 249.398 3.708 20 0 BHADHN Cc1ccc([C@H](C)NCCOCCC(C)C)cc1 ZINC000044388880 384330859 /nfs/dbraw/zinc/33/08/59/384330859.db2.gz OYBQZMDJBWMQDK-HNNXBMFYSA-N 0 3 249.398 3.708 20 0 BHADHN c1ccc(CN2CCC3(CCCCC3)CC2)nc1 ZINC000044460245 183395968 /nfs/dbraw/zinc/39/59/68/183395968.db2.gz QUNQARILRHADHE-UHFFFAOYSA-N 0 3 244.382 3.628 20 0 BHADHN c1ccc(C(NC2CCC2)c2ccccc2)cc1 ZINC000044480196 183387454 /nfs/dbraw/zinc/38/74/54/183387454.db2.gz UKKHMSBHCAJUSY-UHFFFAOYSA-N 0 3 237.346 3.918 20 0 BHADHN C[C@H](NC1CCC1)c1ccccc1Cl ZINC000044480265 384745963 /nfs/dbraw/zinc/74/59/63/384745963.db2.gz GVEFZHUZIYANJI-VIFPVBQESA-N 0 3 209.720 3.543 20 0 BHADHN C[C@@H](NC1CCC1)c1ccccc1Cl ZINC000044480267 384747033 /nfs/dbraw/zinc/74/70/33/384747033.db2.gz GVEFZHUZIYANJI-SECBINFHSA-N 0 3 209.720 3.543 20 0 BHADHN Fc1ccc2c(c1)[C@H](NC1CCC1)CCS2 ZINC000044480976 358549980 /nfs/dbraw/zinc/54/99/80/358549980.db2.gz BAUWTEZEHMXDFN-GFCCVEGCSA-N 0 3 237.343 3.505 20 0 BHADHN Fc1ccc2c(c1)[C@@H](NC1CCC1)CCS2 ZINC000044480979 358549717 /nfs/dbraw/zinc/54/97/17/358549717.db2.gz BAUWTEZEHMXDFN-LBPRGKRZSA-N 0 3 237.343 3.505 20 0 BHADHN Cc1cc([C@@H]2CCCN2CC2CCCCC2)no1 ZINC000044590924 342690830 /nfs/dbraw/zinc/69/08/30/342690830.db2.gz RELPKFCEGIPDLW-HNNXBMFYSA-N 0 3 248.370 3.700 20 0 BHADHN Cc1cc([C@H]2CCCN2CC2CCCCC2)no1 ZINC000044590926 342690782 /nfs/dbraw/zinc/69/07/82/342690782.db2.gz RELPKFCEGIPDLW-OAHLLOKOSA-N 0 3 248.370 3.700 20 0 BHADHN c1coc(CN(CC2CCCCC2)C2CC2)c1 ZINC000044648819 342692321 /nfs/dbraw/zinc/69/23/21/342692321.db2.gz HDKZGBKAUHOBFO-UHFFFAOYSA-N 0 3 233.355 3.824 20 0 BHADHN CCOC[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000044689693 386728495 /nfs/dbraw/zinc/72/84/95/386728495.db2.gz RWZZOPDDEUXZMS-NEPJUHHUSA-N 0 3 247.338 3.508 20 0 BHADHN CCOC[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000044689696 386727393 /nfs/dbraw/zinc/72/73/93/386727393.db2.gz RWZZOPDDEUXZMS-RYUDHWBXSA-N 0 3 247.338 3.508 20 0 BHADHN CCOC[C@@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000044689699 386726753 /nfs/dbraw/zinc/72/67/53/386726753.db2.gz RWZZOPDDEUXZMS-VXGBXAGGSA-N 0 3 247.338 3.508 20 0 BHADHN CCOC[C@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000044689700 386726643 /nfs/dbraw/zinc/72/66/43/386726643.db2.gz RWZZOPDDEUXZMS-NWDGAFQWSA-N 0 3 247.338 3.508 20 0 BHADHN Cc1cc(CNC(CC(C)C)CC(C)C)no1 ZINC000044692575 384662996 /nfs/dbraw/zinc/66/29/96/384662996.db2.gz DQNPUDWVCDYFPF-UHFFFAOYSA-N 0 3 238.375 3.533 20 0 BHADHN c1csc(CN(Cc2ccccc2)C2CC2)c1 ZINC000044872960 342748382 /nfs/dbraw/zinc/74/83/82/342748382.db2.gz WHVDHYVCRLHZCD-UHFFFAOYSA-N 0 3 243.375 3.913 20 0 BHADHN Cc1cc(CNC(CC(C)C)CC(C)C)on1 ZINC000044986022 384664429 /nfs/dbraw/zinc/66/44/29/384664429.db2.gz ZFKLFJJSLOXHLB-UHFFFAOYSA-N 0 3 238.375 3.533 20 0 BHADHN CC(C)=CCN(Cc1cccs1)C1CC1 ZINC000045006995 387956400 /nfs/dbraw/zinc/95/64/00/387956400.db2.gz IBAFHLXOCOKCFV-UHFFFAOYSA-N 0 3 221.369 3.679 20 0 BHADHN CC1(NCc2ccc(F)cc2F)CCCCC1 ZINC000045042180 343521912 /nfs/dbraw/zinc/52/19/12/343521912.db2.gz GXPXMYFIDIUNBI-UHFFFAOYSA-N 0 3 239.309 3.777 20 0 BHADHN CC1(NCc2cc(F)ccc2F)CCCCC1 ZINC000045042648 322844092 /nfs/dbraw/zinc/84/40/92/322844092.db2.gz ISPLCGHIOPGRHE-UHFFFAOYSA-N 0 3 239.309 3.777 20 0 BHADHN CC1(NCc2ccc(Cl)o2)CCCCC1 ZINC000045042657 384664537 /nfs/dbraw/zinc/66/45/37/384664537.db2.gz PCWQGZVGNLUROW-UHFFFAOYSA-N 0 3 227.735 3.745 20 0 BHADHN CC1(NCc2cccc(F)c2F)CCCCC1 ZINC000045045575 352562747 /nfs/dbraw/zinc/56/27/47/352562747.db2.gz BGKKNNZDULEKMZ-UHFFFAOYSA-N 0 3 239.309 3.777 20 0 BHADHN Cc1cccc([C@@H](C)NCCOCCC(C)C)c1 ZINC000045094233 384662126 /nfs/dbraw/zinc/66/21/26/384662126.db2.gz ANBOXAQVDHIKCL-OAHLLOKOSA-N 0 3 249.398 3.708 20 0 BHADHN Cc1cccc([C@H](C)NCCOCCC(C)C)c1 ZINC000045094234 322843415 /nfs/dbraw/zinc/84/34/15/322843415.db2.gz ANBOXAQVDHIKCL-HNNXBMFYSA-N 0 3 249.398 3.708 20 0 BHADHN C[C@H](N[C@@H]1CC1(C)C)c1ccccc1Cl ZINC000045115292 384662838 /nfs/dbraw/zinc/66/28/38/384662838.db2.gz RNLPQJZNNSFCAG-JOYOIKCWSA-N 0 3 223.747 3.789 20 0 BHADHN C[C@@H](N[C@@H]1CC1(C)C)c1ccccc1Cl ZINC000045115294 384662821 /nfs/dbraw/zinc/66/28/21/384662821.db2.gz RNLPQJZNNSFCAG-BXKDBHETSA-N 0 3 223.747 3.789 20 0 BHADHN C[C@H](N[C@H]1CC1(C)C)c1ccccc1Cl ZINC000045115296 384661144 /nfs/dbraw/zinc/66/11/44/384661144.db2.gz RNLPQJZNNSFCAG-CABZTGNLSA-N 0 3 223.747 3.789 20 0 BHADHN C[C@@H](N[C@H]1CC1(C)C)c1ccccc1Cl ZINC000045115298 322843749 /nfs/dbraw/zinc/84/37/49/322843749.db2.gz RNLPQJZNNSFCAG-SKDRFNHKSA-N 0 3 223.747 3.789 20 0 BHADHN CC1(C)C[C@@H]1N[C@@H]1CCSc2ccccc21 ZINC000045115518 358558773 /nfs/dbraw/zinc/55/87/73/358558773.db2.gz GNVLKBIKTOLBTH-YPMHNXCESA-N 0 3 233.380 3.612 20 0 BHADHN CC1(C)C[C@H]1N[C@@H]1CCSc2ccccc21 ZINC000045115520 387705442 /nfs/dbraw/zinc/70/54/42/387705442.db2.gz GNVLKBIKTOLBTH-DGCLKSJQSA-N 0 3 233.380 3.612 20 0 BHADHN CC1(C)C[C@@H]1N[C@H]1CCSc2ccccc21 ZINC000045115522 187232549 /nfs/dbraw/zinc/23/25/49/187232549.db2.gz GNVLKBIKTOLBTH-AAEUAGOBSA-N 0 3 233.380 3.612 20 0 BHADHN CC1(C)C[C@H]1N[C@H]1CCSc2ccccc21 ZINC000045115524 358558949 /nfs/dbraw/zinc/55/89/49/358558949.db2.gz GNVLKBIKTOLBTH-WCQYABFASA-N 0 3 233.380 3.612 20 0 BHADHN CCOc1ccccc1[C@@H](C)N[C@@H]1CC1(C)C ZINC000045115552 358559028 /nfs/dbraw/zinc/55/90/28/358559028.db2.gz PCFDRQVYZSBCFU-BXUZGUMPSA-N 0 3 233.355 3.534 20 0 BHADHN CCOc1ccccc1[C@H](C)N[C@@H]1CC1(C)C ZINC000045115554 358559047 /nfs/dbraw/zinc/55/90/47/358559047.db2.gz PCFDRQVYZSBCFU-SMDDNHRTSA-N 0 3 233.355 3.534 20 0 BHADHN CCOc1ccccc1[C@@H](C)N[C@H]1CC1(C)C ZINC000045115556 358558924 /nfs/dbraw/zinc/55/89/24/358558924.db2.gz PCFDRQVYZSBCFU-RISCZKNCSA-N 0 3 233.355 3.534 20 0 BHADHN CCOc1ccccc1[C@H](C)N[C@H]1CC1(C)C ZINC000045115559 358558791 /nfs/dbraw/zinc/55/87/91/358558791.db2.gz PCFDRQVYZSBCFU-FZMZJTMJSA-N 0 3 233.355 3.534 20 0 BHADHN C[C@H](N[C@@H]1CC1(C)C)c1cc2ccccc2o1 ZINC000045116296 322843733 /nfs/dbraw/zinc/84/37/33/322843733.db2.gz MCAGCXAHDZVDIC-IINYFYTJSA-N 0 3 229.323 3.882 20 0 BHADHN C[C@@H](N[C@@H]1CC1(C)C)c1cc2ccccc2o1 ZINC000045116299 322843741 /nfs/dbraw/zinc/84/37/41/322843741.db2.gz MCAGCXAHDZVDIC-QMTHXVAHSA-N 0 3 229.323 3.882 20 0 BHADHN C[C@H](N[C@H]1CC1(C)C)c1cc2ccccc2o1 ZINC000045116301 384663123 /nfs/dbraw/zinc/66/31/23/384663123.db2.gz MCAGCXAHDZVDIC-HZMBPMFUSA-N 0 3 229.323 3.882 20 0 BHADHN C[C@@H](N[C@H]1CC1(C)C)c1cc2ccccc2o1 ZINC000045116304 322843589 /nfs/dbraw/zinc/84/35/89/322843589.db2.gz MCAGCXAHDZVDIC-YGRLFVJLSA-N 0 3 229.323 3.882 20 0 BHADHN C[C@H](N[C@@H]1CC1(C)C)c1ccc(Cl)s1 ZINC000045116922 384663232 /nfs/dbraw/zinc/66/32/32/384663232.db2.gz XINZLYXZRJIJDF-IONNQARKSA-N 0 3 229.776 3.851 20 0 BHADHN C[C@@H](N[C@@H]1CC1(C)C)c1ccc(Cl)s1 ZINC000045116924 384660707 /nfs/dbraw/zinc/66/07/07/384660707.db2.gz XINZLYXZRJIJDF-VXNVDRBHSA-N 0 3 229.776 3.851 20 0 BHADHN C[C@H](N[C@H]1CC1(C)C)c1ccc(Cl)s1 ZINC000045116926 384661865 /nfs/dbraw/zinc/66/18/65/384661865.db2.gz XINZLYXZRJIJDF-CBAPKCEASA-N 0 3 229.776 3.851 20 0 BHADHN C[C@@H](N[C@H]1CC1(C)C)c1ccc(Cl)s1 ZINC000045116928 384661831 /nfs/dbraw/zinc/66/18/31/384661831.db2.gz XINZLYXZRJIJDF-APPZFPTMSA-N 0 3 229.776 3.851 20 0 BHADHN CC[C@H](N[C@@H]1CC1(C)C)c1ccccc1OC ZINC000045117222 358559699 /nfs/dbraw/zinc/55/96/99/358559699.db2.gz ZUDZEMWIISRURY-GXTWGEPZSA-N 0 3 233.355 3.534 20 0 BHADHN CC[C@@H](N[C@@H]1CC1(C)C)c1ccccc1OC ZINC000045117225 170909630 /nfs/dbraw/zinc/90/96/30/170909630.db2.gz ZUDZEMWIISRURY-TZMCWYRMSA-N 0 3 233.355 3.534 20 0 BHADHN CC[C@H](N[C@H]1CC1(C)C)c1ccccc1OC ZINC000045117227 358559646 /nfs/dbraw/zinc/55/96/46/358559646.db2.gz ZUDZEMWIISRURY-JSGCOSHPSA-N 0 3 233.355 3.534 20 0 BHADHN CC[C@@H](N[C@H]1CC1(C)C)c1ccccc1OC ZINC000045117229 358559677 /nfs/dbraw/zinc/55/96/77/358559677.db2.gz ZUDZEMWIISRURY-OCCSQVGLSA-N 0 3 233.355 3.534 20 0 BHADHN CC(C)C[C@@H](C)N(C)Cc1nc2ccccc2o1 ZINC000045769871 342919034 /nfs/dbraw/zinc/91/90/34/342919034.db2.gz OYHDTECSUGEFRU-GFCCVEGCSA-N 0 3 246.354 3.694 20 0 BHADHN CC(C)C[C@H](C)N(C)Cc1nc2ccccc2o1 ZINC000045769872 342919115 /nfs/dbraw/zinc/91/91/15/342919115.db2.gz OYHDTECSUGEFRU-LBPRGKRZSA-N 0 3 246.354 3.694 20 0 BHADHN CCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000045770771 343534032 /nfs/dbraw/zinc/53/40/32/343534032.db2.gz YIPZOAWSRKHOIC-UHFFFAOYSA-N 0 3 244.165 3.978 20 0 BHADHN CCN(Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000045770796 387993523 /nfs/dbraw/zinc/99/35/23/387993523.db2.gz XECRCSIOXCSMSP-UHFFFAOYSA-N 0 3 243.272 3.690 20 0 BHADHN CCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000045770876 368432531 /nfs/dbraw/zinc/43/25/31/368432531.db2.gz JFDHHJSWPHYOIB-UHFFFAOYSA-N 0 3 243.272 3.690 20 0 BHADHN CC(C)=CCN1CCC[C@@H]1c1ccsc1 ZINC000046089415 384685860 /nfs/dbraw/zinc/68/58/60/384685860.db2.gz FCXZVEFDDSQGKW-CYBMUJFWSA-N 0 3 221.369 3.851 20 0 BHADHN CC(C)=CCN1CCC[C@H]1c1ccsc1 ZINC000046089416 384686677 /nfs/dbraw/zinc/68/66/77/384686677.db2.gz FCXZVEFDDSQGKW-ZDUSSCGKSA-N 0 3 221.369 3.851 20 0 BHADHN CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000046601507 388033473 /nfs/dbraw/zinc/03/34/73/388033473.db2.gz QDTAAPIOIAULBX-UHFFFAOYSA-N 0 3 230.138 3.588 20 0 BHADHN CCCCN(Cc1nc2ccccc2o1)C1CC1 ZINC000046773122 343550330 /nfs/dbraw/zinc/55/03/30/343550330.db2.gz GWGGNDCMOFVZPZ-UHFFFAOYSA-N 0 3 244.338 3.592 20 0 BHADHN CCCCCN(Cc1c(C)noc1C)C(C)C ZINC000047628014 387776803 /nfs/dbraw/zinc/77/68/03/387776803.db2.gz WQCPYLGLANSZCT-UHFFFAOYSA-N 0 3 238.375 3.692 20 0 BHADHN CCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000047698130 343436857 /nfs/dbraw/zinc/43/68/57/343436857.db2.gz DYSQFFSIOBBQAJ-SMDDNHRTSA-N 0 3 233.355 3.777 20 0 BHADHN CCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000047698131 343437147 /nfs/dbraw/zinc/43/71/47/343437147.db2.gz DYSQFFSIOBBQAJ-FZMZJTMJSA-N 0 3 233.355 3.777 20 0 BHADHN CCCN(CC)Cc1ccc(Cl)s1 ZINC000047698630 343015778 /nfs/dbraw/zinc/01/57/78/343015778.db2.gz UJTFWJHMMDIKIE-UHFFFAOYSA-N 0 3 217.765 3.633 20 0 BHADHN CCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000047702194 411163169 /nfs/dbraw/zinc/16/31/69/411163169.db2.gz GNPISEDDTNVWDO-CYBMUJFWSA-N 0 3 223.747 3.887 20 0 BHADHN CCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000047702196 411163034 /nfs/dbraw/zinc/16/30/34/411163034.db2.gz GNPISEDDTNVWDO-ZDUSSCGKSA-N 0 3 223.747 3.887 20 0 BHADHN CCCN(Cc1ccco1)Cc1ccccc1 ZINC000047717206 343467244 /nfs/dbraw/zinc/46/72/44/343467244.db2.gz PGKDESCMZKMMFO-UHFFFAOYSA-N 0 3 229.323 3.692 20 0 BHADHN Cc1cccc(CNCc2cccc(F)c2)c1C ZINC000047850346 179093331 /nfs/dbraw/zinc/09/33/31/179093331.db2.gz DEHSIKYDYWWNRZ-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN C=C(Cl)CN(C1CC1)C1CCCCC1 ZINC000047904533 641668735 /nfs/dbraw/zinc/66/87/35/641668735.db2.gz AYBUABGUNFHKHD-UHFFFAOYSA-N 0 3 213.752 3.536 20 0 BHADHN Cc1ccc([C@@H](C)N(C)C[C@@H]2CCCCO2)cc1 ZINC000047960035 487881536 /nfs/dbraw/zinc/88/15/36/487881536.db2.gz GPIJKWSYTCQNTF-ZBFHGGJFSA-N 0 3 247.382 3.557 20 0 BHADHN Cc1ccc([C@H](C)N(C)C[C@@H]2CCCCO2)cc1 ZINC000047960036 487881003 /nfs/dbraw/zinc/88/10/03/487881003.db2.gz GPIJKWSYTCQNTF-HOCLYGCPSA-N 0 3 247.382 3.557 20 0 BHADHN CCN(Cc1cccc(F)c1F)C1CCCC1 ZINC000047966182 342930644 /nfs/dbraw/zinc/93/06/44/342930644.db2.gz BRMVJTFWWLFKCN-UHFFFAOYSA-N 0 3 239.309 3.729 20 0 BHADHN CCN(Cc1ccccc1F)C1CCCC1 ZINC000047966699 342930454 /nfs/dbraw/zinc/93/04/54/342930454.db2.gz VOYHDSGSJSXVTN-UHFFFAOYSA-N 0 3 221.319 3.590 20 0 BHADHN Cc1noc(C)c1CN(C1CC1)C1CCCCC1 ZINC000048008920 411173854 /nfs/dbraw/zinc/17/38/54/411173854.db2.gz WVCXIZYCWINPOC-UHFFFAOYSA-N 0 3 248.370 3.589 20 0 BHADHN Cc1ccc(CNCc2ccc(C)cc2C)s1 ZINC000048068679 384475335 /nfs/dbraw/zinc/47/53/35/384475335.db2.gz GELUBLUYZKUHPN-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1ccc(CNCc2cc(C)ccc2C)s1 ZINC000048068681 384671848 /nfs/dbraw/zinc/67/18/48/384671848.db2.gz KVANRTANIISZBW-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1ccc(CNCc2cccc(C)c2C)s1 ZINC000048068700 178617016 /nfs/dbraw/zinc/61/70/16/178617016.db2.gz WKNZTVPTLFPJPW-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1ccc(CNCc2ccc(C)c(C)c2)s1 ZINC000048068702 178615616 /nfs/dbraw/zinc/61/56/16/178615616.db2.gz HISWKIUKEMAWPQ-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN CCc1ccc(CNCc2ccc(C)s2)cc1 ZINC000048068782 322845539 /nfs/dbraw/zinc/84/55/39/322845539.db2.gz LQEACDMPOLWZMS-UHFFFAOYSA-N 0 3 245.391 3.909 20 0 BHADHN CCC[C@@H](C)N(C)Cc1cccc(F)c1F ZINC000048071253 350792636 /nfs/dbraw/zinc/79/26/36/350792636.db2.gz MQAUCNDENNCKGO-SNVBAGLBSA-N 0 3 227.298 3.585 20 0 BHADHN CCC[C@H](C)N(C)Cc1cccc(F)c1F ZINC000048071254 350792577 /nfs/dbraw/zinc/79/25/77/350792577.db2.gz MQAUCNDENNCKGO-JTQLQIEISA-N 0 3 227.298 3.585 20 0 BHADHN Cc1cccc(CNCc2ccc(F)cc2)c1C ZINC000048241955 179093282 /nfs/dbraw/zinc/09/32/82/179093282.db2.gz CBPGADLFQNRCFA-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1ccc(CNCc2cccc(C)c2C)cc1 ZINC000048241981 343015734 /nfs/dbraw/zinc/01/57/34/343015734.db2.gz AUEKECULBGURDO-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1ccccc1CNCc1cccc(C)c1C ZINC000048298375 179283579 /nfs/dbraw/zinc/28/35/79/179283579.db2.gz GSDBJYWNSPWQIJ-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1cccc(CN[C@@H](C)c2cccnc2)c1C ZINC000048298675 179098648 /nfs/dbraw/zinc/09/86/48/179098648.db2.gz LNKWVVVYOHFQES-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc(CN[C@H](C)c2cccnc2)c1C ZINC000048298678 179100356 /nfs/dbraw/zinc/10/03/56/179100356.db2.gz LNKWVVVYOHFQES-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Clc1cccc(CNCc2ccsc2)c1 ZINC000048408853 344587350 /nfs/dbraw/zinc/58/73/50/344587350.db2.gz KVNVCAXBPZVVAF-UHFFFAOYSA-N 0 3 237.755 3.691 20 0 BHADHN C[C@@H](Cc1ccsc1)N[C@@H](C)c1ccco1 ZINC000049154659 323159133 /nfs/dbraw/zinc/15/91/33/323159133.db2.gz GQKWZABMJCXCBL-QWRGUYRKSA-N 0 3 235.352 3.623 20 0 BHADHN C[C@H](Cc1ccsc1)N[C@@H](C)c1ccco1 ZINC000049154661 323159081 /nfs/dbraw/zinc/15/90/81/323159081.db2.gz GQKWZABMJCXCBL-MNOVXSKESA-N 0 3 235.352 3.623 20 0 BHADHN C[C@@H](N[C@@H](C)Cc1ccsc1)c1ccco1 ZINC000049154664 323159015 /nfs/dbraw/zinc/15/90/15/323159015.db2.gz GQKWZABMJCXCBL-WDEREUQCSA-N 0 3 235.352 3.623 20 0 BHADHN C[C@H](Cc1ccsc1)N[C@H](C)c1ccco1 ZINC000049154667 323159037 /nfs/dbraw/zinc/15/90/37/323159037.db2.gz GQKWZABMJCXCBL-GHMZBOCLSA-N 0 3 235.352 3.623 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H](C)Cc2ccsc2)o1 ZINC000049154709 386668645 /nfs/dbraw/zinc/66/86/45/386668645.db2.gz PBOWVTBKHXPQIR-CMPLNLGQSA-N 0 3 249.379 3.931 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H](C)Cc2ccsc2)o1 ZINC000049154712 386668781 /nfs/dbraw/zinc/66/87/81/386668781.db2.gz PBOWVTBKHXPQIR-JQWIXIFHSA-N 0 3 249.379 3.931 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)Cc2ccsc2)o1 ZINC000049154715 386668361 /nfs/dbraw/zinc/66/83/61/386668361.db2.gz PBOWVTBKHXPQIR-ZYHUDNBSSA-N 0 3 249.379 3.931 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)Cc2ccsc2)o1 ZINC000049154718 386668769 /nfs/dbraw/zinc/66/87/69/386668769.db2.gz PBOWVTBKHXPQIR-PWSUYJOCSA-N 0 3 249.379 3.931 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccsc2)s1 ZINC000049157872 384521927 /nfs/dbraw/zinc/52/19/27/384521927.db2.gz ABULEYZAXMNCEN-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccsc2)s1 ZINC000049157876 383877321 /nfs/dbraw/zinc/87/73/21/383877321.db2.gz ABULEYZAXMNCEN-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cccc(O)c2)s1 ZINC000049158612 641710319 /nfs/dbraw/zinc/71/03/19/641710319.db2.gz GLWMJZZNNQZXKC-LLVKDONJSA-N 0 3 247.363 3.613 20 0 BHADHN Cc1ccc([C@H](C)NCc2cccc(O)c2)s1 ZINC000049158617 641711472 /nfs/dbraw/zinc/71/14/72/641711472.db2.gz GLWMJZZNNQZXKC-NSHDSACASA-N 0 3 247.363 3.613 20 0 BHADHN Cc1ccc([C@H](C)Nc2ccncc2)s1 ZINC000049184458 178901467 /nfs/dbraw/zinc/90/14/67/178901467.db2.gz WFLFAKJIRHCEAA-JTQLQIEISA-N 0 3 218.325 3.625 20 0 BHADHN c1ccc2c(c1)nccc2NC(C1CC1)C1CC1 ZINC000049235828 384676885 /nfs/dbraw/zinc/67/68/85/384676885.db2.gz PEYOJHGUFYVMGN-UHFFFAOYSA-N 0 3 238.334 3.835 20 0 BHADHN CC[C@H](NCc1cccn1C)c1ccc(C)cc1 ZINC000049537314 343601425 /nfs/dbraw/zinc/60/14/25/343601425.db2.gz DICISRASNXLZKN-INIZCTEOSA-N 0 3 242.366 3.574 20 0 BHADHN CC[C@@H](NCc1cccn1C)c1ccc(C)cc1 ZINC000049537315 343601151 /nfs/dbraw/zinc/60/11/51/343601151.db2.gz DICISRASNXLZKN-MRXNPFEDSA-N 0 3 242.366 3.574 20 0 BHADHN CCC[C@H](NCc1cccn1C)c1ccccc1 ZINC000049537852 169511883 /nfs/dbraw/zinc/51/18/83/169511883.db2.gz XSYQYFHGKJSNDP-INIZCTEOSA-N 0 3 242.366 3.656 20 0 BHADHN CCC[C@@H](NCc1cccn1C)c1ccccc1 ZINC000049537853 384543435 /nfs/dbraw/zinc/54/34/35/384543435.db2.gz XSYQYFHGKJSNDP-MRXNPFEDSA-N 0 3 242.366 3.656 20 0 BHADHN CCCC1CCC(NCc2cscn2)CC1 ZINC000049543750 711448950 /nfs/dbraw/zinc/44/89/50/711448950.db2.gz ANDZREUXNXTUIS-UHFFFAOYSA-N 0 3 238.400 3.592 20 0 BHADHN CCCCC[C@@H](C)NCc1csc(CC)n1 ZINC000049591162 643097059 /nfs/dbraw/zinc/09/70/59/643097059.db2.gz WHNXVMRBHJJYQR-LLVKDONJSA-N 0 3 240.416 3.764 20 0 BHADHN CCCCC[C@H](C)NCc1csc(CC)n1 ZINC000049591163 643096173 /nfs/dbraw/zinc/09/61/73/643096173.db2.gz WHNXVMRBHJJYQR-NSHDSACASA-N 0 3 240.416 3.764 20 0 BHADHN Cc1cc(CNCc2ccccc2)c(C)s1 ZINC000049684812 323162992 /nfs/dbraw/zinc/16/29/92/323162992.db2.gz JTTRMIXSCXSXSI-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1cc(CNCc2ccc(F)cc2)c(C)s1 ZINC000049684961 178026524 /nfs/dbraw/zinc/02/65/24/178026524.db2.gz ZSLVQZAIMYZSJT-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1cc(CNCc2ccc(C)cc2)c(C)s1 ZINC000049685008 386717693 /nfs/dbraw/zinc/71/76/93/386717693.db2.gz ZNZGMMWSNIOQKS-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1cc(CN[C@@H](C)c2cccnc2)c(C)s1 ZINC000049685140 178031634 /nfs/dbraw/zinc/03/16/34/178031634.db2.gz AWVZFYGHHMYEBU-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc(CN[C@H](C)c2cccnc2)c(C)s1 ZINC000049685142 178038167 /nfs/dbraw/zinc/03/81/67/178038167.db2.gz AWVZFYGHHMYEBU-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc(CNCc2cccc(C)c2)c(C)s1 ZINC000049685189 179093678 /nfs/dbraw/zinc/09/36/78/179093678.db2.gz OKGIMTJRUPZEIY-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1cc(CNCc2cccs2)c(C)s1 ZINC000049685225 178026239 /nfs/dbraw/zinc/02/62/39/178026239.db2.gz AEGMEIRQNUNTRL-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN Cc1cc(CNCc2cccc(F)c2)c(C)s1 ZINC000049685478 178026325 /nfs/dbraw/zinc/02/63/25/178026325.db2.gz HCLVQZJQSJEORL-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1cc(CNCc2ccccc2C)c(C)s1 ZINC000049686722 178026387 /nfs/dbraw/zinc/02/63/87/178026387.db2.gz CIJAQPNBOXIFDL-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN C[C@@H](c1cccs1)N(C)Cc1cccc(N)c1 ZINC000049717064 176033208 /nfs/dbraw/zinc/03/32/08/176033208.db2.gz WGOKMEPLBYTNAO-NSHDSACASA-N 0 3 246.379 3.523 20 0 BHADHN C[C@H](c1cccs1)N(C)Cc1cccc(N)c1 ZINC000049717065 177048465 /nfs/dbraw/zinc/04/84/65/177048465.db2.gz WGOKMEPLBYTNAO-LLVKDONJSA-N 0 3 246.379 3.523 20 0 BHADHN Cc1nc(CNC2CCCCCC2)sc1C ZINC000049829412 387787704 /nfs/dbraw/zinc/78/77/04/387787704.db2.gz HXUMVNZRDQPZNC-UHFFFAOYSA-N 0 3 238.400 3.572 20 0 BHADHN Cc1cc(CNCc2ccc(F)cc2)ccc1F ZINC000049943365 178026918 /nfs/dbraw/zinc/02/69/18/178026918.db2.gz BFBCFBPYIDQZDZ-UHFFFAOYSA-N 0 3 247.288 3.563 20 0 BHADHN Cc1cc(CNCc2cccc(F)c2)ccc1F ZINC000049943377 178027645 /nfs/dbraw/zinc/02/76/45/178027645.db2.gz UXRRLSGJQQLFDK-UHFFFAOYSA-N 0 3 247.288 3.563 20 0 BHADHN Cc1ccccc1CNCc1ccc(F)c(C)c1 ZINC000049943379 178026604 /nfs/dbraw/zinc/02/66/04/178026604.db2.gz BUCVDUSIMRFHFQ-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1ccc(CNCc2ccc(F)c(C)c2)cc1 ZINC000049943380 643561588 /nfs/dbraw/zinc/56/15/88/643561588.db2.gz URSVAHHOBJFMLU-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1cccc(CNCc2ccc(F)c(C)c2)c1 ZINC000049943381 179094698 /nfs/dbraw/zinc/09/46/98/179094698.db2.gz IDOJIVLIASTRGJ-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1ccc(CNCc2ccc(F)c(C)c2)s1 ZINC000049943400 643562356 /nfs/dbraw/zinc/56/23/56/643562356.db2.gz QSUVFXIVOHKSBK-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1ccc(CNCc2cc(C)cc(C)c2)s1 ZINC000049948360 343019301 /nfs/dbraw/zinc/01/93/01/343019301.db2.gz LIDLFRJJFCFGLE-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN c1csc([C@H](NCc2ccccc2)C2CC2)c1 ZINC000049956752 384687315 /nfs/dbraw/zinc/68/73/15/384687315.db2.gz LNTFUABGRQNMLK-OAHLLOKOSA-N 0 3 243.375 3.989 20 0 BHADHN c1csc([C@@H](NCc2ccccc2)C2CC2)c1 ZINC000049956753 384688056 /nfs/dbraw/zinc/68/80/56/384688056.db2.gz LNTFUABGRQNMLK-HNNXBMFYSA-N 0 3 243.375 3.989 20 0 BHADHN COc1ccc(CN(CC=C(C)C)C2CC2)cc1 ZINC000049975109 323165724 /nfs/dbraw/zinc/16/57/24/323165724.db2.gz WVALAZLEPHCDDQ-UHFFFAOYSA-N 0 3 245.366 3.626 20 0 BHADHN Clc1cc(CN2CCCCCCC2)ccn1 ZINC000050165913 643627544 /nfs/dbraw/zinc/62/75/44/643627544.db2.gz DXAHEBZBJCSHSY-UHFFFAOYSA-N 0 3 238.762 3.501 20 0 BHADHN CC[C@H](NCc1ccsc1)c1ccccc1 ZINC000050198393 384606042 /nfs/dbraw/zinc/60/60/42/384606042.db2.gz CXUWOKKACCDVBC-AWEZNQCLSA-N 0 3 231.364 3.989 20 0 BHADHN CC[C@@H](NCc1ccsc1)c1ccccc1 ZINC000050198396 343611086 /nfs/dbraw/zinc/61/10/86/343611086.db2.gz CXUWOKKACCDVBC-CQSZACIVSA-N 0 3 231.364 3.989 20 0 BHADHN CCN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000050210062 384609615 /nfs/dbraw/zinc/60/96/15/384609615.db2.gz VRBLRKYDTLDKRS-ZETCQYMHSA-N 0 3 249.688 3.612 20 0 BHADHN CCN[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000050210063 323167029 /nfs/dbraw/zinc/16/70/29/323167029.db2.gz VRBLRKYDTLDKRS-SSDOTTSWSA-N 0 3 249.688 3.612 20 0 BHADHN CCCN[C@@H](C)c1cc(Cl)ccc1OCC ZINC000050210420 322848458 /nfs/dbraw/zinc/84/84/58/322848458.db2.gz DMIWDHLSSKWCHF-JTQLQIEISA-N 0 3 241.762 3.799 20 0 BHADHN CCCN[C@H](C)c1cc(Cl)ccc1OCC ZINC000050210421 384690170 /nfs/dbraw/zinc/69/01/70/384690170.db2.gz DMIWDHLSSKWCHF-SNVBAGLBSA-N 0 3 241.762 3.799 20 0 BHADHN c1csc(CNCc2cc3ccccc3[nH]2)c1 ZINC000050266767 358722436 /nfs/dbraw/zinc/72/24/36/358722436.db2.gz ALEDMGMKYRUTCP-UHFFFAOYSA-N 0 3 242.347 3.519 20 0 BHADHN CC(C)=CCN(C)[C@@H](C)c1ccccc1 ZINC000050275352 357437032 /nfs/dbraw/zinc/43/70/32/357437032.db2.gz XGVPJRBSDSDNOA-ZDUSSCGKSA-N 0 3 203.329 3.646 20 0 BHADHN CC(C)=CCN(C)[C@H](C)c1ccccc1 ZINC000050275353 357437701 /nfs/dbraw/zinc/43/77/01/357437701.db2.gz XGVPJRBSDSDNOA-CYBMUJFWSA-N 0 3 203.329 3.646 20 0 BHADHN CCc1nc(CNC2(C)CCCCC2)cs1 ZINC000050285670 358722581 /nfs/dbraw/zinc/72/25/81/358722581.db2.gz XYGJRFOKJJTXBM-UHFFFAOYSA-N 0 3 238.400 3.518 20 0 BHADHN C[C@H](NCc1ccccc1)c1ccsc1 ZINC000050337443 387794148 /nfs/dbraw/zinc/79/41/48/387794148.db2.gz DRKUYURGGMGZRX-NSHDSACASA-N 0 3 217.337 3.599 20 0 BHADHN C[C@@H](NCc1ccccc1)c1ccsc1 ZINC000050337446 384004532 /nfs/dbraw/zinc/00/45/32/384004532.db2.gz DRKUYURGGMGZRX-LLVKDONJSA-N 0 3 217.337 3.599 20 0 BHADHN COc1ccc(CN[C@@H](C)c2ccsc2)cc1 ZINC000050337806 384618956 /nfs/dbraw/zinc/61/89/56/384618956.db2.gz NQJSEVYLGNSQGI-NSHDSACASA-N 0 3 247.363 3.608 20 0 BHADHN COc1ccc(CN[C@H](C)c2ccsc2)cc1 ZINC000050337809 175111706 /nfs/dbraw/zinc/11/17/06/175111706.db2.gz NQJSEVYLGNSQGI-LLVKDONJSA-N 0 3 247.363 3.608 20 0 BHADHN C[C@H](NCc1ccc(F)cc1)c1ccsc1 ZINC000050338125 384618193 /nfs/dbraw/zinc/61/81/93/384618193.db2.gz AAURXQYTHHYZCC-JTQLQIEISA-N 0 3 235.327 3.738 20 0 BHADHN C[C@@H](NCc1ccc(F)cc1)c1ccsc1 ZINC000050338128 387794278 /nfs/dbraw/zinc/79/42/78/387794278.db2.gz AAURXQYTHHYZCC-SNVBAGLBSA-N 0 3 235.327 3.738 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2ccsc2)cc1 ZINC000050338283 384617373 /nfs/dbraw/zinc/61/73/73/384617373.db2.gz DQQNBCCZEIPCHI-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccc(CN[C@H](C)c2ccsc2)cc1 ZINC000050338286 384617171 /nfs/dbraw/zinc/61/71/71/384617171.db2.gz DQQNBCCZEIPCHI-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN C[C@H](N[C@@H](C)c1ccncc1)c1ccsc1 ZINC000050338567 487939869 /nfs/dbraw/zinc/93/98/69/487939869.db2.gz CCZUBCZOXQFNFE-QWRGUYRKSA-N 0 3 232.352 3.555 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccsc1)c1ccncc1 ZINC000050338570 487940146 /nfs/dbraw/zinc/94/01/46/487940146.db2.gz CCZUBCZOXQFNFE-MNOVXSKESA-N 0 3 232.352 3.555 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccncc1)c1ccsc1 ZINC000050338573 487940116 /nfs/dbraw/zinc/94/01/16/487940116.db2.gz CCZUBCZOXQFNFE-WDEREUQCSA-N 0 3 232.352 3.555 20 0 BHADHN C[C@@H](N[C@H](C)c1ccncc1)c1ccsc1 ZINC000050338576 487939920 /nfs/dbraw/zinc/93/99/20/487939920.db2.gz CCZUBCZOXQFNFE-GHMZBOCLSA-N 0 3 232.352 3.555 20 0 BHADHN Cc1cccc(CN[C@@H](C)c2ccsc2)c1 ZINC000050338968 179098313 /nfs/dbraw/zinc/09/83/13/179098313.db2.gz WBWBKGGMHDZXRC-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1cccc(CN[C@H](C)c2ccsc2)c1 ZINC000050338971 179100648 /nfs/dbraw/zinc/10/06/48/179100648.db2.gz WBWBKGGMHDZXRC-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN C[C@H](NCc1cccs1)c1ccsc1 ZINC000050339066 384194190 /nfs/dbraw/zinc/19/41/90/384194190.db2.gz OCLPIVVUVDZJAH-VIFPVBQESA-N 0 3 223.366 3.660 20 0 BHADHN C[C@@H](NCc1cccs1)c1ccsc1 ZINC000050339068 384193147 /nfs/dbraw/zinc/19/31/47/384193147.db2.gz OCLPIVVUVDZJAH-SECBINFHSA-N 0 3 223.366 3.660 20 0 BHADHN C[C@H](NCc1cccc(F)c1)c1ccsc1 ZINC000050339838 358724587 /nfs/dbraw/zinc/72/45/87/358724587.db2.gz RFAIYTHNSCZINF-JTQLQIEISA-N 0 3 235.327 3.738 20 0 BHADHN C[C@@H](NCc1cccc(F)c1)c1ccsc1 ZINC000050339840 358724635 /nfs/dbraw/zinc/72/46/35/358724635.db2.gz RFAIYTHNSCZINF-SNVBAGLBSA-N 0 3 235.327 3.738 20 0 BHADHN COc1cccc(CN[C@@H](C)c2ccsc2)c1 ZINC000050343592 175266983 /nfs/dbraw/zinc/26/69/83/175266983.db2.gz HNGPHRLQCVOUHT-NSHDSACASA-N 0 3 247.363 3.608 20 0 BHADHN COc1cccc(CN[C@H](C)c2ccsc2)c1 ZINC000050343594 175267495 /nfs/dbraw/zinc/26/74/95/175267495.db2.gz HNGPHRLQCVOUHT-LLVKDONJSA-N 0 3 247.363 3.608 20 0 BHADHN Cc1ccccc1CN[C@@H](C)c1ccsc1 ZINC000050343609 179282356 /nfs/dbraw/zinc/28/23/56/179282356.db2.gz DVGAMMWSTDDQPM-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccccc1CN[C@H](C)c1ccsc1 ZINC000050343612 179284922 /nfs/dbraw/zinc/28/49/22/179284922.db2.gz DVGAMMWSTDDQPM-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H]1c1ccccc1)c1ccsc1 ZINC000050344887 176906292 /nfs/dbraw/zinc/90/62/92/176906292.db2.gz VENPIJCZIYKLJF-NILFDRSVSA-N 0 3 243.375 3.955 20 0 BHADHN C[C@@H](N[C@@H]1C[C@@H]1c1ccccc1)c1ccsc1 ZINC000050344889 175918702 /nfs/dbraw/zinc/91/87/02/175918702.db2.gz VENPIJCZIYKLJF-KCPJHIHWSA-N 0 3 243.375 3.955 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2ccsc2)s1 ZINC000050345071 344783441 /nfs/dbraw/zinc/78/34/41/344783441.db2.gz VCAPSXOPTFVDGU-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN Cc1ccc(CN[C@H](C)c2ccsc2)s1 ZINC000050345074 134658304 /nfs/dbraw/zinc/65/83/04/134658304.db2.gz VCAPSXOPTFVDGU-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN CCC[C@@H](CC)NCc1ccc(F)cc1F ZINC000050399878 343152567 /nfs/dbraw/zinc/15/25/67/343152567.db2.gz XQXBWMKRVFMREP-GFCCVEGCSA-N 0 3 227.298 3.633 20 0 BHADHN CCC[C@H](CC)NCc1ccc(F)cc1F ZINC000050399880 343152527 /nfs/dbraw/zinc/15/25/27/343152527.db2.gz XQXBWMKRVFMREP-LBPRGKRZSA-N 0 3 227.298 3.633 20 0 BHADHN CCC[C@@H](CC)N[C@@H](C)c1nc(C)sc1C ZINC000050401067 487974983 /nfs/dbraw/zinc/97/49/83/487974983.db2.gz FTFJYCPGFMFYHU-JOYOIKCWSA-N 0 3 240.416 3.989 20 0 BHADHN CCC[C@H](CC)N[C@@H](C)c1nc(C)sc1C ZINC000050401070 487974720 /nfs/dbraw/zinc/97/47/20/487974720.db2.gz FTFJYCPGFMFYHU-CABZTGNLSA-N 0 3 240.416 3.989 20 0 BHADHN CCC[C@@H](CC)N[C@H](C)c1nc(C)sc1C ZINC000050401072 487974809 /nfs/dbraw/zinc/97/48/09/487974809.db2.gz FTFJYCPGFMFYHU-BXKDBHETSA-N 0 3 240.416 3.989 20 0 BHADHN CCC[C@H](CC)N[C@H](C)c1nc(C)sc1C ZINC000050401074 487975053 /nfs/dbraw/zinc/97/50/53/487975053.db2.gz FTFJYCPGFMFYHU-SKDRFNHKSA-N 0 3 240.416 3.989 20 0 BHADHN CCC[C@@H](CC)NCc1cc(F)ccc1F ZINC000050401376 384696935 /nfs/dbraw/zinc/69/69/35/384696935.db2.gz RAAWLAJAEXSRPM-GFCCVEGCSA-N 0 3 227.298 3.633 20 0 BHADHN CCC[C@H](CC)NCc1cc(F)ccc1F ZINC000050401378 322849926 /nfs/dbraw/zinc/84/99/26/322849926.db2.gz RAAWLAJAEXSRPM-LBPRGKRZSA-N 0 3 227.298 3.633 20 0 BHADHN CCC[C@@H](CC)NCc1ccc(Cl)o1 ZINC000050401436 384696520 /nfs/dbraw/zinc/69/65/20/384696520.db2.gz NKSLSZDMVCTHNX-SECBINFHSA-N 0 3 215.724 3.601 20 0 BHADHN CCC[C@H](CC)NCc1ccc(Cl)o1 ZINC000050401438 384697514 /nfs/dbraw/zinc/69/75/14/384697514.db2.gz NKSLSZDMVCTHNX-VIFPVBQESA-N 0 3 215.724 3.601 20 0 BHADHN CCC[C@@H](CC)N[C@@H](C)c1csc(C)n1 ZINC000050401742 169379132 /nfs/dbraw/zinc/37/91/32/169379132.db2.gz SWTUNHIKMCPHFS-GXSJLCMTSA-N 0 3 226.389 3.681 20 0 BHADHN CCC[C@H](CC)N[C@@H](C)c1csc(C)n1 ZINC000050401745 384207140 /nfs/dbraw/zinc/20/71/40/384207140.db2.gz SWTUNHIKMCPHFS-ONGXEEELSA-N 0 3 226.389 3.681 20 0 BHADHN CCC[C@@H](CC)N[C@H](C)c1csc(C)n1 ZINC000050401747 169380165 /nfs/dbraw/zinc/38/01/65/169380165.db2.gz SWTUNHIKMCPHFS-MWLCHTKSSA-N 0 3 226.389 3.681 20 0 BHADHN CCC[C@H](CC)N[C@H](C)c1csc(C)n1 ZINC000050401748 384205643 /nfs/dbraw/zinc/20/56/43/384205643.db2.gz SWTUNHIKMCPHFS-KOLCDFICSA-N 0 3 226.389 3.681 20 0 BHADHN CCC[C@@H](CC)NCc1cccc(F)c1F ZINC000050404208 343153061 /nfs/dbraw/zinc/15/30/61/343153061.db2.gz QQMJFSIVJZZXAB-LLVKDONJSA-N 0 3 227.298 3.633 20 0 BHADHN CCC[C@H](CC)NCc1cccc(F)c1F ZINC000050404210 343152933 /nfs/dbraw/zinc/15/29/33/343152933.db2.gz QQMJFSIVJZZXAB-NSHDSACASA-N 0 3 227.298 3.633 20 0 BHADHN Cc1cc(F)ccc1CN[C@@H](C)c1ccccc1 ZINC000050569000 178086779 /nfs/dbraw/zinc/08/67/79/178086779.db2.gz YTMMQIMUWUENRT-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1cc(F)ccc1CN[C@H](C)c1ccccc1 ZINC000050569001 178087323 /nfs/dbraw/zinc/08/73/23/178087323.db2.gz YTMMQIMUWUENRT-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1cc(F)ccc1CNCc1ccc(F)cc1 ZINC000050569092 178086828 /nfs/dbraw/zinc/08/68/28/178086828.db2.gz LXZPFUJKAPBEAS-UHFFFAOYSA-N 0 3 247.288 3.563 20 0 BHADHN Cc1ccc(CNCc2ccc(F)cc2C)cc1 ZINC000050569117 641181466 /nfs/dbraw/zinc/18/14/66/641181466.db2.gz FSGNCAHTSGAELU-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1cccc(CNCc2ccc(F)cc2C)c1 ZINC000050569199 179093487 /nfs/dbraw/zinc/09/34/87/179093487.db2.gz PJWNESAFTOGHSA-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1cc(F)ccc1CNCc1cccc(F)c1 ZINC000050569274 178086967 /nfs/dbraw/zinc/08/69/67/178086967.db2.gz IFMIKECILHKFPE-UHFFFAOYSA-N 0 3 247.288 3.563 20 0 BHADHN Cc1ccccc1CNCc1ccc(F)cc1C ZINC000050576594 179283502 /nfs/dbraw/zinc/28/35/02/179283502.db2.gz WSIVCJLBRJZFMP-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1ccc(CNCc2ccc(F)cc2C)s1 ZINC000050577831 384635780 /nfs/dbraw/zinc/63/57/80/384635780.db2.gz CKLGWHKROXASGA-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1cc([C@@H](C)NCc2cccn2C)c(C)s1 ZINC000050595680 178229026 /nfs/dbraw/zinc/22/90/26/178229026.db2.gz RISSJNYIBPBOAP-LLVKDONJSA-N 0 3 248.395 3.554 20 0 BHADHN Cc1cc([C@H](C)NCc2cccn2C)c(C)s1 ZINC000050595681 178252459 /nfs/dbraw/zinc/25/24/59/178252459.db2.gz RISSJNYIBPBOAP-NSHDSACASA-N 0 3 248.395 3.554 20 0 BHADHN CCCC[C@@H](C)NCc1ccc(F)cc1F ZINC000050886775 384519680 /nfs/dbraw/zinc/51/96/80/384519680.db2.gz QMLKVIYFOVGOTJ-SNVBAGLBSA-N 0 3 227.298 3.633 20 0 BHADHN CCCC[C@H](C)NCc1ccc(F)cc1F ZINC000050886776 384520702 /nfs/dbraw/zinc/52/07/02/384520702.db2.gz QMLKVIYFOVGOTJ-JTQLQIEISA-N 0 3 227.298 3.633 20 0 BHADHN CCCC[C@@H](C)NCc1cc(F)ccc1F ZINC000050887299 384705132 /nfs/dbraw/zinc/70/51/32/384705132.db2.gz DZEFAYZLFXTPCA-SNVBAGLBSA-N 0 3 227.298 3.633 20 0 BHADHN CCCC[C@H](C)NCc1cc(F)ccc1F ZINC000050887300 322851681 /nfs/dbraw/zinc/85/16/81/322851681.db2.gz DZEFAYZLFXTPCA-JTQLQIEISA-N 0 3 227.298 3.633 20 0 BHADHN CCCC[C@@H](C)NCc1ccc(Cl)o1 ZINC000050887329 488076982 /nfs/dbraw/zinc/07/69/82/488076982.db2.gz QUUQAOYPWAAJOV-SECBINFHSA-N 0 3 215.724 3.601 20 0 BHADHN CCCC[C@H](C)NCc1ccc(Cl)o1 ZINC000050887330 488196147 /nfs/dbraw/zinc/19/61/47/488196147.db2.gz QUUQAOYPWAAJOV-VIFPVBQESA-N 0 3 215.724 3.601 20 0 BHADHN C[C@@H](c1ccccc1F)N1CCC[C@@H](C)C1 ZINC000051149625 346956963 /nfs/dbraw/zinc/95/69/63/346956963.db2.gz KEVZAHDNFNWHJO-NEPJUHHUSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@@H](c1ccccc1F)N1CCC[C@H](C)C1 ZINC000051149627 346956890 /nfs/dbraw/zinc/95/68/90/346956890.db2.gz KEVZAHDNFNWHJO-RYUDHWBXSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@@H](c1ccccc1F)N1CCC(C)CC1 ZINC000051208831 346987838 /nfs/dbraw/zinc/98/78/38/346987838.db2.gz LCTYEMJUFCUWOK-LBPRGKRZSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@H](c1ccccc1F)N1CCC(C)CC1 ZINC000051208833 346987784 /nfs/dbraw/zinc/98/77/84/346987784.db2.gz LCTYEMJUFCUWOK-GFCCVEGCSA-N 0 3 221.319 3.619 20 0 BHADHN CC[C@H](NCc1cccc(C)n1)c1ccccc1 ZINC000051574189 387800381 /nfs/dbraw/zinc/80/03/81/387800381.db2.gz DFKDOFLTCMABJH-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1cccc(C)n1)c1ccccc1 ZINC000051574191 358755519 /nfs/dbraw/zinc/75/55/19/358755519.db2.gz DFKDOFLTCMABJH-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN Cc1cccc(CNc2ccnc3ccccc32)n1 ZINC000051576914 322851064 /nfs/dbraw/zinc/85/10/64/322851064.db2.gz KUCFDNQCVMDDEQ-UHFFFAOYSA-N 0 3 249.317 3.550 20 0 BHADHN CC[C@H](NCc1ccc(O)cc1)c1ccccc1 ZINC000051626159 487954826 /nfs/dbraw/zinc/95/48/26/487954826.db2.gz WDCOEBJWHRYDNG-INIZCTEOSA-N 0 3 241.334 3.633 20 0 BHADHN CC[C@@H](NCc1ccc(O)cc1)c1ccccc1 ZINC000051626160 487954904 /nfs/dbraw/zinc/95/49/04/487954904.db2.gz WDCOEBJWHRYDNG-MRXNPFEDSA-N 0 3 241.334 3.633 20 0 BHADHN CC[C@H](NCc1cccc(O)c1)c1ccccc1 ZINC000051626454 384674841 /nfs/dbraw/zinc/67/48/41/384674841.db2.gz CESMMOZWWAIPSG-INIZCTEOSA-N 0 3 241.334 3.633 20 0 BHADHN CC[C@@H](NCc1cccc(O)c1)c1ccccc1 ZINC000051626456 343627506 /nfs/dbraw/zinc/62/75/06/343627506.db2.gz CESMMOZWWAIPSG-MRXNPFEDSA-N 0 3 241.334 3.633 20 0 BHADHN Cc1ccc([C@H](C)NCCc2cccc(C)c2)o1 ZINC000051668563 384704022 /nfs/dbraw/zinc/70/40/22/384704022.db2.gz XUMKVZXXBGWEAV-AWEZNQCLSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1ccc([C@@H](C)NCCc2cccc(C)c2)o1 ZINC000051668564 384703732 /nfs/dbraw/zinc/70/37/32/384703732.db2.gz XUMKVZXXBGWEAV-CQSZACIVSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1cccc(CCNCc2ccc(Cl)o2)c1 ZINC000051669143 323190539 /nfs/dbraw/zinc/19/05/39/323190539.db2.gz DYOPFCCYWSLMIL-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN CCC[C@@H](C)N(C)Cc1cc(F)ccc1F ZINC000051686171 355720494 /nfs/dbraw/zinc/72/04/94/355720494.db2.gz PHFDAPBZZDUVTG-SNVBAGLBSA-N 0 3 227.298 3.585 20 0 BHADHN CCC[C@H](C)N(C)Cc1cc(F)ccc1F ZINC000051686173 350760978 /nfs/dbraw/zinc/76/09/78/350760978.db2.gz PHFDAPBZZDUVTG-JTQLQIEISA-N 0 3 227.298 3.585 20 0 BHADHN CCc1ccc(CNC2CCC(C)CC2)o1 ZINC000051721392 358760378 /nfs/dbraw/zinc/76/03/78/358760378.db2.gz DZCRXXMNWWACDG-UHFFFAOYSA-N 0 3 221.344 3.510 20 0 BHADHN CCc1ccc(CNCCC2=CCCCC2)o1 ZINC000051721544 384703906 /nfs/dbraw/zinc/70/39/06/384703906.db2.gz WBLCUNSGXPYMDP-UHFFFAOYSA-N 0 3 233.355 3.822 20 0 BHADHN CCc1ccc(CNCCCc2ccccc2)o1 ZINC000051721606 384703959 /nfs/dbraw/zinc/70/39/59/384703959.db2.gz STWUBAZIHJOPGY-UHFFFAOYSA-N 0 3 243.350 3.564 20 0 BHADHN CCc1ccc(CNC[C@@H](C)c2ccccc2)o1 ZINC000051721748 322851451 /nfs/dbraw/zinc/85/14/51/322851451.db2.gz IVOVTCWEUKDVFH-CYBMUJFWSA-N 0 3 243.350 3.735 20 0 BHADHN CCc1ccc(CNC[C@H](C)c2ccccc2)o1 ZINC000051721751 384702881 /nfs/dbraw/zinc/70/28/81/384702881.db2.gz IVOVTCWEUKDVFH-ZDUSSCGKSA-N 0 3 243.350 3.735 20 0 BHADHN CCc1ccc(CN[C@@H](C)CCc2ccco2)o1 ZINC000051721791 134685552 /nfs/dbraw/zinc/68/55/52/134685552.db2.gz ZDHNTOAXJFZTPW-LBPRGKRZSA-N 0 3 247.338 3.546 20 0 BHADHN CCc1ccc(CN[C@H](C)CCc2ccco2)o1 ZINC000051721794 358760308 /nfs/dbraw/zinc/76/03/08/358760308.db2.gz ZDHNTOAXJFZTPW-GFCCVEGCSA-N 0 3 247.338 3.546 20 0 BHADHN CCc1ccc(CN[C@@H]2CCC[C@H](C)C2)o1 ZINC000051722203 358760511 /nfs/dbraw/zinc/76/05/11/358760511.db2.gz UDLMGZNLNLPMBY-NWDGAFQWSA-N 0 3 221.344 3.510 20 0 BHADHN CCc1ccc(CN[C@H]2CCC[C@H](C)C2)o1 ZINC000051722204 358760667 /nfs/dbraw/zinc/76/06/67/358760667.db2.gz UDLMGZNLNLPMBY-RYUDHWBXSA-N 0 3 221.344 3.510 20 0 BHADHN CCc1ccc(CN[C@@H]2CCC[C@@H](C)C2)o1 ZINC000051722207 358760257 /nfs/dbraw/zinc/76/02/57/358760257.db2.gz UDLMGZNLNLPMBY-VXGBXAGGSA-N 0 3 221.344 3.510 20 0 BHADHN CCc1ccc(CN[C@H]2CCC[C@@H](C)C2)o1 ZINC000051722210 358760653 /nfs/dbraw/zinc/76/06/53/358760653.db2.gz UDLMGZNLNLPMBY-NEPJUHHUSA-N 0 3 221.344 3.510 20 0 BHADHN CCc1ccc(CNCC2CCCCC2)o1 ZINC000051722217 384703606 /nfs/dbraw/zinc/70/36/06/384703606.db2.gz RSQAUHIDBLIRTQ-UHFFFAOYSA-N 0 3 221.344 3.512 20 0 BHADHN CCc1ccc(CN[C@@H](C)Cc2cccs2)o1 ZINC000051723050 322851713 /nfs/dbraw/zinc/85/17/13/322851713.db2.gz RCGBHLVGCFKWOB-NSHDSACASA-N 0 3 249.379 3.624 20 0 BHADHN CCc1ccc(CN[C@H](C)Cc2cccs2)o1 ZINC000051723052 322851726 /nfs/dbraw/zinc/85/17/26/322851726.db2.gz RCGBHLVGCFKWOB-LLVKDONJSA-N 0 3 249.379 3.624 20 0 BHADHN CCc1ccc(CNCCC2CCCC2)o1 ZINC000051724267 384702046 /nfs/dbraw/zinc/70/20/46/384702046.db2.gz RAACXZGYCGZYOO-UHFFFAOYSA-N 0 3 221.344 3.512 20 0 BHADHN CCc1ccc(CN[C@@H](C)Cc2ccsc2)o1 ZINC000051724829 323190904 /nfs/dbraw/zinc/19/09/04/323190904.db2.gz QVLPDKUMUFILKS-NSHDSACASA-N 0 3 249.379 3.624 20 0 BHADHN CCc1ccc(CN[C@H](C)Cc2ccsc2)o1 ZINC000051724831 323190832 /nfs/dbraw/zinc/19/08/32/323190832.db2.gz QVLPDKUMUFILKS-LLVKDONJSA-N 0 3 249.379 3.624 20 0 BHADHN Fc1ccccc1CNC/C=C/c1ccccc1 ZINC000051789868 181011410 /nfs/dbraw/zinc/01/14/10/181011410.db2.gz JIMQTYYACYVLOK-RMKNXTFCSA-N 0 3 241.309 3.629 20 0 BHADHN Fc1cccc(CNC/C=C/c2ccccc2)c1 ZINC000051789904 384699322 /nfs/dbraw/zinc/69/93/22/384699322.db2.gz DOTWYFKZIQKJHC-WEVVVXLNSA-N 0 3 241.309 3.629 20 0 BHADHN C(=C/c1ccccc1)\CN[C@@H]1CCc2ccccc21 ZINC000051790007 187298884 /nfs/dbraw/zinc/29/88/84/187298884.db2.gz CLNUIOGMOUJAMN-AHKGRUIUSA-N 0 3 249.357 3.977 20 0 BHADHN C(=C/c1ccccc1)\CN[C@H]1CCc2ccccc21 ZINC000051790009 322850999 /nfs/dbraw/zinc/85/09/99/322850999.db2.gz CLNUIOGMOUJAMN-YOCVDRLZSA-N 0 3 249.357 3.977 20 0 BHADHN Cc1ccccc1CNC/C=C/c1ccccc1 ZINC000051790034 179280603 /nfs/dbraw/zinc/28/06/03/179280603.db2.gz ZSHQVARYDBNGMS-YRNVUSSQSA-N 0 3 237.346 3.798 20 0 BHADHN Cc1ccc([C@@H](C)NC/C=C/c2ccccc2)o1 ZINC000051790126 322853276 /nfs/dbraw/zinc/85/32/76/322853276.db2.gz RQGASSJLRGPZEH-VIIAAUOXSA-N 0 3 241.334 3.952 20 0 BHADHN Cc1ccc([C@H](C)NC/C=C/c2ccccc2)o1 ZINC000051790128 384713917 /nfs/dbraw/zinc/71/39/17/384713917.db2.gz RQGASSJLRGPZEH-MRZGDXHCSA-N 0 3 241.334 3.952 20 0 BHADHN Cc1ccc(CNC/C=C/c2ccccc2)s1 ZINC000051790437 322853413 /nfs/dbraw/zinc/85/34/13/322853413.db2.gz QRCXVDXAIKWOJZ-VMPITWQZSA-N 0 3 243.375 3.860 20 0 BHADHN CCC(CC)CN(CC)Cc1c(C)noc1C ZINC000051824696 358764151 /nfs/dbraw/zinc/76/41/51/358764151.db2.gz ACNVZZPXOLYSKV-UHFFFAOYSA-N 0 3 238.375 3.550 20 0 BHADHN c1ccc(CNCc2ccnc3ccccc23)cc1 ZINC000051848403 343266072 /nfs/dbraw/zinc/26/60/72/343266072.db2.gz GKBHADMABGMMAJ-UHFFFAOYSA-N 0 3 248.329 3.525 20 0 BHADHN CCN(CC)Cc1c(Cl)ccc2cccnc21 ZINC000051880227 358765841 /nfs/dbraw/zinc/76/58/41/358765841.db2.gz KPGWAKQBELPOGH-UHFFFAOYSA-N 0 3 248.757 3.730 20 0 BHADHN CCN(Cc1nc2ccccc2o1)C1CCCC1 ZINC000051907427 343279012 /nfs/dbraw/zinc/27/90/12/343279012.db2.gz RWQCTQWSFRDYJD-UHFFFAOYSA-N 0 3 244.338 3.592 20 0 BHADHN CN(C/C=C/Cl)CCCCc1ccccc1 ZINC000052037579 632051204 /nfs/dbraw/zinc/05/12/04/632051204.db2.gz JVSYWXOTQRDYAL-YRNVUSSQSA-N 0 3 237.774 3.694 20 0 BHADHN CC(C)CN(C)[C@@H](C)c1cc(F)ccc1F ZINC000052075295 350904760 /nfs/dbraw/zinc/90/47/60/350904760.db2.gz GYGFOBTYYKGQLZ-JTQLQIEISA-N 0 3 227.298 3.614 20 0 BHADHN CC(C)CN(C)[C@H](C)c1cc(F)ccc1F ZINC000052075296 350904481 /nfs/dbraw/zinc/90/44/81/350904481.db2.gz GYGFOBTYYKGQLZ-SNVBAGLBSA-N 0 3 227.298 3.614 20 0 BHADHN CCCN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077910 350908162 /nfs/dbraw/zinc/90/81/62/350908162.db2.gz FWVKIBXQPWGOKN-CYBMUJFWSA-N 0 3 223.747 3.887 20 0 BHADHN CCCN1CCC[C@H]1c1cccc(Cl)c1 ZINC000052077911 350908268 /nfs/dbraw/zinc/90/82/68/350908268.db2.gz FWVKIBXQPWGOKN-ZDUSSCGKSA-N 0 3 223.747 3.887 20 0 BHADHN Cc1cc(CN(C2CC2)C2CCC(C)CC2)on1 ZINC000052104092 358773450 /nfs/dbraw/zinc/77/34/50/358773450.db2.gz HHCIKDTZFNWMIK-UHFFFAOYSA-N 0 3 248.370 3.526 20 0 BHADHN c1sc([C@@H]2CCCCN2)nc1-c1ccccc1 ZINC000052125998 183382113 /nfs/dbraw/zinc/38/21/13/183382113.db2.gz BHNZUXBVFLHHFU-LBPRGKRZSA-N 0 3 244.363 3.625 20 0 BHADHN c1sc([C@H]2CCCCN2)nc1-c1ccccc1 ZINC000052125999 183381816 /nfs/dbraw/zinc/38/18/16/183381816.db2.gz BHNZUXBVFLHHFU-GFCCVEGCSA-N 0 3 244.363 3.625 20 0 BHADHN CCCN(C)[C@@H](C)c1ccccc1Cl ZINC000052163223 350957815 /nfs/dbraw/zinc/95/78/15/350957815.db2.gz CPHMLVDZPAGKAA-JTQLQIEISA-N 0 3 211.736 3.743 20 0 BHADHN CCCN(C)[C@H](C)c1ccccc1Cl ZINC000052163224 350958442 /nfs/dbraw/zinc/95/84/42/350958442.db2.gz CPHMLVDZPAGKAA-SNVBAGLBSA-N 0 3 211.736 3.743 20 0 BHADHN CCc1ccccc1CNCc1ccccc1 ZINC000052200041 385705010 /nfs/dbraw/zinc/70/50/10/385705010.db2.gz CXKUDLATMSHOIA-UHFFFAOYSA-N 0 3 225.335 3.539 20 0 BHADHN CCc1ccccc1CNCc1ccc(F)cc1 ZINC000052200207 632099481 /nfs/dbraw/zinc/09/94/81/632099481.db2.gz JIZFEKIHYIRVCW-UHFFFAOYSA-N 0 3 243.325 3.678 20 0 BHADHN CCc1ccccc1CNCc1ccc(C)cc1 ZINC000052200248 171882191 /nfs/dbraw/zinc/88/21/91/171882191.db2.gz VSTCMVXRHDJLFJ-UHFFFAOYSA-N 0 3 239.362 3.847 20 0 BHADHN CCc1ccccc1CNCc1cccc(C)c1 ZINC000052200451 384709906 /nfs/dbraw/zinc/70/99/06/384709906.db2.gz VYIFJBOQKFTEFU-UHFFFAOYSA-N 0 3 239.362 3.847 20 0 BHADHN CCc1ccccc1CNCc1cccs1 ZINC000052200472 384723812 /nfs/dbraw/zinc/72/38/12/384723812.db2.gz PXBDNSBIHPCUBF-UHFFFAOYSA-N 0 3 231.364 3.600 20 0 BHADHN CCc1ccccc1CNCc1cccc(F)c1 ZINC000052200692 171882836 /nfs/dbraw/zinc/88/28/36/171882836.db2.gz GCLPKBPGGXHQIB-UHFFFAOYSA-N 0 3 243.325 3.678 20 0 BHADHN CCc1ccccc1CNCc1ccccc1C ZINC000052202804 384710607 /nfs/dbraw/zinc/71/06/07/384710607.db2.gz ILEAZCVYDULGNT-UHFFFAOYSA-N 0 3 239.362 3.847 20 0 BHADHN Clc1cccc(CNC2CCC2)c1Cl ZINC000052206656 134385177 /nfs/dbraw/zinc/38/51/77/134385177.db2.gz CLXCGJNSUANFJL-UHFFFAOYSA-N 0 3 230.138 3.636 20 0 BHADHN c1ccc2c(c1)-c1ccccc1C2NC1CCC1 ZINC000052207197 183440924 /nfs/dbraw/zinc/44/09/24/183440924.db2.gz XXRNAUUUDMFEFG-UHFFFAOYSA-N 0 3 235.330 3.899 20 0 BHADHN Clc1cccc(Cl)c1CNC1CCC1 ZINC000052207369 358776020 /nfs/dbraw/zinc/77/60/20/358776020.db2.gz WGOHYKNGFAWOEI-UHFFFAOYSA-N 0 3 230.138 3.636 20 0 BHADHN Fc1ccc(-c2ccc(CNC3CCC3)o2)cc1 ZINC000052207628 358776525 /nfs/dbraw/zinc/77/65/25/358776525.db2.gz LQRSWLPGIHCWLO-UHFFFAOYSA-N 0 3 245.297 3.728 20 0 BHADHN C[C@H](NC1CCC1)c1ccc(F)cc1Cl ZINC000052208347 346290490 /nfs/dbraw/zinc/29/04/90/346290490.db2.gz BYXNJETZIUSOOD-QMMMGPOBSA-N 0 3 227.710 3.682 20 0 BHADHN C[C@@H](NC1CCC1)c1ccc(F)cc1Cl ZINC000052208350 346290446 /nfs/dbraw/zinc/29/04/46/346290446.db2.gz BYXNJETZIUSOOD-MRVPVSSYSA-N 0 3 227.710 3.682 20 0 BHADHN Fc1cccc2c1SCC[C@@H]2NC1CCC1 ZINC000052208358 487572580 /nfs/dbraw/zinc/57/25/80/487572580.db2.gz QNWLAGXOFPPEEE-LBPRGKRZSA-N 0 3 237.343 3.505 20 0 BHADHN Fc1cccc2c1SCC[C@H]2NC1CCC1 ZINC000052208361 487572452 /nfs/dbraw/zinc/57/24/52/487572452.db2.gz QNWLAGXOFPPEEE-GFCCVEGCSA-N 0 3 237.343 3.505 20 0 BHADHN CCCN1CCC[C@@H]1c1ccccc1Cl ZINC000052211462 350967681 /nfs/dbraw/zinc/96/76/81/350967681.db2.gz FSUXIXOQTSJKQS-CYBMUJFWSA-N 0 3 223.747 3.887 20 0 BHADHN CCCN1CCC[C@H]1c1ccccc1Cl ZINC000052211465 350967596 /nfs/dbraw/zinc/96/75/96/350967596.db2.gz FSUXIXOQTSJKQS-ZDUSSCGKSA-N 0 3 223.747 3.887 20 0 BHADHN Cc1cc(CN(CC2CCCCC2)C2CC2)on1 ZINC000052245054 350940482 /nfs/dbraw/zinc/94/04/82/350940482.db2.gz MHYWPDZDEZYMSJ-UHFFFAOYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1ccc(CNCC[C@@H](C)c2ccccc2)o1 ZINC000052329906 384713590 /nfs/dbraw/zinc/71/35/90/384713590.db2.gz ZYSBUZMLIVKGGO-CYBMUJFWSA-N 0 3 243.350 3.871 20 0 BHADHN Cc1ccc(CNCC[C@H](C)c2ccccc2)o1 ZINC000052329908 384712351 /nfs/dbraw/zinc/71/23/51/384712351.db2.gz ZYSBUZMLIVKGGO-ZDUSSCGKSA-N 0 3 243.350 3.871 20 0 BHADHN C[C@H](NCc1ccc(Cl)o1)C1CCCCC1 ZINC000052333143 322852167 /nfs/dbraw/zinc/85/21/67/322852167.db2.gz GSKDCDVXFOPQAV-JTQLQIEISA-N 0 3 241.762 3.991 20 0 BHADHN C[C@@H](NCc1ccc(Cl)o1)C1CCCCC1 ZINC000052333145 322852173 /nfs/dbraw/zinc/85/21/73/322852173.db2.gz GSKDCDVXFOPQAV-SNVBAGLBSA-N 0 3 241.762 3.991 20 0 BHADHN CC[C@H](NCc1cscn1)C1CCCCC1 ZINC000052336112 384719892 /nfs/dbraw/zinc/71/98/92/384719892.db2.gz OTHGOHMXUQQNEI-ZDUSSCGKSA-N 0 3 238.400 3.592 20 0 BHADHN CC[C@@H](NCc1cscn1)C1CCCCC1 ZINC000052336115 343032774 /nfs/dbraw/zinc/03/27/74/343032774.db2.gz OTHGOHMXUQQNEI-CYBMUJFWSA-N 0 3 238.400 3.592 20 0 BHADHN Cc1cc(CN[C@@H](C)c2ccccc2)ccc1F ZINC000052684771 178031767 /nfs/dbraw/zinc/03/17/67/178031767.db2.gz BHJCCJYFIZGFRV-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1cc(CN[C@H](C)c2ccccc2)ccc1F ZINC000052684772 178038536 /nfs/dbraw/zinc/03/85/36/178038536.db2.gz BHJCCJYFIZGFRV-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Clc1ncccc1CN1CCCCCCC1 ZINC000052709114 711633272 /nfs/dbraw/zinc/63/32/72/711633272.db2.gz FZAAYWUCYSBRJK-UHFFFAOYSA-N 0 3 238.762 3.501 20 0 BHADHN CC(C)CN(Cc1cccnc1Cl)C(C)C ZINC000052716741 632882252 /nfs/dbraw/zinc/88/22/52/632882252.db2.gz OTKAJEGXHKSDEF-UHFFFAOYSA-N 0 3 240.778 3.601 20 0 BHADHN C[C@@H](c1ccc(F)cc1)N1CCC(C)CC1 ZINC000052804607 487935701 /nfs/dbraw/zinc/93/57/01/487935701.db2.gz MPNIVTHBEMLUKK-LBPRGKRZSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@H](c1ccc(F)cc1)N1CCC(C)CC1 ZINC000052804609 487935774 /nfs/dbraw/zinc/93/57/74/487935774.db2.gz MPNIVTHBEMLUKK-GFCCVEGCSA-N 0 3 221.319 3.619 20 0 BHADHN CCCCN(CCCC)Cc1c(C)noc1C ZINC000052870322 323195713 /nfs/dbraw/zinc/19/57/13/323195713.db2.gz VGXDKXACPWTLJF-UHFFFAOYSA-N 0 3 238.375 3.694 20 0 BHADHN Cc1ccc(CN(C)CCCc2ccccc2)o1 ZINC000052922145 487952882 /nfs/dbraw/zinc/95/28/82/487952882.db2.gz KYORHJVDAKRINI-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN CCN[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000052924317 384718269 /nfs/dbraw/zinc/71/82/69/384718269.db2.gz DUGBPQIHQSUBON-NSHDSACASA-N 0 3 215.296 3.617 20 0 BHADHN CCN[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000052924318 384718180 /nfs/dbraw/zinc/71/81/80/384718180.db2.gz DUGBPQIHQSUBON-LLVKDONJSA-N 0 3 215.296 3.617 20 0 BHADHN Cc1ccc(CNC2CC(c3ccccc3)C2)o1 ZINC000053036353 358805856 /nfs/dbraw/zinc/80/58/56/358805856.db2.gz UFMPGYCPDLWHAP-UHFFFAOYSA-N 0 3 241.334 3.624 20 0 BHADHN CN(CCCc1ccccc1)Cc1ccsc1 ZINC000053134417 358102629 /nfs/dbraw/zinc/10/26/29/358102629.db2.gz JAPKYIOYUPIDCA-UHFFFAOYSA-N 0 3 245.391 3.813 20 0 BHADHN Fc1ccc(CNCc2ccccc2)cc1Cl ZINC000053149430 180968811 /nfs/dbraw/zinc/96/88/11/180968811.db2.gz JIWOLRYTYOBLAH-UHFFFAOYSA-N 0 3 249.716 3.769 20 0 BHADHN C[C@@H]1c2ccsc2CCN1Cc1ccccc1 ZINC000053150559 355837946 /nfs/dbraw/zinc/83/79/46/355837946.db2.gz YVJIFNCBRVVUOD-GFCCVEGCSA-N 0 3 243.375 3.867 20 0 BHADHN C[C@H]1c2ccsc2CCN1Cc1ccccc1 ZINC000053150561 358106286 /nfs/dbraw/zinc/10/62/86/358106286.db2.gz YVJIFNCBRVVUOD-LBPRGKRZSA-N 0 3 243.375 3.867 20 0 BHADHN CC(C)=CCN1CCc2sccc2[C@H]1C ZINC000053150796 488006289 /nfs/dbraw/zinc/00/62/89/488006289.db2.gz VLEHZVOZOSZULS-LLVKDONJSA-N 0 3 221.369 3.633 20 0 BHADHN CC(C)=CCN1CCc2sccc2[C@@H]1C ZINC000053150798 488005752 /nfs/dbraw/zinc/00/57/52/488005752.db2.gz VLEHZVOZOSZULS-NSHDSACASA-N 0 3 221.369 3.633 20 0 BHADHN CCNCc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000053294275 170130534 /nfs/dbraw/zinc/13/05/34/170130534.db2.gz NSHRJMNBGMUAAH-UHFFFAOYSA-N 0 3 246.379 3.536 20 0 BHADHN CCNCc1nc(-c2ccc(C)cc2C)cs1 ZINC000053294362 170130113 /nfs/dbraw/zinc/13/01/13/170130113.db2.gz NCOODGCMTBHOII-UHFFFAOYSA-N 0 3 246.379 3.536 20 0 BHADHN CCNCc1nc(-c2cc(C)ccc2C)cs1 ZINC000053294415 170130459 /nfs/dbraw/zinc/13/04/59/170130459.db2.gz MNIBSDIMOGBBLQ-UHFFFAOYSA-N 0 3 246.379 3.536 20 0 BHADHN Cc1sc(CNC(C)C)nc1-c1ccccc1 ZINC000053295454 358820953 /nfs/dbraw/zinc/82/09/53/358820953.db2.gz XQKKWKCTFGNJOD-UHFFFAOYSA-N 0 3 246.379 3.617 20 0 BHADHN CC(C)=CCN(C)[C@@H](C)c1ccc(F)cc1 ZINC000053422518 487597489 /nfs/dbraw/zinc/59/74/89/487597489.db2.gz NORDTFKICXGFLV-LBPRGKRZSA-N 0 3 221.319 3.785 20 0 BHADHN CC(C)=CCN(C)[C@H](C)c1ccc(F)cc1 ZINC000053422520 487597564 /nfs/dbraw/zinc/59/75/64/487597564.db2.gz NORDTFKICXGFLV-GFCCVEGCSA-N 0 3 221.319 3.785 20 0 BHADHN C[C@@H](c1cccs1)N(C)Cc1ccccc1 ZINC000053428374 491083053 /nfs/dbraw/zinc/08/30/53/491083053.db2.gz RSQSAULTYDFHKC-LBPRGKRZSA-N 0 3 231.364 3.941 20 0 BHADHN C[C@H](c1cccs1)N(C)Cc1ccccc1 ZINC000053428378 488060815 /nfs/dbraw/zinc/06/08/15/488060815.db2.gz RSQSAULTYDFHKC-GFCCVEGCSA-N 0 3 231.364 3.941 20 0 BHADHN CC(C)=CCN(C)[C@@H](C)c1cccs1 ZINC000053429459 348562219 /nfs/dbraw/zinc/56/22/19/348562219.db2.gz WEITWXHAFGEPBC-NSHDSACASA-N 0 3 209.358 3.707 20 0 BHADHN CC(C)=CCN(C)[C@H](C)c1cccs1 ZINC000053429463 348562132 /nfs/dbraw/zinc/56/21/32/348562132.db2.gz WEITWXHAFGEPBC-LLVKDONJSA-N 0 3 209.358 3.707 20 0 BHADHN CN(Cc1ccc(Cl)s1)C1CCCC1 ZINC000053435487 384859879 /nfs/dbraw/zinc/85/98/79/384859879.db2.gz HJUZFDUMICYVIN-UHFFFAOYSA-N 0 3 229.776 3.776 20 0 BHADHN CN(Cc1ccccc1Cl)C1CCCC1 ZINC000053435541 363287590 /nfs/dbraw/zinc/28/75/90/363287590.db2.gz YYPIDJVCQMKRMY-UHFFFAOYSA-N 0 3 223.747 3.714 20 0 BHADHN CCC(C)(C)OCCN[C@@H](C)c1cccs1 ZINC000053568748 384796402 /nfs/dbraw/zinc/79/64/02/384796402.db2.gz RVCRYGINVSRCFO-NSHDSACASA-N 0 3 241.400 3.604 20 0 BHADHN CCC(C)(C)OCCN[C@H](C)c1cccs1 ZINC000053568749 322854309 /nfs/dbraw/zinc/85/43/09/322854309.db2.gz RVCRYGINVSRCFO-LLVKDONJSA-N 0 3 241.400 3.604 20 0 BHADHN c1ccc(CNCCOC2CCCCCC2)cc1 ZINC000053590641 384721262 /nfs/dbraw/zinc/72/12/62/384721262.db2.gz JATAQOJTFFBXOO-UHFFFAOYSA-N 0 3 247.382 3.516 20 0 BHADHN C[C@@H](CNCc1ccco1)Sc1ccccc1 ZINC000053592832 384797324 /nfs/dbraw/zinc/79/73/24/384797324.db2.gz WPFKDUGZPJOHIN-LBPRGKRZSA-N 0 3 247.363 3.550 20 0 BHADHN C[C@H](CNCc1ccco1)Sc1ccccc1 ZINC000053592834 384796646 /nfs/dbraw/zinc/79/66/46/384796646.db2.gz WPFKDUGZPJOHIN-GFCCVEGCSA-N 0 3 247.363 3.550 20 0 BHADHN CC(C)SCCNCc1ccc(Cl)s1 ZINC000053623209 346950342 /nfs/dbraw/zinc/95/03/42/346950342.db2.gz WALPSBXJYNSQFJ-UHFFFAOYSA-N 0 3 249.832 3.633 20 0 BHADHN CC(C)CN(Cc1ccco1)Cc1cccs1 ZINC000053906582 363556269 /nfs/dbraw/zinc/55/62/69/363556269.db2.gz LSQUQZQFASVRDE-UHFFFAOYSA-N 0 3 249.379 3.999 20 0 BHADHN Cc1ccc(C(=O)CCN(C)CC(C)(C)C)cc1 ZINC000053936381 384726149 /nfs/dbraw/zinc/72/61/49/384726149.db2.gz HKKCOJCYUJUVLI-UHFFFAOYSA-N 0 3 247.382 3.546 20 0 BHADHN Cc1ccc(C(=O)CCN(C)CCC(C)C)cc1 ZINC000053936533 487666702 /nfs/dbraw/zinc/66/67/02/487666702.db2.gz GIJBDNJNEFFUMJ-UHFFFAOYSA-N 0 3 247.382 3.546 20 0 BHADHN NC1(c2nc(C3CCCC3)cs2)CCCC1 ZINC000054077684 181335250 /nfs/dbraw/zinc/33/52/50/181335250.db2.gz ONALMOKNICDKOO-UHFFFAOYSA-N 0 3 236.384 3.529 20 0 BHADHN c1sc([C@@H]2CCCCN2)nc1C1CCCC1 ZINC000054077718 487737293 /nfs/dbraw/zinc/73/72/93/487737293.db2.gz PYESSIIJYHIODX-NSHDSACASA-N 0 3 236.384 3.615 20 0 BHADHN c1sc([C@H]2CCCCN2)nc1C1CCCC1 ZINC000054077719 488210010 /nfs/dbraw/zinc/21/00/10/488210010.db2.gz PYESSIIJYHIODX-LLVKDONJSA-N 0 3 236.384 3.615 20 0 BHADHN C[C@H](Nc1cccc(CN(C)C)c1)C1CCCC1 ZINC000054079065 384730466 /nfs/dbraw/zinc/73/04/66/384730466.db2.gz BWJXBWGHIJXYBR-ZDUSSCGKSA-N 0 3 246.398 3.739 20 0 BHADHN C[C@@H](Nc1cccc(CN(C)C)c1)C1CCCC1 ZINC000054079068 384730019 /nfs/dbraw/zinc/73/00/19/384730019.db2.gz BWJXBWGHIJXYBR-CYBMUJFWSA-N 0 3 246.398 3.739 20 0 BHADHN Cc1sc([C@@H]2CCCCN2)nc1-c1ccco1 ZINC000054084003 488210183 /nfs/dbraw/zinc/21/01/83/488210183.db2.gz HBCPERHZWUKEFX-JTQLQIEISA-N 0 3 248.351 3.526 20 0 BHADHN Cc1sc([C@H]2CCCCN2)nc1-c1ccco1 ZINC000054084005 488209960 /nfs/dbraw/zinc/20/99/60/488209960.db2.gz HBCPERHZWUKEFX-SNVBAGLBSA-N 0 3 248.351 3.526 20 0 BHADHN CCCCN(C)Cc1cc(-c2ccccc2)no1 ZINC000054115210 487687834 /nfs/dbraw/zinc/68/78/34/487687834.db2.gz SFYKEBJAXDSTPR-UHFFFAOYSA-N 0 3 244.338 3.574 20 0 BHADHN CC[C@H](C)CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000054467064 384734456 /nfs/dbraw/zinc/73/44/56/384734456.db2.gz KJVYAVUKGBDZIW-GMXVVIOVSA-N 0 3 221.344 3.539 20 0 BHADHN CC[C@H](C)CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000054467067 384733383 /nfs/dbraw/zinc/73/33/83/384733383.db2.gz KJVYAVUKGBDZIW-GVXVVHGQSA-N 0 3 221.344 3.539 20 0 BHADHN CC[C@@H](C)CNCc1c(F)cccc1Cl ZINC000054467283 384734937 /nfs/dbraw/zinc/73/49/37/384734937.db2.gz RMHYTIAGRNGMBZ-SECBINFHSA-N 0 3 229.726 3.615 20 0 BHADHN CC[C@H](C)CNCc1c(F)cccc1Cl ZINC000054467285 323087162 /nfs/dbraw/zinc/08/71/62/323087162.db2.gz RMHYTIAGRNGMBZ-VIFPVBQESA-N 0 3 229.726 3.615 20 0 BHADHN CC(C)C1CCC(NCc2ccco2)CC1 ZINC000054554353 322856359 /nfs/dbraw/zinc/85/63/59/322856359.db2.gz AAEPHDAFMJBUMV-UHFFFAOYSA-N 0 3 221.344 3.584 20 0 BHADHN CC(C)[C@H](NCc1cncs1)c1ccccc1 ZINC000054770702 384855728 /nfs/dbraw/zinc/85/57/28/384855728.db2.gz YDGWRWKTIULDAL-AWEZNQCLSA-N 0 3 246.379 3.630 20 0 BHADHN CC(C)[C@@H](NCc1cncs1)c1ccccc1 ZINC000054770703 384853699 /nfs/dbraw/zinc/85/36/99/384853699.db2.gz YDGWRWKTIULDAL-CQSZACIVSA-N 0 3 246.379 3.630 20 0 BHADHN CC[C@H](NCc1cncs1)c1ccc(C)cc1 ZINC000054770850 640411218 /nfs/dbraw/zinc/41/12/18/640411218.db2.gz ZYHLYTUCGPCXNE-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1cncs1)c1ccc(C)cc1 ZINC000054770851 640411961 /nfs/dbraw/zinc/41/19/61/640411961.db2.gz ZYHLYTUCGPCXNE-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN CCC[C@H](NCc1cncs1)c1ccccc1 ZINC000054770887 384855027 /nfs/dbraw/zinc/85/50/27/384855027.db2.gz WTCLBXGMNCMPIY-AWEZNQCLSA-N 0 3 246.379 3.774 20 0 BHADHN CCC[C@@H](NCc1cncs1)c1ccccc1 ZINC000054770888 384854333 /nfs/dbraw/zinc/85/43/33/384854333.db2.gz WTCLBXGMNCMPIY-CQSZACIVSA-N 0 3 246.379 3.774 20 0 BHADHN CCCCCC[C@@H](C)NCc1cncs1 ZINC000054771138 385660967 /nfs/dbraw/zinc/66/09/67/385660967.db2.gz RRWDRPZIQITNEE-LLVKDONJSA-N 0 3 226.389 3.592 20 0 BHADHN CCCCCC[C@H](C)NCc1cncs1 ZINC000054771139 385660622 /nfs/dbraw/zinc/66/06/22/385660622.db2.gz RRWDRPZIQITNEE-NSHDSACASA-N 0 3 226.389 3.592 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cncs2)c(C)c1 ZINC000054788163 384854408 /nfs/dbraw/zinc/85/44/08/384854408.db2.gz YKRXDUJSCKNHFE-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc([C@H](C)NCc2cncs2)c(C)c1 ZINC000054788164 384855478 /nfs/dbraw/zinc/85/54/78/384855478.db2.gz YKRXDUJSCKNHFE-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CCc1nc(CNC2CCCCCC2)cs1 ZINC000054918125 632520928 /nfs/dbraw/zinc/52/09/28/632520928.db2.gz NBYWRVRJCZROOP-UHFFFAOYSA-N 0 3 238.400 3.518 20 0 BHADHN Cl/C=C/CN1CCC[C@H]1c1ccccc1 ZINC000054993531 640427928 /nfs/dbraw/zinc/42/79/28/640427928.db2.gz GUCAKZNATBWXFW-NEXMIYJRSA-N 0 3 221.731 3.576 20 0 BHADHN Cl/C=C/CN1CCC[C@@H]1c1ccccc1 ZINC000054993532 640428422 /nfs/dbraw/zinc/42/84/22/640428422.db2.gz GUCAKZNATBWXFW-OMDQHUAHSA-N 0 3 221.731 3.576 20 0 BHADHN Cc1occc1CN(C)CCCc1ccccc1 ZINC000055054460 363584873 /nfs/dbraw/zinc/58/48/73/363584873.db2.gz CICPWYOBLSLPQG-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN CCN[C@@H](C)c1cccc(Cl)c1Cl ZINC000055224146 384739461 /nfs/dbraw/zinc/73/94/61/384739461.db2.gz UAGXBIJEKRTKRB-ZETCQYMHSA-N 0 3 218.127 3.664 20 0 BHADHN CCN[C@H](C)c1cccc(Cl)c1Cl ZINC000055224148 388597145 /nfs/dbraw/zinc/59/71/45/388597145.db2.gz UAGXBIJEKRTKRB-SSDOTTSWSA-N 0 3 218.127 3.664 20 0 BHADHN Cc1cccc(CNCc2cccc(C)c2C)c1 ZINC000055386040 179094000 /nfs/dbraw/zinc/09/40/00/179094000.db2.gz XMBJUPFFRBDXGQ-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN Cc1cc(NC2CCC2)c2ccccc2n1 ZINC000055460249 322857172 /nfs/dbraw/zinc/85/71/72/322857172.db2.gz TWKZUHBNEUHTJW-UHFFFAOYSA-N 0 3 212.296 3.508 20 0 BHADHN Cc1ccc(CNCc2sccc2C)s1 ZINC000055483344 385924077 /nfs/dbraw/zinc/92/40/77/385924077.db2.gz SBCDWEJXKBXYFF-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN C[C@@H](CCc1ccccc1)N(C)Cc1ccco1 ZINC000055898797 388094305 /nfs/dbraw/zinc/09/43/05/388094305.db2.gz BDUUWUWSSGBLSL-AWEZNQCLSA-N 0 3 243.350 3.733 20 0 BHADHN C[C@H](CCc1ccccc1)N(C)Cc1ccco1 ZINC000055898798 388094602 /nfs/dbraw/zinc/09/46/02/388094602.db2.gz BDUUWUWSSGBLSL-CQSZACIVSA-N 0 3 243.350 3.733 20 0 BHADHN CCCCOCCN(C)[C@@H](C)c1cccs1 ZINC000056267868 369355957 /nfs/dbraw/zinc/35/59/57/369355957.db2.gz NXPOLJZNQCOWQT-LBPRGKRZSA-N 0 3 241.400 3.558 20 0 BHADHN CCCCOCCN(C)[C@H](C)c1cccs1 ZINC000056267869 345903424 /nfs/dbraw/zinc/90/34/24/345903424.db2.gz NXPOLJZNQCOWQT-GFCCVEGCSA-N 0 3 241.400 3.558 20 0 BHADHN C[C@@H](c1cccc(F)c1)N1CCC[C@@H](C)C1 ZINC000056492305 369359743 /nfs/dbraw/zinc/35/97/43/369359743.db2.gz QDBZCBNBJCWTBW-NEPJUHHUSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@@H](c1cccc(F)c1)N1CCC[C@H](C)C1 ZINC000056492308 369359790 /nfs/dbraw/zinc/35/97/90/369359790.db2.gz QDBZCBNBJCWTBW-RYUDHWBXSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@@H](c1cccc(F)c1)N1CCC(C)CC1 ZINC000056492365 369359732 /nfs/dbraw/zinc/35/97/32/369359732.db2.gz CNXRTORZAINNLK-LBPRGKRZSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@H](c1cccc(F)c1)N1CCC(C)CC1 ZINC000056492368 369359840 /nfs/dbraw/zinc/35/98/40/369359840.db2.gz CNXRTORZAINNLK-GFCCVEGCSA-N 0 3 221.319 3.619 20 0 BHADHN CC[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC000057476671 369397449 /nfs/dbraw/zinc/39/74/49/369397449.db2.gz YEXNZIIMHWRPNN-CQSZACIVSA-N 0 3 221.319 3.590 20 0 BHADHN CC[C@H]1CCCCN1Cc1cccc(F)c1 ZINC000057476672 369397349 /nfs/dbraw/zinc/39/73/49/369397349.db2.gz YEXNZIIMHWRPNN-AWEZNQCLSA-N 0 3 221.319 3.590 20 0 BHADHN CCCc1ccc(CNCc2ccccc2)cc1 ZINC000057529917 388361484 /nfs/dbraw/zinc/36/14/84/388361484.db2.gz YZRNCNHWXOTAOD-UHFFFAOYSA-N 0 3 239.362 3.929 20 0 BHADHN CCN(CC=C(C)C)Cc1cccs1 ZINC000057600991 387139241 /nfs/dbraw/zinc/13/92/41/387139241.db2.gz NFUQTBIDXIVKQD-UHFFFAOYSA-N 0 3 209.358 3.536 20 0 BHADHN CC(C)=CCN(Cc1ccc(F)cc1)C1CC1 ZINC000057621148 487981507 /nfs/dbraw/zinc/98/15/07/487981507.db2.gz DGYDGNVVWIQLRT-UHFFFAOYSA-N 0 3 233.330 3.756 20 0 BHADHN CCCCN(Cc1ccccc1F)C1CC1 ZINC000057623502 487582416 /nfs/dbraw/zinc/58/24/16/487582416.db2.gz CECRGJRQYRKDRE-UHFFFAOYSA-N 0 3 221.319 3.590 20 0 BHADHN CC(C)CCN(Cc1ccccc1F)C1CC1 ZINC000057623503 353397909 /nfs/dbraw/zinc/39/79/09/353397909.db2.gz ORYLBVCCQDUZRN-UHFFFAOYSA-N 0 3 235.346 3.836 20 0 BHADHN CCN1CCc2sccc2[C@@H]1c1cccs1 ZINC000057626774 387142087 /nfs/dbraw/zinc/14/20/87/387142087.db2.gz QFXDUHUBBNLTBI-CYBMUJFWSA-N 0 3 249.404 3.777 20 0 BHADHN CCN1CCc2sccc2[C@H]1c1cccs1 ZINC000057626776 387141549 /nfs/dbraw/zinc/14/15/49/387141549.db2.gz QFXDUHUBBNLTBI-ZDUSSCGKSA-N 0 3 249.404 3.777 20 0 BHADHN FC(F)(F)c1ccc(CN2CCCCC2)cc1 ZINC000057948397 345966557 /nfs/dbraw/zinc/96/65/57/345966557.db2.gz KYUHBHAEAGCKHX-UHFFFAOYSA-N 0 3 243.272 3.691 20 0 BHADHN Cc1ccc(CNCc2ccsc2)c(C)c1 ZINC000057993826 384977174 /nfs/dbraw/zinc/97/71/74/384977174.db2.gz HZZDSEMJTKBKDO-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN CC(C)CNCc1nc(-c2ccccc2)cs1 ZINC000057997851 167010852 /nfs/dbraw/zinc/01/08/52/167010852.db2.gz KKVJNPZOKPLYOP-UHFFFAOYSA-N 0 3 246.379 3.556 20 0 BHADHN CCCCNCc1nc(-c2ccccc2)cs1 ZINC000057997896 633084834 /nfs/dbraw/zinc/08/48/34/633084834.db2.gz MSQCAIKJFGWUCR-UHFFFAOYSA-N 0 3 246.379 3.700 20 0 BHADHN c1cc(CNCc2cccc3ccccc32)co1 ZINC000057998176 398105646 /nfs/dbraw/zinc/10/56/46/398105646.db2.gz KLDOMJNUDQRVFN-UHFFFAOYSA-N 0 3 237.302 3.723 20 0 BHADHN Cc1ccc(C)c(CNCc2ccsc2)c1 ZINC000058003932 487750187 /nfs/dbraw/zinc/75/01/87/487750187.db2.gz NYIWNRMXGZKDDP-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1ccsc1CN(C)Cc1ccc(C)cc1 ZINC000058016950 368506029 /nfs/dbraw/zinc/50/60/29/368506029.db2.gz KDPJDZHUJAGCOY-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN Cc1ccsc1CN(C)Cc1cccc(C)c1 ZINC000058016977 343696135 /nfs/dbraw/zinc/69/61/35/343696135.db2.gz SEZOZKAABJXZHT-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN Cl/C=C/CN1CCC(Cc2ccccc2)CC1 ZINC000058470027 711829642 /nfs/dbraw/zinc/82/96/42/711829642.db2.gz HBYNJWAAIRPCSL-RUDMXATFSA-N 0 3 249.785 3.694 20 0 BHADHN c1cc(CNCc2cc3ccccc3[nH]2)cs1 ZINC000058474033 358911233 /nfs/dbraw/zinc/91/12/33/358911233.db2.gz MQEGRBHULFWBRU-UHFFFAOYSA-N 0 3 242.347 3.519 20 0 BHADHN C#CCN1CCC(c2cccc3ccccc32)CC1 ZINC000058525118 640714048 /nfs/dbraw/zinc/71/40/48/640714048.db2.gz QLCMGJQUWVVEDE-UHFFFAOYSA-N 0 3 249.357 3.652 20 0 BHADHN Cl/C=C/CN1CCC(c2ccccc2)CC1 ZINC000058626549 640725691 /nfs/dbraw/zinc/72/56/91/640725691.db2.gz JVPKNMAZMKCVDL-RUDMXATFSA-N 0 3 235.758 3.619 20 0 BHADHN CC[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000058773473 411265425 /nfs/dbraw/zinc/26/54/25/411265425.db2.gz QCVISHPOFVBGOJ-GFCCVEGCSA-N 0 3 237.774 3.962 20 0 BHADHN CC[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000058773474 411265390 /nfs/dbraw/zinc/26/53/90/411265390.db2.gz QCVISHPOFVBGOJ-LBPRGKRZSA-N 0 3 237.774 3.962 20 0 BHADHN CC[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000058773477 368521270 /nfs/dbraw/zinc/52/12/70/368521270.db2.gz FPLJLHFIMIIYFQ-GFCCVEGCSA-N 0 3 237.774 3.962 20 0 BHADHN CC[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000058773478 368521571 /nfs/dbraw/zinc/52/15/71/368521571.db2.gz FPLJLHFIMIIYFQ-LBPRGKRZSA-N 0 3 237.774 3.962 20 0 BHADHN CCN(CC=C(C)C)Cc1ccccc1C ZINC000058773510 411265972 /nfs/dbraw/zinc/26/59/72/411265972.db2.gz OEWOFKADTYFPDQ-UHFFFAOYSA-N 0 3 217.356 3.783 20 0 BHADHN CCC[C@@H](C)N(C)Cc1cc(C)ccc1OC ZINC000058773593 368520848 /nfs/dbraw/zinc/52/08/48/368520848.db2.gz AOAKQQBITZRRTB-CYBMUJFWSA-N 0 3 235.371 3.624 20 0 BHADHN CCC[C@H](C)N(C)Cc1cc(C)ccc1OC ZINC000058773594 368520742 /nfs/dbraw/zinc/52/07/42/368520742.db2.gz AOAKQQBITZRRTB-ZDUSSCGKSA-N 0 3 235.371 3.624 20 0 BHADHN CCC[C@@H](C)N(C)Cc1nc2ccccc2s1 ZINC000058790889 368520672 /nfs/dbraw/zinc/52/06/72/368520672.db2.gz FFFHYLRISDRUFC-LLVKDONJSA-N 0 3 248.395 3.917 20 0 BHADHN CCC[C@H](C)N(C)Cc1nc2ccccc2s1 ZINC000058790892 368520710 /nfs/dbraw/zinc/52/07/10/368520710.db2.gz FFFHYLRISDRUFC-NSHDSACASA-N 0 3 248.395 3.917 20 0 BHADHN CC1CCC(CNCc2ccc(Cl)o2)CC1 ZINC000058872524 385030452 /nfs/dbraw/zinc/03/04/52/385030452.db2.gz ZJLFPSJUBOJSOY-UHFFFAOYSA-N 0 3 241.762 3.849 20 0 BHADHN Cc1ccc(CNCC2CCC(C)CC2)o1 ZINC000058872569 358914741 /nfs/dbraw/zinc/91/47/41/358914741.db2.gz PYSFNLVJFUPDJA-UHFFFAOYSA-N 0 3 221.344 3.504 20 0 BHADHN CSc1ccc(CNCc2ccsc2)cc1 ZINC000058872736 358915366 /nfs/dbraw/zinc/91/53/66/358915366.db2.gz ZJNOVDGAPRWYJS-UHFFFAOYSA-N 0 3 249.404 3.760 20 0 BHADHN CC(C)(CCNCc1ccco1)c1ccccc1 ZINC000058872777 372107642 /nfs/dbraw/zinc/10/76/42/372107642.db2.gz HVFMKAUNJTTXDR-UHFFFAOYSA-N 0 3 243.350 3.737 20 0 BHADHN c1ccc2sc(CN3CCCCCC3)nc2c1 ZINC000058873646 387195932 /nfs/dbraw/zinc/19/59/32/387195932.db2.gz LTHGNVWFWXQHMM-UHFFFAOYSA-N 0 3 246.379 3.672 20 0 BHADHN CN(Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000058873971 351859138 /nfs/dbraw/zinc/85/91/38/351859138.db2.gz VMPGEODTBFWVHH-UHFFFAOYSA-N 0 3 245.753 3.972 20 0 BHADHN Cc1ccc(CN(C)Cc2ccccc2)cc1 ZINC000058873984 384750428 /nfs/dbraw/zinc/75/04/28/384750428.db2.gz RYSNNTUJVGIRAL-UHFFFAOYSA-N 0 3 225.335 3.627 20 0 BHADHN CC[C@H]1CCCCN1Cc1ccccc1F ZINC000058874210 372108034 /nfs/dbraw/zinc/10/80/34/372108034.db2.gz IJGSVXDZYBVULK-ZDUSSCGKSA-N 0 3 221.319 3.590 20 0 BHADHN CSc1ccc(CN2CCC[C@@H](C)C2)cc1 ZINC000058874507 368523161 /nfs/dbraw/zinc/52/31/61/368523161.db2.gz GHPTYCMCZGBONH-GFCCVEGCSA-N 0 3 235.396 3.640 20 0 BHADHN CSc1ccc(CN2CCCC[C@H]2C)cc1 ZINC000058875205 368523613 /nfs/dbraw/zinc/52/36/13/368523613.db2.gz MMEDWDAHYQUSJZ-GFCCVEGCSA-N 0 3 235.396 3.783 20 0 BHADHN Cc1ccc(CN(C)Cc2cccc(F)c2)cc1 ZINC000058876614 372108122 /nfs/dbraw/zinc/10/81/22/372108122.db2.gz IFQMZRNRQJBDGD-UHFFFAOYSA-N 0 3 243.325 3.766 20 0 BHADHN Cc1ccccc1CN(C)Cc1cccc(F)c1 ZINC000058876624 372107216 /nfs/dbraw/zinc/10/72/16/372107216.db2.gz CWDSEDXPQRDKNB-UHFFFAOYSA-N 0 3 243.325 3.766 20 0 BHADHN Cc1ccccc1CN(C)Cc1ccc(F)cc1 ZINC000058876689 368523924 /nfs/dbraw/zinc/52/39/24/368523924.db2.gz OOFGEGJVYIZOAA-UHFFFAOYSA-N 0 3 243.325 3.766 20 0 BHADHN Cc1ccc(C)c(CN(C)Cc2cccs2)c1 ZINC000058886642 372110230 /nfs/dbraw/zinc/11/02/30/372110230.db2.gz SKLFEWKKXLVUPK-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CN(C/C=C/c1ccccc1)Cc1cccs1 ZINC000058886649 398202210 /nfs/dbraw/zinc/20/22/10/398202210.db2.gz LIUSBRCZEHUEFC-WEVVVXLNSA-N 0 3 243.375 3.893 20 0 BHADHN Cc1ccc(CN(C)Cc2ccc(F)cc2)cc1 ZINC000058887156 368524865 /nfs/dbraw/zinc/52/48/65/368524865.db2.gz HJKXPPROSVFBDG-UHFFFAOYSA-N 0 3 243.325 3.766 20 0 BHADHN C[C@@H]1CCCN(CCc2ccccc2Cl)C1 ZINC000058905653 368525071 /nfs/dbraw/zinc/52/50/71/368525071.db2.gz QZQOCTVZOMQBOM-GFCCVEGCSA-N 0 3 237.774 3.614 20 0 BHADHN C[C@H]1CCCCN1CCc1ccccc1Cl ZINC000058905711 368524676 /nfs/dbraw/zinc/52/46/76/368524676.db2.gz QYFIXNULRPEXRR-LBPRGKRZSA-N 0 3 237.774 3.757 20 0 BHADHN CC1CCN(CCc2ccccc2Cl)CC1 ZINC000058906125 368525205 /nfs/dbraw/zinc/52/52/05/368525205.db2.gz IWGHIZWECBJVCV-UHFFFAOYSA-N 0 3 237.774 3.614 20 0 BHADHN FC(F)(F)CCN[C@H]1CCCc2ccccc21 ZINC000059099938 324003659 /nfs/dbraw/zinc/00/36/59/324003659.db2.gz BHQWJWJBHKTXKS-LBPRGKRZSA-N 0 3 243.272 3.606 20 0 BHADHN FC(F)(F)CCN[C@@H]1CCCc2ccccc21 ZINC000059099941 324003526 /nfs/dbraw/zinc/00/35/26/324003526.db2.gz BHQWJWJBHKTXKS-GFCCVEGCSA-N 0 3 243.272 3.606 20 0 BHADHN CCCCCNCc1cnc(C(C)(C)C)s1 ZINC000059180743 386382527 /nfs/dbraw/zinc/38/25/27/386382527.db2.gz VQLASQNJSPQYFS-UHFFFAOYSA-N 0 3 240.416 3.720 20 0 BHADHN CCc1ccc([C@@H](C)NCCC(F)(F)F)cc1 ZINC000059313252 324007540 /nfs/dbraw/zinc/00/75/40/324007540.db2.gz USCPPVJOTFRZIW-SNVBAGLBSA-N 0 3 245.288 3.852 20 0 BHADHN CCc1ccc([C@H](C)NCCC(F)(F)F)cc1 ZINC000059313253 324007408 /nfs/dbraw/zinc/00/74/08/324007408.db2.gz USCPPVJOTFRZIW-JTQLQIEISA-N 0 3 245.288 3.852 20 0 BHADHN Cc1ccccc1[C@@H](C)NCCC(F)(F)F ZINC000059313258 179319591 /nfs/dbraw/zinc/31/95/91/179319591.db2.gz BGUCDVRQVJSZJU-SNVBAGLBSA-N 0 3 231.261 3.598 20 0 BHADHN Cc1ccccc1[C@H](C)NCCC(F)(F)F ZINC000059313260 179337060 /nfs/dbraw/zinc/33/70/60/179337060.db2.gz BGUCDVRQVJSZJU-JTQLQIEISA-N 0 3 231.261 3.598 20 0 BHADHN Cc1ccc(C)c([C@@H](C)NCCC(F)(F)F)c1 ZINC000059313270 324007606 /nfs/dbraw/zinc/00/76/06/324007606.db2.gz AHLUDTGAUDZHIH-LLVKDONJSA-N 0 3 245.288 3.906 20 0 BHADHN Cc1ccc(C)c([C@H](C)NCCC(F)(F)F)c1 ZINC000059313272 324008015 /nfs/dbraw/zinc/00/80/15/324008015.db2.gz AHLUDTGAUDZHIH-NSHDSACASA-N 0 3 245.288 3.906 20 0 BHADHN CC[C@H](NCCC(F)(F)F)c1ccc(C)cc1 ZINC000059313322 358919123 /nfs/dbraw/zinc/91/91/23/358919123.db2.gz HZRXLVBDGRZGKQ-LBPRGKRZSA-N 0 3 245.288 3.988 20 0 BHADHN CC[C@@H](NCCC(F)(F)F)c1ccc(C)cc1 ZINC000059313323 358919392 /nfs/dbraw/zinc/91/93/92/358919392.db2.gz HZRXLVBDGRZGKQ-GFCCVEGCSA-N 0 3 245.288 3.988 20 0 BHADHN CC(C)[C@H](NCCC(F)(F)F)c1ccccc1 ZINC000059382924 324011086 /nfs/dbraw/zinc/01/10/86/324011086.db2.gz IJIDQGCDGWPYFL-LBPRGKRZSA-N 0 3 245.288 3.926 20 0 BHADHN CC(C)[C@@H](NCCC(F)(F)F)c1ccccc1 ZINC000059382925 324011483 /nfs/dbraw/zinc/01/14/83/324011483.db2.gz IJIDQGCDGWPYFL-GFCCVEGCSA-N 0 3 245.288 3.926 20 0 BHADHN Cc1cc(C)cc(CNCc2ccsc2)c1 ZINC000059639299 385052064 /nfs/dbraw/zinc/05/20/64/385052064.db2.gz ALZXTNMZIRLCSP-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN COc1ccc([C@H](C)NCc2ccsc2)cc1 ZINC000059917822 175189726 /nfs/dbraw/zinc/18/97/26/175189726.db2.gz YIDPURPICSRKIG-NSHDSACASA-N 0 3 247.363 3.608 20 0 BHADHN COc1ccc([C@@H](C)NCc2ccsc2)cc1 ZINC000059917824 175176881 /nfs/dbraw/zinc/17/68/81/175176881.db2.gz YIDPURPICSRKIG-LLVKDONJSA-N 0 3 247.363 3.608 20 0 BHADHN CCc1ccc(CNCc2ccsc2)cc1 ZINC000059917849 640838500 /nfs/dbraw/zinc/83/85/00/640838500.db2.gz ZIAJDPVBHSERNV-UHFFFAOYSA-N 0 3 231.364 3.600 20 0 BHADHN Cc1cc(C)c(CNCc2ccsc2)c(C)c1 ZINC000059917850 640838383 /nfs/dbraw/zinc/83/83/83/640838383.db2.gz CLNXUPGXAAKLSM-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1ccc(CN2CCc3ccsc3C2)cc1 ZINC000060194051 349512621 /nfs/dbraw/zinc/51/26/21/349512621.db2.gz PKFQAMHYMPDQEQ-UHFFFAOYSA-N 0 3 243.375 3.615 20 0 BHADHN CC[N@@H+](Cc1cccc([O-])c1)C1CCCCC1 ZINC000060201668 360175027 /nfs/dbraw/zinc/17/50/27/360175027.db2.gz SPJNTBXYHQDPGH-UHFFFAOYSA-N 0 3 233.355 3.547 20 0 BHADHN CC[N@H+](Cc1cccc([O-])c1)C1CCCCC1 ZINC000060201668 360175026 /nfs/dbraw/zinc/17/50/26/360175026.db2.gz SPJNTBXYHQDPGH-UHFFFAOYSA-N 0 3 233.355 3.547 20 0 BHADHN C[C@@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000060459748 368543695 /nfs/dbraw/zinc/54/36/95/368543695.db2.gz FFSIRIMKQVVNRB-NSHDSACASA-N 0 3 223.747 3.887 20 0 BHADHN C[C@H](c1ccc(F)cc1F)N1CCCCCC1 ZINC000060459787 368543577 /nfs/dbraw/zinc/54/35/77/368543577.db2.gz AIGNCABHXZIYBI-LLVKDONJSA-N 0 3 239.309 3.902 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1CCCCCC1 ZINC000060459798 368543118 /nfs/dbraw/zinc/54/31/18/368543118.db2.gz KEZWEBSKVYSBJE-NSHDSACASA-N 0 3 239.309 3.902 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H](C)C1 ZINC000060460134 368543681 /nfs/dbraw/zinc/54/36/81/368543681.db2.gz QLCDFYXQVOAWJC-GHMZBOCLSA-N 0 3 239.309 3.758 20 0 BHADHN Fc1ccccc1CN(C1CC1)C1CCCC1 ZINC000060562497 369494188 /nfs/dbraw/zinc/49/41/88/369494188.db2.gz JFLVUXRVTVXYHD-UHFFFAOYSA-N 0 3 233.330 3.733 20 0 BHADHN CC[C@@H](C)N(C)Cc1cc(-c2ccccc2)no1 ZINC000060575357 368547594 /nfs/dbraw/zinc/54/75/94/368547594.db2.gz QYOVLLJMPQIWBR-GFCCVEGCSA-N 0 3 244.338 3.572 20 0 BHADHN CN(Cc1ccco1)[C@@H]1CCCc2ccccc21 ZINC000060755324 324047522 /nfs/dbraw/zinc/04/75/22/324047522.db2.gz NTBTWKISDMPBNO-MRXNPFEDSA-N 0 3 241.334 3.789 20 0 BHADHN CC[C@@H](c1ccccc1)N1C[C@@H](C)OC(C)(C)C1 ZINC000060876784 344461740 /nfs/dbraw/zinc/46/17/40/344461740.db2.gz XTPORUWDGMFMBL-HIFRSBDPSA-N 0 3 247.382 3.637 20 0 BHADHN CN(Cc1ccccc1Cl)CC1CCCC1 ZINC000060961091 411439782 /nfs/dbraw/zinc/43/97/82/411439782.db2.gz UDPGRUJSXJCWJU-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN CCCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000060977893 368556591 /nfs/dbraw/zinc/55/65/91/368556591.db2.gz KKHXCJSKDKRVDC-UHFFFAOYSA-N 0 3 232.154 3.835 20 0 BHADHN CCCN(CC)Cc1ccccc1Cl ZINC000060979414 368556940 /nfs/dbraw/zinc/55/69/40/368556940.db2.gz NKLXEBDJAHKNQU-UHFFFAOYSA-N 0 3 211.736 3.572 20 0 BHADHN Cc1ccccc1CCNCc1ccc(Cl)o1 ZINC000061014203 324054149 /nfs/dbraw/zinc/05/41/49/324054149.db2.gz UHKXMXCTTDJCRC-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN c1ccc(CNCc2cccc3cnccc32)cc1 ZINC000061124797 487606544 /nfs/dbraw/zinc/60/65/44/487606544.db2.gz HGJQJWWHTSNMEA-UHFFFAOYSA-N 0 3 248.329 3.525 20 0 BHADHN CC(C)=CCN(C)[C@H](C)c1ccc(C)cc1 ZINC000061255850 411155288 /nfs/dbraw/zinc/15/52/88/411155288.db2.gz NHUOPZXDVOMTTA-CQSZACIVSA-N 0 3 217.356 3.954 20 0 BHADHN CC(C)(C)c1ccc(CN2CCSCC2)cc1 ZINC000061283547 368561113 /nfs/dbraw/zinc/56/11/13/368561113.db2.gz BDBBQVHCTSTYKM-UHFFFAOYSA-N 0 3 249.423 3.533 20 0 BHADHN c1cc2c(s1)CCC[C@H]2NCc1ccccc1 ZINC000061324323 384395752 /nfs/dbraw/zinc/39/57/52/384395752.db2.gz NJSXYOVHVDXMPK-CQSZACIVSA-N 0 3 243.375 3.915 20 0 BHADHN c1cc2c(s1)CCC[C@@H]2NCc1ccccc1 ZINC000061324325 384395169 /nfs/dbraw/zinc/39/51/69/384395169.db2.gz NJSXYOVHVDXMPK-AWEZNQCLSA-N 0 3 243.375 3.915 20 0 BHADHN c1cc(CN[C@@H]2CCCc3sccc32)cs1 ZINC000061331014 183352719 /nfs/dbraw/zinc/35/27/19/183352719.db2.gz ATMAINJWQFPWAH-GFCCVEGCSA-N 0 3 249.404 3.977 20 0 BHADHN c1cc(CN[C@H]2CCCc3sccc32)cs1 ZINC000061331016 183353033 /nfs/dbraw/zinc/35/30/33/183353033.db2.gz ATMAINJWQFPWAH-LBPRGKRZSA-N 0 3 249.404 3.977 20 0 BHADHN Cc1ccsc1CN[C@@H](C)c1ccsc1 ZINC000061360635 386509233 /nfs/dbraw/zinc/50/92/33/386509233.db2.gz RSVIZKRCMAGNIK-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN Cc1ccsc1CN[C@H](C)c1ccsc1 ZINC000061360636 386508047 /nfs/dbraw/zinc/50/80/47/386508047.db2.gz RSVIZKRCMAGNIK-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN C[C@H](NCc1ccsc1)c1ccsc1 ZINC000061360639 386508201 /nfs/dbraw/zinc/50/82/01/386508201.db2.gz LYMCSCYCMQGIAG-VIFPVBQESA-N 0 3 223.366 3.660 20 0 BHADHN C[C@@H](NCc1ccsc1)c1ccsc1 ZINC000061360640 386508443 /nfs/dbraw/zinc/50/84/43/386508443.db2.gz LYMCSCYCMQGIAG-SECBINFHSA-N 0 3 223.366 3.660 20 0 BHADHN C(=C/c1ccccc1)\CNCc1ccsc1 ZINC000061559802 358933873 /nfs/dbraw/zinc/93/38/73/358933873.db2.gz ARFJMGHKHYLODB-QPJJXVBHSA-N 0 3 229.348 3.551 20 0 BHADHN CC[C@@H](C)NCc1nc(-c2ccccc2)cs1 ZINC000061680707 385132042 /nfs/dbraw/zinc/13/20/42/385132042.db2.gz QPJGAEHMJOPAPD-LLVKDONJSA-N 0 3 246.379 3.698 20 0 BHADHN CC[C@H](C)NCc1nc(-c2ccccc2)cs1 ZINC000061680708 171343700 /nfs/dbraw/zinc/34/37/00/171343700.db2.gz QPJGAEHMJOPAPD-NSHDSACASA-N 0 3 246.379 3.698 20 0 BHADHN Cc1cccc(CN(C)Cc2ccccc2)c1 ZINC000061745458 179066863 /nfs/dbraw/zinc/06/68/63/179066863.db2.gz CPBAOYMNVHXSQG-UHFFFAOYSA-N 0 3 225.335 3.627 20 0 BHADHN Cc1cc(C)cc(CN(C)Cc2ccccc2)c1 ZINC000061745461 368567904 /nfs/dbraw/zinc/56/79/04/368567904.db2.gz KYGHFYOZCIHJCG-UHFFFAOYSA-N 0 3 239.362 3.935 20 0 BHADHN CC[C@H]1CCCCN1Cc1nc2ccccc2o1 ZINC000061745676 324102582 /nfs/dbraw/zinc/10/25/82/324102582.db2.gz MZYWXBLJOTYFAD-LBPRGKRZSA-N 0 3 244.338 3.592 20 0 BHADHN CN(Cc1nc2ccccc2o1)C1CCCCC1 ZINC000061757200 324103743 /nfs/dbraw/zinc/10/37/43/324103743.db2.gz CTWAXPOWBLEFAA-UHFFFAOYSA-N 0 3 244.338 3.592 20 0 BHADHN CCCCN(C)Cc1ccc(Cl)s1 ZINC000061757689 360662397 /nfs/dbraw/zinc/66/23/97/360662397.db2.gz GCYDIXPIHMHARP-UHFFFAOYSA-N 0 3 217.765 3.633 20 0 BHADHN CCN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000061758139 368569045 /nfs/dbraw/zinc/56/90/45/368569045.db2.gz PFOVIPRRYLIFCY-UHFFFAOYSA-N 0 3 243.325 3.848 20 0 BHADHN CCN(Cc1ccccc1)Cc1cccc(F)c1 ZINC000061758228 368568298 /nfs/dbraw/zinc/56/82/98/368568298.db2.gz BBTLYTPSHYCSAG-UHFFFAOYSA-N 0 3 243.325 3.848 20 0 BHADHN c1ccc2oc(CN3CCCCCCC3)nc2c1 ZINC000061758476 640993765 /nfs/dbraw/zinc/99/37/65/640993765.db2.gz DZHCPFVBFKHGMP-UHFFFAOYSA-N 0 3 244.338 3.594 20 0 BHADHN Cc1cccc(CN(C)Cc2ccccc2C)c1 ZINC000061760205 368568781 /nfs/dbraw/zinc/56/87/81/368568781.db2.gz YDPMUIKFBRIMER-UHFFFAOYSA-N 0 3 239.362 3.935 20 0 BHADHN Cc1cc(C)cc(CN(C)Cc2cccs2)c1 ZINC000061779180 368570209 /nfs/dbraw/zinc/57/02/09/368570209.db2.gz IXRKJPSENKWMRE-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CC(C)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000061779192 353532078 /nfs/dbraw/zinc/53/20/78/353532078.db2.gz BXNMPLQBRJFVDG-UHFFFAOYSA-N 0 3 232.154 3.834 20 0 BHADHN Cc1ccc(CN(C)Cc2cccc(C)c2)cc1 ZINC000061779256 368570272 /nfs/dbraw/zinc/57/02/72/368570272.db2.gz GKHYRHHDDAWLFU-UHFFFAOYSA-N 0 3 239.362 3.935 20 0 BHADHN CCN(Cc1cccs1)Cc1ccccc1 ZINC000061785368 368570840 /nfs/dbraw/zinc/57/08/40/368570840.db2.gz QUNUXXBOTOGVPP-UHFFFAOYSA-N 0 3 231.364 3.770 20 0 BHADHN CCN(Cc1cccs1)Cc1cccc(F)c1 ZINC000061785469 387787397 /nfs/dbraw/zinc/78/73/97/387787397.db2.gz HWMYGEKTWQXOHY-UHFFFAOYSA-N 0 3 249.354 3.909 20 0 BHADHN Cc1ccsc1CN(C)Cc1cccc(F)c1 ZINC000061798673 368570415 /nfs/dbraw/zinc/57/04/15/368570415.db2.gz BLWVALZLWDZJKY-UHFFFAOYSA-N 0 3 249.354 3.828 20 0 BHADHN Cc1ccsc1CN(C)Cc1ccccc1C ZINC000061798678 360680872 /nfs/dbraw/zinc/68/08/72/360680872.db2.gz IQPWIRIYJZSVIB-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CC1CCC(N(C)Cc2ccccc2F)CC1 ZINC000061799025 168160297 /nfs/dbraw/zinc/16/02/97/168160297.db2.gz MZIRJLVUPCFASM-UHFFFAOYSA-N 0 3 235.346 3.836 20 0 BHADHN Cc1ccc(CN(C)Cc2ccsc2)cc1 ZINC000061800421 324108574 /nfs/dbraw/zinc/10/85/74/324108574.db2.gz VSSVTBNWZYPWRU-UHFFFAOYSA-N 0 3 231.364 3.689 20 0 BHADHN Cc1ccc(C)c(CN(C)Cc2ccsc2)c1 ZINC000061800525 368571449 /nfs/dbraw/zinc/57/14/49/368571449.db2.gz GHOLPDXJPNLYBU-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN Cc1ccccc1CN(C)Cc1ccsc1 ZINC000061800530 368571306 /nfs/dbraw/zinc/57/13/06/368571306.db2.gz QOZAPDQACGZSQZ-UHFFFAOYSA-N 0 3 231.364 3.689 20 0 BHADHN CC(C)CNCc1ncc(-c2ccccc2)s1 ZINC000061800963 535169447 /nfs/dbraw/zinc/16/94/47/535169447.db2.gz XLCUZQBXGFREMW-UHFFFAOYSA-N 0 3 246.379 3.556 20 0 BHADHN CN(C)Cc1cccc(NCCC(C)(C)C)c1 ZINC000061839246 384753984 /nfs/dbraw/zinc/75/39/84/384753984.db2.gz HIRPGQAWGXMBSA-UHFFFAOYSA-N 0 3 234.387 3.596 20 0 BHADHN CC[C@H](NCc1ccc(C)nc1)c1cccs1 ZINC000062050725 398110175 /nfs/dbraw/zinc/11/01/75/398110175.db2.gz NEOXPSGFTOPHHQ-ZDUSSCGKSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1ccc(C)nc1)c1cccs1 ZINC000062050727 398110642 /nfs/dbraw/zinc/11/06/42/398110642.db2.gz NEOXPSGFTOPHHQ-CYBMUJFWSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@H](NCc1ccc(C)nc1)c1ccccc1 ZINC000062050895 385150831 /nfs/dbraw/zinc/15/08/31/385150831.db2.gz GSRDFDPNSZUFTO-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1ccc(C)nc1)c1ccccc1 ZINC000062050896 343732446 /nfs/dbraw/zinc/73/24/46/343732446.db2.gz GSRDFDPNSZUFTO-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN Cc1ccc(CN[C@H](C)c2ccccc2C)cn1 ZINC000062051042 385152080 /nfs/dbraw/zinc/15/20/80/385152080.db2.gz UEKBQZHHXSSQMZ-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2ccccc2C)cn1 ZINC000062051043 385152486 /nfs/dbraw/zinc/15/24/86/385152486.db2.gz UEKBQZHHXSSQMZ-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccc(C)nc2)cc1 ZINC000062051077 385151756 /nfs/dbraw/zinc/15/17/56/385151756.db2.gz RWALLWLHRJSACN-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccc(C)nc2)cc1 ZINC000062051078 385150046 /nfs/dbraw/zinc/15/00/46/385150046.db2.gz RWALLWLHRJSACN-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccc(C)nc2)s1 ZINC000062051162 385151475 /nfs/dbraw/zinc/15/14/75/385151475.db2.gz ZBPPKLWRRSVHOT-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccc(C)nc2)s1 ZINC000062051163 385152407 /nfs/dbraw/zinc/15/24/07/385152407.db2.gz ZBPPKLWRRSVHOT-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cccc([C@@H](C)NCc2ccc(C)nc2)c1 ZINC000062051319 179182696 /nfs/dbraw/zinc/18/26/96/179182696.db2.gz UHBVGMWFSYDERF-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc([C@H](C)NCc2ccc(C)nc2)c1 ZINC000062051320 179196249 /nfs/dbraw/zinc/19/62/49/179196249.db2.gz UHBVGMWFSYDERF-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(CNc2ccnc3ccccc32)cn1 ZINC000062054817 386563291 /nfs/dbraw/zinc/56/32/91/386563291.db2.gz HCCOTXMFFNRGDY-UHFFFAOYSA-N 0 3 249.317 3.550 20 0 BHADHN CC(C)CCC[C@@H](C)NCc1ccoc1 ZINC000062103278 386565914 /nfs/dbraw/zinc/56/59/14/386565914.db2.gz YTRZZVLFPOGTSC-GFCCVEGCSA-N 0 3 209.333 3.584 20 0 BHADHN CC(C)CCC[C@H](C)NCc1ccoc1 ZINC000062103279 386565528 /nfs/dbraw/zinc/56/55/28/386565528.db2.gz YTRZZVLFPOGTSC-LBPRGKRZSA-N 0 3 209.333 3.584 20 0 BHADHN CC[C@H](NCc1ccoc1)c1ccc(C)cc1 ZINC000062103366 385158007 /nfs/dbraw/zinc/15/80/07/385158007.db2.gz VRNGLBCQOPHGEL-HNNXBMFYSA-N 0 3 229.323 3.829 20 0 BHADHN CC[C@@H](NCc1ccoc1)c1ccc(C)cc1 ZINC000062103367 343733188 /nfs/dbraw/zinc/73/31/88/343733188.db2.gz VRNGLBCQOPHGEL-OAHLLOKOSA-N 0 3 229.323 3.829 20 0 BHADHN CCC[C@H](NCc1ccoc1)c1ccccc1 ZINC000062103406 385157424 /nfs/dbraw/zinc/15/74/24/385157424.db2.gz WKVGZWWNBXXUJI-HNNXBMFYSA-N 0 3 229.323 3.911 20 0 BHADHN CCC[C@@H](NCc1ccoc1)c1ccccc1 ZINC000062103407 385158126 /nfs/dbraw/zinc/15/81/26/385158126.db2.gz WKVGZWWNBXXUJI-OAHLLOKOSA-N 0 3 229.323 3.911 20 0 BHADHN CC(C)[C@H](NCc1ccoc1)c1ccccc1 ZINC000062103468 191000863 /nfs/dbraw/zinc/00/08/63/191000863.db2.gz QICZSUJQEDMYPR-HNNXBMFYSA-N 0 3 229.323 3.767 20 0 BHADHN CC(C)[C@@H](NCc1ccoc1)c1ccccc1 ZINC000062103469 385157841 /nfs/dbraw/zinc/15/78/41/385157841.db2.gz QICZSUJQEDMYPR-OAHLLOKOSA-N 0 3 229.323 3.767 20 0 BHADHN CC(C)[C@H](NCc1ccoc1)c1ccc(F)cc1 ZINC000062103470 641022272 /nfs/dbraw/zinc/02/22/72/641022272.db2.gz XLDXRZHPVHKRHX-HNNXBMFYSA-N 0 3 247.313 3.906 20 0 BHADHN CC(C)[C@@H](NCc1ccoc1)c1ccc(F)cc1 ZINC000062103471 641021461 /nfs/dbraw/zinc/02/14/61/641021461.db2.gz XLDXRZHPVHKRHX-OAHLLOKOSA-N 0 3 247.313 3.906 20 0 BHADHN c1cc(CN[C@@H](c2ccccc2)C2CC2)co1 ZINC000062103500 183430406 /nfs/dbraw/zinc/43/04/06/183430406.db2.gz ZSHMZRPYJKHBDT-HNNXBMFYSA-N 0 3 227.307 3.521 20 0 BHADHN c1cc(CN[C@H](c2ccccc2)C2CC2)co1 ZINC000062103501 385157471 /nfs/dbraw/zinc/15/74/71/385157471.db2.gz ZSHMZRPYJKHBDT-OAHLLOKOSA-N 0 3 227.307 3.521 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccoc2)c(C)c1 ZINC000062103694 385158725 /nfs/dbraw/zinc/15/87/25/385158725.db2.gz QCTQFYQWHQYDGC-CYBMUJFWSA-N 0 3 229.323 3.747 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccoc2)c(C)c1 ZINC000062103695 385157371 /nfs/dbraw/zinc/15/73/71/385157371.db2.gz QCTQFYQWHQYDGC-ZDUSSCGKSA-N 0 3 229.323 3.747 20 0 BHADHN C[C@@H](Cc1ccc(Cl)cc1)NCc1ccoc1 ZINC000062103780 387849943 /nfs/dbraw/zinc/84/99/43/387849943.db2.gz QAVOTZHUSJGKHH-NSHDSACASA-N 0 3 249.741 3.654 20 0 BHADHN C[C@H](Cc1ccc(Cl)cc1)NCc1ccoc1 ZINC000062103781 387849632 /nfs/dbraw/zinc/84/96/32/387849632.db2.gz QAVOTZHUSJGKHH-LLVKDONJSA-N 0 3 249.741 3.654 20 0 BHADHN CC[C@H](NCc1ccoc1)c1cccs1 ZINC000062103783 323982905 /nfs/dbraw/zinc/98/29/05/323982905.db2.gz PLSWSWBEZRPRGX-NSHDSACASA-N 0 3 221.325 3.582 20 0 BHADHN CC[C@@H](NCc1ccoc1)c1cccs1 ZINC000062103784 323982614 /nfs/dbraw/zinc/98/26/14/323982614.db2.gz PLSWSWBEZRPRGX-LLVKDONJSA-N 0 3 221.325 3.582 20 0 BHADHN C[C@@H](Cc1cccc(Cl)c1)NCc1ccoc1 ZINC000062103811 387849387 /nfs/dbraw/zinc/84/93/87/387849387.db2.gz ZIIAHFARMWLTAF-NSHDSACASA-N 0 3 249.741 3.654 20 0 BHADHN C[C@H](Cc1cccc(Cl)c1)NCc1ccoc1 ZINC000062103812 387850615 /nfs/dbraw/zinc/85/06/15/387850615.db2.gz ZIIAHFARMWLTAF-LLVKDONJSA-N 0 3 249.741 3.654 20 0 BHADHN CC[C@H](NCc1ccoc1)c1ccccc1 ZINC000062103842 385157726 /nfs/dbraw/zinc/15/77/26/385157726.db2.gz LVFRNLHKHXSQHO-AWEZNQCLSA-N 0 3 215.296 3.521 20 0 BHADHN CC[C@@H](NCc1ccoc1)c1ccccc1 ZINC000062103843 343733312 /nfs/dbraw/zinc/73/33/12/343733312.db2.gz LVFRNLHKHXSQHO-CQSZACIVSA-N 0 3 215.296 3.521 20 0 BHADHN C[C@@H](CCNCc1ccoc1)c1ccccc1 ZINC000062103856 323982657 /nfs/dbraw/zinc/98/26/57/323982657.db2.gz NESZMLPVYTXVCQ-ZDUSSCGKSA-N 0 3 229.323 3.563 20 0 BHADHN C[C@H](CCNCc1ccoc1)c1ccccc1 ZINC000062103857 323982571 /nfs/dbraw/zinc/98/25/71/323982571.db2.gz NESZMLPVYTXVCQ-CYBMUJFWSA-N 0 3 229.323 3.563 20 0 BHADHN Cc1cc(C)c(CNCc2ccsc2)cc1C ZINC000062103886 631686003 /nfs/dbraw/zinc/68/60/03/631686003.db2.gz OAOPTFKXHGOTRN-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1cccc(CNCc2ccsc2)c1C ZINC000062103911 179095049 /nfs/dbraw/zinc/09/50/49/179095049.db2.gz RDEYBUOFHTYEAS-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1ccc(CNCc2ccsc2)cc1C ZINC000062103912 385158332 /nfs/dbraw/zinc/15/83/32/385158332.db2.gz SITOUWGQYMAOJR-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN CCc1ccc(CNCc2ccsc2)s1 ZINC000062103936 386567405 /nfs/dbraw/zinc/56/74/05/386567405.db2.gz KNYOYBUFDFRAER-UHFFFAOYSA-N 0 3 237.393 3.662 20 0 BHADHN CC(C)CCCNCc1cc(F)c(F)c(F)c1 ZINC000062708251 384757858 /nfs/dbraw/zinc/75/78/58/384757858.db2.gz UPVTXSTWAMLXBB-UHFFFAOYSA-N 0 3 245.288 3.630 20 0 BHADHN CCN[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000062786400 384758492 /nfs/dbraw/zinc/75/84/92/384758492.db2.gz BVMQQDTUPUHMHN-GFCCVEGCSA-N 0 3 229.726 3.786 20 0 BHADHN CCN[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000062786401 384760225 /nfs/dbraw/zinc/76/02/25/384760225.db2.gz BVMQQDTUPUHMHN-LBPRGKRZSA-N 0 3 229.726 3.786 20 0 BHADHN Cc1ccc(CNCc2ccccc2)cc1Cl ZINC000063021642 323089302 /nfs/dbraw/zinc/08/93/02/323089302.db2.gz ZDWQQVJKWRRBJU-UHFFFAOYSA-N 0 3 245.753 3.938 20 0 BHADHN Cc1ccc([C@@H](C)NCCC(F)(F)F)c(C)c1 ZINC000063098638 323099064 /nfs/dbraw/zinc/09/90/64/323099064.db2.gz LPBSDFRLTMDYOT-LLVKDONJSA-N 0 3 245.288 3.906 20 0 BHADHN Cc1ccc([C@H](C)NCCC(F)(F)F)c(C)c1 ZINC000063098639 323099020 /nfs/dbraw/zinc/09/90/20/323099020.db2.gz LPBSDFRLTMDYOT-NSHDSACASA-N 0 3 245.288 3.906 20 0 BHADHN CC[C@H](NCCC(F)(F)F)c1ccccc1 ZINC000063098670 357525584 /nfs/dbraw/zinc/52/55/84/357525584.db2.gz DXFZJVUUKJHFTN-NSHDSACASA-N 0 3 231.261 3.680 20 0 BHADHN CC[C@@H](NCCC(F)(F)F)c1ccccc1 ZINC000063098671 357525378 /nfs/dbraw/zinc/52/53/78/357525378.db2.gz DXFZJVUUKJHFTN-LLVKDONJSA-N 0 3 231.261 3.680 20 0 BHADHN CC[C@H](NCCC(F)(F)F)c1ccc(F)cc1 ZINC000063098674 387267346 /nfs/dbraw/zinc/26/73/46/387267346.db2.gz YLJRUKPONMWARS-NSHDSACASA-N 0 3 249.251 3.819 20 0 BHADHN CC[C@@H](NCCC(F)(F)F)c1ccc(F)cc1 ZINC000063098675 387266750 /nfs/dbraw/zinc/26/67/50/387266750.db2.gz YLJRUKPONMWARS-LLVKDONJSA-N 0 3 249.251 3.819 20 0 BHADHN Cc1ccc([C@@H](C)NCCC(F)(F)F)cc1C ZINC000063098704 323098918 /nfs/dbraw/zinc/09/89/18/323098918.db2.gz GOSBDYPIDWJOED-LLVKDONJSA-N 0 3 245.288 3.906 20 0 BHADHN Cc1ccc([C@H](C)NCCC(F)(F)F)cc1C ZINC000063098705 323098975 /nfs/dbraw/zinc/09/89/75/323098975.db2.gz GOSBDYPIDWJOED-NSHDSACASA-N 0 3 245.288 3.906 20 0 BHADHN Cc1ccc([C@@H](C)NCCC(F)(F)F)cc1 ZINC000063098762 385208552 /nfs/dbraw/zinc/20/85/52/385208552.db2.gz WQEBMDMORHYRLT-SNVBAGLBSA-N 0 3 231.261 3.598 20 0 BHADHN Cc1ccc([C@H](C)NCCC(F)(F)F)cc1 ZINC000063098763 385209035 /nfs/dbraw/zinc/20/90/35/385209035.db2.gz WQEBMDMORHYRLT-JTQLQIEISA-N 0 3 231.261 3.598 20 0 BHADHN Cc1cc(C)c(CNCCC(F)(F)F)c(C)c1 ZINC000063098773 323098984 /nfs/dbraw/zinc/09/89/84/323098984.db2.gz ROOIQPRNXJRGBC-UHFFFAOYSA-N 0 3 245.288 3.654 20 0 BHADHN CC(C)c1ccc(CNCCC(F)(F)F)cc1 ZINC000063099060 323099000 /nfs/dbraw/zinc/09/90/00/323099000.db2.gz FQSHXXMWZQKVJJ-UHFFFAOYSA-N 0 3 245.288 3.852 20 0 BHADHN Cc1ccc([C@@H](C)NCCC(F)(F)F)s1 ZINC000063099144 350571164 /nfs/dbraw/zinc/57/11/64/350571164.db2.gz AVWGRCGOUZPSJH-MRVPVSSYSA-N 0 3 237.290 3.660 20 0 BHADHN Cc1ccc([C@H](C)NCCC(F)(F)F)s1 ZINC000063099145 350570995 /nfs/dbraw/zinc/57/09/95/350570995.db2.gz AVWGRCGOUZPSJH-QMMMGPOBSA-N 0 3 237.290 3.660 20 0 BHADHN CC[C@H](NCCC(F)(F)F)c1cccs1 ZINC000063099214 323099104 /nfs/dbraw/zinc/09/91/04/323099104.db2.gz IODQGUHUDXOBMK-QMMMGPOBSA-N 0 3 237.290 3.741 20 0 BHADHN CC[C@@H](NCCC(F)(F)F)c1cccs1 ZINC000063099215 323099102 /nfs/dbraw/zinc/09/91/02/323099102.db2.gz IODQGUHUDXOBMK-MRVPVSSYSA-N 0 3 237.290 3.741 20 0 BHADHN Cc1cccc([C@@H](C)NCCC(F)(F)F)c1 ZINC000063099537 323099023 /nfs/dbraw/zinc/09/90/23/323099023.db2.gz QCLNQKSLRMCJLO-SNVBAGLBSA-N 0 3 231.261 3.598 20 0 BHADHN Cc1cccc([C@H](C)NCCC(F)(F)F)c1 ZINC000063099538 323099070 /nfs/dbraw/zinc/09/90/70/323099070.db2.gz QCLNQKSLRMCJLO-JTQLQIEISA-N 0 3 231.261 3.598 20 0 BHADHN Cc1cc(C)c(CNCCC(F)(F)F)cc1C ZINC000063099549 518186656 /nfs/dbraw/zinc/18/66/56/518186656.db2.gz LKMWLSQKJYIFOU-UHFFFAOYSA-N 0 3 245.288 3.654 20 0 BHADHN FC(F)(F)CCN[C@@H]1CCCc2sccc21 ZINC000063099675 357525801 /nfs/dbraw/zinc/52/58/01/357525801.db2.gz ZSCNMYFYITXGFF-SECBINFHSA-N 0 3 249.301 3.668 20 0 BHADHN FC(F)(F)CCN[C@H]1CCCc2sccc21 ZINC000063099676 357526088 /nfs/dbraw/zinc/52/60/88/357526088.db2.gz ZSCNMYFYITXGFF-VIFPVBQESA-N 0 3 249.301 3.668 20 0 BHADHN FC(F)(F)CCN[C@@H](c1ccccc1)C1CC1 ZINC000063099707 385208601 /nfs/dbraw/zinc/20/86/01/385208601.db2.gz CHECPOYOVOFLKM-LBPRGKRZSA-N 0 3 243.272 3.680 20 0 BHADHN FC(F)(F)CCN[C@H](c1ccccc1)C1CC1 ZINC000063099708 385207160 /nfs/dbraw/zinc/20/71/60/385207160.db2.gz CHECPOYOVOFLKM-GFCCVEGCSA-N 0 3 243.272 3.680 20 0 BHADHN FC(F)(F)CCN[C@@H](c1cccs1)C1CC1 ZINC000063099783 323099030 /nfs/dbraw/zinc/09/90/30/323099030.db2.gz FFVDUSHJXAODSI-SNVBAGLBSA-N 0 3 249.301 3.741 20 0 BHADHN FC(F)(F)CCN[C@H](c1cccs1)C1CC1 ZINC000063099784 323099075 /nfs/dbraw/zinc/09/90/75/323099075.db2.gz FFVDUSHJXAODSI-JTQLQIEISA-N 0 3 249.301 3.741 20 0 BHADHN FC(F)(F)CCNc1ccnc2ccccc21 ZINC000063100500 357525471 /nfs/dbraw/zinc/52/54/71/357525471.db2.gz YTDBMEFJKFGKTI-UHFFFAOYSA-N 0 3 240.228 3.599 20 0 BHADHN Cc1cccc([C@@H](C)NCc2ccsc2)c1 ZINC000063152450 179183121 /nfs/dbraw/zinc/18/31/21/179183121.db2.gz PEJURYGQVOLSEH-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1cccc([C@H](C)NCc2ccsc2)c1 ZINC000063152451 179196735 /nfs/dbraw/zinc/19/67/35/179196735.db2.gz PEJURYGQVOLSEH-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN CCc1ccccc1CNCc1ccsc1 ZINC000063152526 385214517 /nfs/dbraw/zinc/21/45/17/385214517.db2.gz ZXWOWOURXGCUDG-UHFFFAOYSA-N 0 3 231.364 3.600 20 0 BHADHN Cc1cc(CNCc2ccsc2)c(C)s1 ZINC000063152584 323114224 /nfs/dbraw/zinc/11/42/24/323114224.db2.gz TVWJPSQSEVMTQL-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN c1cc(CNc2ccnc3ccccc32)cs1 ZINC000063153115 357548664 /nfs/dbraw/zinc/54/86/64/357548664.db2.gz IEFPKGBQFNPMQI-UHFFFAOYSA-N 0 3 240.331 3.908 20 0 BHADHN C[C@@H]1CCCN(Cc2cccc(F)c2F)CC1 ZINC000063308503 368582980 /nfs/dbraw/zinc/58/29/80/368582980.db2.gz RZLUXFISOWUFGS-LLVKDONJSA-N 0 3 239.309 3.587 20 0 BHADHN C[C@H]1CCCN(Cc2cccc(Cl)c2)CC1 ZINC000063308941 368582882 /nfs/dbraw/zinc/58/28/82/368582882.db2.gz ARFUZDBKOZEFCJ-LBPRGKRZSA-N 0 3 237.774 3.962 20 0 BHADHN C[C@H]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000063309355 368582476 /nfs/dbraw/zinc/58/24/76/368582476.db2.gz GMZGZVOERRVMLF-LBPRGKRZSA-N 0 3 237.774 3.962 20 0 BHADHN C[C@H]1CCCN(Cc2ccccc2Cl)CC1 ZINC000063309356 368582957 /nfs/dbraw/zinc/58/29/57/368582957.db2.gz NOYKTPVYKSXYPY-LBPRGKRZSA-N 0 3 237.774 3.962 20 0 BHADHN Cc1cccc(C(C)(C)CNCc2ccco2)c1 ZINC000063320108 343751274 /nfs/dbraw/zinc/75/12/74/343751274.db2.gz VWIBRMFZXKYYPP-UHFFFAOYSA-N 0 3 243.350 3.655 20 0 BHADHN C#CCN([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000063577209 642314124 /nfs/dbraw/zinc/31/41/24/642314124.db2.gz LXOAVQRWULAODY-AWEZNQCLSA-N 0 3 249.357 3.998 20 0 BHADHN CC(C)[C@@H]1CCCN1Cc1cccc(F)c1F ZINC000063618712 360789327 /nfs/dbraw/zinc/78/93/27/360789327.db2.gz QFYPCHXELBUMBU-ZDUSSCGKSA-N 0 3 239.309 3.585 20 0 BHADHN CCCN(Cc1ccccc1Cl)C1CC1 ZINC000063741884 368595272 /nfs/dbraw/zinc/59/52/72/368595272.db2.gz NUYRCQPPENXCJO-UHFFFAOYSA-N 0 3 223.747 3.714 20 0 BHADHN CC[C@H](c1ccccc1)N(C)Cc1ccco1 ZINC000063742580 368595285 /nfs/dbraw/zinc/59/52/85/368595285.db2.gz HEOZLLNGFCBPCE-OAHLLOKOSA-N 0 3 229.323 3.863 20 0 BHADHN CCCCN(CCC)Cc1ccccc1F ZINC000063755110 356423771 /nfs/dbraw/zinc/42/37/71/356423771.db2.gz TYPROHXOJXIYSR-UHFFFAOYSA-N 0 3 223.335 3.838 20 0 BHADHN CN(CCc1cccs1)Cc1ccccc1F ZINC000063755590 323162936 /nfs/dbraw/zinc/16/29/36/323162936.db2.gz OMRJVGYDBKJKPD-UHFFFAOYSA-N 0 3 249.354 3.562 20 0 BHADHN CCCN(C)Cc1c(Cl)ccc2cccnc21 ZINC000063756025 357716848 /nfs/dbraw/zinc/71/68/48/357716848.db2.gz KSXJREOZCJNQAA-UHFFFAOYSA-N 0 3 248.757 3.730 20 0 BHADHN CCN1CC=C(c2cccc3ccccc32)CC1 ZINC000063762315 360870933 /nfs/dbraw/zinc/87/09/33/360870933.db2.gz DLDXRUHMEGKWHO-UHFFFAOYSA-N 0 3 237.346 3.949 20 0 BHADHN CN(Cc1cccc(F)c1F)CC1CCCC1 ZINC000064020826 368600708 /nfs/dbraw/zinc/60/07/08/368600708.db2.gz YRFZLKLAXZDCFO-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN CN(CCCc1ccccc1)CCC(F)(F)F ZINC000064634995 368609934 /nfs/dbraw/zinc/60/99/34/368609934.db2.gz RMMQRIHSSKEOPG-UHFFFAOYSA-N 0 3 245.288 3.503 20 0 BHADHN CN(Cc1ccccc1Cl)C(C1CC1)C1CC1 ZINC000065243544 368619838 /nfs/dbraw/zinc/61/98/38/368619838.db2.gz PDLQJGGDQZHNKC-UHFFFAOYSA-N 0 3 249.785 3.960 20 0 BHADHN CC(C)(NCc1ccc(F)cc1)c1ccccc1 ZINC000065275117 342967887 /nfs/dbraw/zinc/96/78/87/342967887.db2.gz OVBNAIYONWGYHU-UHFFFAOYSA-N 0 3 243.325 3.851 20 0 BHADHN CC(C)(NCc1cccc(F)c1)c1ccccc1 ZINC000065275131 360996280 /nfs/dbraw/zinc/99/62/80/360996280.db2.gz FJAGWKSBCYOUOG-UHFFFAOYSA-N 0 3 243.325 3.851 20 0 BHADHN c1csc(CNC2(c3ccccc3)CCC2)c1 ZINC000065275659 388688960 /nfs/dbraw/zinc/68/89/60/388688960.db2.gz CVFWZJOMZXGEPX-UHFFFAOYSA-N 0 3 243.375 3.917 20 0 BHADHN c1cc(CNC2(c3ccccc3)CCC2)cs1 ZINC000065275666 183389027 /nfs/dbraw/zinc/38/90/27/183389027.db2.gz JNWNFBNNDNFFEZ-UHFFFAOYSA-N 0 3 243.375 3.917 20 0 BHADHN c1ccc(CNC2(c3ccccc3)CCC2)cc1 ZINC000065275670 361372867 /nfs/dbraw/zinc/37/28/67/361372867.db2.gz XMLGWAVLAKGLFC-UHFFFAOYSA-N 0 3 237.346 3.856 20 0 BHADHN CCN(Cc1cccc(F)c1F)[C@@H](C)C(C)C ZINC000065298979 343062765 /nfs/dbraw/zinc/06/27/65/343062765.db2.gz IHKNHDFEUFNDQT-NSHDSACASA-N 0 3 241.325 3.831 20 0 BHADHN CCN(Cc1nc2ccccc2o1)[C@@H](C)C(C)C ZINC000065299540 384794347 /nfs/dbraw/zinc/79/43/47/384794347.db2.gz SPHFJTRUZIQHMN-LBPRGKRZSA-N 0 3 246.354 3.694 20 0 BHADHN CCc1nc(CN(CC)[C@@H](C)C(C)C)cs1 ZINC000065299579 358958054 /nfs/dbraw/zinc/95/80/54/358958054.db2.gz DNSYAHZBUMZXNU-NSHDSACASA-N 0 3 240.416 3.572 20 0 BHADHN CCCCN(Cc1ccsc1)C1CC1 ZINC000065300289 368621194 /nfs/dbraw/zinc/62/11/94/368621194.db2.gz HCWGHHADQLWVPC-UHFFFAOYSA-N 0 3 209.358 3.513 20 0 BHADHN Cc1ccc(CNCCc2ccc(C)cc2C)o1 ZINC000065431624 324691405 /nfs/dbraw/zinc/69/14/05/324691405.db2.gz UKGCKSWAOJLZGH-UHFFFAOYSA-N 0 3 243.350 3.537 20 0 BHADHN Cc1occc1CN(C)CC1CCCCC1 ZINC000065603051 368625821 /nfs/dbraw/zinc/62/58/21/368625821.db2.gz RURIABZXSWBMPI-UHFFFAOYSA-N 0 3 221.344 3.600 20 0 BHADHN c1cc(CN(Cc2ccccc2)C2CC2)cs1 ZINC000065684133 368626995 /nfs/dbraw/zinc/62/69/95/368626995.db2.gz VYJSOBSNBSGFBA-UHFFFAOYSA-N 0 3 243.375 3.913 20 0 BHADHN Cc1ccsc1CNCc1cc(C)cc(C)c1 ZINC000065933724 324723012 /nfs/dbraw/zinc/72/30/12/324723012.db2.gz AKRZVLSGLQGCCZ-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN CCN(CCOC(C)(C)C)Cc1ccccc1C ZINC000065950392 368637264 /nfs/dbraw/zinc/63/72/64/368637264.db2.gz QVONQYHKNLFRLS-UHFFFAOYSA-N 0 3 249.398 3.632 20 0 BHADHN Cc1ccc([C@@H](C)N(C)CCOC(C)(C)C)cc1 ZINC000065950638 343836790 /nfs/dbraw/zinc/83/67/90/343836790.db2.gz MTGGOWQKPQHLQZ-CQSZACIVSA-N 0 3 249.398 3.803 20 0 BHADHN CC(C)CN(C)Cc1ccccc1OC(C)C ZINC000065960979 361085010 /nfs/dbraw/zinc/08/50/10/361085010.db2.gz DCKSPQZCMSYVQE-UHFFFAOYSA-N 0 3 235.371 3.562 20 0 BHADHN CC(C)CN(C)Cc1ccc(F)cc1Cl ZINC000065962547 368638204 /nfs/dbraw/zinc/63/82/04/368638204.db2.gz QZOVBQZIEUMJOP-UHFFFAOYSA-N 0 3 229.726 3.567 20 0 BHADHN CC[C@@H]1CCCCN1Cc1nc2ccccc2o1 ZINC000066405474 388717542 /nfs/dbraw/zinc/71/75/42/388717542.db2.gz MZYWXBLJOTYFAD-GFCCVEGCSA-N 0 3 244.338 3.592 20 0 BHADHN c1csc(CN(C2CC2)[C@H]2C=CCCC2)c1 ZINC000066492526 398310232 /nfs/dbraw/zinc/31/02/32/398310232.db2.gz VKLNKVUXEFFJPQ-LBPRGKRZSA-N 0 3 233.380 3.821 20 0 BHADHN c1csc(CN(C2CC2)[C@@H]2C=CCCC2)c1 ZINC000066492528 398310224 /nfs/dbraw/zinc/31/02/24/398310224.db2.gz VKLNKVUXEFFJPQ-GFCCVEGCSA-N 0 3 233.380 3.821 20 0 BHADHN Cc1ccc(CN(C)[C@H]2C=CCCC2)s1 ZINC000066498359 370585076 /nfs/dbraw/zinc/58/50/76/370585076.db2.gz XIBNDBSLNDOJKN-LBPRGKRZSA-N 0 3 221.369 3.597 20 0 BHADHN Cc1ccc(CN(C)[C@@H]2C=CCCC2)s1 ZINC000066498360 370584920 /nfs/dbraw/zinc/58/49/20/370584920.db2.gz XIBNDBSLNDOJKN-GFCCVEGCSA-N 0 3 221.369 3.597 20 0 BHADHN COc1ccccc1C(C)(C)N[C@H]1C=CCCC1 ZINC000066532589 324757816 /nfs/dbraw/zinc/75/78/16/324757816.db2.gz KQZXPAKDCLKGHW-ZDUSSCGKSA-N 0 3 245.366 3.629 20 0 BHADHN COc1ccccc1C(C)(C)N[C@@H]1C=CCCC1 ZINC000066532592 324757503 /nfs/dbraw/zinc/75/75/03/324757503.db2.gz KQZXPAKDCLKGHW-CYBMUJFWSA-N 0 3 245.366 3.629 20 0 BHADHN c1cc2c(s1)CCCN([C@H]1C=CCCC1)C2 ZINC000066539757 370586190 /nfs/dbraw/zinc/58/61/90/370586190.db2.gz FXEQNIODGKDCQF-ZDUSSCGKSA-N 0 3 233.380 3.605 20 0 BHADHN c1cc2c(s1)CCCN([C@@H]1C=CCCC1)C2 ZINC000066539760 370586572 /nfs/dbraw/zinc/58/65/72/370586572.db2.gz FXEQNIODGKDCQF-CYBMUJFWSA-N 0 3 233.380 3.605 20 0 BHADHN CCCN(C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066541401 169087109 /nfs/dbraw/zinc/08/71/09/169087109.db2.gz MGVNUXDDXYDFOE-INIZCTEOSA-N 0 3 240.350 3.513 20 0 BHADHN CCCN(C)[C@H](c1ccccc1)c1ccccn1 ZINC000066541403 169088217 /nfs/dbraw/zinc/08/82/17/169088217.db2.gz MGVNUXDDXYDFOE-MRXNPFEDSA-N 0 3 240.350 3.513 20 0 BHADHN CCc1ccc(CNCc2ccoc2C)s1 ZINC000066587084 368653798 /nfs/dbraw/zinc/65/37/98/368653798.db2.gz TXPWCTDZYYKTTF-UHFFFAOYSA-N 0 3 235.352 3.502 20 0 BHADHN Cc1occc1CNCc1c(C)cc(C)cc1C ZINC000067218024 368681335 /nfs/dbraw/zinc/68/13/35/368681335.db2.gz PESGMJUAYUHFPV-UHFFFAOYSA-N 0 3 243.350 3.803 20 0 BHADHN Cc1occc1CNCc1cc(C)c(C)cc1C ZINC000067218164 343890675 /nfs/dbraw/zinc/89/06/75/343890675.db2.gz PHKGAVHHZWDFIM-UHFFFAOYSA-N 0 3 243.350 3.803 20 0 BHADHN CCN(Cc1nc2ccccc2o1)[C@H](C)C(C)C ZINC000067661280 388737973 /nfs/dbraw/zinc/73/79/73/388737973.db2.gz SPHFJTRUZIQHMN-GFCCVEGCSA-N 0 3 246.354 3.694 20 0 BHADHN CCc1nc(CN(CC)[C@H](C)C(C)C)cs1 ZINC000067661289 387097912 /nfs/dbraw/zinc/09/79/12/387097912.db2.gz DNSYAHZBUMZXNU-LLVKDONJSA-N 0 3 240.416 3.572 20 0 BHADHN C[C@@H](c1cccs1)N(C)CCOC(C)(C)C ZINC000067716678 388738751 /nfs/dbraw/zinc/73/87/51/388738751.db2.gz FWICEJRNIATMON-NSHDSACASA-N 0 3 241.400 3.556 20 0 BHADHN C[C@H](c1cccs1)N(C)CCOC(C)(C)C ZINC000067716679 388738513 /nfs/dbraw/zinc/73/85/13/388738513.db2.gz FWICEJRNIATMON-LLVKDONJSA-N 0 3 241.400 3.556 20 0 BHADHN CC[C@@H](C)N(C)Cc1nc2ccccc2s1 ZINC000068449653 383994673 /nfs/dbraw/zinc/99/46/73/383994673.db2.gz SMZUSPVAHPOEQW-SNVBAGLBSA-N 0 3 234.368 3.527 20 0 BHADHN CC[C@H](C)N(C)Cc1nc2ccccc2s1 ZINC000068449656 171310098 /nfs/dbraw/zinc/31/00/98/171310098.db2.gz SMZUSPVAHPOEQW-JTQLQIEISA-N 0 3 234.368 3.527 20 0 BHADHN Cc1ccc(CNC2(c3ccccc3)CC2)s1 ZINC000068980104 368743609 /nfs/dbraw/zinc/74/36/09/368743609.db2.gz GHUICSSPJSMTOS-UHFFFAOYSA-N 0 3 243.375 3.835 20 0 BHADHN Cc1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000068980178 368743635 /nfs/dbraw/zinc/74/36/35/368743635.db2.gz LCMMDAWXBYFVQX-UHFFFAOYSA-N 0 3 237.346 3.774 20 0 BHADHN c1csc(CNC2(c3ccccc3)CC2)c1 ZINC000068980280 183388687 /nfs/dbraw/zinc/38/86/87/183388687.db2.gz VREDNQFJLHRXJC-UHFFFAOYSA-N 0 3 229.348 3.527 20 0 BHADHN CCCC[C@@H](CC)NCc1nc(C)cs1 ZINC000068986865 343254426 /nfs/dbraw/zinc/25/44/26/343254426.db2.gz KFHUNUPLKNTKQO-LLVKDONJSA-N 0 3 226.389 3.510 20 0 BHADHN CCCC[C@H](CC)NCc1nc(C)cs1 ZINC000068986870 343254502 /nfs/dbraw/zinc/25/45/02/343254502.db2.gz KFHUNUPLKNTKQO-NSHDSACASA-N 0 3 226.389 3.510 20 0 BHADHN CCCC[C@@H](CC)NCc1csc(C)n1 ZINC000068986959 490138070 /nfs/dbraw/zinc/13/80/70/490138070.db2.gz MURBXQQEFYSGDF-LLVKDONJSA-N 0 3 226.389 3.510 20 0 BHADHN CCCC[C@H](CC)NCc1csc(C)n1 ZINC000068986960 490138002 /nfs/dbraw/zinc/13/80/02/490138002.db2.gz MURBXQQEFYSGDF-NSHDSACASA-N 0 3 226.389 3.510 20 0 BHADHN C[C@@H](c1ccco1)N(C)CCCc1ccccc1 ZINC000069067323 388822053 /nfs/dbraw/zinc/82/20/53/388822053.db2.gz QSZAQGSNKBVATG-AWEZNQCLSA-N 0 3 243.350 3.905 20 0 BHADHN C[C@H](c1ccco1)N(C)CCCc1ccccc1 ZINC000069067324 388821389 /nfs/dbraw/zinc/82/13/89/388821389.db2.gz QSZAQGSNKBVATG-CQSZACIVSA-N 0 3 243.350 3.905 20 0 BHADHN Cc1ccccc1CN(C)[C@@H](C)c1ccco1 ZINC000069067443 388823031 /nfs/dbraw/zinc/82/30/31/388823031.db2.gz WWAHFWONNMSWFI-ZDUSSCGKSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1ccccc1CN(C)[C@H](C)c1ccco1 ZINC000069067446 388822101 /nfs/dbraw/zinc/82/21/01/388822101.db2.gz WWAHFWONNMSWFI-CYBMUJFWSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1cccc(CN(C)[C@@H](C)c2ccco2)c1 ZINC000069068131 179068464 /nfs/dbraw/zinc/06/84/64/179068464.db2.gz DCEBVWKPKXIWAL-ZDUSSCGKSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1cccc(CN(C)[C@H](C)c2ccco2)c1 ZINC000069068133 179069863 /nfs/dbraw/zinc/06/98/63/179069863.db2.gz DCEBVWKPKXIWAL-CYBMUJFWSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1ccc(CN(C)[C@@H](C)c2ccco2)cc1 ZINC000069068974 387111756 /nfs/dbraw/zinc/11/17/56/387111756.db2.gz NNQKQSDHRDHQDG-ZDUSSCGKSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1ccc(CN(C)[C@H](C)c2ccco2)cc1 ZINC000069068978 387111958 /nfs/dbraw/zinc/11/19/58/387111958.db2.gz NNQKQSDHRDHQDG-CYBMUJFWSA-N 0 3 229.323 3.781 20 0 BHADHN CC[C@@H](c1ccccc1)N(C)Cc1ccco1 ZINC000069070634 368744833 /nfs/dbraw/zinc/74/48/33/368744833.db2.gz HEOZLLNGFCBPCE-HNNXBMFYSA-N 0 3 229.323 3.863 20 0 BHADHN Cc1cc(CN(CC2CC2)C2CCCCC2)no1 ZINC000069079413 368744414 /nfs/dbraw/zinc/74/44/14/368744414.db2.gz BFRDEBIWOQKBCO-UHFFFAOYSA-N 0 3 248.370 3.528 20 0 BHADHN CCCN(C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000069093105 388824684 /nfs/dbraw/zinc/82/46/84/388824684.db2.gz JVGOQFMPRXUQCU-UHFFFAOYSA-N 0 3 247.382 3.656 20 0 BHADHN CC(C)NCc1ccc(-c2ccco2)cc1F ZINC000069319855 350354110 /nfs/dbraw/zinc/35/41/10/350354110.db2.gz BTCBNKXWRLXRCG-UHFFFAOYSA-N 0 3 233.286 3.584 20 0 BHADHN CSCCN[C@H](C)c1oc2ccccc2c1C ZINC000069430505 388840342 /nfs/dbraw/zinc/84/03/42/388840342.db2.gz RNRSIRQFVMPSNR-LLVKDONJSA-N 0 3 249.379 3.755 20 0 BHADHN CSCCN[C@@H](C)c1oc2ccccc2c1C ZINC000069430509 388840200 /nfs/dbraw/zinc/84/02/00/388840200.db2.gz RNRSIRQFVMPSNR-NSHDSACASA-N 0 3 249.379 3.755 20 0 BHADHN Cc1ccsc1[C@@H](C)NCc1ccccc1 ZINC000069635831 384051753 /nfs/dbraw/zinc/05/17/53/384051753.db2.gz TYXVYEFNRRGOMH-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccsc1[C@H](C)NCc1ccccc1 ZINC000069635832 384051168 /nfs/dbraw/zinc/05/11/68/384051168.db2.gz TYXVYEFNRRGOMH-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccsc1[C@@H](C)NCc1cccs1 ZINC000069636064 384053907 /nfs/dbraw/zinc/05/39/07/384053907.db2.gz NBLQFKDDRXQLQA-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN Cc1ccsc1[C@H](C)NCc1cccs1 ZINC000069636065 384054707 /nfs/dbraw/zinc/05/47/07/384054707.db2.gz NBLQFKDDRXQLQA-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN CCCCOCCN[C@@H](C)c1sccc1C ZINC000069636770 324961796 /nfs/dbraw/zinc/96/17/96/324961796.db2.gz YDMOUJUKODJRNN-LBPRGKRZSA-N 0 3 241.400 3.524 20 0 BHADHN CCCCOCCN[C@H](C)c1sccc1C ZINC000069636773 388853188 /nfs/dbraw/zinc/85/31/88/388853188.db2.gz YDMOUJUKODJRNN-GFCCVEGCSA-N 0 3 241.400 3.524 20 0 BHADHN Cc1ccsc1[C@@H](C)NCCC(F)(F)F ZINC000069637046 388854698 /nfs/dbraw/zinc/85/46/98/388854698.db2.gz HRKHKBYODDHDKF-MRVPVSSYSA-N 0 3 237.290 3.660 20 0 BHADHN Cc1ccsc1[C@H](C)NCCC(F)(F)F ZINC000069637047 324962556 /nfs/dbraw/zinc/96/25/56/324962556.db2.gz HRKHKBYODDHDKF-QMMMGPOBSA-N 0 3 237.290 3.660 20 0 BHADHN Cc1ccsc1[C@@H](C)NCc1ccsc1 ZINC000069637050 343287151 /nfs/dbraw/zinc/28/71/51/343287151.db2.gz DENUFLUNUBBMAC-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN Cc1ccsc1[C@H](C)NCc1ccsc1 ZINC000069637052 343287373 /nfs/dbraw/zinc/28/73/73/343287373.db2.gz DENUFLUNUBBMAC-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN C[C@@H](CC1CC1)NCc1ccccc1Cl ZINC000069662252 388856881 /nfs/dbraw/zinc/85/68/81/388856881.db2.gz GFASWPJKWFCSDO-JTQLQIEISA-N 0 3 223.747 3.618 20 0 BHADHN C[C@H](CC1CC1)NCc1ccccc1Cl ZINC000069662256 324964833 /nfs/dbraw/zinc/96/48/33/324964833.db2.gz GFASWPJKWFCSDO-SNVBAGLBSA-N 0 3 223.747 3.618 20 0 BHADHN C[C@@H](CC1CC1)NCc1c(F)cccc1Cl ZINC000069662709 324067889 /nfs/dbraw/zinc/06/78/89/324067889.db2.gz RWSPMWORNJSWHK-VIFPVBQESA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H](CC1CC1)NCc1c(F)cccc1Cl ZINC000069662714 324067990 /nfs/dbraw/zinc/06/79/90/324067990.db2.gz RWSPMWORNJSWHK-SECBINFHSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H](CC1CC1)NCc1ccc(F)cc1Cl ZINC000069666278 324070827 /nfs/dbraw/zinc/07/08/27/324070827.db2.gz JEMGNAZSPUTKIG-VIFPVBQESA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H](CC1CC1)NCc1ccc(F)cc1Cl ZINC000069666281 324070764 /nfs/dbraw/zinc/07/07/64/324070764.db2.gz JEMGNAZSPUTKIG-SECBINFHSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H]1CC[C@H](NCc2ccc(Cl)o2)[C@H](C)C1 ZINC000069675189 388858061 /nfs/dbraw/zinc/85/80/61/388858061.db2.gz ICTBNCBIKVZVQH-FOGDFJRCSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@@H]1CC[C@@H](NCc2ccc(Cl)o2)[C@H](C)C1 ZINC000069675196 388858649 /nfs/dbraw/zinc/85/86/49/388858649.db2.gz ICTBNCBIKVZVQH-CKYFFXLPSA-N 0 3 241.762 3.847 20 0 BHADHN CCCNCc1cc(Cl)sc1Cl ZINC000069803529 351073357 /nfs/dbraw/zinc/07/33/57/351073357.db2.gz RPSVTNSRLJPOEA-UHFFFAOYSA-N 0 3 224.156 3.555 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H](C)C2CCCC2)cs1 ZINC000069803886 359033404 /nfs/dbraw/zinc/03/34/04/359033404.db2.gz SBSARLXMZXBUSM-VHSXEESVSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@@H](C)C2CCCC2)cs1 ZINC000069803887 359033576 /nfs/dbraw/zinc/03/35/76/359033576.db2.gz SBSARLXMZXBUSM-UWVGGRQHSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@@H](C)N[C@H](C)C2CCCC2)cs1 ZINC000069803889 359034107 /nfs/dbraw/zinc/03/41/07/359034107.db2.gz SBSARLXMZXBUSM-NXEZZACHSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@H](C)C2CCCC2)cs1 ZINC000069803891 359033420 /nfs/dbraw/zinc/03/34/20/359033420.db2.gz SBSARLXMZXBUSM-ZJUUUORDSA-N 0 3 238.400 3.681 20 0 BHADHN C[C@H](NCc1ccc(Cl)o1)C1CCCC1 ZINC000069804000 388867514 /nfs/dbraw/zinc/86/75/14/388867514.db2.gz MFFPVBRJRFREAG-VIFPVBQESA-N 0 3 227.735 3.601 20 0 BHADHN C[C@@H](NCc1ccc(Cl)o1)C1CCCC1 ZINC000069804002 324979550 /nfs/dbraw/zinc/97/95/50/324979550.db2.gz MFFPVBRJRFREAG-SECBINFHSA-N 0 3 227.735 3.601 20 0 BHADHN CCN(Cc1ccc(Cl)s1)CC1CC1 ZINC000070015077 323161424 /nfs/dbraw/zinc/16/14/24/323161424.db2.gz QINMEJUAULRZPZ-UHFFFAOYSA-N 0 3 229.776 3.633 20 0 BHADHN Cc1ccsc1[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000070089890 384076966 /nfs/dbraw/zinc/07/69/66/384076966.db2.gz KZQHQRTWDDVQED-NWDGAFQWSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccsc1[C@H](C)N[C@@H](C)c1ccccn1 ZINC000070089891 384076842 /nfs/dbraw/zinc/07/68/42/384076842.db2.gz KZQHQRTWDDVQED-RYUDHWBXSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccsc1[C@@H](C)N[C@H](C)c1ccccn1 ZINC000070089892 398125239 /nfs/dbraw/zinc/12/52/39/398125239.db2.gz KZQHQRTWDDVQED-VXGBXAGGSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccsc1[C@H](C)N[C@H](C)c1ccccn1 ZINC000070089893 398125562 /nfs/dbraw/zinc/12/55/62/398125562.db2.gz KZQHQRTWDDVQED-NEPJUHHUSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccsc1[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000070089940 398125215 /nfs/dbraw/zinc/12/52/15/398125215.db2.gz DKRJCTULCQBQIA-NWDGAFQWSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccsc1[C@H](C)N[C@@H](C)c1cccnc1 ZINC000070089941 398125457 /nfs/dbraw/zinc/12/54/57/398125457.db2.gz DKRJCTULCQBQIA-RYUDHWBXSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccsc1[C@@H](C)N[C@H](C)c1cccnc1 ZINC000070089942 384078215 /nfs/dbraw/zinc/07/82/15/384078215.db2.gz DKRJCTULCQBQIA-VXGBXAGGSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccsc1[C@H](C)N[C@H](C)c1cccnc1 ZINC000070089943 384077955 /nfs/dbraw/zinc/07/79/55/384077955.db2.gz DKRJCTULCQBQIA-NEPJUHHUSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccsc1[C@@H](C)NCc1ccc(C)nc1 ZINC000070092145 384077923 /nfs/dbraw/zinc/07/79/23/384077923.db2.gz CJLXQHSOZXNGOF-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccsc1[C@H](C)NCc1ccc(C)nc1 ZINC000070092146 384077502 /nfs/dbraw/zinc/07/75/02/384077502.db2.gz CJLXQHSOZXNGOF-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN C[C@@H](CC1CC1)N[C@@H](C)c1ccc(F)cc1F ZINC000070100481 388876162 /nfs/dbraw/zinc/87/61/62/388876162.db2.gz CNKDJPQDDKDROD-UWVGGRQHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](CC1CC1)N[C@@H](C)c1ccc(F)cc1F ZINC000070100482 324994569 /nfs/dbraw/zinc/99/45/69/324994569.db2.gz CNKDJPQDDKDROD-ZJUUUORDSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)CC1CC1)c1ccc(F)cc1F ZINC000070100483 388876644 /nfs/dbraw/zinc/87/66/44/388876644.db2.gz CNKDJPQDDKDROD-VHSXEESVSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](CC1CC1)N[C@H](C)c1ccc(F)cc1F ZINC000070100484 388876611 /nfs/dbraw/zinc/87/66/11/388876611.db2.gz CNKDJPQDDKDROD-NXEZZACHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](CC1CC1)N[C@@H](C)c1c(F)cccc1F ZINC000070100621 323166722 /nfs/dbraw/zinc/16/67/22/323166722.db2.gz YARHSTKSMCOLKC-UWVGGRQHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](CC1CC1)N[C@@H](C)c1c(F)cccc1F ZINC000070100622 323166703 /nfs/dbraw/zinc/16/67/03/323166703.db2.gz YARHSTKSMCOLKC-ZJUUUORDSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)CC1CC1)c1c(F)cccc1F ZINC000070100623 323166691 /nfs/dbraw/zinc/16/66/91/323166691.db2.gz YARHSTKSMCOLKC-VHSXEESVSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](CC1CC1)N[C@H](C)c1c(F)cccc1F ZINC000070100624 323166761 /nfs/dbraw/zinc/16/67/61/323166761.db2.gz YARHSTKSMCOLKC-NXEZZACHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](CC1CC1)N[C@@H](C)c1cc(F)ccc1F ZINC000070101760 323167427 /nfs/dbraw/zinc/16/74/27/323167427.db2.gz QGESYVFDTFFABF-UWVGGRQHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](CC1CC1)N[C@@H](C)c1cc(F)ccc1F ZINC000070101761 323167501 /nfs/dbraw/zinc/16/75/01/323167501.db2.gz QGESYVFDTFFABF-ZJUUUORDSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)CC1CC1)c1cc(F)ccc1F ZINC000070101762 323167409 /nfs/dbraw/zinc/16/74/09/323167409.db2.gz QGESYVFDTFFABF-VHSXEESVSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](CC1CC1)N[C@H](C)c1cc(F)ccc1F ZINC000070101763 323167425 /nfs/dbraw/zinc/16/74/25/323167425.db2.gz QGESYVFDTFFABF-NXEZZACHSA-N 0 3 239.309 3.804 20 0 BHADHN Cc1ccc(CNCc2ccccc2C)cc1F ZINC000070160138 642978007 /nfs/dbraw/zinc/97/80/07/642978007.db2.gz XDRVRFMIINJFGD-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1ccc(CNCc2ccc(C)c(F)c2)cc1 ZINC000070160139 642979257 /nfs/dbraw/zinc/97/92/57/642979257.db2.gz IPNBLWYYFIXKBL-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1cccc(CNCc2ccc(C)c(F)c2)c1 ZINC000070160140 179093682 /nfs/dbraw/zinc/09/36/82/179093682.db2.gz YQRXZCINLJOGTJ-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1ccc(CNCc2ccc(C)c(F)c2)s1 ZINC000070160154 398127608 /nfs/dbraw/zinc/12/76/08/398127608.db2.gz NZMTUYUDVYUJJD-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2ccccc2)cc1F ZINC000070160436 398221668 /nfs/dbraw/zinc/22/16/68/398221668.db2.gz BJGXGKJJUPBXRJ-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccc(CN[C@H](C)c2ccccc2)cc1F ZINC000070160437 398221620 /nfs/dbraw/zinc/22/16/20/398221620.db2.gz BJGXGKJJUPBXRJ-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN CCc1nc(CN[C@@H](C)CCC(C)C)cs1 ZINC000070184767 387121348 /nfs/dbraw/zinc/12/13/48/387121348.db2.gz INBNIXFUQMEZPM-NSHDSACASA-N 0 3 240.416 3.620 20 0 BHADHN CCc1nc(CN[C@H](C)CCC(C)C)cs1 ZINC000070184768 387120792 /nfs/dbraw/zinc/12/07/92/387120792.db2.gz INBNIXFUQMEZPM-LLVKDONJSA-N 0 3 240.416 3.620 20 0 BHADHN CC(C)CC[C@@H](C)NCc1cccc(F)c1F ZINC000070186172 371014059 /nfs/dbraw/zinc/01/40/59/371014059.db2.gz KMVQUDPDFNEYPE-LLVKDONJSA-N 0 3 241.325 3.879 20 0 BHADHN CC(C)CC[C@H](C)NCc1cccc(F)c1F ZINC000070186173 371013813 /nfs/dbraw/zinc/01/38/13/371013813.db2.gz KMVQUDPDFNEYPE-NSHDSACASA-N 0 3 241.325 3.879 20 0 BHADHN C[C@H](NCc1c(F)cccc1F)C1CCCC1 ZINC000070305419 323185056 /nfs/dbraw/zinc/18/50/56/323185056.db2.gz VCQHMICCBHDAJU-JTQLQIEISA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H](NCc1c(F)cccc1F)C1CCCC1 ZINC000070305420 323185050 /nfs/dbraw/zinc/18/50/50/323185050.db2.gz VCQHMICCBHDAJU-SNVBAGLBSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H](NCc1cccc(F)c1F)C1CCCC1 ZINC000070305925 371022602 /nfs/dbraw/zinc/02/26/02/371022602.db2.gz CUAFBWMGVASBNV-JTQLQIEISA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H](NCc1cccc(F)c1F)C1CCCC1 ZINC000070305926 371022459 /nfs/dbraw/zinc/02/24/59/371022459.db2.gz CUAFBWMGVASBNV-SNVBAGLBSA-N 0 3 239.309 3.633 20 0 BHADHN c1csc(CNCc2coc3ccccc23)c1 ZINC000070392055 359052146 /nfs/dbraw/zinc/05/21/46/359052146.db2.gz XPNMFSIBKMFYSB-UHFFFAOYSA-N 0 3 243.331 3.784 20 0 BHADHN c1oc2ccccc2c1CNCc1ccccc1 ZINC000070392061 359052392 /nfs/dbraw/zinc/05/23/92/359052392.db2.gz RYZNXSXPBMYMDB-UHFFFAOYSA-N 0 3 237.302 3.723 20 0 BHADHN CC(C)CCCCCCN[C@@H](C)c1cnccn1 ZINC000070477771 384112056 /nfs/dbraw/zinc/11/20/56/384112056.db2.gz QFRKLVMSYONBBO-AWEZNQCLSA-N 0 3 249.402 3.734 20 0 BHADHN CC(C)CCCCCCN[C@H](C)c1cnccn1 ZINC000070477772 384110795 /nfs/dbraw/zinc/11/07/95/384110795.db2.gz QFRKLVMSYONBBO-CQSZACIVSA-N 0 3 249.402 3.734 20 0 BHADHN C[C@@H]1CCC[C@H](CCNCc2ccco2)C1 ZINC000070532089 325015104 /nfs/dbraw/zinc/01/51/04/325015104.db2.gz FXNMBHQREJOINC-CHWSQXEVSA-N 0 3 221.344 3.586 20 0 BHADHN C[C@H]1CCC[C@H](CCNCc2ccco2)C1 ZINC000070532090 325015002 /nfs/dbraw/zinc/01/50/02/325015002.db2.gz FXNMBHQREJOINC-QWHCGFSZSA-N 0 3 221.344 3.586 20 0 BHADHN C[C@@H]1CCC[C@@H](CCNCc2ccco2)C1 ZINC000070532091 323196556 /nfs/dbraw/zinc/19/65/56/323196556.db2.gz FXNMBHQREJOINC-OLZOCXBDSA-N 0 3 221.344 3.586 20 0 BHADHN C[C@H]1CCC[C@@H](CCNCc2ccco2)C1 ZINC000070532092 323196567 /nfs/dbraw/zinc/19/65/67/323196567.db2.gz FXNMBHQREJOINC-STQMWFEESA-N 0 3 221.344 3.586 20 0 BHADHN Cc1ccc(CNCC[C@@H]2CCC[C@H](C)C2)o1 ZINC000070537606 323197235 /nfs/dbraw/zinc/19/72/35/323197235.db2.gz CZYYZHNVQHUOTG-JSGCOSHPSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccc(CNCC[C@H]2CCC[C@H](C)C2)o1 ZINC000070537607 323197248 /nfs/dbraw/zinc/19/72/48/323197248.db2.gz CZYYZHNVQHUOTG-GXTWGEPZSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccc(CNCC[C@@H]2CCC[C@@H](C)C2)o1 ZINC000070537608 323197268 /nfs/dbraw/zinc/19/72/68/323197268.db2.gz CZYYZHNVQHUOTG-OCCSQVGLSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccc(CNCC[C@H]2CCC[C@@H](C)C2)o1 ZINC000070537609 323197215 /nfs/dbraw/zinc/19/72/15/323197215.db2.gz CZYYZHNVQHUOTG-TZMCWYRMSA-N 0 3 235.371 3.894 20 0 BHADHN C[C@H](NCC[C@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000070537618 323197220 /nfs/dbraw/zinc/19/72/20/323197220.db2.gz UDXFKBWQOKRQMQ-QLFBSQMISA-N 0 3 246.398 3.949 20 0 BHADHN C[C@H](NCC[C@@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000070537620 323197278 /nfs/dbraw/zinc/19/72/78/323197278.db2.gz UDXFKBWQOKRQMQ-ILXRZTDVSA-N 0 3 246.398 3.949 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1NCc1nc(C)cs1 ZINC000070558424 350536093 /nfs/dbraw/zinc/53/60/93/350536093.db2.gz KYHDLSSMOSFCFN-NEPJUHHUSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCCC[C@@H]1NCc1nc(C)cs1 ZINC000070558425 350536291 /nfs/dbraw/zinc/53/62/91/350536291.db2.gz KYHDLSSMOSFCFN-RYUDHWBXSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H]1CCCC[C@H]1NCc1nc(C)cs1 ZINC000070558426 350536055 /nfs/dbraw/zinc/53/60/55/350536055.db2.gz KYHDLSSMOSFCFN-VXGBXAGGSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCCC[C@H]1NCc1nc(C)cs1 ZINC000070558427 350534683 /nfs/dbraw/zinc/53/46/83/350534683.db2.gz KYHDLSSMOSFCFN-NWDGAFQWSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H]1CCC[C@H](NCc2nc(C)cs2)C1 ZINC000070562761 350541148 /nfs/dbraw/zinc/54/11/48/350541148.db2.gz JGPQCIWGCLQFLW-NEPJUHHUSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCC[C@H](NCc2nc(C)cs2)C1 ZINC000070562762 386571288 /nfs/dbraw/zinc/57/12/88/386571288.db2.gz JGPQCIWGCLQFLW-RYUDHWBXSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H]1CCC[C@@H](NCc2nc(C)cs2)C1 ZINC000070562763 350541066 /nfs/dbraw/zinc/54/10/66/350541066.db2.gz JGPQCIWGCLQFLW-VXGBXAGGSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCC[C@@H](NCc2nc(C)cs2)C1 ZINC000070562764 386572473 /nfs/dbraw/zinc/57/24/73/386572473.db2.gz JGPQCIWGCLQFLW-NWDGAFQWSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H]1CCC[C@H](NCc2csc(C)n2)C1 ZINC000070562793 350540941 /nfs/dbraw/zinc/54/09/41/350540941.db2.gz ZOYNYMWRJUJLIE-NEPJUHHUSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCC[C@H](NCc2csc(C)n2)C1 ZINC000070562794 386570467 /nfs/dbraw/zinc/57/04/67/386570467.db2.gz ZOYNYMWRJUJLIE-RYUDHWBXSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H]1CCC[C@@H](NCc2csc(C)n2)C1 ZINC000070562795 350541115 /nfs/dbraw/zinc/54/11/15/350541115.db2.gz ZOYNYMWRJUJLIE-VXGBXAGGSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCC[C@@H](NCc2csc(C)n2)C1 ZINC000070562796 386571907 /nfs/dbraw/zinc/57/19/07/386571907.db2.gz ZOYNYMWRJUJLIE-NWDGAFQWSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H](NC1CCCCC1)c1nccs1 ZINC000070633905 135001676 /nfs/dbraw/zinc/00/16/76/135001676.db2.gz XHHOBCHJSLFVOG-NSHDSACASA-N 0 3 224.373 3.517 20 0 BHADHN CC[C@@H](NC1CCCCC1)c1nccs1 ZINC000070633906 535802730 /nfs/dbraw/zinc/80/27/30/535802730.db2.gz XHHOBCHJSLFVOG-LLVKDONJSA-N 0 3 224.373 3.517 20 0 BHADHN C[C@H](NC1CCCCCC1)c1nccs1 ZINC000070634069 384128199 /nfs/dbraw/zinc/12/81/99/384128199.db2.gz FKNAZXLIMPZSLF-JTQLQIEISA-N 0 3 224.373 3.517 20 0 BHADHN C[C@@H](NC1CCCCCC1)c1nccs1 ZINC000070634070 384128060 /nfs/dbraw/zinc/12/80/60/384128060.db2.gz FKNAZXLIMPZSLF-SNVBAGLBSA-N 0 3 224.373 3.517 20 0 BHADHN C[C@H](NC1CCC(C)(C)CC1)c1ccco1 ZINC000070654006 135005679 /nfs/dbraw/zinc/00/56/79/135005679.db2.gz ZZCMJVVJWFBFGL-NSHDSACASA-N 0 3 221.344 3.899 20 0 BHADHN C[C@@H](NC1CCC(C)(C)CC1)c1ccco1 ZINC000070654007 135005827 /nfs/dbraw/zinc/00/58/27/135005827.db2.gz ZZCMJVVJWFBFGL-LLVKDONJSA-N 0 3 221.344 3.899 20 0 BHADHN Cc1csc(CNC2CCC(C)(C)CC2)n1 ZINC000070654144 135005115 /nfs/dbraw/zinc/00/51/15/135005115.db2.gz AFQLLRSFJUHHJR-UHFFFAOYSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CNC2CCC(C)(C)CC2)cs1 ZINC000070654159 135005663 /nfs/dbraw/zinc/00/56/63/135005663.db2.gz FEYMPYGVVYGSAO-UHFFFAOYSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1ccc(CNC2CCC(C)(C)CC2)o1 ZINC000070654309 386646828 /nfs/dbraw/zinc/64/68/28/386646828.db2.gz ZDKBZDLCASGPBZ-UHFFFAOYSA-N 0 3 221.344 3.646 20 0 BHADHN CC1(C)CCC(NCc2ccc(Cl)o2)CC1 ZINC000070655257 325021186 /nfs/dbraw/zinc/02/11/86/325021186.db2.gz OQEFGNAOFMLCGU-UHFFFAOYSA-N 0 3 241.762 3.991 20 0 BHADHN Clc1ccc(CNC2CCCCCC2)nc1 ZINC000070657594 384130668 /nfs/dbraw/zinc/13/06/68/384130668.db2.gz UFEYTIBWECIXLO-UHFFFAOYSA-N 0 3 238.762 3.547 20 0 BHADHN Cc1csc(CN[C@@H]2CCCC(C)(C)C2)n1 ZINC000070683167 135008634 /nfs/dbraw/zinc/00/86/34/135008634.db2.gz XNRGRAKAFXCIMQ-LLVKDONJSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1csc(CN[C@H]2CCCC(C)(C)C2)n1 ZINC000070683168 135007961 /nfs/dbraw/zinc/00/79/61/135007961.db2.gz XNRGRAKAFXCIMQ-NSHDSACASA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@@H]2CCCC(C)(C)C2)cs1 ZINC000070683211 359061986 /nfs/dbraw/zinc/06/19/86/359061986.db2.gz UXPQBOLBLGLWAX-LLVKDONJSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@H]2CCCC(C)(C)C2)cs1 ZINC000070683213 359062189 /nfs/dbraw/zinc/06/21/89/359062189.db2.gz UXPQBOLBLGLWAX-NSHDSACASA-N 0 3 238.400 3.510 20 0 BHADHN CCC(CC)CN[C@@H](CC)c1nccs1 ZINC000070717098 343340009 /nfs/dbraw/zinc/34/00/09/343340009.db2.gz IOSBLVBTYPCNMP-NSHDSACASA-N 0 3 226.389 3.620 20 0 BHADHN CCC(CC)CN[C@H](CC)c1nccs1 ZINC000070717101 343340086 /nfs/dbraw/zinc/34/00/86/343340086.db2.gz IOSBLVBTYPCNMP-LLVKDONJSA-N 0 3 226.389 3.620 20 0 BHADHN CC[C@H](N[C@@H](C)CC(C)C)c1nccs1 ZINC000070717108 343340056 /nfs/dbraw/zinc/34/00/56/343340056.db2.gz IEIIBRLRENTFPL-QWRGUYRKSA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@@H](N[C@@H](C)CC(C)C)c1nccs1 ZINC000070717111 343339904 /nfs/dbraw/zinc/33/99/04/343339904.db2.gz IEIIBRLRENTFPL-WDEREUQCSA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@H](N[C@H](C)CC(C)C)c1nccs1 ZINC000070717113 343340188 /nfs/dbraw/zinc/34/01/88/343340188.db2.gz IEIIBRLRENTFPL-MNOVXSKESA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@@H](N[C@H](C)CC(C)C)c1nccs1 ZINC000070717116 343340205 /nfs/dbraw/zinc/34/02/05/343340205.db2.gz IEIIBRLRENTFPL-GHMZBOCLSA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@H](C)C1)c1nccs1 ZINC000070717170 359061432 /nfs/dbraw/zinc/06/14/32/359061432.db2.gz IJZJWSIUMWBWCN-TUAOUCFPSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@H](C)C1)c1nccs1 ZINC000070717174 359062160 /nfs/dbraw/zinc/06/21/60/359062160.db2.gz IJZJWSIUMWBWCN-SRVKXCTJSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](NC[C@H]1CC=CCC1)c1nccs1 ZINC000070717196 359062108 /nfs/dbraw/zinc/06/21/08/359062108.db2.gz ASXRTJAVQFDYMB-RYUDHWBXSA-N 0 3 236.384 3.540 20 0 BHADHN CC[C@@H](NC[C@H]1CC=CCC1)c1nccs1 ZINC000070717199 359061835 /nfs/dbraw/zinc/06/18/35/359061835.db2.gz ASXRTJAVQFDYMB-NWDGAFQWSA-N 0 3 236.384 3.540 20 0 BHADHN CC[C@H](NC[C@@H]1CC=CCC1)c1nccs1 ZINC000070717202 359061778 /nfs/dbraw/zinc/06/17/78/359061778.db2.gz ASXRTJAVQFDYMB-NEPJUHHUSA-N 0 3 236.384 3.540 20 0 BHADHN CC[C@@H](NC[C@@H]1CC=CCC1)c1nccs1 ZINC000070717205 359062179 /nfs/dbraw/zinc/06/21/79/359062179.db2.gz ASXRTJAVQFDYMB-VXGBXAGGSA-N 0 3 236.384 3.540 20 0 BHADHN CC[C@H](N[C@@H](C)C1CCCC1)c1nccs1 ZINC000070717252 359062123 /nfs/dbraw/zinc/06/21/23/359062123.db2.gz WAQINGMFJIMTJZ-JQWIXIFHSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H](N[C@@H](C)C1CCCC1)c1nccs1 ZINC000070717253 359061418 /nfs/dbraw/zinc/06/14/18/359061418.db2.gz WAQINGMFJIMTJZ-CMPLNLGQSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](N[C@H](C)C1CCCC1)c1nccs1 ZINC000070717254 359061627 /nfs/dbraw/zinc/06/16/27/359061627.db2.gz WAQINGMFJIMTJZ-PWSUYJOCSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H](N[C@H](C)C1CCCC1)c1nccs1 ZINC000070717255 359061618 /nfs/dbraw/zinc/06/16/18/359061618.db2.gz WAQINGMFJIMTJZ-ZYHUDNBSSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](NCC1CCCCC1)c1nccs1 ZINC000070717258 323221919 /nfs/dbraw/zinc/22/19/19/323221919.db2.gz POOVIXDPTKVEKH-LBPRGKRZSA-N 0 3 238.400 3.764 20 0 BHADHN CC[C@@H](NCC1CCCCC1)c1nccs1 ZINC000070717259 323221970 /nfs/dbraw/zinc/22/19/70/323221970.db2.gz POOVIXDPTKVEKH-GFCCVEGCSA-N 0 3 238.400 3.764 20 0 BHADHN CCCC[C@@H](C)N[C@@H](CC)c1nccs1 ZINC000070717288 135009716 /nfs/dbraw/zinc/00/97/16/135009716.db2.gz UNVNRZBUUQFSAP-MNOVXSKESA-N 0 3 226.389 3.763 20 0 BHADHN CCCC[C@H](C)N[C@@H](CC)c1nccs1 ZINC000070717289 135009214 /nfs/dbraw/zinc/00/92/14/135009214.db2.gz UNVNRZBUUQFSAP-QWRGUYRKSA-N 0 3 226.389 3.763 20 0 BHADHN CCCC[C@@H](C)N[C@H](CC)c1nccs1 ZINC000070717290 135009374 /nfs/dbraw/zinc/00/93/74/135009374.db2.gz UNVNRZBUUQFSAP-GHMZBOCLSA-N 0 3 226.389 3.763 20 0 BHADHN CCCC[C@H](C)N[C@H](CC)c1nccs1 ZINC000070717293 135009384 /nfs/dbraw/zinc/00/93/84/135009384.db2.gz UNVNRZBUUQFSAP-WDEREUQCSA-N 0 3 226.389 3.763 20 0 BHADHN CCCCCCN[C@@H](CC)c1nccs1 ZINC000070717360 643064907 /nfs/dbraw/zinc/06/49/07/643064907.db2.gz WTKHIOJNJVAJMH-NSHDSACASA-N 0 3 226.389 3.764 20 0 BHADHN CCCCCCN[C@H](CC)c1nccs1 ZINC000070717361 643066087 /nfs/dbraw/zinc/06/60/87/643066087.db2.gz WTKHIOJNJVAJMH-LLVKDONJSA-N 0 3 226.389 3.764 20 0 BHADHN CC[C@H](NCCC(C)(C)C)c1nccs1 ZINC000070717367 343340350 /nfs/dbraw/zinc/34/03/50/343340350.db2.gz LAWNSIXAMFNLOM-JTQLQIEISA-N 0 3 226.389 3.620 20 0 BHADHN CC[C@@H](NCCC(C)(C)C)c1nccs1 ZINC000070717369 343340247 /nfs/dbraw/zinc/34/02/47/343340247.db2.gz LAWNSIXAMFNLOM-SNVBAGLBSA-N 0 3 226.389 3.620 20 0 BHADHN CC[C@H](NC1CCC(C)CC1)c1nccs1 ZINC000070717387 135009248 /nfs/dbraw/zinc/00/92/48/135009248.db2.gz AXFQACWVFRJPJN-MCIGGMRASA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H](NC1CCC(C)CC1)c1nccs1 ZINC000070717388 135008916 /nfs/dbraw/zinc/00/89/16/135008916.db2.gz AXFQACWVFRJPJN-HTAVTVPLSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](NC1CCCCCC1)c1nccs1 ZINC000070717389 325025186 /nfs/dbraw/zinc/02/51/86/325025186.db2.gz PBHXNNXADZTDFT-LBPRGKRZSA-N 0 3 238.400 3.907 20 0 BHADHN CC[C@@H](NC1CCCCCC1)c1nccs1 ZINC000070717390 325025536 /nfs/dbraw/zinc/02/55/36/325025536.db2.gz PBHXNNXADZTDFT-GFCCVEGCSA-N 0 3 238.400 3.907 20 0 BHADHN CCC[C@@H](C)CN[C@@H](CC)c1nccs1 ZINC000070717473 135009528 /nfs/dbraw/zinc/00/95/28/135009528.db2.gz DDDGOPUNVMVCBH-MNOVXSKESA-N 0 3 226.389 3.620 20 0 BHADHN CCC[C@H](C)CN[C@@H](CC)c1nccs1 ZINC000070717474 135009122 /nfs/dbraw/zinc/00/91/22/135009122.db2.gz DDDGOPUNVMVCBH-QWRGUYRKSA-N 0 3 226.389 3.620 20 0 BHADHN CCC[C@@H](C)CN[C@H](CC)c1nccs1 ZINC000070717475 135009044 /nfs/dbraw/zinc/00/90/44/135009044.db2.gz DDDGOPUNVMVCBH-GHMZBOCLSA-N 0 3 226.389 3.620 20 0 BHADHN CCC[C@H](C)CN[C@H](CC)c1nccs1 ZINC000070717476 135009379 /nfs/dbraw/zinc/00/93/79/135009379.db2.gz DDDGOPUNVMVCBH-WDEREUQCSA-N 0 3 226.389 3.620 20 0 BHADHN CCCC(CCC)N[C@@H](C)c1nccs1 ZINC000070717636 325026398 /nfs/dbraw/zinc/02/63/98/325026398.db2.gz MGTLQVIWBYAQRA-JTQLQIEISA-N 0 3 226.389 3.763 20 0 BHADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2nccs2)C1 ZINC000070717671 359063334 /nfs/dbraw/zinc/06/33/34/359063334.db2.gz WSPOBIJUHULTAN-TUAOUCFPSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H]1CCC[C@H](N[C@@H](C)c2nccs2)C1 ZINC000070717672 325025080 /nfs/dbraw/zinc/02/50/80/325025080.db2.gz WSPOBIJUHULTAN-SRVKXCTJSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2nccs2)C1 ZINC000070717673 359063277 /nfs/dbraw/zinc/06/32/77/359063277.db2.gz WSPOBIJUHULTAN-QJPTWQEYSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H]1CCC[C@@H](N[C@@H](C)c2nccs2)C1 ZINC000070717675 325025110 /nfs/dbraw/zinc/02/51/10/325025110.db2.gz WSPOBIJUHULTAN-SDDRHHMPSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@@H](C)C1CCCCC1)c1nccs1 ZINC000070732137 359062862 /nfs/dbraw/zinc/06/28/62/359062862.db2.gz JKEVKWCBZCPTBH-QWRGUYRKSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@@H](C)C1CCCCC1)c1nccs1 ZINC000070732138 359063093 /nfs/dbraw/zinc/06/30/93/359063093.db2.gz JKEVKWCBZCPTBH-WDEREUQCSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@@H](C)c1nccs1)C1CCCCC1 ZINC000070732139 359062612 /nfs/dbraw/zinc/06/26/12/359062612.db2.gz JKEVKWCBZCPTBH-MNOVXSKESA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@H](C)C1CCCCC1)c1nccs1 ZINC000070732140 359063112 /nfs/dbraw/zinc/06/31/12/359063112.db2.gz JKEVKWCBZCPTBH-GHMZBOCLSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](NC1[C@@H](C)CCC[C@@H]1C)c1nccs1 ZINC000070732186 134922763 /nfs/dbraw/zinc/92/27/63/134922763.db2.gz FHFTUMLHUVHYEK-DCAQKATOSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](NC1[C@H](C)CCC[C@H]1C)c1nccs1 ZINC000070732187 359063233 /nfs/dbraw/zinc/06/32/33/359063233.db2.gz FHFTUMLHUVHYEK-MXWKQRLJSA-N 0 3 238.400 3.618 20 0 BHADHN CC(C)CC[C@@H](C)N[C@@H](C)c1nccs1 ZINC000070732196 383962287 /nfs/dbraw/zinc/96/22/87/383962287.db2.gz CXOQKRYBZGOASU-MNOVXSKESA-N 0 3 226.389 3.618 20 0 BHADHN CC(C)CC[C@H](C)N[C@@H](C)c1nccs1 ZINC000070732197 343340367 /nfs/dbraw/zinc/34/03/67/343340367.db2.gz CXOQKRYBZGOASU-QWRGUYRKSA-N 0 3 226.389 3.618 20 0 BHADHN CC(C)CC[C@@H](C)N[C@H](C)c1nccs1 ZINC000070732198 384135219 /nfs/dbraw/zinc/13/52/19/384135219.db2.gz CXOQKRYBZGOASU-GHMZBOCLSA-N 0 3 226.389 3.618 20 0 BHADHN CC(C)CC[C@H](C)N[C@H](C)c1nccs1 ZINC000070732199 343340244 /nfs/dbraw/zinc/34/02/44/343340244.db2.gz CXOQKRYBZGOASU-WDEREUQCSA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nccs1 ZINC000070732212 359062903 /nfs/dbraw/zinc/06/29/03/359062903.db2.gz SSQMIAJHJHEDDM-TUAOUCFPSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1nccs1 ZINC000070732214 359063323 /nfs/dbraw/zinc/06/33/23/359063323.db2.gz SSQMIAJHJHEDDM-QJPTWQEYSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@@H]1CCCC(C)(C)C1)c1nccs1 ZINC000070732220 325026924 /nfs/dbraw/zinc/02/69/24/325026924.db2.gz VYTPFAYUAXQVHF-WDEREUQCSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@H]1CCCC(C)(C)C1)c1nccs1 ZINC000070732222 325026656 /nfs/dbraw/zinc/02/66/56/325026656.db2.gz VYTPFAYUAXQVHF-QWRGUYRKSA-N 0 3 238.400 3.763 20 0 BHADHN CCCCC[C@@H](C)N[C@@H](C)c1nccs1 ZINC000070732274 383962528 /nfs/dbraw/zinc/96/25/28/383962528.db2.gz CDMPLFCUEVZEGH-MNOVXSKESA-N 0 3 226.389 3.763 20 0 BHADHN CCCCC[C@H](C)N[C@@H](C)c1nccs1 ZINC000070732275 383961496 /nfs/dbraw/zinc/96/14/96/383961496.db2.gz CDMPLFCUEVZEGH-QWRGUYRKSA-N 0 3 226.389 3.763 20 0 BHADHN CCCCC[C@@H](C)N[C@H](C)c1nccs1 ZINC000070732276 383961285 /nfs/dbraw/zinc/96/12/85/383961285.db2.gz CDMPLFCUEVZEGH-GHMZBOCLSA-N 0 3 226.389 3.763 20 0 BHADHN CCCCC[C@H](C)N[C@H](C)c1nccs1 ZINC000070732277 383962012 /nfs/dbraw/zinc/96/20/12/383962012.db2.gz CDMPLFCUEVZEGH-WDEREUQCSA-N 0 3 226.389 3.763 20 0 BHADHN C[C@H](NC1CCC(C)(C)CC1)c1nccs1 ZINC000070732326 135009062 /nfs/dbraw/zinc/00/90/62/135009062.db2.gz ZXEHACDQPKKBBW-JTQLQIEISA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](NC1CCC(C)(C)CC1)c1nccs1 ZINC000070732327 135009903 /nfs/dbraw/zinc/00/99/03/135009903.db2.gz ZXEHACDQPKKBBW-SNVBAGLBSA-N 0 3 238.400 3.763 20 0 BHADHN CCC1CCC(N[C@@H](C)c2nccs2)CC1 ZINC000070732328 535322059 /nfs/dbraw/zinc/32/20/59/535322059.db2.gz QLDTYUOBXBWCHA-UNXYVOJBSA-N 0 3 238.400 3.763 20 0 BHADHN CCC1CCC(N[C@H](C)c2nccs2)CC1 ZINC000070732329 535322530 /nfs/dbraw/zinc/32/25/30/535322530.db2.gz QLDTYUOBXBWCHA-VOMCLLRMSA-N 0 3 238.400 3.763 20 0 BHADHN CCCC[C@@H](CC)N[C@@H](C)c1nccs1 ZINC000070732344 325025623 /nfs/dbraw/zinc/02/56/23/325025623.db2.gz HHTNBSQZHNSIRZ-WDEREUQCSA-N 0 3 226.389 3.763 20 0 BHADHN CCCC[C@H](CC)N[C@@H](C)c1nccs1 ZINC000070732345 325025547 /nfs/dbraw/zinc/02/55/47/325025547.db2.gz HHTNBSQZHNSIRZ-QWRGUYRKSA-N 0 3 226.389 3.763 20 0 BHADHN CCC(CC)CN[C@@H](C)c1nc(C)cs1 ZINC000070732450 135009457 /nfs/dbraw/zinc/00/94/57/135009457.db2.gz RJRXZKNUJXGCNP-JTQLQIEISA-N 0 3 226.389 3.538 20 0 BHADHN CCC(CC)CN[C@H](C)c1nc(C)cs1 ZINC000070732451 135009507 /nfs/dbraw/zinc/00/95/07/135009507.db2.gz RJRXZKNUJXGCNP-SNVBAGLBSA-N 0 3 226.389 3.538 20 0 BHADHN Cc1csc([C@@H](C)N[C@@H](C)CC(C)C)n1 ZINC000070732456 135008966 /nfs/dbraw/zinc/00/89/66/135008966.db2.gz CFNOEJYSEWEZAB-GXSJLCMTSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@@H](C)CC(C)C)n1 ZINC000070732457 135009665 /nfs/dbraw/zinc/00/96/65/135009665.db2.gz CFNOEJYSEWEZAB-ONGXEEELSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1csc([C@@H](C)N[C@H](C)CC(C)C)n1 ZINC000070732458 135009551 /nfs/dbraw/zinc/00/95/51/135009551.db2.gz CFNOEJYSEWEZAB-MWLCHTKSSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@H](C)CC(C)C)n1 ZINC000070732459 135009916 /nfs/dbraw/zinc/00/99/16/135009916.db2.gz CFNOEJYSEWEZAB-KOLCDFICSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@@H]2CCC[C@H](C)C2)n1 ZINC000070732525 135011000 /nfs/dbraw/zinc/01/10/00/135011000.db2.gz VILOQEJGRNZLGO-ZMLRMANQSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@H]2CCC[C@H](C)C2)n1 ZINC000070732527 135010142 /nfs/dbraw/zinc/01/01/42/135010142.db2.gz VILOQEJGRNZLGO-DLOVCJGASA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@@H](C)N[C@@H](C)C2CCCC2)n1 ZINC000070732602 135010275 /nfs/dbraw/zinc/01/02/75/135010275.db2.gz MZBMSJIUUZMALT-WDEREUQCSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@@H](C)C2CCCC2)n1 ZINC000070732603 135010150 /nfs/dbraw/zinc/01/01/50/135010150.db2.gz MZBMSJIUUZMALT-QWRGUYRKSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@@H](C)N[C@H](C)C2CCCC2)n1 ZINC000070732604 135010269 /nfs/dbraw/zinc/01/02/69/135010269.db2.gz MZBMSJIUUZMALT-GHMZBOCLSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@H](C)C2CCCC2)n1 ZINC000070732605 135011106 /nfs/dbraw/zinc/01/11/06/135011106.db2.gz MZBMSJIUUZMALT-MNOVXSKESA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@@H](C)NCC2CCCCC2)n1 ZINC000070732616 135011087 /nfs/dbraw/zinc/01/10/87/135011087.db2.gz YUBZERJHNVBJND-LLVKDONJSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1csc([C@H](C)NCC2CCCCC2)n1 ZINC000070732617 135010928 /nfs/dbraw/zinc/01/09/28/135010928.db2.gz YUBZERJHNVBJND-NSHDSACASA-N 0 3 238.400 3.682 20 0 BHADHN Cc1csc([C@@H](C)N[C@@H](C)CCC(C)C)n1 ZINC000070732628 135010968 /nfs/dbraw/zinc/01/09/68/135010968.db2.gz JGNNHHFGZCSZSC-CMPLNLGQSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1csc([C@H](C)N[C@@H](C)CCC(C)C)n1 ZINC000070732629 135010992 /nfs/dbraw/zinc/01/09/92/135010992.db2.gz JGNNHHFGZCSZSC-JQWIXIFHSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1csc([C@@H](C)N[C@H](C)CCC(C)C)n1 ZINC000070732630 135010172 /nfs/dbraw/zinc/01/01/72/135010172.db2.gz JGNNHHFGZCSZSC-ZYHUDNBSSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1csc([C@H](C)N[C@H](C)CCC(C)C)n1 ZINC000070732631 135010774 /nfs/dbraw/zinc/01/07/74/135010774.db2.gz JGNNHHFGZCSZSC-PWSUYJOCSA-N 0 3 240.416 3.927 20 0 BHADHN CCCC[C@@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000070732640 135010899 /nfs/dbraw/zinc/01/08/99/135010899.db2.gz DPZDCCRQHZHRFT-KOLCDFICSA-N 0 3 226.389 3.681 20 0 BHADHN CCCC[C@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000070732641 135010595 /nfs/dbraw/zinc/01/05/95/135010595.db2.gz DPZDCCRQHZHRFT-ONGXEEELSA-N 0 3 226.389 3.681 20 0 BHADHN CCCC[C@@H](C)N[C@H](C)c1nc(C)cs1 ZINC000070732642 135010537 /nfs/dbraw/zinc/01/05/37/135010537.db2.gz DPZDCCRQHZHRFT-MWLCHTKSSA-N 0 3 226.389 3.681 20 0 BHADHN CCCC[C@H](C)N[C@H](C)c1nc(C)cs1 ZINC000070732643 135010829 /nfs/dbraw/zinc/01/08/29/135010829.db2.gz DPZDCCRQHZHRFT-GXSJLCMTSA-N 0 3 226.389 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@@H]2CCCC[C@@H]2C)n1 ZINC000070732687 135011017 /nfs/dbraw/zinc/01/10/17/135011017.db2.gz BHQDVIYTEHIBBS-ZMLRMANQSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@H]2CCCC[C@@H]2C)n1 ZINC000070732689 135010910 /nfs/dbraw/zinc/01/09/10/135010910.db2.gz BHQDVIYTEHIBBS-DLOVCJGASA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000070732705 135010427 /nfs/dbraw/zinc/01/04/27/135010427.db2.gz ZMDFODPQNWGZFT-GDPRMGEGSA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000070732707 135011057 /nfs/dbraw/zinc/01/10/57/135011057.db2.gz ZMDFODPQNWGZFT-LSJOCFKGSA-N 0 3 226.389 3.537 20 0 BHADHN CCCCCCN[C@@H](C)c1nc(C)cs1 ZINC000070732708 643067785 /nfs/dbraw/zinc/06/77/85/643067785.db2.gz FHJMPWBWJDCHCW-NSHDSACASA-N 0 3 226.389 3.682 20 0 BHADHN CCCCCCN[C@H](C)c1nc(C)cs1 ZINC000070732709 643067177 /nfs/dbraw/zinc/06/71/77/643067177.db2.gz FHJMPWBWJDCHCW-LLVKDONJSA-N 0 3 226.389 3.682 20 0 BHADHN Cc1csc([C@@H](C)NCCC(C)(C)C)n1 ZINC000070732710 135010300 /nfs/dbraw/zinc/01/03/00/135010300.db2.gz FBVOMAQBXXOZPK-SNVBAGLBSA-N 0 3 226.389 3.538 20 0 BHADHN Cc1csc([C@H](C)NCCC(C)(C)C)n1 ZINC000070732711 135010307 /nfs/dbraw/zinc/01/03/07/135010307.db2.gz FBVOMAQBXXOZPK-JTQLQIEISA-N 0 3 226.389 3.538 20 0 BHADHN Cc1csc([C@@H](C)NC2CCC(C)CC2)n1 ZINC000070732720 135010532 /nfs/dbraw/zinc/01/05/32/135010532.db2.gz NAOSHNCYYNYWQZ-CKBZRRDASA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)NC2CCC(C)CC2)n1 ZINC000070732721 135011161 /nfs/dbraw/zinc/01/11/61/135011161.db2.gz NAOSHNCYYNYWQZ-ZYXZCXLHSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@@H](C)NC2CCCCCC2)n1 ZINC000070732722 135010862 /nfs/dbraw/zinc/01/08/62/135010862.db2.gz JRITYRJBCVUWEM-LLVKDONJSA-N 0 3 238.400 3.825 20 0 BHADHN Cc1csc([C@H](C)NC2CCCCCC2)n1 ZINC000070732723 135010964 /nfs/dbraw/zinc/01/09/64/135010964.db2.gz JRITYRJBCVUWEM-NSHDSACASA-N 0 3 238.400 3.825 20 0 BHADHN CCC[C@@H](C)CN[C@@H](C)c1nc(C)cs1 ZINC000070732746 135010373 /nfs/dbraw/zinc/01/03/73/135010373.db2.gz WJFOJSSMMWDUEE-KOLCDFICSA-N 0 3 226.389 3.538 20 0 BHADHN CCC[C@H](C)CN[C@@H](C)c1nc(C)cs1 ZINC000070732747 135010602 /nfs/dbraw/zinc/01/06/02/135010602.db2.gz WJFOJSSMMWDUEE-ONGXEEELSA-N 0 3 226.389 3.538 20 0 BHADHN CCC[C@@H](C)CN[C@H](C)c1nc(C)cs1 ZINC000070732748 135011071 /nfs/dbraw/zinc/01/10/71/135011071.db2.gz WJFOJSSMMWDUEE-MWLCHTKSSA-N 0 3 226.389 3.538 20 0 BHADHN CCC[C@H](C)CN[C@H](C)c1nc(C)cs1 ZINC000070732749 135010587 /nfs/dbraw/zinc/01/05/87/135010587.db2.gz WJFOJSSMMWDUEE-GXSJLCMTSA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@H](N[C@@H](C)c1nc(C)cs1)C(C)C ZINC000070732762 490236564 /nfs/dbraw/zinc/23/65/64/490236564.db2.gz SQWAGQXOHATWDM-QWRGUYRKSA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@@H](N[C@@H](C)c1nc(C)cs1)C(C)C ZINC000070732763 490236603 /nfs/dbraw/zinc/23/66/03/490236603.db2.gz SQWAGQXOHATWDM-WDEREUQCSA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@H](N[C@H](C)c1nc(C)cs1)C(C)C ZINC000070732764 490236428 /nfs/dbraw/zinc/23/64/28/490236428.db2.gz SQWAGQXOHATWDM-MNOVXSKESA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@@H](N[C@H](C)c1nc(C)cs1)C(C)C ZINC000070732765 490236400 /nfs/dbraw/zinc/23/64/00/490236400.db2.gz SQWAGQXOHATWDM-GHMZBOCLSA-N 0 3 226.389 3.537 20 0 BHADHN C[C@@H]1CC[C@H](NCc2ccccc2Cl)C1 ZINC000070747914 176233597 /nfs/dbraw/zinc/23/35/97/176233597.db2.gz RSBFGMHRSZBXSX-PWSUYJOCSA-N 0 3 223.747 3.618 20 0 BHADHN C[C@H]1CC[C@H](NCc2ccccc2Cl)C1 ZINC000070747915 177205632 /nfs/dbraw/zinc/20/56/32/177205632.db2.gz RSBFGMHRSZBXSX-JQWIXIFHSA-N 0 3 223.747 3.618 20 0 BHADHN C[C@@H]1CC[C@@H](NCc2ccccc2Cl)C1 ZINC000070747922 176213373 /nfs/dbraw/zinc/21/33/73/176213373.db2.gz RSBFGMHRSZBXSX-ZYHUDNBSSA-N 0 3 223.747 3.618 20 0 BHADHN C[C@H]1CC[C@@H](NCc2ccccc2Cl)C1 ZINC000070747960 177193592 /nfs/dbraw/zinc/19/35/92/177193592.db2.gz RSBFGMHRSZBXSX-CMPLNLGQSA-N 0 3 223.747 3.618 20 0 BHADHN CC[C@@H]1CC[C@H](N[C@@H](C)c2nc(C)cs2)C1 ZINC000070763132 134924011 /nfs/dbraw/zinc/92/40/11/134924011.db2.gz HPAKPXATJHCDKW-TUAOUCFPSA-N 0 3 238.400 3.681 20 0 BHADHN CCN(Cc1cccs1)Cc1cccs1 ZINC000070823858 325035412 /nfs/dbraw/zinc/03/54/12/325035412.db2.gz NRCVBJGJFRSLGP-UHFFFAOYSA-N 0 3 237.393 3.832 20 0 BHADHN C[C@@H]1CCC[C@@H]1NCc1c(F)cccc1Cl ZINC000070826667 325035323 /nfs/dbraw/zinc/03/53/23/325035323.db2.gz ZTDOVRHXOZQIMY-RNCFNFMXSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CCC[C@@H]1NCc1c(F)cccc1Cl ZINC000070826671 325035134 /nfs/dbraw/zinc/03/51/34/325035134.db2.gz ZTDOVRHXOZQIMY-ZANVPECISA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H]1CCC[C@H]1NCc1c(F)cccc1Cl ZINC000070826674 325035620 /nfs/dbraw/zinc/03/56/20/325035620.db2.gz ZTDOVRHXOZQIMY-NOZJJQNGSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CCC[C@H]1NCc1c(F)cccc1Cl ZINC000070826676 325035364 /nfs/dbraw/zinc/03/53/64/325035364.db2.gz ZTDOVRHXOZQIMY-TVQRCGJNSA-N 0 3 241.737 3.757 20 0 BHADHN Cc1nc([C@H](C)N[C@@H]2CCC[C@@H]2C)c(C)s1 ZINC000070827046 490239660 /nfs/dbraw/zinc/23/96/60/490239660.db2.gz MDYJZEXIUDWXPQ-HOTUBEGUSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@H](C)N[C@H]2CCC[C@@H]2C)c(C)s1 ZINC000070827054 491121475 /nfs/dbraw/zinc/12/14/75/491121475.db2.gz MDYJZEXIUDWXPQ-AUTRQRHGSA-N 0 3 238.400 3.599 20 0 BHADHN C[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1Cl ZINC000070830668 325035970 /nfs/dbraw/zinc/03/59/70/325035970.db2.gz GUORUFKRCKEHLK-RNCFNFMXSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CCC[C@@H]1NCc1ccc(F)cc1Cl ZINC000070830672 325035828 /nfs/dbraw/zinc/03/58/28/325035828.db2.gz GUORUFKRCKEHLK-ZANVPECISA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H]1CCC[C@H]1NCc1ccc(F)cc1Cl ZINC000070830673 325036101 /nfs/dbraw/zinc/03/61/01/325036101.db2.gz GUORUFKRCKEHLK-NOZJJQNGSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CCC[C@H]1NCc1ccc(F)cc1Cl ZINC000070830679 325036118 /nfs/dbraw/zinc/03/61/18/325036118.db2.gz GUORUFKRCKEHLK-TVQRCGJNSA-N 0 3 241.737 3.757 20 0 BHADHN c1cc2c(cccc2CNCc2ccsc2)[nH]1 ZINC000070938904 359066286 /nfs/dbraw/zinc/06/62/86/359066286.db2.gz FULCUMUWKYCPSI-UHFFFAOYSA-N 0 3 242.347 3.519 20 0 BHADHN c1ccc(CN(CC2CCCCC2)C2CC2)nc1 ZINC000071114413 359071356 /nfs/dbraw/zinc/07/13/56/359071356.db2.gz CZXYALKZQSKREN-UHFFFAOYSA-N 0 3 244.382 3.626 20 0 BHADHN c1cncc(CN(CC2CCCCC2)C2CC2)c1 ZINC000071122168 325057321 /nfs/dbraw/zinc/05/73/21/325057321.db2.gz SKDHRKZLYYHSNW-UHFFFAOYSA-N 0 3 244.382 3.626 20 0 BHADHN C[C@H](N[C@H]1CCC[C@H]1C)c1c(F)cccc1F ZINC000071205510 325061675 /nfs/dbraw/zinc/06/16/75/325061675.db2.gz FPMOSFOYYJRNIB-NRUUGDAUSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CCC[C@@H]1C)c1c(F)cccc1F ZINC000071205511 325061315 /nfs/dbraw/zinc/06/13/15/325061315.db2.gz FPMOSFOYYJRNIB-KWBADKCTSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@H]1C)c1c(F)cccc1F ZINC000071205512 325061301 /nfs/dbraw/zinc/06/13/01/325061301.db2.gz FPMOSFOYYJRNIB-GBIKHYSHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1c(F)cccc1F ZINC000071205513 325061208 /nfs/dbraw/zinc/06/12/08/325061208.db2.gz FPMOSFOYYJRNIB-OUJBWJOFSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CCC[C@H]1C)c1cc(F)ccc1F ZINC000071205586 490258823 /nfs/dbraw/zinc/25/88/23/490258823.db2.gz YENLKWYSPBSRNG-BFVZDQMLSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CCC[C@@H]1C)c1cc(F)ccc1F ZINC000071205587 490258696 /nfs/dbraw/zinc/25/86/96/490258696.db2.gz YENLKWYSPBSRNG-BHDSKKPTSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@H]1C)c1cc(F)ccc1F ZINC000071205588 490258576 /nfs/dbraw/zinc/25/85/76/490258576.db2.gz YENLKWYSPBSRNG-ISTVAULSSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1cc(F)ccc1F ZINC000071205589 490258545 /nfs/dbraw/zinc/25/85/45/490258545.db2.gz YENLKWYSPBSRNG-PKFCDNJMSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H]1CCC[C@@H]1NCc1nc2ccccc2s1 ZINC000071207116 176131800 /nfs/dbraw/zinc/13/18/00/176131800.db2.gz SNXQSALTHDSYFI-MNOVXSKESA-N 0 3 246.379 3.575 20 0 BHADHN C[C@H]1CCC[C@@H]1NCc1nc2ccccc2s1 ZINC000071207117 177126832 /nfs/dbraw/zinc/12/68/32/177126832.db2.gz SNXQSALTHDSYFI-QWRGUYRKSA-N 0 3 246.379 3.575 20 0 BHADHN C[C@@H]1CCC[C@H]1NCc1nc2ccccc2s1 ZINC000071207118 176150494 /nfs/dbraw/zinc/15/04/94/176150494.db2.gz SNXQSALTHDSYFI-GHMZBOCLSA-N 0 3 246.379 3.575 20 0 BHADHN C[C@H]1CCC[C@H]1NCc1nc2ccccc2s1 ZINC000071207119 177142993 /nfs/dbraw/zinc/14/29/93/177142993.db2.gz SNXQSALTHDSYFI-WDEREUQCSA-N 0 3 246.379 3.575 20 0 BHADHN C[C@@H]1CCC[C@@H]1Nc1ccnc2ccccc21 ZINC000071208020 325061527 /nfs/dbraw/zinc/06/15/27/325061527.db2.gz DTOHFNHCFKOIDB-YPMHNXCESA-N 0 3 226.323 3.835 20 0 BHADHN C[C@H]1CCC[C@@H]1Nc1ccnc2ccccc21 ZINC000071208021 325061384 /nfs/dbraw/zinc/06/13/84/325061384.db2.gz DTOHFNHCFKOIDB-AAEUAGOBSA-N 0 3 226.323 3.835 20 0 BHADHN C[C@@H]1CCC[C@H]1Nc1ccnc2ccccc21 ZINC000071208022 325061796 /nfs/dbraw/zinc/06/17/96/325061796.db2.gz DTOHFNHCFKOIDB-DGCLKSJQSA-N 0 3 226.323 3.835 20 0 BHADHN C[C@H]1CCC[C@H]1Nc1ccnc2ccccc21 ZINC000071208023 325061191 /nfs/dbraw/zinc/06/11/91/325061191.db2.gz DTOHFNHCFKOIDB-WCQYABFASA-N 0 3 226.323 3.835 20 0 BHADHN Cc1ncsc1CN[C@H](C)c1ccccc1C ZINC000071212431 179321911 /nfs/dbraw/zinc/32/19/11/179321911.db2.gz OJHFCXGYXQCRAW-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ncsc1CN[C@@H](C)c1ccccc1C ZINC000071212432 179339586 /nfs/dbraw/zinc/33/95/86/179339586.db2.gz OJHFCXGYXQCRAW-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ncsc1CN[C@H](C)c1ccc(C)cc1 ZINC000071212444 384154187 /nfs/dbraw/zinc/15/41/87/384154187.db2.gz DGHBTNYIMWZXOU-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ncsc1CN[C@@H](C)c1ccc(C)cc1 ZINC000071212445 384154809 /nfs/dbraw/zinc/15/48/09/384154809.db2.gz DGHBTNYIMWZXOU-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN CC[C@H](NCc1scnc1C)c1ccccc1 ZINC000071212501 384154327 /nfs/dbraw/zinc/15/43/27/384154327.db2.gz DYZOZWYVHCAOMX-ZDUSSCGKSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1scnc1C)c1ccccc1 ZINC000071212502 170906078 /nfs/dbraw/zinc/90/60/78/170906078.db2.gz DYZOZWYVHCAOMX-CYBMUJFWSA-N 0 3 246.379 3.692 20 0 BHADHN Cc1ncsc1CN[C@H](C)c1cccc(C)c1 ZINC000071212874 359074172 /nfs/dbraw/zinc/07/41/72/359074172.db2.gz XOVMOHHKTGEEPK-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ncsc1CN[C@@H](C)c1cccc(C)c1 ZINC000071212875 359073382 /nfs/dbraw/zinc/07/33/82/359073382.db2.gz XOVMOHHKTGEEPK-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN CC[C@H](NCc1ncccc1C)c1ccccc1 ZINC000071339435 398147265 /nfs/dbraw/zinc/14/72/65/398147265.db2.gz IANVIQRKRJXXIT-HNNXBMFYSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1ncccc1C)c1ccccc1 ZINC000071339436 398147161 /nfs/dbraw/zinc/14/71/61/398147161.db2.gz IANVIQRKRJXXIT-OAHLLOKOSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@H](NCc1ncccc1C)c1cccs1 ZINC000071339555 387121441 /nfs/dbraw/zinc/12/14/41/387121441.db2.gz UOALXQXHFWLKIA-LBPRGKRZSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1ncccc1C)c1cccs1 ZINC000071339556 359077062 /nfs/dbraw/zinc/07/70/62/359077062.db2.gz UOALXQXHFWLKIA-GFCCVEGCSA-N 0 3 246.379 3.692 20 0 BHADHN Cc1cccnc1CNc1ccnc2ccccc21 ZINC000071344295 343348727 /nfs/dbraw/zinc/34/87/27/343348727.db2.gz PVYIXJJBBLCAEB-UHFFFAOYSA-N 0 3 249.317 3.550 20 0 BHADHN CCCNCc1cc(Cl)c(OC)cc1Cl ZINC000071562688 169265245 /nfs/dbraw/zinc/26/52/45/169265245.db2.gz ZRXRADNRXHKCQW-UHFFFAOYSA-N 0 3 248.153 3.502 20 0 BHADHN Cc1ccc(CN(C)CC2CCCCC2)o1 ZINC000071809623 384181182 /nfs/dbraw/zinc/18/11/82/384181182.db2.gz BJSOVQJTDYVNFF-UHFFFAOYSA-N 0 3 221.344 3.600 20 0 BHADHN CN(Cc1ccccc1F)C1CCCCCC1 ZINC000071815603 582691818 /nfs/dbraw/zinc/69/18/18/582691818.db2.gz WSEJVMZCIPWIHB-UHFFFAOYSA-N 0 3 235.346 3.980 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1ccccc1Cl ZINC000071836697 388901131 /nfs/dbraw/zinc/90/11/31/388901131.db2.gz YHOLZFVUGSQXCS-JTQLQIEISA-N 0 3 223.747 3.570 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1ccccc1Cl ZINC000071836700 388900832 /nfs/dbraw/zinc/90/08/32/388900832.db2.gz YHOLZFVUGSQXCS-SNVBAGLBSA-N 0 3 223.747 3.570 20 0 BHADHN CCCN(Cc1cccc(F)c1F)CC1CC1 ZINC000071854573 169175753 /nfs/dbraw/zinc/17/57/53/169175753.db2.gz LOLRDUUAHCBATD-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN CCCCN(C)Cc1ccccc1OC(C)C ZINC000071987373 325107746 /nfs/dbraw/zinc/10/77/46/325107746.db2.gz SDPZMLUMLXIFCI-UHFFFAOYSA-N 0 3 235.371 3.706 20 0 BHADHN CN(C)CCSCc1ccc2ccccc2c1 ZINC000072261844 351173964 /nfs/dbraw/zinc/17/39/64/351173964.db2.gz POZPLUWBEMIFLD-UHFFFAOYSA-N 0 3 245.391 3.635 20 0 BHADHN c1cc(CN2CCCC3(C2)CCCCCC3)on1 ZINC000072801094 364210853 /nfs/dbraw/zinc/21/08/53/364210853.db2.gz CIOMWBQPYAWZEC-UHFFFAOYSA-N 0 3 248.370 3.611 20 0 BHADHN Cc1ccc(CN(C)[C@@H](C)c2ccccc2)o1 ZINC000072802298 359090679 /nfs/dbraw/zinc/09/06/79/359090679.db2.gz CPNUUPIPIASRML-ZDUSSCGKSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1ccc(CN(C)[C@H](C)c2ccccc2)o1 ZINC000072802300 359091261 /nfs/dbraw/zinc/09/12/61/359091261.db2.gz CPNUUPIPIASRML-CYBMUJFWSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1nc(CN(CC(C)C)CC(C)C)cs1 ZINC000072937838 324065961 /nfs/dbraw/zinc/06/59/61/324065961.db2.gz WAWPACWOLIJICS-UHFFFAOYSA-N 0 3 240.416 3.566 20 0 BHADHN CCN(Cc1csc(C)n1)C1CCCCC1 ZINC000072948530 359092309 /nfs/dbraw/zinc/09/23/09/359092309.db2.gz OISPQEORINCVHZ-UHFFFAOYSA-N 0 3 238.400 3.606 20 0 BHADHN CC(C)N(CCC(F)(F)F)Cc1ccccc1 ZINC000072949412 490413951 /nfs/dbraw/zinc/41/39/51/490413951.db2.gz AIQOJIYYANUJEE-UHFFFAOYSA-N 0 3 245.288 3.849 20 0 BHADHN FC(F)(F)CCN1CCC[C@H]1c1cccs1 ZINC000072978748 351838924 /nfs/dbraw/zinc/83/89/24/351838924.db2.gz LLWCXGKRALJBKE-VIFPVBQESA-N 0 3 249.301 3.837 20 0 BHADHN FC(F)(F)CCN1CCC[C@@H]1c1cccs1 ZINC000072978750 351839016 /nfs/dbraw/zinc/83/90/16/351839016.db2.gz LLWCXGKRALJBKE-SECBINFHSA-N 0 3 249.301 3.837 20 0 BHADHN Cc1ccsc1CNCc1ccc(C)c(F)c1 ZINC000073052840 384653501 /nfs/dbraw/zinc/65/35/01/384653501.db2.gz JNPLXRDBBMEGQP-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN CCCCN(C)Cc1ccccc1OC(F)F ZINC000073602888 325205516 /nfs/dbraw/zinc/20/55/16/325205516.db2.gz UYIWUBSWZFVRBV-UHFFFAOYSA-N 0 3 243.297 3.520 20 0 BHADHN Cc1ccc(CNCc2cc(F)cc(F)c2)cc1 ZINC000073649802 384766181 /nfs/dbraw/zinc/76/61/81/384766181.db2.gz FWUBWHDPFDYXCH-UHFFFAOYSA-N 0 3 247.288 3.563 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1ccc(Cl)s1 ZINC000073779518 368816105 /nfs/dbraw/zinc/81/61/05/368816105.db2.gz WAEQAWUWBICWOK-QMMMGPOBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1ccc(Cl)s1 ZINC000073779520 387398397 /nfs/dbraw/zinc/39/83/97/387398397.db2.gz WAEQAWUWBICWOK-MRVPVSSYSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H](NCc1nc2ccccc2s1)C(C)(C)C ZINC000074318567 325241070 /nfs/dbraw/zinc/24/10/70/325241070.db2.gz GSYDCBPMCWKYHW-SNVBAGLBSA-N 0 3 248.395 3.821 20 0 BHADHN CCC(C)(C)N(C)Cc1nc2ccccc2s1 ZINC000074320993 368837806 /nfs/dbraw/zinc/83/78/06/368837806.db2.gz KRLYWRZJPRMWLJ-UHFFFAOYSA-N 0 3 248.395 3.917 20 0 BHADHN Clc1ccc2c(c1)CN(C1CCCC1)CC2 ZINC000074448534 325246419 /nfs/dbraw/zinc/24/64/19/325246419.db2.gz UDLAGLBTIWPSTM-UHFFFAOYSA-N 0 3 235.758 3.641 20 0 BHADHN Clc1cccc2c1CCN(C1CCCC1)C2 ZINC000074448617 325246623 /nfs/dbraw/zinc/24/66/23/325246623.db2.gz CYQXJUCDAXDPDI-UHFFFAOYSA-N 0 3 235.758 3.641 20 0 BHADHN Clc1ccc2c(c1)CCN(C1CCCC1)C2 ZINC000074448691 490489110 /nfs/dbraw/zinc/48/91/10/490489110.db2.gz CRBLCIBOMUVLKA-UHFFFAOYSA-N 0 3 235.758 3.641 20 0 BHADHN C[C@@H]1CCC[C@H](C)N1Cc1nc2ccccc2o1 ZINC000075020938 359139050 /nfs/dbraw/zinc/13/90/50/359139050.db2.gz PQIXWBVBXMRQQX-TXEJJXNPSA-N 0 3 244.338 3.591 20 0 BHADHN Clc1cccc(CN2CCCCCCC2)n1 ZINC000075590062 643473970 /nfs/dbraw/zinc/47/39/70/643473970.db2.gz HXKLMZVERKZCBZ-UHFFFAOYSA-N 0 3 238.762 3.501 20 0 BHADHN Clc1cnccc1CN1CCCCCCC1 ZINC000075590063 641762641 /nfs/dbraw/zinc/76/26/41/641762641.db2.gz FBQKYXFTPFDDSW-UHFFFAOYSA-N 0 3 238.762 3.501 20 0 BHADHN CSCCCN(C)Cc1ccc(Cl)cc1 ZINC000075621263 325304530 /nfs/dbraw/zinc/30/45/30/325304530.db2.gz FIGQXHFNXYVVDT-UHFFFAOYSA-N 0 3 243.803 3.525 20 0 BHADHN Cc1cnc(CN2CCC[C@@H]2C2CCCCC2)o1 ZINC000075641800 359187072 /nfs/dbraw/zinc/18/70/72/359187072.db2.gz JZNGLTLOPFYBPK-CQSZACIVSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1cnc(CN2CCC[C@H]2C2CCCCC2)o1 ZINC000075641802 359187037 /nfs/dbraw/zinc/18/70/37/359187037.db2.gz JZNGLTLOPFYBPK-AWEZNQCLSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1ccsc1CNCc1ccc(C)c(C)c1 ZINC000075675469 325306146 /nfs/dbraw/zinc/30/61/46/325306146.db2.gz UPUGAWYVGMUNMT-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN CC(C)CN(Cc1nc2ccccc2o1)C(C)C ZINC000075683171 367942637 /nfs/dbraw/zinc/94/26/37/367942637.db2.gz CZYKOXYSLMBFAM-UHFFFAOYSA-N 0 3 246.354 3.694 20 0 BHADHN CC(C)C1CCN([C@@H](C)c2cccnc2)CC1 ZINC000075833339 344792934 /nfs/dbraw/zinc/79/29/34/344792934.db2.gz PYKPOUAPPIMXAR-ZDUSSCGKSA-N 0 3 232.371 3.511 20 0 BHADHN CC(C)C1CCN([C@H](C)c2cccnc2)CC1 ZINC000075833340 344792965 /nfs/dbraw/zinc/79/29/65/344792965.db2.gz PYKPOUAPPIMXAR-CYBMUJFWSA-N 0 3 232.371 3.511 20 0 BHADHN CC[C@]1(C)CCCN([C@@H](C)c2cccnc2)C1 ZINC000075998366 344789833 /nfs/dbraw/zinc/78/98/33/344789833.db2.gz GQASPILYKRYDMZ-DZGCQCFKSA-N 0 3 232.371 3.655 20 0 BHADHN CC[C@@]1(C)CCCN([C@@H](C)c2cccnc2)C1 ZINC000075998368 344790155 /nfs/dbraw/zinc/79/01/55/344790155.db2.gz GQASPILYKRYDMZ-ZFWWWQNUSA-N 0 3 232.371 3.655 20 0 BHADHN C[C@@H](c1ccc(F)cc1F)N1CCC[C@H]1C ZINC000076114508 135011208 /nfs/dbraw/zinc/01/12/08/135011208.db2.gz QHLFQOZKBFAGCO-ZJUUUORDSA-N 0 3 225.282 3.510 20 0 BHADHN C[C@@H](c1ccc(F)cc1F)N1CCC[C@@H]1C ZINC000076114511 135010690 /nfs/dbraw/zinc/01/06/90/135010690.db2.gz QHLFQOZKBFAGCO-UWVGGRQHSA-N 0 3 225.282 3.510 20 0 BHADHN C[C@@H](c1cc(F)ccc1F)N1CCC[C@H]1C ZINC000076116534 135010425 /nfs/dbraw/zinc/01/04/25/135010425.db2.gz NWFNINUDQWZCTO-ZJUUUORDSA-N 0 3 225.282 3.510 20 0 BHADHN C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H]1C ZINC000076116536 135011477 /nfs/dbraw/zinc/01/14/77/135011477.db2.gz NWFNINUDQWZCTO-UWVGGRQHSA-N 0 3 225.282 3.510 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@H]1C ZINC000076116953 135010408 /nfs/dbraw/zinc/01/04/08/135010408.db2.gz RYFVNZIWMSJTRW-ZJUUUORDSA-N 0 3 225.282 3.510 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@H]1C ZINC000076116955 135011402 /nfs/dbraw/zinc/01/14/02/135011402.db2.gz RYFVNZIWMSJTRW-UWVGGRQHSA-N 0 3 225.282 3.510 20 0 BHADHN Clc1cccc(CCCNCc2ccco2)c1 ZINC000076287675 353333315 /nfs/dbraw/zinc/33/33/15/353333315.db2.gz UFCVJNCNBGAVER-UHFFFAOYSA-N 0 3 249.741 3.655 20 0 BHADHN CN(Cc1ccco1)[C@H]1CCCc2ccccc21 ZINC000076408117 325344326 /nfs/dbraw/zinc/34/43/26/325344326.db2.gz NTBTWKISDMPBNO-INIZCTEOSA-N 0 3 241.334 3.789 20 0 BHADHN Cc1ccsc1CN(C)[C@H]1C=CCCC1 ZINC000076668077 344805340 /nfs/dbraw/zinc/80/53/40/344805340.db2.gz VEZZEGVZMOGSBG-LBPRGKRZSA-N 0 3 221.369 3.597 20 0 BHADHN Cc1ccsc1CN(C)[C@@H]1C=CCCC1 ZINC000076668081 344805215 /nfs/dbraw/zinc/80/52/15/344805215.db2.gz VEZZEGVZMOGSBG-GFCCVEGCSA-N 0 3 221.369 3.597 20 0 BHADHN CCN(Cc1cccs1)[C@H]1C=CCCC1 ZINC000076668578 325352887 /nfs/dbraw/zinc/35/28/87/325352887.db2.gz LVXAZPCJSWXFOI-LBPRGKRZSA-N 0 3 221.369 3.679 20 0 BHADHN CCN(Cc1cccs1)[C@@H]1C=CCCC1 ZINC000076668582 325352642 /nfs/dbraw/zinc/35/26/42/325352642.db2.gz LVXAZPCJSWXFOI-GFCCVEGCSA-N 0 3 221.369 3.679 20 0 BHADHN Cc1cc(CN2CCC[C@@H]2C2CCCCC2)no1 ZINC000076749282 135048119 /nfs/dbraw/zinc/04/81/19/135048119.db2.gz JTAUFTIBIWXXIB-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1cc(CN2CCC[C@H]2C2CCCCC2)no1 ZINC000076749284 135048805 /nfs/dbraw/zinc/04/88/05/135048805.db2.gz JTAUFTIBIWXXIB-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN CCCN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000076784241 169277016 /nfs/dbraw/zinc/27/70/16/169277016.db2.gz OTWKRQWPGPBMIX-NSHDSACASA-N 0 3 246.379 3.871 20 0 BHADHN CCCN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000076784243 169287916 /nfs/dbraw/zinc/28/79/16/169287916.db2.gz OTWKRQWPGPBMIX-LLVKDONJSA-N 0 3 246.379 3.871 20 0 BHADHN Cc1nc(C)c(CN[C@@H](C)c2ccccc2)s1 ZINC000076865109 387887827 /nfs/dbraw/zinc/88/78/27/387887827.db2.gz VQOFYPUDDKWQHE-JTQLQIEISA-N 0 3 246.379 3.611 20 0 BHADHN Cc1nc(C)c(CN[C@H](C)c2ccccc2)s1 ZINC000076865111 387887057 /nfs/dbraw/zinc/88/70/57/387887057.db2.gz VQOFYPUDDKWQHE-SNVBAGLBSA-N 0 3 246.379 3.611 20 0 BHADHN CC(C)(NCc1cccs1)c1cccc(F)c1 ZINC000076902041 188310350 /nfs/dbraw/zinc/31/03/50/188310350.db2.gz TZGIQRCKSZJQKB-UHFFFAOYSA-N 0 3 249.354 3.912 20 0 BHADHN CC(C)(NCc1ccccc1)c1cccc(F)c1 ZINC000076902072 370364484 /nfs/dbraw/zinc/36/44/84/370364484.db2.gz IJHNASUWFJNBCP-UHFFFAOYSA-N 0 3 243.325 3.851 20 0 BHADHN CC(C)[C@H](NCc1cccs1)c1ccccn1 ZINC000076903274 641832164 /nfs/dbraw/zinc/83/21/64/641832164.db2.gz YGGONMRPJSGVHE-AWEZNQCLSA-N 0 3 246.379 3.630 20 0 BHADHN CC(C)[C@@H](NCc1cccs1)c1ccccn1 ZINC000076903283 641832350 /nfs/dbraw/zinc/83/23/50/641832350.db2.gz YGGONMRPJSGVHE-CQSZACIVSA-N 0 3 246.379 3.630 20 0 BHADHN CC(C)[C@H](NCc1ccccc1)c1ccccn1 ZINC000076903390 641145698 /nfs/dbraw/zinc/14/56/98/641145698.db2.gz IHZOTATUNGBNCE-INIZCTEOSA-N 0 3 240.350 3.569 20 0 BHADHN CC(C)[C@@H](NCc1ccccc1)c1ccccn1 ZINC000076903394 641146259 /nfs/dbraw/zinc/14/62/59/641146259.db2.gz IHZOTATUNGBNCE-MRXNPFEDSA-N 0 3 240.350 3.569 20 0 BHADHN FC(F)(F)CCN1CCC[C@H]1c1ccccc1 ZINC000077248299 344814079 /nfs/dbraw/zinc/81/40/79/344814079.db2.gz ITKKAEQJGYHGOS-LBPRGKRZSA-N 0 3 243.272 3.776 20 0 BHADHN FC(F)(F)CCN1CCC[C@@H]1c1ccccc1 ZINC000077248301 487845971 /nfs/dbraw/zinc/84/59/71/487845971.db2.gz ITKKAEQJGYHGOS-GFCCVEGCSA-N 0 3 243.272 3.776 20 0 BHADHN CC(C)CCN(CCC(C)C)Cc1ccon1 ZINC000077250609 368257035 /nfs/dbraw/zinc/25/70/35/368257035.db2.gz BRJMWLBPXWNQPR-UHFFFAOYSA-N 0 3 238.375 3.569 20 0 BHADHN FC(F)(F)CCN1CCC[C@H]1c1ccsc1 ZINC000077265640 344814700 /nfs/dbraw/zinc/81/47/00/344814700.db2.gz NEGXZDMVPHPKDV-JTQLQIEISA-N 0 3 249.301 3.837 20 0 BHADHN FC(F)(F)CCN1CCC[C@@H]1c1ccsc1 ZINC000077265644 344814754 /nfs/dbraw/zinc/81/47/54/344814754.db2.gz NEGXZDMVPHPKDV-SNVBAGLBSA-N 0 3 249.301 3.837 20 0 BHADHN Cc1ccc([C@@H](C)N(C)CCC(F)(F)F)cc1 ZINC000077266262 344814608 /nfs/dbraw/zinc/81/46/08/344814608.db2.gz GJEWZNYVXKKTLY-LLVKDONJSA-N 0 3 245.288 3.940 20 0 BHADHN Cc1ccc([C@H](C)N(C)CCC(F)(F)F)cc1 ZINC000077266266 344814562 /nfs/dbraw/zinc/81/45/62/344814562.db2.gz GJEWZNYVXKKTLY-NSHDSACASA-N 0 3 245.288 3.940 20 0 BHADHN CCCCCN(Cc1ccon1)[C@@H](C)CCC ZINC000077270884 325372033 /nfs/dbraw/zinc/37/20/33/325372033.db2.gz BAWTYIDSZGSXDD-ZDUSSCGKSA-N 0 3 238.375 3.855 20 0 BHADHN CCCCCN(Cc1ccon1)[C@H](C)CCC ZINC000077270891 325372070 /nfs/dbraw/zinc/37/20/70/325372070.db2.gz BAWTYIDSZGSXDD-CYBMUJFWSA-N 0 3 238.375 3.855 20 0 BHADHN c1cc(CN2CCC[C@@H]2CC2CCCCC2)no1 ZINC000077273197 370409490 /nfs/dbraw/zinc/40/94/90/370409490.db2.gz WEUYQZPHUADUBI-OAHLLOKOSA-N 0 3 248.370 3.609 20 0 BHADHN c1cc(CN2CCC[C@H]2CC2CCCCC2)no1 ZINC000077273202 370409674 /nfs/dbraw/zinc/40/96/74/370409674.db2.gz WEUYQZPHUADUBI-HNNXBMFYSA-N 0 3 248.370 3.609 20 0 BHADHN CC(C)(C)C1CCN(CCC(F)(F)F)CC1 ZINC000077316914 344816206 /nfs/dbraw/zinc/81/62/06/344816206.db2.gz TXLFMOREXUZWLJ-UHFFFAOYSA-N 0 3 237.309 3.697 20 0 BHADHN CC(C)N(Cc1nc2ccccc2o1)C1CCC1 ZINC000077357758 535120585 /nfs/dbraw/zinc/12/05/85/535120585.db2.gz VBWFFAQQYWIZIG-UHFFFAOYSA-N 0 3 244.338 3.591 20 0 BHADHN Cc1ccccc1CNC1(c2ccccc2)CC1 ZINC000077377853 344817441 /nfs/dbraw/zinc/81/74/41/344817441.db2.gz DSQWQKOIHYFJGT-UHFFFAOYSA-N 0 3 237.346 3.774 20 0 BHADHN Cc1cccc(CNC2(c3ccccc3)CC2)c1 ZINC000077378009 344817338 /nfs/dbraw/zinc/81/73/38/344817338.db2.gz WHPZIEUNYPQFJF-UHFFFAOYSA-N 0 3 237.346 3.774 20 0 BHADHN Fc1cccc(CNC2(c3ccccc3)CC2)c1 ZINC000077378172 344817277 /nfs/dbraw/zinc/81/72/77/344817277.db2.gz FEGKTGZDJMOTSB-UHFFFAOYSA-N 0 3 241.309 3.605 20 0 BHADHN Fc1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000077378634 344817729 /nfs/dbraw/zinc/81/77/29/344817729.db2.gz DDGPWURTKCWGIL-UHFFFAOYSA-N 0 3 241.309 3.605 20 0 BHADHN Cc1ccc(CN[C@@H](C)Cc2ccc(C)s2)o1 ZINC000078003595 135089340 /nfs/dbraw/zinc/08/93/40/135089340.db2.gz QVSATNMFNNEESV-JTQLQIEISA-N 0 3 249.379 3.679 20 0 BHADHN Cc1ccc(CN[C@H](C)Cc2ccc(C)s2)o1 ZINC000078003597 135089993 /nfs/dbraw/zinc/08/99/93/135089993.db2.gz QVSATNMFNNEESV-SNVBAGLBSA-N 0 3 249.379 3.679 20 0 BHADHN Cc1ccsc1CNCc1ccc(F)c(C)c1 ZINC000078303233 135118411 /nfs/dbraw/zinc/11/84/11/135118411.db2.gz JYKXNQYDWWXFMN-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1ccsc1CNCc1ccc(C)cc1C ZINC000078358601 135394110 /nfs/dbraw/zinc/39/41/10/135394110.db2.gz GYNVEOGBCTXRFS-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1ccsc1CNCc1cccc(C)c1C ZINC000078358613 325416064 /nfs/dbraw/zinc/41/60/64/325416064.db2.gz NWUPEGWFCQJLBP-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN CCC(C)(C)NCc1coc(-c2ccccc2)n1 ZINC000078514526 388504533 /nfs/dbraw/zinc/50/45/33/388504533.db2.gz OCPXXZGVBREVDR-UHFFFAOYSA-N 0 3 244.338 3.620 20 0 BHADHN CCCN(CCC(F)(F)F)Cc1ccccc1 ZINC000078720139 490221631 /nfs/dbraw/zinc/22/16/31/490221631.db2.gz NNATUQSYSDYMNY-UHFFFAOYSA-N 0 3 245.288 3.851 20 0 BHADHN CC(C)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000078721244 344900610 /nfs/dbraw/zinc/90/06/10/344900610.db2.gz CYTQSAOTDBULCM-AWEZNQCLSA-N 0 3 249.354 3.975 20 0 BHADHN CC(C)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000078721247 344900546 /nfs/dbraw/zinc/90/05/46/344900546.db2.gz CYTQSAOTDBULCM-CQSZACIVSA-N 0 3 249.354 3.975 20 0 BHADHN C[C@@H](c1ccccc1)N(C)CCC(F)(F)F ZINC000078729367 344102107 /nfs/dbraw/zinc/10/21/07/344102107.db2.gz HQIUJSFNBUIYDG-JTQLQIEISA-N 0 3 231.261 3.632 20 0 BHADHN C[C@H](c1ccccc1)N(C)CCC(F)(F)F ZINC000078729372 344102016 /nfs/dbraw/zinc/10/20/16/344102016.db2.gz HQIUJSFNBUIYDG-SNVBAGLBSA-N 0 3 231.261 3.632 20 0 BHADHN CCCCCN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000078774849 388685956 /nfs/dbraw/zinc/68/59/56/388685956.db2.gz ZULVNZWDEOYTHZ-HOCLYGCPSA-N 0 3 247.382 3.639 20 0 BHADHN CCCCCN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000078774852 388685615 /nfs/dbraw/zinc/68/56/15/388685615.db2.gz ZULVNZWDEOYTHZ-ZBFHGGJFSA-N 0 3 247.382 3.639 20 0 BHADHN CCCCCN(Cc1ccccc1OC)C1CC1 ZINC000078774989 344102898 /nfs/dbraw/zinc/10/28/98/344102898.db2.gz YRPXIOINDXBDPG-UHFFFAOYSA-N 0 3 247.382 3.850 20 0 BHADHN CCCCNCc1coc(-c2ccc(C)cc2)n1 ZINC000078792104 641954468 /nfs/dbraw/zinc/95/44/68/641954468.db2.gz VYFKGQALWDQDIJ-UHFFFAOYSA-N 0 3 244.338 3.540 20 0 BHADHN CC[C@@H](COC)N[C@@H](C)c1cc2ccccc2o1 ZINC000079710599 384511142 /nfs/dbraw/zinc/51/11/42/384511142.db2.gz PQYSPLLJRBJYJS-AAEUAGOBSA-N 0 3 247.338 3.508 20 0 BHADHN CC[C@H](COC)N[C@@H](C)c1cc2ccccc2o1 ZINC000079710605 384512129 /nfs/dbraw/zinc/51/21/29/384512129.db2.gz PQYSPLLJRBJYJS-WCQYABFASA-N 0 3 247.338 3.508 20 0 BHADHN CC[C@@H](COC)N[C@H](C)c1cc2ccccc2o1 ZINC000079710611 384511513 /nfs/dbraw/zinc/51/15/13/384511513.db2.gz PQYSPLLJRBJYJS-YPMHNXCESA-N 0 3 247.338 3.508 20 0 BHADHN CC[C@H](COC)N[C@H](C)c1cc2ccccc2o1 ZINC000079710616 384511372 /nfs/dbraw/zinc/51/13/72/384511372.db2.gz PQYSPLLJRBJYJS-DGCLKSJQSA-N 0 3 247.338 3.508 20 0 BHADHN Cc1ccccc1CN(C)[C@@H](C)c1cccnc1 ZINC000079876257 135363106 /nfs/dbraw/zinc/36/31/06/135363106.db2.gz GKBPYNRLTMDGAU-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccccc1CN(C)[C@H](C)c1cccnc1 ZINC000079876259 135362951 /nfs/dbraw/zinc/36/29/51/135362951.db2.gz GKBPYNRLTMDGAU-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cccc(CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000080026286 136374979 /nfs/dbraw/zinc/37/49/79/136374979.db2.gz SUIIKDPKIGFYAA-MRXNPFEDSA-N 0 3 240.350 3.660 20 0 BHADHN Cc1cccc(CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000080026291 136374968 /nfs/dbraw/zinc/37/49/68/136374968.db2.gz SUIIKDPKIGFYAA-INIZCTEOSA-N 0 3 240.350 3.660 20 0 BHADHN c1ccc2c(c1)nccc2N[C@H]1CC=CCC1 ZINC000080120378 388553134 /nfs/dbraw/zinc/55/31/34/388553134.db2.gz GEIJUQMJIOTSHU-LBPRGKRZSA-N 0 3 224.307 3.755 20 0 BHADHN c1ccc2c(c1)nccc2N[C@@H]1CC=CCC1 ZINC000080120385 388553128 /nfs/dbraw/zinc/55/31/28/388553128.db2.gz GEIJUQMJIOTSHU-GFCCVEGCSA-N 0 3 224.307 3.755 20 0 BHADHN Clc1ccccc1CN[C@H]1CC=CCC1 ZINC000080122520 388552912 /nfs/dbraw/zinc/55/29/12/388552912.db2.gz WEJZDTMVTZUSCM-LBPRGKRZSA-N 0 3 221.731 3.538 20 0 BHADHN Clc1ccccc1CN[C@@H]1CC=CCC1 ZINC000080122527 323825338 /nfs/dbraw/zinc/82/53/38/323825338.db2.gz WEJZDTMVTZUSCM-GFCCVEGCSA-N 0 3 221.731 3.538 20 0 BHADHN Fc1cccc(Cl)c1CN[C@H]1CC=CCC1 ZINC000080122969 388553087 /nfs/dbraw/zinc/55/30/87/388553087.db2.gz PHLXCDCXFKKURC-JTQLQIEISA-N 0 3 239.721 3.677 20 0 BHADHN Fc1cccc(Cl)c1CN[C@@H]1CC=CCC1 ZINC000080122975 388553287 /nfs/dbraw/zinc/55/32/87/388553287.db2.gz PHLXCDCXFKKURC-SNVBAGLBSA-N 0 3 239.721 3.677 20 0 BHADHN Cc1ccc(C[C@@H](C)N[C@@H](C)c2ccco2)s1 ZINC000080240267 388556046 /nfs/dbraw/zinc/55/60/46/388556046.db2.gz BAAVSDDTPOCFKV-PWSUYJOCSA-N 0 3 249.379 3.931 20 0 BHADHN Cc1ccc(C[C@H](C)N[C@@H](C)c2ccco2)s1 ZINC000080240272 388556164 /nfs/dbraw/zinc/55/61/64/388556164.db2.gz BAAVSDDTPOCFKV-JQWIXIFHSA-N 0 3 249.379 3.931 20 0 BHADHN Cc1ccc(C[C@@H](C)N[C@H](C)c2ccco2)s1 ZINC000080240275 325476885 /nfs/dbraw/zinc/47/68/85/325476885.db2.gz BAAVSDDTPOCFKV-ZYHUDNBSSA-N 0 3 249.379 3.931 20 0 BHADHN Cc1ccc(C[C@H](C)N[C@H](C)c2ccco2)s1 ZINC000080240278 388555670 /nfs/dbraw/zinc/55/56/70/388555670.db2.gz BAAVSDDTPOCFKV-CMPLNLGQSA-N 0 3 249.379 3.931 20 0 BHADHN Cc1ccoc1CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000080248229 345127539 /nfs/dbraw/zinc/12/75/39/345127539.db2.gz RCQVHAQGBOXSJP-KGLIPLIRSA-N 0 3 243.350 3.870 20 0 BHADHN Cc1ccoc1CN[C@H](C)[C@@H](C)c1ccccc1 ZINC000080248231 345127192 /nfs/dbraw/zinc/12/71/92/345127192.db2.gz RCQVHAQGBOXSJP-ZIAGYGMSSA-N 0 3 243.350 3.870 20 0 BHADHN Cc1ccoc1CN[C@@H](C)[C@H](C)c1ccccc1 ZINC000080248234 345127591 /nfs/dbraw/zinc/12/75/91/345127591.db2.gz RCQVHAQGBOXSJP-KBPBESRZSA-N 0 3 243.350 3.870 20 0 BHADHN Cc1ccoc1CN[C@H](C)[C@H](C)c1ccccc1 ZINC000080248238 345127267 /nfs/dbraw/zinc/12/72/67/345127267.db2.gz RCQVHAQGBOXSJP-UONOGXRCSA-N 0 3 243.350 3.870 20 0 BHADHN Cc1ccc(CN[C@@H](C)[C@@H](C)c2ccccc2)o1 ZINC000080248257 388556041 /nfs/dbraw/zinc/55/60/41/388556041.db2.gz GTBBXHLBPFLXTF-KGLIPLIRSA-N 0 3 243.350 3.870 20 0 BHADHN Cc1ccc(CN[C@H](C)[C@@H](C)c2ccccc2)o1 ZINC000080248260 388555685 /nfs/dbraw/zinc/55/56/85/388555685.db2.gz GTBBXHLBPFLXTF-ZIAGYGMSSA-N 0 3 243.350 3.870 20 0 BHADHN Cc1ccc(CN[C@@H](C)[C@H](C)c2ccccc2)o1 ZINC000080248265 388556315 /nfs/dbraw/zinc/55/63/15/388556315.db2.gz GTBBXHLBPFLXTF-KBPBESRZSA-N 0 3 243.350 3.870 20 0 BHADHN Cc1ccc(CN[C@H](C)[C@H](C)c2ccccc2)o1 ZINC000080248267 325476796 /nfs/dbraw/zinc/47/67/96/325476796.db2.gz GTBBXHLBPFLXTF-UONOGXRCSA-N 0 3 243.350 3.870 20 0 BHADHN C[C@@H](CN[C@@H](C)c1nccs1)c1ccccc1 ZINC000080267500 384541716 /nfs/dbraw/zinc/54/17/16/384541716.db2.gz ICFROCDBFQPAEP-RYUDHWBXSA-N 0 3 246.379 3.597 20 0 BHADHN C[C@H](CN[C@@H](C)c1nccs1)c1ccccc1 ZINC000080267503 176682850 /nfs/dbraw/zinc/68/28/50/176682850.db2.gz ICFROCDBFQPAEP-NEPJUHHUSA-N 0 3 246.379 3.597 20 0 BHADHN C[C@@H](CN[C@H](C)c1nccs1)c1ccccc1 ZINC000080289636 384547800 /nfs/dbraw/zinc/54/78/00/384547800.db2.gz ICFROCDBFQPAEP-NWDGAFQWSA-N 0 3 246.379 3.597 20 0 BHADHN C[C@@H](NC[C@@H](C)c1ccccc1)c1nccs1 ZINC000080289639 384546779 /nfs/dbraw/zinc/54/67/79/384546779.db2.gz ICFROCDBFQPAEP-VXGBXAGGSA-N 0 3 246.379 3.597 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1cc(F)ccc1F ZINC000080430424 490637897 /nfs/dbraw/zinc/63/78/97/490637897.db2.gz NQOYDIIZZJKOHN-SCVCMEIPSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1cc(F)ccc1F ZINC000080430435 490637876 /nfs/dbraw/zinc/63/78/76/490637876.db2.gz NQOYDIIZZJKOHN-JFGNBEQYSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1ccc(F)cc1F ZINC000080432124 323876452 /nfs/dbraw/zinc/87/64/52/323876452.db2.gz LICGJCUMCLSXLM-SCVCMEIPSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CC[C@H](C)C1)c1ccc(F)cc1F ZINC000080432132 368506527 /nfs/dbraw/zinc/50/65/27/368506527.db2.gz LICGJCUMCLSXLM-NHCYSSNCSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1F ZINC000080432136 388042912 /nfs/dbraw/zinc/04/29/12/388042912.db2.gz LICGJCUMCLSXLM-JFGNBEQYSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H](C)C1)c1ccc(F)cc1F ZINC000080432142 368507443 /nfs/dbraw/zinc/50/74/43/368507443.db2.gz LICGJCUMCLSXLM-JBLDHEPKSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1c(F)cccc1F ZINC000080457453 388559122 /nfs/dbraw/zinc/55/91/22/388559122.db2.gz QYVMAIRMMRIRGP-VWYCJHECSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1c(F)cccc1F ZINC000080457459 325481183 /nfs/dbraw/zinc/48/11/83/325481183.db2.gz QYVMAIRMMRIRGP-OUAUKWLOSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@H](NCc2ccc(F)cc2F)C1 ZINC000080460416 325481188 /nfs/dbraw/zinc/48/11/88/325481188.db2.gz YVRDDGWJXVXXBB-MFKMUULPSA-N 0 3 239.309 3.633 20 0 BHADHN CC[C@@H]1CC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000080460424 325481177 /nfs/dbraw/zinc/48/11/77/325481177.db2.gz YVRDDGWJXVXXBB-ZWNOBZJWSA-N 0 3 239.309 3.633 20 0 BHADHN CC[C@@H]1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000080461186 325481512 /nfs/dbraw/zinc/48/15/12/325481512.db2.gz VEGVHMXACLITSL-ZWNOBZJWSA-N 0 3 239.309 3.633 20 0 BHADHN CC[C@H]1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000080461189 325481503 /nfs/dbraw/zinc/48/15/03/325481503.db2.gz VEGVHMXACLITSL-GXFFZTMASA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H](NCc1cc[nH]c1)c1cccc(Cl)c1 ZINC000080773309 384524084 /nfs/dbraw/zinc/52/40/84/384524084.db2.gz WRXLZPDBUQFHHD-JTQLQIEISA-N 0 3 234.730 3.519 20 0 BHADHN C[C@@H](NCc1cc[nH]c1)c1cccc(Cl)c1 ZINC000080773311 384523982 /nfs/dbraw/zinc/52/39/82/384523982.db2.gz WRXLZPDBUQFHHD-SNVBAGLBSA-N 0 3 234.730 3.519 20 0 BHADHN CC(C)[C@H](NCc1cc[nH]c1)c1ccccc1 ZINC000080773480 188312389 /nfs/dbraw/zinc/31/23/89/188312389.db2.gz SGBSQXQFMWZQNZ-HNNXBMFYSA-N 0 3 228.339 3.502 20 0 BHADHN CC(C)[C@@H](NCc1cc[nH]c1)c1ccccc1 ZINC000080773482 384583403 /nfs/dbraw/zinc/58/34/03/384583403.db2.gz SGBSQXQFMWZQNZ-OAHLLOKOSA-N 0 3 228.339 3.502 20 0 BHADHN CC(C)C[C@H](NCc1cc[nH]c1)c1ccccc1 ZINC000080773546 384582225 /nfs/dbraw/zinc/58/22/25/384582225.db2.gz SQJVPIFMFXBTOR-INIZCTEOSA-N 0 3 242.366 3.892 20 0 BHADHN CC(C)C[C@@H](NCc1cc[nH]c1)c1ccccc1 ZINC000080773549 384581970 /nfs/dbraw/zinc/58/19/70/384581970.db2.gz SQJVPIFMFXBTOR-MRXNPFEDSA-N 0 3 242.366 3.892 20 0 BHADHN C[C@H](NCc1cc[nH]c1)c1cc2ccccc2o1 ZINC000080773577 388000684 /nfs/dbraw/zinc/00/06/84/388000684.db2.gz DNQLAJOASQOYDQ-NSHDSACASA-N 0 3 240.306 3.612 20 0 BHADHN C[C@@H](NCc1cc[nH]c1)c1cc2ccccc2o1 ZINC000080773580 388000839 /nfs/dbraw/zinc/00/08/39/388000839.db2.gz DNQLAJOASQOYDQ-LLVKDONJSA-N 0 3 240.306 3.612 20 0 BHADHN Cc1cc([C@@H](C)NCc2cc[nH]c2)c(C)s1 ZINC000080773681 178228328 /nfs/dbraw/zinc/22/83/28/178228328.db2.gz YUWSXWCKNIKIFZ-SNVBAGLBSA-N 0 3 234.368 3.544 20 0 BHADHN Cc1cc([C@H](C)NCc2cc[nH]c2)c(C)s1 ZINC000080773683 178250131 /nfs/dbraw/zinc/25/01/31/178250131.db2.gz YUWSXWCKNIKIFZ-JTQLQIEISA-N 0 3 234.368 3.544 20 0 BHADHN CC(C)(C)[C@H](NCc1cc[nH]c1)c1ccccc1 ZINC000080778850 384583203 /nfs/dbraw/zinc/58/32/03/384583203.db2.gz SVQZDMIZJRTUDG-OAHLLOKOSA-N 0 3 242.366 3.892 20 0 BHADHN CC(C)(C)[C@@H](NCc1cc[nH]c1)c1ccccc1 ZINC000080778853 384582674 /nfs/dbraw/zinc/58/26/74/384582674.db2.gz SVQZDMIZJRTUDG-HNNXBMFYSA-N 0 3 242.366 3.892 20 0 BHADHN C[C@@H](c1ccccc1)N(C)Cc1cccc(O)c1 ZINC000080922986 176020294 /nfs/dbraw/zinc/02/02/94/176020294.db2.gz XBFHTRXYIIWLDA-ZDUSSCGKSA-N 0 3 241.334 3.585 20 0 BHADHN C[C@H](c1ccccc1)N(C)Cc1cccc(O)c1 ZINC000080922990 177038377 /nfs/dbraw/zinc/03/83/77/177038377.db2.gz XBFHTRXYIIWLDA-CYBMUJFWSA-N 0 3 241.334 3.585 20 0 BHADHN CCCC[N@@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000080931737 388564324 /nfs/dbraw/zinc/56/43/24/388564324.db2.gz CTQDAHZVZAKZML-LBPRGKRZSA-N 0 3 221.344 3.575 20 0 BHADHN CCCC[N@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000080931737 388564323 /nfs/dbraw/zinc/56/43/23/388564323.db2.gz CTQDAHZVZAKZML-LBPRGKRZSA-N 0 3 221.344 3.575 20 0 BHADHN CCCC[N@@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000080931740 388564373 /nfs/dbraw/zinc/56/43/73/388564373.db2.gz CTQDAHZVZAKZML-GFCCVEGCSA-N 0 3 221.344 3.575 20 0 BHADHN CCCC[N@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000080931740 388564372 /nfs/dbraw/zinc/56/43/72/388564372.db2.gz CTQDAHZVZAKZML-GFCCVEGCSA-N 0 3 221.344 3.575 20 0 BHADHN CC(C)[C@@H](C)CNCc1c(F)cccc1Cl ZINC000081044775 388566040 /nfs/dbraw/zinc/56/60/40/388566040.db2.gz CFFCIQDACGSCPD-JTQLQIEISA-N 0 3 243.753 3.861 20 0 BHADHN CC(C)[C@H](C)CNCc1c(F)cccc1Cl ZINC000081044780 325488986 /nfs/dbraw/zinc/48/89/86/325488986.db2.gz CFFCIQDACGSCPD-SNVBAGLBSA-N 0 3 243.753 3.861 20 0 BHADHN CC1(C)CCN1Cc1ccc(C(F)(F)F)cc1 ZINC000081045716 345459628 /nfs/dbraw/zinc/45/96/28/345459628.db2.gz ISEYTJAWGXEUHY-UHFFFAOYSA-N 0 3 243.272 3.690 20 0 BHADHN CC(C)[C@@H](C)CN[C@@H](C)c1cc(F)ccc1F ZINC000081045902 388567256 /nfs/dbraw/zinc/56/72/56/388567256.db2.gz GDAXPOMHYFGQLQ-QWRGUYRKSA-N 0 3 241.325 3.908 20 0 BHADHN CC(C)[C@H](C)CN[C@@H](C)c1cc(F)ccc1F ZINC000081045905 388566512 /nfs/dbraw/zinc/56/65/12/388566512.db2.gz GDAXPOMHYFGQLQ-MNOVXSKESA-N 0 3 241.325 3.908 20 0 BHADHN CC(C)[C@@H](C)CN[C@H](C)c1cc(F)ccc1F ZINC000081045907 325489350 /nfs/dbraw/zinc/48/93/50/325489350.db2.gz GDAXPOMHYFGQLQ-WDEREUQCSA-N 0 3 241.325 3.908 20 0 BHADHN CC(C)[C@H](C)CN[C@H](C)c1cc(F)ccc1F ZINC000081045909 388566607 /nfs/dbraw/zinc/56/66/07/388566607.db2.gz GDAXPOMHYFGQLQ-GHMZBOCLSA-N 0 3 241.325 3.908 20 0 BHADHN Cc1nc([C@@H](C)NC[C@@H](C)C(C)C)c(C)s1 ZINC000081046000 491133925 /nfs/dbraw/zinc/13/39/25/491133925.db2.gz RBCXCWDSCWRWLI-NXEZZACHSA-N 0 3 240.416 3.703 20 0 BHADHN Cc1nc([C@H](C)NC[C@@H](C)C(C)C)c(C)s1 ZINC000081046002 491133910 /nfs/dbraw/zinc/13/39/10/491133910.db2.gz RBCXCWDSCWRWLI-ZJUUUORDSA-N 0 3 240.416 3.703 20 0 BHADHN Cc1nc([C@@H](C)NC[C@H](C)C(C)C)c(C)s1 ZINC000081046003 491133920 /nfs/dbraw/zinc/13/39/20/491133920.db2.gz RBCXCWDSCWRWLI-VHSXEESVSA-N 0 3 240.416 3.703 20 0 BHADHN Cc1nc([C@H](C)NC[C@H](C)C(C)C)c(C)s1 ZINC000081046006 491133901 /nfs/dbraw/zinc/13/39/01/491133901.db2.gz RBCXCWDSCWRWLI-UWVGGRQHSA-N 0 3 240.416 3.703 20 0 BHADHN CC(C)[C@@H](C)CNc1ccnc2ccccc21 ZINC000081070108 397924784 /nfs/dbraw/zinc/92/47/84/397924784.db2.gz CGWDUVKDMSEMOA-LBPRGKRZSA-N 0 3 228.339 3.939 20 0 BHADHN CC(C)[C@H](C)CNc1ccnc2ccccc21 ZINC000081070110 322813066 /nfs/dbraw/zinc/81/30/66/322813066.db2.gz CGWDUVKDMSEMOA-GFCCVEGCSA-N 0 3 228.339 3.939 20 0 BHADHN CCC(CC)(CC)NCc1nc2ccccc2o1 ZINC000081156745 325491955 /nfs/dbraw/zinc/49/19/55/325491955.db2.gz QAQYBAGMJUVUHI-UHFFFAOYSA-N 0 3 246.354 3.886 20 0 BHADHN CC(C)Oc1ccc(CN2CCC23CCC3)cc1 ZINC000081515714 345482026 /nfs/dbraw/zinc/48/20/26/345482026.db2.gz CJQKKHBSQZEJFZ-UHFFFAOYSA-N 0 3 245.366 3.602 20 0 BHADHN CC(C)Oc1ccccc1CN1CCC12CCC2 ZINC000081545338 345477928 /nfs/dbraw/zinc/47/79/28/345477928.db2.gz HYERGMGDMIWAQW-UHFFFAOYSA-N 0 3 245.366 3.602 20 0 BHADHN Clc1ccccc1CCN1CCC12CCC2 ZINC000081545578 345478043 /nfs/dbraw/zinc/47/80/43/345478043.db2.gz RBGBUTGTDUPYMI-UHFFFAOYSA-N 0 3 235.758 3.511 20 0 BHADHN CC(C)CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081605289 345486268 /nfs/dbraw/zinc/48/62/68/345486268.db2.gz LQLVTCZLAMWSTJ-CYBMUJFWSA-N 0 3 223.747 3.743 20 0 BHADHN CC(C)CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000081605293 345486087 /nfs/dbraw/zinc/48/60/87/345486087.db2.gz LQLVTCZLAMWSTJ-ZDUSSCGKSA-N 0 3 223.747 3.743 20 0 BHADHN Cc1nc(CN(C)C2CCCCC2)sc1C ZINC000081643227 388587379 /nfs/dbraw/zinc/58/73/79/388587379.db2.gz NJGYPLIJJQUJHH-UHFFFAOYSA-N 0 3 238.400 3.524 20 0 BHADHN CCCCCN(Cc1nc(C)cs1)C(C)C ZINC000081648977 388588180 /nfs/dbraw/zinc/58/81/80/388588180.db2.gz HDRRKCGAOXFSPB-UHFFFAOYSA-N 0 3 240.416 3.852 20 0 BHADHN CC(C)CCCCCCNCc1nccs1 ZINC000082393808 631406316 /nfs/dbraw/zinc/40/63/16/631406316.db2.gz IXWGFOMIRNUUEK-UHFFFAOYSA-N 0 3 240.416 3.839 20 0 BHADHN CC[C@H](NCc1nccs1)C1CCCCC1 ZINC000082394929 347465661 /nfs/dbraw/zinc/46/56/61/347465661.db2.gz DVEFLOVQSFYQDI-LBPRGKRZSA-N 0 3 238.400 3.592 20 0 BHADHN CC[C@@H](NCc1nccs1)C1CCCCC1 ZINC000082394931 347465819 /nfs/dbraw/zinc/46/58/19/347465819.db2.gz DVEFLOVQSFYQDI-GFCCVEGCSA-N 0 3 238.400 3.592 20 0 BHADHN CC(C)CC(CC(C)C)NCc1cscn1 ZINC000082424865 322824376 /nfs/dbraw/zinc/82/43/76/322824376.db2.gz NEROQWSLLHCOEA-UHFFFAOYSA-N 0 3 240.416 3.694 20 0 BHADHN CC(C)(C)CNCc1nc(C(C)(C)C)cs1 ZINC000082433047 518670876 /nfs/dbraw/zinc/67/08/76/518670876.db2.gz ITDGORPILXGTMS-UHFFFAOYSA-N 0 3 240.416 3.576 20 0 BHADHN CCN[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000082509031 170149280 /nfs/dbraw/zinc/14/92/80/170149280.db2.gz XSJUNRCVEVEZJP-CQSZACIVSA-N 0 3 245.366 3.823 20 0 BHADHN CCN[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000082509032 170165707 /nfs/dbraw/zinc/16/57/07/170165707.db2.gz XSJUNRCVEVEZJP-AWEZNQCLSA-N 0 3 245.366 3.823 20 0 BHADHN CCNCc1c(Cl)cccc1SC(C)C ZINC000082616228 388618624 /nfs/dbraw/zinc/61/86/24/388618624.db2.gz AALDLBOHFYVPPZ-UHFFFAOYSA-N 0 3 243.803 3.950 20 0 BHADHN CC1(CNCc2ccc(Cl)o2)CCCC1 ZINC000082619049 384437060 /nfs/dbraw/zinc/43/70/60/384437060.db2.gz ZOMBQMMOZNGNKD-UHFFFAOYSA-N 0 3 227.735 3.603 20 0 BHADHN Cc1nc([C@@H](C)NCC2(C)CCCC2)cs1 ZINC000082619087 388037466 /nfs/dbraw/zinc/03/74/66/388037466.db2.gz RTXWAFCTWJFBAF-SNVBAGLBSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1nc([C@H](C)NCC2(C)CCCC2)cs1 ZINC000082619088 388037742 /nfs/dbraw/zinc/03/77/42/388037742.db2.gz RTXWAFCTWJFBAF-JTQLQIEISA-N 0 3 238.400 3.682 20 0 BHADHN Cc1ccc([C@@H](C)NCC2(C)CCCC2)o1 ZINC000082619131 384437199 /nfs/dbraw/zinc/43/71/99/384437199.db2.gz JTFGJQWQYRXKGE-GFCCVEGCSA-N 0 3 221.344 3.819 20 0 BHADHN Cc1ccc([C@H](C)NCC2(C)CCCC2)o1 ZINC000082619132 384439658 /nfs/dbraw/zinc/43/96/58/384439658.db2.gz JTFGJQWQYRXKGE-LBPRGKRZSA-N 0 3 221.344 3.819 20 0 BHADHN C[C@H](NCC1(C)CCCC1)c1ccco1 ZINC000082625273 384249464 /nfs/dbraw/zinc/24/94/64/384249464.db2.gz SRVDJRWPZDZZRR-NSHDSACASA-N 0 3 207.317 3.511 20 0 BHADHN C[C@@H](NCC1(C)CCCC1)c1ccco1 ZINC000082625274 384251037 /nfs/dbraw/zinc/25/10/37/384251037.db2.gz SRVDJRWPZDZZRR-LLVKDONJSA-N 0 3 207.317 3.511 20 0 BHADHN CCc1ccc(CNCC2(C)CCCC2)o1 ZINC000082625285 325545913 /nfs/dbraw/zinc/54/59/13/325545913.db2.gz FJARDQACRYVRRD-UHFFFAOYSA-N 0 3 221.344 3.512 20 0 BHADHN Cc1csc(CN[C@@H](C)CCCC(C)C)n1 ZINC000082725358 388040316 /nfs/dbraw/zinc/04/03/16/388040316.db2.gz JKGGCDGEVUXBOV-NSHDSACASA-N 0 3 240.416 3.756 20 0 BHADHN Cc1csc(CN[C@H](C)CCCC(C)C)n1 ZINC000082725359 388040801 /nfs/dbraw/zinc/04/08/01/388040801.db2.gz JKGGCDGEVUXBOV-LLVKDONJSA-N 0 3 240.416 3.756 20 0 BHADHN Cc1csc(CNCCC2CCCCC2)n1 ZINC000082725375 388040983 /nfs/dbraw/zinc/04/09/83/388040983.db2.gz JAHIXGYUBONVCG-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN Cc1csc(CNC(C)(C)CC(C)(C)C)n1 ZINC000082725379 388040269 /nfs/dbraw/zinc/04/02/69/388040269.db2.gz VDANCMPOFZMERY-UHFFFAOYSA-N 0 3 240.416 3.756 20 0 BHADHN CCN[C@@H](CC)c1cccc(Cl)c1F ZINC000082816080 384266694 /nfs/dbraw/zinc/26/66/94/384266694.db2.gz UAGGHADBYVDUJO-JTQLQIEISA-N 0 3 215.699 3.540 20 0 BHADHN CCN[C@H](CC)c1cccc(Cl)c1F ZINC000082816081 384268303 /nfs/dbraw/zinc/26/83/03/384268303.db2.gz UAGGHADBYVDUJO-SNVBAGLBSA-N 0 3 215.699 3.540 20 0 BHADHN CCCN[C@@H](CC)c1cccc(Cl)c1F ZINC000082816106 535186384 /nfs/dbraw/zinc/18/63/84/535186384.db2.gz UWIBSQMOEJRCPD-NSHDSACASA-N 0 3 229.726 3.930 20 0 BHADHN CCCN[C@H](CC)c1cccc(Cl)c1F ZINC000082816107 343466698 /nfs/dbraw/zinc/46/66/98/343466698.db2.gz UWIBSQMOEJRCPD-LLVKDONJSA-N 0 3 229.726 3.930 20 0 BHADHN C[C@@H]1CC(NCc2ccc(Cl)o2)C[C@@H](C)C1 ZINC000082829204 256558872 /nfs/dbraw/zinc/55/88/72/256558872.db2.gz RDCZVHYEYYYJCC-UWVGGRQHSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@H]1CC(NCc2ccc(Cl)o2)C[C@H](C)C1 ZINC000082829205 384718057 /nfs/dbraw/zinc/71/80/57/384718057.db2.gz RDCZVHYEYYYJCC-NXEZZACHSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@H](NC1C[C@@H](C)C[C@H](C)C1)c1nccs1 ZINC000082830660 387388082 /nfs/dbraw/zinc/38/80/82/387388082.db2.gz KROHGOTYSZUBRC-DCAQKATOSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](NC1C[C@H](C)C[C@@H](C)C1)c1nccs1 ZINC000082830661 348823129 /nfs/dbraw/zinc/82/31/29/348823129.db2.gz KROHGOTYSZUBRC-MXWKQRLJSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](C)[C@@H](C)C1)c1nccs1 ZINC000082837694 387388554 /nfs/dbraw/zinc/38/85/54/387388554.db2.gz DHLJZBKYGVPILZ-RHYQMDGZSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1nccs1 ZINC000082837698 388041759 /nfs/dbraw/zinc/04/17/59/388041759.db2.gz DHLJZBKYGVPILZ-NOOOWODRSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1nccs1 ZINC000082837699 388041246 /nfs/dbraw/zinc/04/12/46/388041246.db2.gz DHLJZBKYGVPILZ-FIQHERPVSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@@H]1CC[C@H](NCc2ccc(Cl)o2)C[C@@H]1C ZINC000082845868 384723034 /nfs/dbraw/zinc/72/30/34/384723034.db2.gz DXNSHNVPXXKWEQ-VWYCJHECSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@@H]1CC[C@@H](NCc2ccc(Cl)o2)C[C@@H]1C ZINC000082845872 384723297 /nfs/dbraw/zinc/72/32/97/384723297.db2.gz DXNSHNVPXXKWEQ-OUAUKWLOSA-N 0 3 241.762 3.847 20 0 BHADHN CC[C@@H]1CCC[C@H](NCc2ccc(Cl)o2)C1 ZINC000082847454 384721682 /nfs/dbraw/zinc/72/16/82/384721682.db2.gz ZRXVGOROIOLRLM-MNOVXSKESA-N 0 3 241.762 3.991 20 0 BHADHN CC[C@H]1CCC[C@H](NCc2ccc(Cl)o2)C1 ZINC000082847455 384723666 /nfs/dbraw/zinc/72/36/66/384723666.db2.gz ZRXVGOROIOLRLM-QWRGUYRKSA-N 0 3 241.762 3.991 20 0 BHADHN CC[C@@H]1CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000082847456 384722212 /nfs/dbraw/zinc/72/22/12/384722212.db2.gz ZRXVGOROIOLRLM-GHMZBOCLSA-N 0 3 241.762 3.991 20 0 BHADHN CC[C@H]1CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000082847457 384723564 /nfs/dbraw/zinc/72/35/64/384723564.db2.gz ZRXVGOROIOLRLM-WDEREUQCSA-N 0 3 241.762 3.991 20 0 BHADHN C[C@H](N[C@H]1CCC[C@@H](C)[C@H]1C)c1nccs1 ZINC000082859630 387392777 /nfs/dbraw/zinc/39/27/77/387392777.db2.gz RYHDPTJQMZVAAR-WYUUTHIRSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)c1nccs1 ZINC000082859632 348855003 /nfs/dbraw/zinc/85/50/03/348855003.db2.gz RYHDPTJQMZVAAR-WISYIIOYSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)c1nccs1 ZINC000082859633 348855018 /nfs/dbraw/zinc/85/50/18/348855018.db2.gz RYHDPTJQMZVAAR-WHOHXGKFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](C)C[C@H]1C)c1nccs1 ZINC000082859634 388043027 /nfs/dbraw/zinc/04/30/27/388043027.db2.gz CJMMQWQVPPPECM-WYUUTHIRSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)C[C@H]1C)c1nccs1 ZINC000082859636 387392460 /nfs/dbraw/zinc/39/24/60/387392460.db2.gz CJMMQWQVPPPECM-WISYIIOYSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)c1nccs1 ZINC000082859638 384722803 /nfs/dbraw/zinc/72/28/03/384722803.db2.gz XPOWOMMLZUIRSI-NOOOWODRSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1C[C@H](C)CC[C@H]1C)c1nccs1 ZINC000082859640 387392803 /nfs/dbraw/zinc/39/28/03/387392803.db2.gz XPOWOMMLZUIRSI-WISYIIOYSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](NCCC1=CCCCC1)c1nccs1 ZINC000083142381 384745250 /nfs/dbraw/zinc/74/52/50/384745250.db2.gz SXBOWVMGAVUMJX-NSHDSACASA-N 0 3 236.384 3.684 20 0 BHADHN C[C@@H](NCCC1=CCCCC1)c1nccs1 ZINC000083142382 384744290 /nfs/dbraw/zinc/74/42/90/384744290.db2.gz SXBOWVMGAVUMJX-LLVKDONJSA-N 0 3 236.384 3.684 20 0 BHADHN C[C@H](NCCC1CCCCC1)c1nccs1 ZINC000083143043 388046043 /nfs/dbraw/zinc/04/60/43/388046043.db2.gz DRNXIFGOJHCAFY-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN C[C@@H](NCCC1CCCCC1)c1nccs1 ZINC000083143044 135445086 /nfs/dbraw/zinc/44/50/86/135445086.db2.gz DRNXIFGOJHCAFY-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN C[C@H](NC[C@H]1CCCC[C@H]1C)c1nccs1 ZINC000083143173 388045503 /nfs/dbraw/zinc/04/55/03/388045503.db2.gz IGACOIGIJVIQBH-GRYCIOLGSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@H]1CCCC[C@@H]1C)c1nccs1 ZINC000083143175 388046073 /nfs/dbraw/zinc/04/60/73/388046073.db2.gz IGACOIGIJVIQBH-SDDRHHMPSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@@H]1CCCC[C@H]1C)c1nccs1 ZINC000083143180 388045398 /nfs/dbraw/zinc/04/53/98/388045398.db2.gz IGACOIGIJVIQBH-WOPDTQHZSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@@H]1CCCC[C@@H]1C)c1nccs1 ZINC000083143181 388046183 /nfs/dbraw/zinc/04/61/83/388046183.db2.gz IGACOIGIJVIQBH-SRVKXCTJSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NCC1CCC(C)CC1)c1nccs1 ZINC000083143381 388046244 /nfs/dbraw/zinc/04/62/44/388046244.db2.gz OUOSGFWOGIXPGY-CXQJBGSLSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@@H](NCC1CCC(C)CC1)c1nccs1 ZINC000083143382 388046216 /nfs/dbraw/zinc/04/62/16/388046216.db2.gz OUOSGFWOGIXPGY-MOENNCHZSA-N 0 3 238.400 3.620 20 0 BHADHN Fc1c(Cl)cccc1CNC1CCCC1 ZINC000083355786 384761065 /nfs/dbraw/zinc/76/10/65/384761065.db2.gz DRDJCMBGYZQLBA-UHFFFAOYSA-N 0 3 227.710 3.511 20 0 BHADHN CC(C)CCNCc1cc(Cl)ccc1F ZINC000083357089 387404103 /nfs/dbraw/zinc/40/41/03/387404103.db2.gz DFMVLMVLMOLPPN-UHFFFAOYSA-N 0 3 229.726 3.615 20 0 BHADHN CCCCCNCc1ccc(Cl)cc1F ZINC000083357090 387404646 /nfs/dbraw/zinc/40/46/46/387404646.db2.gz UILMMNQCPSXHHH-UHFFFAOYSA-N 0 3 229.726 3.759 20 0 BHADHN CCCCCNCc1cccc(Cl)c1F ZINC000083357091 384762622 /nfs/dbraw/zinc/76/26/22/384762622.db2.gz NGFXSUKRKWYQGN-UHFFFAOYSA-N 0 3 229.726 3.759 20 0 BHADHN CCCCCNCc1cc(Cl)ccc1F ZINC000083357093 387404807 /nfs/dbraw/zinc/40/48/07/387404807.db2.gz JZUQCJBNLJJCEZ-UHFFFAOYSA-N 0 3 229.726 3.759 20 0 BHADHN CC(C)CCNCc1ccc(Cl)cc1F ZINC000083357095 387404412 /nfs/dbraw/zinc/40/44/12/387404412.db2.gz OEVLGOOPGMHWGU-UHFFFAOYSA-N 0 3 229.726 3.615 20 0 BHADHN CC(C)CCNCc1cccc(Cl)c1F ZINC000083357096 384762767 /nfs/dbraw/zinc/76/27/67/384762767.db2.gz UPSWTKHHKKXJRM-UHFFFAOYSA-N 0 3 229.726 3.615 20 0 BHADHN Cc1cccc(C)c1CNCc1cccs1 ZINC000083358363 179037688 /nfs/dbraw/zinc/03/76/88/179037688.db2.gz DCUAPQOUPDZKSW-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Clc1cnccc1CNC1CCCCCC1 ZINC000083366589 384774438 /nfs/dbraw/zinc/77/44/38/384774438.db2.gz BRZQTAILPWLZEK-UHFFFAOYSA-N 0 3 238.762 3.547 20 0 BHADHN Cc1ccccc1CNCc1c(C)cccc1C ZINC000083367369 179283044 /nfs/dbraw/zinc/28/30/44/179283044.db2.gz IYQGEOOWFCAOBR-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN c1csc(CNCc2cccc3cc[nH]c32)c1 ZINC000083370737 384766808 /nfs/dbraw/zinc/76/68/08/384766808.db2.gz YYKSAXUGRNEILQ-UHFFFAOYSA-N 0 3 242.347 3.519 20 0 BHADHN Fc1cc(F)c(CNC2CCCCC2)cc1F ZINC000083371413 387405473 /nfs/dbraw/zinc/40/54/73/387405473.db2.gz JFRWURPUSGXTDT-UHFFFAOYSA-N 0 3 243.272 3.526 20 0 BHADHN Fc1ccc(CNC2CCCCC2)c(F)c1F ZINC000083371414 487909738 /nfs/dbraw/zinc/90/97/38/487909738.db2.gz HWYPCWLPZMDJQZ-UHFFFAOYSA-N 0 3 243.272 3.526 20 0 BHADHN Fc1cc(F)c(CNC2CCCCC2)c(F)c1 ZINC000083371415 384764406 /nfs/dbraw/zinc/76/44/06/384764406.db2.gz YHKJUWQLKORZPR-UHFFFAOYSA-N 0 3 243.272 3.526 20 0 BHADHN Cc1ccccc1CNCc1cc(F)ccc1C ZINC000083371854 179283088 /nfs/dbraw/zinc/28/30/88/179283088.db2.gz ASEOPTFAQPSWQA-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1cccc(C)c1CNCc1cccc(F)c1 ZINC000083371857 179036802 /nfs/dbraw/zinc/03/68/02/179036802.db2.gz BOOKPYAODXMJJV-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1ccc(F)cc1CN[C@@H](C)c1ccccc1 ZINC000083371865 387404563 /nfs/dbraw/zinc/40/45/63/387404563.db2.gz BSMCVRYJSIJSJH-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccc(F)cc1CN[C@H](C)c1ccccc1 ZINC000083371866 384764762 /nfs/dbraw/zinc/76/47/62/384764762.db2.gz BSMCVRYJSIJSJH-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccc(CNCc2cc(F)ccc2C)cc1 ZINC000083371869 387407383 /nfs/dbraw/zinc/40/73/83/387407383.db2.gz MDEWGBDHQMDHCQ-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN CCCc1ccc(CNCc2cccs2)cc1 ZINC000083374545 398048543 /nfs/dbraw/zinc/04/85/43/398048543.db2.gz BLQQYZLIQWZLKF-UHFFFAOYSA-N 0 3 245.391 3.990 20 0 BHADHN C[C@H](NCc1ccc(Cl)nc1)c1ccccc1 ZINC000083376173 643443581 /nfs/dbraw/zinc/44/35/81/643443581.db2.gz DRCRMVCOSTXKGR-NSHDSACASA-N 0 3 246.741 3.586 20 0 BHADHN C[C@@H](NCc1ccc(Cl)nc1)c1ccccc1 ZINC000083376174 643443525 /nfs/dbraw/zinc/44/35/25/643443525.db2.gz DRCRMVCOSTXKGR-LLVKDONJSA-N 0 3 246.741 3.586 20 0 BHADHN Cc1ccccc1CNCc1cc(F)cc(F)c1 ZINC000083376837 179282894 /nfs/dbraw/zinc/28/28/94/179282894.db2.gz QQWDYYORRJREFV-UHFFFAOYSA-N 0 3 247.288 3.563 20 0 BHADHN Cc1ccc(F)cc1CNCc1cccc(F)c1 ZINC000083376840 384767713 /nfs/dbraw/zinc/76/77/13/384767713.db2.gz YJAOUQXNANVFEH-UHFFFAOYSA-N 0 3 247.288 3.563 20 0 BHADHN Cc1ccc(F)cc1CNCc1ccc(F)cc1 ZINC000083376845 387406255 /nfs/dbraw/zinc/40/62/55/387406255.db2.gz GOPGRRUAJPEDKZ-UHFFFAOYSA-N 0 3 247.288 3.563 20 0 BHADHN C[C@H](NCc1cc(F)cc(F)c1)c1ccccc1 ZINC000083376853 387406393 /nfs/dbraw/zinc/40/63/93/387406393.db2.gz LSBZDQVUQSZNJO-NSHDSACASA-N 0 3 247.288 3.816 20 0 BHADHN C[C@@H](NCc1cc(F)cc(F)c1)c1ccccc1 ZINC000083376854 387407428 /nfs/dbraw/zinc/40/74/28/387407428.db2.gz LSBZDQVUQSZNJO-LLVKDONJSA-N 0 3 247.288 3.816 20 0 BHADHN CC(C)CNCc1cc(C(F)(F)F)ccc1F ZINC000083380142 167007545 /nfs/dbraw/zinc/00/75/45/167007545.db2.gz ILBPOGIJWKTVGF-UHFFFAOYSA-N 0 3 249.251 3.590 20 0 BHADHN CC[C@@H](C)NCc1cc(C(F)(F)F)ccc1F ZINC000083380149 387407198 /nfs/dbraw/zinc/40/71/98/387407198.db2.gz PUJKQHIHOVYSEY-MRVPVSSYSA-N 0 3 249.251 3.733 20 0 BHADHN CC[C@H](C)NCc1cc(C(F)(F)F)ccc1F ZINC000083380150 171342539 /nfs/dbraw/zinc/34/25/39/171342539.db2.gz PUJKQHIHOVYSEY-QMMMGPOBSA-N 0 3 249.251 3.733 20 0 BHADHN CCCCNCc1cc(C(F)(F)F)ccc1F ZINC000083380156 398280817 /nfs/dbraw/zinc/28/08/17/398280817.db2.gz REMJESURMYGIRK-UHFFFAOYSA-N 0 3 249.251 3.734 20 0 BHADHN Fc1cc(Cl)cc(CNCc2ccccc2)c1 ZINC000083381947 387406182 /nfs/dbraw/zinc/40/61/82/387406182.db2.gz YJHGKAWXNWWQFB-UHFFFAOYSA-N 0 3 249.716 3.769 20 0 BHADHN CCC(CC)(CC)NCc1csc(C)n1 ZINC000083387925 168317711 /nfs/dbraw/zinc/31/77/11/168317711.db2.gz QQWIBBQUWGLZQJ-UHFFFAOYSA-N 0 3 226.389 3.510 20 0 BHADHN CCc1nc(CNC(CC)(CC)CC)cs1 ZINC000083388015 259338467 /nfs/dbraw/zinc/33/84/67/259338467.db2.gz KGGOOYPKEZRUOS-UHFFFAOYSA-N 0 3 240.416 3.764 20 0 BHADHN CSCCCNc1cc(C)nc2ccccc21 ZINC000083408394 388051463 /nfs/dbraw/zinc/05/14/63/388051463.db2.gz RZUSMTPEABOBCW-UHFFFAOYSA-N 0 3 246.379 3.708 20 0 BHADHN Cc1nc(CN[C@@H]2CCC[C@H](C)CC2)cs1 ZINC000083427808 635331166 /nfs/dbraw/zinc/33/11/66/635331166.db2.gz HAUOFASWAULRAV-CMPLNLGQSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@H]2CCC[C@H](C)CC2)cs1 ZINC000083427809 643451423 /nfs/dbraw/zinc/45/14/23/643451423.db2.gz HAUOFASWAULRAV-JQWIXIFHSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@@H]2CCC[C@@H](C)CC2)cs1 ZINC000083427810 643451534 /nfs/dbraw/zinc/45/15/34/643451534.db2.gz HAUOFASWAULRAV-ZYHUDNBSSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@H]2CCC[C@@H](C)CC2)cs1 ZINC000083427811 635335087 /nfs/dbraw/zinc/33/50/87/635335087.db2.gz HAUOFASWAULRAV-PWSUYJOCSA-N 0 3 238.400 3.510 20 0 BHADHN C[C@H](N[C@H]1CCC[C@@H](C)CC1)c1nccs1 ZINC000083428122 350211055 /nfs/dbraw/zinc/21/10/55/350211055.db2.gz GJCDCKCTTCCWIN-WOPDTQHZSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1nccs1 ZINC000083428124 350211299 /nfs/dbraw/zinc/21/12/99/350211299.db2.gz GJCDCKCTTCCWIN-GRYCIOLGSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H]1CCC[C@H](NCc2nccs2)CC1 ZINC000083435632 487912742 /nfs/dbraw/zinc/91/27/42/487912742.db2.gz RJHCCOYGJJJEGN-NEPJUHHUSA-N 0 3 238.400 3.592 20 0 BHADHN CC[C@H]1CCC[C@H](NCc2nccs2)CC1 ZINC000083435633 487912852 /nfs/dbraw/zinc/91/28/52/487912852.db2.gz RJHCCOYGJJJEGN-RYUDHWBXSA-N 0 3 238.400 3.592 20 0 BHADHN CC[C@@H]1CCC[C@@H](NCc2nccs2)CC1 ZINC000083435634 487912771 /nfs/dbraw/zinc/91/27/71/487912771.db2.gz RJHCCOYGJJJEGN-VXGBXAGGSA-N 0 3 238.400 3.592 20 0 BHADHN CC[C@H]1CCC[C@@H](NCc2nccs2)CC1 ZINC000083435635 487912873 /nfs/dbraw/zinc/91/28/73/487912873.db2.gz RJHCCOYGJJJEGN-NWDGAFQWSA-N 0 3 238.400 3.592 20 0 BHADHN CC1(C)CCC[C@H](NCc2nccs2)CC1 ZINC000083435636 351326396 /nfs/dbraw/zinc/32/63/96/351326396.db2.gz OYIVAMCIXDHYOF-NSHDSACASA-N 0 3 238.400 3.592 20 0 BHADHN CC1(C)CCC[C@@H](NCc2nccs2)CC1 ZINC000083435637 351326354 /nfs/dbraw/zinc/32/63/54/351326354.db2.gz OYIVAMCIXDHYOF-LLVKDONJSA-N 0 3 238.400 3.592 20 0 BHADHN CC[C@@H]1CCC[C@H](NCc2cscn2)CC1 ZINC000083435824 487912989 /nfs/dbraw/zinc/91/29/89/487912989.db2.gz CCBZMKJVJCCAIU-NEPJUHHUSA-N 0 3 238.400 3.592 20 0 BHADHN CC[C@H]1CCC[C@H](NCc2cscn2)CC1 ZINC000083435825 487912937 /nfs/dbraw/zinc/91/29/37/487912937.db2.gz CCBZMKJVJCCAIU-RYUDHWBXSA-N 0 3 238.400 3.592 20 0 BHADHN CC[C@@H]1CCC[C@@H](NCc2cscn2)CC1 ZINC000083435826 487912837 /nfs/dbraw/zinc/91/28/37/487912837.db2.gz CCBZMKJVJCCAIU-VXGBXAGGSA-N 0 3 238.400 3.592 20 0 BHADHN CC[C@H]1CCC[C@@H](NCc2cscn2)CC1 ZINC000083435827 487912637 /nfs/dbraw/zinc/91/26/37/487912637.db2.gz CCBZMKJVJCCAIU-NWDGAFQWSA-N 0 3 238.400 3.592 20 0 BHADHN CC1(C)CCC[C@H](NCc2cscn2)CC1 ZINC000083435828 487912845 /nfs/dbraw/zinc/91/28/45/487912845.db2.gz GIFUYRJJSFJASE-NSHDSACASA-N 0 3 238.400 3.592 20 0 BHADHN CC1(C)CCC[C@@H](NCc2cscn2)CC1 ZINC000083435829 487912895 /nfs/dbraw/zinc/91/28/95/487912895.db2.gz GIFUYRJJSFJASE-LLVKDONJSA-N 0 3 238.400 3.592 20 0 BHADHN Cc1ccc(CNCC(C)(C)c2cccs2)o1 ZINC000083601857 387419714 /nfs/dbraw/zinc/41/97/14/387419714.db2.gz YJYZYWDMGSHYPN-UHFFFAOYSA-N 0 3 249.379 3.717 20 0 BHADHN c1cc(CNCc2coc3ccccc23)cs1 ZINC000083601907 388056502 /nfs/dbraw/zinc/05/65/02/388056502.db2.gz WTZSDXDPNASSKF-UHFFFAOYSA-N 0 3 243.331 3.784 20 0 BHADHN Clc1ccc(Cl)c(CNCC2CCC2)c1 ZINC000083697320 387421140 /nfs/dbraw/zinc/42/11/40/387421140.db2.gz NAQIYHURDIWXKK-UHFFFAOYSA-N 0 3 244.165 3.883 20 0 BHADHN C[C@H](NCc1cc(Cl)ccc1Cl)C1CC1 ZINC000083697396 387421410 /nfs/dbraw/zinc/42/14/10/387421410.db2.gz BBEGBGYVAVNYDW-QMMMGPOBSA-N 0 3 244.165 3.882 20 0 BHADHN Clc1ccc(Cl)c(CNC2CCC2)c1 ZINC000083698400 388059737 /nfs/dbraw/zinc/05/97/37/388059737.db2.gz ZRVCYONAULWJGP-UHFFFAOYSA-N 0 3 230.138 3.636 20 0 BHADHN CC[C@@H](C)C[C@@H](C)NCc1ccc(Cl)o1 ZINC000083863431 387426836 /nfs/dbraw/zinc/42/68/36/387426836.db2.gz QPWPSMLGUPJVAF-NXEZZACHSA-N 0 3 229.751 3.847 20 0 BHADHN CC[C@H](C)C[C@@H](C)NCc1ccc(Cl)o1 ZINC000083863432 387426389 /nfs/dbraw/zinc/42/63/89/387426389.db2.gz QPWPSMLGUPJVAF-VHSXEESVSA-N 0 3 229.751 3.847 20 0 BHADHN CC[C@@H](C)C[C@H](C)NCc1ccc(Cl)o1 ZINC000083863433 387427299 /nfs/dbraw/zinc/42/72/99/387427299.db2.gz QPWPSMLGUPJVAF-ZJUUUORDSA-N 0 3 229.751 3.847 20 0 BHADHN CC[C@H](C)C[C@H](C)NCc1ccc(Cl)o1 ZINC000083863434 387425805 /nfs/dbraw/zinc/42/58/05/387425805.db2.gz QPWPSMLGUPJVAF-UWVGGRQHSA-N 0 3 229.751 3.847 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1csc(C)n1 ZINC000083863444 133561855 /nfs/dbraw/zinc/56/18/55/133561855.db2.gz WUMVDGJMIORDHD-AXFHLTTASA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1csc(C)n1 ZINC000083863446 351961207 /nfs/dbraw/zinc/96/12/07/351961207.db2.gz WUMVDGJMIORDHD-DCAQKATOSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1ccco1 ZINC000083863700 387426616 /nfs/dbraw/zinc/42/66/16/387426616.db2.gz PHKULBZIJSURAI-TUAOUCFPSA-N 0 3 209.333 3.755 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1ccco1 ZINC000083863702 387426190 /nfs/dbraw/zinc/42/61/90/387426190.db2.gz PHKULBZIJSURAI-SRVKXCTJSA-N 0 3 209.333 3.755 20 0 BHADHN CC[C@@H](C)C[C@@H](C)NCc1ccccc1F ZINC000083863707 384804686 /nfs/dbraw/zinc/80/46/86/384804686.db2.gz XHSHZXUYZVAKPR-VXGBXAGGSA-N 0 3 223.335 3.740 20 0 BHADHN CC[C@H](C)C[C@@H](C)NCc1ccccc1F ZINC000083863708 384804601 /nfs/dbraw/zinc/80/46/01/384804601.db2.gz XHSHZXUYZVAKPR-NWDGAFQWSA-N 0 3 223.335 3.740 20 0 BHADHN CC[C@@H](C)C[C@H](C)NCc1ccccc1F ZINC000083863709 384804235 /nfs/dbraw/zinc/80/42/35/384804235.db2.gz XHSHZXUYZVAKPR-NEPJUHHUSA-N 0 3 223.335 3.740 20 0 BHADHN CC[C@H](C)C[C@H](C)NCc1ccccc1F ZINC000083863710 387425733 /nfs/dbraw/zinc/42/57/33/387425733.db2.gz XHSHZXUYZVAKPR-RYUDHWBXSA-N 0 3 223.335 3.740 20 0 BHADHN CC[C@@H](C)C[C@@H](C)NCc1ccc(C)o1 ZINC000083863799 351962108 /nfs/dbraw/zinc/96/21/08/351962108.db2.gz AFVJBYPLBYSQKR-GHMZBOCLSA-N 0 3 209.333 3.502 20 0 BHADHN CC[C@H](C)C[C@@H](C)NCc1ccc(C)o1 ZINC000083863800 343506945 /nfs/dbraw/zinc/50/69/45/343506945.db2.gz AFVJBYPLBYSQKR-WDEREUQCSA-N 0 3 209.333 3.502 20 0 BHADHN CC[C@@H](C)C[C@H](C)NCc1ccc(C)o1 ZINC000083863801 343507051 /nfs/dbraw/zinc/50/70/51/343507051.db2.gz AFVJBYPLBYSQKR-MNOVXSKESA-N 0 3 209.333 3.502 20 0 BHADHN CC[C@H](C)C[C@H](C)NCc1ccc(C)o1 ZINC000083863802 343506856 /nfs/dbraw/zinc/50/68/56/343506856.db2.gz AFVJBYPLBYSQKR-QWRGUYRKSA-N 0 3 209.333 3.502 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1nccs1 ZINC000083864077 171295727 /nfs/dbraw/zinc/29/57/27/171295727.db2.gz UJMHMIAXQKZKIF-AXFHLTTASA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1nccs1 ZINC000083864080 171298013 /nfs/dbraw/zinc/29/80/13/171298013.db2.gz UJMHMIAXQKZKIF-DCAQKATOSA-N 0 3 226.389 3.618 20 0 BHADHN CCc1nc(CN[C@@H](C)C[C@@H](C)CC)cs1 ZINC000083864732 384804883 /nfs/dbraw/zinc/80/48/83/384804883.db2.gz PJEYMQSSZBSMJR-QWRGUYRKSA-N 0 3 240.416 3.620 20 0 BHADHN CCc1nc(CN[C@H](C)C[C@@H](C)CC)cs1 ZINC000083864733 384804392 /nfs/dbraw/zinc/80/43/92/384804392.db2.gz PJEYMQSSZBSMJR-WDEREUQCSA-N 0 3 240.416 3.620 20 0 BHADHN CCc1nc(CN[C@@H](C)C[C@H](C)CC)cs1 ZINC000083864734 384802902 /nfs/dbraw/zinc/80/29/02/384802902.db2.gz PJEYMQSSZBSMJR-MNOVXSKESA-N 0 3 240.416 3.620 20 0 BHADHN CCc1nc(CN[C@H](C)C[C@H](C)CC)cs1 ZINC000083864735 351961950 /nfs/dbraw/zinc/96/19/50/351961950.db2.gz PJEYMQSSZBSMJR-GHMZBOCLSA-N 0 3 240.416 3.620 20 0 BHADHN Clc1ccc(CNCCC2CC2)c(Cl)c1 ZINC000083893350 384922069 /nfs/dbraw/zinc/92/20/69/384922069.db2.gz RQUPYIMASVBVGE-UHFFFAOYSA-N 0 3 244.165 3.883 20 0 BHADHN Clc1cccc(Cl)c1CNCCC1CC1 ZINC000083893432 384922284 /nfs/dbraw/zinc/92/22/84/384922284.db2.gz SXXIRZDAYQQLKV-UHFFFAOYSA-N 0 3 244.165 3.883 20 0 BHADHN Clc1cccc(CNCCC2CC2)c1Cl ZINC000083893675 256757057 /nfs/dbraw/zinc/75/70/57/256757057.db2.gz NABXWHZVSXPQEV-UHFFFAOYSA-N 0 3 244.165 3.883 20 0 BHADHN C[C@H](NCCC1CC1)c1ccc(F)cc1Cl ZINC000083893708 384811731 /nfs/dbraw/zinc/81/17/31/384811731.db2.gz TVFFRNZPYWDOSA-VIFPVBQESA-N 0 3 241.737 3.930 20 0 BHADHN C[C@@H](NCCC1CC1)c1ccc(F)cc1Cl ZINC000083893709 384812470 /nfs/dbraw/zinc/81/24/70/384812470.db2.gz TVFFRNZPYWDOSA-SECBINFHSA-N 0 3 241.737 3.930 20 0 BHADHN C[C@H](NCCC1CC1)c1ccccc1Cl ZINC000083893764 387428550 /nfs/dbraw/zinc/42/85/50/387428550.db2.gz GNNDHGLBCADLSN-JTQLQIEISA-N 0 3 223.747 3.791 20 0 BHADHN C[C@@H](NCCC1CC1)c1ccccc1Cl ZINC000083893765 387428605 /nfs/dbraw/zinc/42/86/05/387428605.db2.gz GNNDHGLBCADLSN-SNVBAGLBSA-N 0 3 223.747 3.791 20 0 BHADHN Clc1ccc(Cl)c(CNCCC2CC2)c1 ZINC000083894703 538112283 /nfs/dbraw/zinc/11/22/83/538112283.db2.gz KKCXTEXSAMRDAL-UHFFFAOYSA-N 0 3 244.165 3.883 20 0 BHADHN Cc1nc(CN[C@@H]2CCCCC[C@@H]2C)cs1 ZINC000083948861 343688911 /nfs/dbraw/zinc/68/89/11/343688911.db2.gz DQTZYDACAPJJIN-GXFFZTMASA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@H]2CCCCC[C@@H]2C)cs1 ZINC000083948862 343688931 /nfs/dbraw/zinc/68/89/31/343688931.db2.gz DQTZYDACAPJJIN-GWCFXTLKSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@@H]2CCCCC[C@H]2C)cs1 ZINC000083948863 343689032 /nfs/dbraw/zinc/68/90/32/343689032.db2.gz DQTZYDACAPJJIN-ZWNOBZJWSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@H]2CCCCC[C@H]2C)cs1 ZINC000083948864 343688978 /nfs/dbraw/zinc/68/89/78/343688978.db2.gz DQTZYDACAPJJIN-MFKMUULPSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc([C@@H](C)N[C@H]2CC=CCC2)c(C)s1 ZINC000084066905 538113051 /nfs/dbraw/zinc/11/30/51/538113051.db2.gz XRNWJHVVEYNLNG-SKDRFNHKSA-N 0 3 236.384 3.519 20 0 BHADHN Cc1nc([C@H](C)N[C@H]2CC=CCC2)c(C)s1 ZINC000084066906 538113037 /nfs/dbraw/zinc/11/30/37/538113037.db2.gz XRNWJHVVEYNLNG-CABZTGNLSA-N 0 3 236.384 3.519 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H]2CC=CCC2)c(C)s1 ZINC000084066907 538113030 /nfs/dbraw/zinc/11/30/30/538113030.db2.gz XRNWJHVVEYNLNG-BXKDBHETSA-N 0 3 236.384 3.519 20 0 BHADHN Cc1nc([C@H](C)N[C@@H]2CC=CCC2)c(C)s1 ZINC000084066908 538113041 /nfs/dbraw/zinc/11/30/41/538113041.db2.gz XRNWJHVVEYNLNG-JOYOIKCWSA-N 0 3 236.384 3.519 20 0 BHADHN Fc1ccc(CN[C@H]2CC=CCC2)c(Cl)c1 ZINC000084067971 384835247 /nfs/dbraw/zinc/83/52/47/384835247.db2.gz IEWUWDOJFKVWNZ-LBPRGKRZSA-N 0 3 239.721 3.677 20 0 BHADHN Fc1ccc(CN[C@@H]2CC=CCC2)c(Cl)c1 ZINC000084067974 384835516 /nfs/dbraw/zinc/83/55/16/384835516.db2.gz IEWUWDOJFKVWNZ-GFCCVEGCSA-N 0 3 239.721 3.677 20 0 BHADHN CC1(NCc2ccncc2Cl)CCCCC1 ZINC000084084925 322960466 /nfs/dbraw/zinc/96/04/66/322960466.db2.gz FMXLPLFNFUMWSD-UHFFFAOYSA-N 0 3 238.762 3.547 20 0 BHADHN CC(C)CC[C@@H](C)NCc1ccncc1Cl ZINC000084085042 487867206 /nfs/dbraw/zinc/86/72/06/487867206.db2.gz XZNXKSRFNKIZBI-LLVKDONJSA-N 0 3 240.778 3.649 20 0 BHADHN CC(C)CC[C@H](C)NCc1ccncc1Cl ZINC000084085043 487998798 /nfs/dbraw/zinc/99/87/98/487998798.db2.gz XZNXKSRFNKIZBI-NSHDSACASA-N 0 3 240.778 3.649 20 0 BHADHN CCC(CC)(CC)NCc1ccncc1Cl ZINC000084085135 387435845 /nfs/dbraw/zinc/43/58/45/387435845.db2.gz ZEJZYPQDOXBGMN-UHFFFAOYSA-N 0 3 240.778 3.793 20 0 BHADHN CC[C@@H](C)C[C@@H](C)NCc1ccncc1Cl ZINC000084085153 487867450 /nfs/dbraw/zinc/86/74/50/487867450.db2.gz HYTMLKNHOYNJBY-GHMZBOCLSA-N 0 3 240.778 3.649 20 0 BHADHN CC[C@H](C)C[C@@H](C)NCc1ccncc1Cl ZINC000084085155 487998823 /nfs/dbraw/zinc/99/88/23/487998823.db2.gz HYTMLKNHOYNJBY-WDEREUQCSA-N 0 3 240.778 3.649 20 0 BHADHN CC[C@@H](C)C[C@H](C)NCc1ccncc1Cl ZINC000084085158 487998958 /nfs/dbraw/zinc/99/89/58/487998958.db2.gz HYTMLKNHOYNJBY-MNOVXSKESA-N 0 3 240.778 3.649 20 0 BHADHN CC[C@H](C)C[C@H](C)NCc1ccncc1Cl ZINC000084085160 487998807 /nfs/dbraw/zinc/99/88/07/487998807.db2.gz HYTMLKNHOYNJBY-QWRGUYRKSA-N 0 3 240.778 3.649 20 0 BHADHN CC(C)=CCN(CCC(F)(F)F)CC1CC1 ZINC000084138421 384583158 /nfs/dbraw/zinc/58/31/58/384583158.db2.gz NOLXLCWMSKYAJM-UHFFFAOYSA-N 0 3 235.293 3.617 20 0 BHADHN Cc1ccsc1CNCc1sccc1C ZINC000084148556 384368296 /nfs/dbraw/zinc/36/82/96/384368296.db2.gz SYPSIMJEMZUXFX-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN CCc1ccccc1CNCc1sccc1C ZINC000084200947 411278760 /nfs/dbraw/zinc/27/87/60/411278760.db2.gz SNJRVUIKNGOEAV-UHFFFAOYSA-N 0 3 245.391 3.909 20 0 BHADHN Cc1csc(CNCC2CCCCCC2)n1 ZINC000084329152 135211731 /nfs/dbraw/zinc/21/17/31/135211731.db2.gz QSEWKWURORKOGA-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN Cc1nc(CNCC2CCCCCC2)cs1 ZINC000084329180 135211466 /nfs/dbraw/zinc/21/14/66/135211466.db2.gz COJMKOXPRBTLEK-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN C[C@H](NCC1CCCCCC1)c1nccs1 ZINC000084329492 384860301 /nfs/dbraw/zinc/86/03/01/384860301.db2.gz LFXZARIMXLMHHC-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN C[C@@H](NCC1CCCCCC1)c1nccs1 ZINC000084329494 387444659 /nfs/dbraw/zinc/44/46/59/387444659.db2.gz LFXZARIMXLMHHC-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN C[C@H](NC[C@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000084343113 135210019 /nfs/dbraw/zinc/21/00/19/135210019.db2.gz ZWZBJCSZEYHBCI-WOPDTQHZSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@H]1CCC[C@H](C)C1)c1nccs1 ZINC000084343116 387445752 /nfs/dbraw/zinc/44/57/52/387445752.db2.gz ZWZBJCSZEYHBCI-SRVKXCTJSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000084343118 135210392 /nfs/dbraw/zinc/21/03/92/135210392.db2.gz ZWZBJCSZEYHBCI-GRYCIOLGSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@@H]1CCC[C@H](C)C1)c1nccs1 ZINC000084343120 387446248 /nfs/dbraw/zinc/44/62/48/387446248.db2.gz ZWZBJCSZEYHBCI-SDDRHHMPSA-N 0 3 238.400 3.620 20 0 BHADHN CC[C@H](NC1CC1)c1ccc(Cl)s1 ZINC000084396491 384391358 /nfs/dbraw/zinc/39/13/58/384391358.db2.gz NBHKBNMORPXLKP-QMMMGPOBSA-N 0 3 215.749 3.605 20 0 BHADHN CC[C@@H](NC1CC1)c1ccc(Cl)s1 ZINC000084396495 384391381 /nfs/dbraw/zinc/39/13/81/384391381.db2.gz NBHKBNMORPXLKP-MRVPVSSYSA-N 0 3 215.749 3.605 20 0 BHADHN CC(C)C[NH+](Cc1cccc([O-])c1)CC(C)C ZINC000084857684 388081399 /nfs/dbraw/zinc/08/13/99/388081399.db2.gz YGDKCNMZMTUNGU-UHFFFAOYSA-N 0 3 235.371 3.506 20 0 BHADHN C[C@@H](Cc1ccoc1)NCc1ccccc1Cl ZINC000084961413 345530575 /nfs/dbraw/zinc/53/05/75/345530575.db2.gz ZJZUCGLGRXSQLB-NSHDSACASA-N 0 3 249.741 3.654 20 0 BHADHN C[C@H](Cc1ccoc1)NCc1ccccc1Cl ZINC000084961415 345530448 /nfs/dbraw/zinc/53/04/48/345530448.db2.gz ZJZUCGLGRXSQLB-LLVKDONJSA-N 0 3 249.741 3.654 20 0 BHADHN CC(C)c1ccccc1OCCN1CCCCC1 ZINC000085151569 398287482 /nfs/dbraw/zinc/28/74/82/398287482.db2.gz ZLUMXHSVMHORRD-UHFFFAOYSA-N 0 3 247.382 3.675 20 0 BHADHN CC(C)n1ccc(CNCCC2CCCCC2)n1 ZINC000085161110 538115834 /nfs/dbraw/zinc/11/58/34/538115834.db2.gz CQXWBBXANMYPFT-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN CCCCC[C@@H](C)NCc1ccn(C(C)C)n1 ZINC000085161193 643689799 /nfs/dbraw/zinc/68/97/99/643689799.db2.gz IJZCTFUUFXENSO-CYBMUJFWSA-N 0 3 237.391 3.522 20 0 BHADHN CCCCC[C@H](C)NCc1ccn(C(C)C)n1 ZINC000085161195 643689058 /nfs/dbraw/zinc/68/90/58/643689058.db2.gz IJZCTFUUFXENSO-ZDUSSCGKSA-N 0 3 237.391 3.522 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1NCc1ccn(C(C)C)n1 ZINC000085161201 387479956 /nfs/dbraw/zinc/47/99/56/387479956.db2.gz RAMSCYWLOABTCR-HIFRSBDPSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H]1CCCC[C@@H]1NCc1ccn(C(C)C)n1 ZINC000085161203 387479126 /nfs/dbraw/zinc/47/91/26/387479126.db2.gz RAMSCYWLOABTCR-ZFWWWQNUSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H]1CCCC[C@H]1NCc1ccn(C(C)C)n1 ZINC000085161204 387480365 /nfs/dbraw/zinc/48/03/65/387480365.db2.gz RAMSCYWLOABTCR-UKRRQHHQSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H]1CCCC[C@H]1NCc1ccn(C(C)C)n1 ZINC000085161206 387479591 /nfs/dbraw/zinc/47/95/91/387479591.db2.gz RAMSCYWLOABTCR-DZGCQCFKSA-N 0 3 249.402 3.522 20 0 BHADHN CCC1CCC(NCc2ccn(C(C)C)n2)CC1 ZINC000085161211 538115796 /nfs/dbraw/zinc/11/57/96/538115796.db2.gz RIVVEESYZUGKSC-UHFFFAOYSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccc(CN[C@@H](C)C2CCCCC2)n1 ZINC000085161474 256770042 /nfs/dbraw/zinc/77/00/42/256770042.db2.gz ALLPGTWAVJVXEJ-ZDUSSCGKSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccc(CN[C@H](C)C2CCCCC2)n1 ZINC000085161476 387480546 /nfs/dbraw/zinc/48/05/46/387480546.db2.gz ALLPGTWAVJVXEJ-CYBMUJFWSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccc(CNC2CCC(C)(C)CC2)n1 ZINC000085161631 388665039 /nfs/dbraw/zinc/66/50/39/388665039.db2.gz FDBLMGWOJLCNCG-UHFFFAOYSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H]1CCC[C@H](NCc2ccn(C(C)C)n2)C1 ZINC000085161686 538115850 /nfs/dbraw/zinc/11/58/50/538115850.db2.gz MEZOITJMFUHRGO-KGLIPLIRSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H]1CCC[C@H](NCc2ccn(C(C)C)n2)C1 ZINC000085161687 538115774 /nfs/dbraw/zinc/11/57/74/538115774.db2.gz MEZOITJMFUHRGO-KBPBESRZSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H]1CCC[C@@H](NCc2ccn(C(C)C)n2)C1 ZINC000085161690 538115868 /nfs/dbraw/zinc/11/58/68/538115868.db2.gz MEZOITJMFUHRGO-ZIAGYGMSSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H]1CCC[C@@H](NCc2ccn(C(C)C)n2)C1 ZINC000085161692 538115729 /nfs/dbraw/zinc/11/57/29/538115729.db2.gz MEZOITJMFUHRGO-UONOGXRCSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)C[C@@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085172998 256770177 /nfs/dbraw/zinc/77/01/77/256770177.db2.gz ZVOZFYQLFNCFTJ-CYBMUJFWSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)C[C@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085173000 387480321 /nfs/dbraw/zinc/48/03/21/387480321.db2.gz ZVOZFYQLFNCFTJ-ZDUSSCGKSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)CCCNCc1ccn(C2CCCC2)n1 ZINC000085173438 384925412 /nfs/dbraw/zinc/92/54/12/384925412.db2.gz NCZRFHVTAWNEJL-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN CC[C@@H](C)[C@@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085173631 387480403 /nfs/dbraw/zinc/48/04/03/387480403.db2.gz NBPBBTJRUJSIHE-CHWSQXEVSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H](C)[C@@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085173632 387479808 /nfs/dbraw/zinc/47/98/08/387479808.db2.gz NBPBBTJRUJSIHE-QWHCGFSZSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H](C)[C@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085173634 387479300 /nfs/dbraw/zinc/47/93/00/387479300.db2.gz NBPBBTJRUJSIHE-OLZOCXBDSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085173636 256769696 /nfs/dbraw/zinc/76/96/96/256769696.db2.gz NBPBBTJRUJSIHE-STQMWFEESA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H](NCc1ccn(C2CCCC2)n1)C(C)C ZINC000085173738 387478826 /nfs/dbraw/zinc/47/88/26/387478826.db2.gz SZQWEPXPFIREHB-HNNXBMFYSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H](NCc1ccn(C2CCCC2)n1)C(C)C ZINC000085173740 387480000 /nfs/dbraw/zinc/48/00/00/387480000.db2.gz SZQWEPXPFIREHB-OAHLLOKOSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@@H](CC)NCc1ccn(C2CCCC2)n1 ZINC000085174203 256769894 /nfs/dbraw/zinc/76/98/94/256769894.db2.gz ZKVADHQRPVBSQF-CYBMUJFWSA-N 0 3 249.402 3.667 20 0 BHADHN CCC[C@H](CC)NCc1ccn(C2CCCC2)n1 ZINC000085174205 387478639 /nfs/dbraw/zinc/47/86/39/387478639.db2.gz ZKVADHQRPVBSQF-ZDUSSCGKSA-N 0 3 249.402 3.667 20 0 BHADHN CCCC[C@@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085174240 387479251 /nfs/dbraw/zinc/47/92/51/387479251.db2.gz PVEXHMZBCWTSEJ-CYBMUJFWSA-N 0 3 249.402 3.667 20 0 BHADHN CCCC[C@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085174242 387479777 /nfs/dbraw/zinc/47/97/77/387479777.db2.gz PVEXHMZBCWTSEJ-ZDUSSCGKSA-N 0 3 249.402 3.667 20 0 BHADHN Cc1ccsc1CNCc1cc(C)ccc1C ZINC000085274755 384930061 /nfs/dbraw/zinc/93/00/61/384930061.db2.gz PNKKVEPGBZHAJG-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN C[C@H](N[C@@H]1CC1(C)C)c1cnc2ccsc2c1 ZINC000085433880 388088913 /nfs/dbraw/zinc/08/89/13/388088913.db2.gz LLPRECNTCGFMIJ-TVQRCGJNSA-N 0 3 246.379 3.745 20 0 BHADHN C[C@@H](N[C@@H]1CC1(C)C)c1cnc2ccsc2c1 ZINC000085433881 388089063 /nfs/dbraw/zinc/08/90/63/388089063.db2.gz LLPRECNTCGFMIJ-NOZJJQNGSA-N 0 3 246.379 3.745 20 0 BHADHN C[C@H](N[C@H]1CC1(C)C)c1cnc2ccsc2c1 ZINC000085433882 388088219 /nfs/dbraw/zinc/08/82/19/388088219.db2.gz LLPRECNTCGFMIJ-ZANVPECISA-N 0 3 246.379 3.745 20 0 BHADHN C[C@@H](N[C@H]1CC1(C)C)c1cnc2ccsc2c1 ZINC000085433883 388089003 /nfs/dbraw/zinc/08/90/03/388089003.db2.gz LLPRECNTCGFMIJ-RNCFNFMXSA-N 0 3 246.379 3.745 20 0 BHADHN CCC(CC)(CC)NCc1nc(C)cs1 ZINC000085445095 168317472 /nfs/dbraw/zinc/31/74/72/168317472.db2.gz MXEYORAODUNEFM-UHFFFAOYSA-N 0 3 226.389 3.510 20 0 BHADHN Cc1csc(CN[C@@H]2CCCCC[C@@H]2C)n1 ZINC000085447444 344534695 /nfs/dbraw/zinc/53/46/95/344534695.db2.gz PKHLHERRTUSCHO-CMPLNLGQSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1csc(CN[C@H]2CCCCC[C@@H]2C)n1 ZINC000085447446 344534792 /nfs/dbraw/zinc/53/47/92/344534792.db2.gz PKHLHERRTUSCHO-JQWIXIFHSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1csc(CN[C@@H]2CCCCC[C@H]2C)n1 ZINC000085447448 344534478 /nfs/dbraw/zinc/53/44/78/344534478.db2.gz PKHLHERRTUSCHO-ZYHUDNBSSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1csc(CN[C@H]2CCCCC[C@H]2C)n1 ZINC000085447450 344534623 /nfs/dbraw/zinc/53/46/23/344534623.db2.gz PKHLHERRTUSCHO-PWSUYJOCSA-N 0 3 238.400 3.510 20 0 BHADHN C[C@H](NC/C(Cl)=C/Cl)C1CCCCC1 ZINC000085978957 644453915 /nfs/dbraw/zinc/45/39/15/644453915.db2.gz QFHRMOQZMATRBI-MKVDPYIPSA-N 0 3 236.186 3.864 20 0 BHADHN C[C@@H](NC/C(Cl)=C/Cl)C1CCCCC1 ZINC000085978960 644454397 /nfs/dbraw/zinc/45/43/97/644454397.db2.gz QFHRMOQZMATRBI-MDXIRLPMSA-N 0 3 236.186 3.864 20 0 BHADHN CCCC[C@@H](C)N[C@@H](C)c1c(C)noc1C ZINC000086109729 491057524 /nfs/dbraw/zinc/05/75/24/491057524.db2.gz SAAUTTLNPCFJPU-ZJUUUORDSA-N 0 3 224.348 3.521 20 0 BHADHN CCCC[C@H](C)N[C@@H](C)c1c(C)noc1C ZINC000086109731 491057561 /nfs/dbraw/zinc/05/75/61/491057561.db2.gz SAAUTTLNPCFJPU-UWVGGRQHSA-N 0 3 224.348 3.521 20 0 BHADHN CCCC[C@@H](C)N[C@H](C)c1c(C)noc1C ZINC000086109733 491057546 /nfs/dbraw/zinc/05/75/46/491057546.db2.gz SAAUTTLNPCFJPU-NXEZZACHSA-N 0 3 224.348 3.521 20 0 BHADHN CCCC[C@H](C)N[C@H](C)c1c(C)noc1C ZINC000086109735 491057469 /nfs/dbraw/zinc/05/74/69/491057469.db2.gz SAAUTTLNPCFJPU-VHSXEESVSA-N 0 3 224.348 3.521 20 0 BHADHN CC[C@H](NCc1nc2ccccc2s1)C1CC1 ZINC000086116064 491057843 /nfs/dbraw/zinc/05/78/43/491057843.db2.gz GYDDBDQVRAPZSA-NSHDSACASA-N 0 3 246.379 3.575 20 0 BHADHN CC[C@@H](NCc1nc2ccccc2s1)C1CC1 ZINC000086116067 491057839 /nfs/dbraw/zinc/05/78/39/491057839.db2.gz GYDDBDQVRAPZSA-LLVKDONJSA-N 0 3 246.379 3.575 20 0 BHADHN CC[C@H](N[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000086116528 491057846 /nfs/dbraw/zinc/05/78/46/491057846.db2.gz AJHGOMJZDZVPOJ-XPTSAGLGSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000086116534 491057848 /nfs/dbraw/zinc/05/78/48/491057848.db2.gz AJHGOMJZDZVPOJ-LKFCYVNXSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](N[C@H](C)c1cc(F)ccc1F)C1CC1 ZINC000086116541 491057830 /nfs/dbraw/zinc/05/78/30/491057830.db2.gz AJHGOMJZDZVPOJ-OTYXRUKQSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H](N[C@H](C)c1cc(F)ccc1F)C1CC1 ZINC000086116544 491057832 /nfs/dbraw/zinc/05/78/32/491057832.db2.gz AJHGOMJZDZVPOJ-YMTOWFKASA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](N[C@@H](C)c1c(F)cccc1F)C1CC1 ZINC000086119186 387516115 /nfs/dbraw/zinc/51/61/15/387516115.db2.gz AGASCQHTGPEZTH-ZANVPECISA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H](N[C@@H](C)c1c(F)cccc1F)C1CC1 ZINC000086119189 387515802 /nfs/dbraw/zinc/51/58/02/387515802.db2.gz AGASCQHTGPEZTH-TVQRCGJNSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](N[C@H](C)c1c(F)cccc1F)C1CC1 ZINC000086119193 387517075 /nfs/dbraw/zinc/51/70/75/387517075.db2.gz AGASCQHTGPEZTH-RNCFNFMXSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H](N[C@H](C)c1c(F)cccc1F)C1CC1 ZINC000086119194 262913782 /nfs/dbraw/zinc/91/37/82/262913782.db2.gz AGASCQHTGPEZTH-NOZJJQNGSA-N 0 3 239.309 3.804 20 0 BHADHN c1cc(CNCc2csc3ccccc23)c[nH]1 ZINC000086251120 345536690 /nfs/dbraw/zinc/53/66/90/345536690.db2.gz FCODIUUKLTYXEV-UHFFFAOYSA-N 0 3 242.347 3.519 20 0 BHADHN CC(C)C[C@H](NCc1cc[nH]c1)c1cccs1 ZINC000086251542 345536667 /nfs/dbraw/zinc/53/66/67/345536667.db2.gz UNLDTOQOUMOTLM-ZDUSSCGKSA-N 0 3 248.395 3.953 20 0 BHADHN CC(C)C[C@@H](NCc1cc[nH]c1)c1cccs1 ZINC000086251544 345536694 /nfs/dbraw/zinc/53/66/94/345536694.db2.gz UNLDTOQOUMOTLM-CYBMUJFWSA-N 0 3 248.395 3.953 20 0 BHADHN CC(C)(C)c1ccc(CNCc2cc[nH]c2)cc1 ZINC000086252234 325612328 /nfs/dbraw/zinc/61/23/28/325612328.db2.gz MDXCDOIMUMQPLC-UHFFFAOYSA-N 0 3 242.366 3.602 20 0 BHADHN CC(C)(NCc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000086252642 344213799 /nfs/dbraw/zinc/21/37/99/344213799.db2.gz CCWLGDXNTCLTBM-UHFFFAOYSA-N 0 3 248.757 3.693 20 0 BHADHN c1cc(CNC2(c3ccccc3)CCCC2)c[nH]1 ZINC000086254112 325612191 /nfs/dbraw/zinc/61/21/91/325612191.db2.gz KWYFPUNJOQMIGK-UHFFFAOYSA-N 0 3 240.350 3.574 20 0 BHADHN CC(C)(NCc1cc[nH]c1)c1cccc(Cl)c1 ZINC000086254745 188143256 /nfs/dbraw/zinc/14/32/56/188143256.db2.gz MGHHPARTUFVUBO-UHFFFAOYSA-N 0 3 248.757 3.693 20 0 BHADHN CCc1ccc(C(C)(C)NCc2cc[nH]c2)cc1 ZINC000086256793 325612224 /nfs/dbraw/zinc/61/22/24/325612224.db2.gz SXJULACDOTXBIF-UHFFFAOYSA-N 0 3 242.366 3.602 20 0 BHADHN Clc1csc(CNCc2ccccc2)c1 ZINC000086332005 398191194 /nfs/dbraw/zinc/19/11/94/398191194.db2.gz GGRCRRBNQFMASL-UHFFFAOYSA-N 0 3 237.755 3.691 20 0 BHADHN Clc1csc(CNCc2cccs2)c1 ZINC000086332218 135081068 /nfs/dbraw/zinc/08/10/68/135081068.db2.gz RHSPWVJBJQWYCB-UHFFFAOYSA-N 0 3 243.784 3.753 20 0 BHADHN CCC(CC)(CC)NCc1ccn(C(C)C)n1 ZINC000086642561 385036642 /nfs/dbraw/zinc/03/66/42/385036642.db2.gz DLXGNOBOONULKH-UHFFFAOYSA-N 0 3 237.391 3.522 20 0 BHADHN CN(Cc1cnc(Cl)s1)C1CCCCC1 ZINC000086776399 385044276 /nfs/dbraw/zinc/04/42/76/385044276.db2.gz ZYHSNWDREYVIAS-UHFFFAOYSA-N 0 3 244.791 3.561 20 0 BHADHN CCN(Cc1cnc(Cl)s1)C1CCCC1 ZINC000086776480 343628618 /nfs/dbraw/zinc/62/86/18/343628618.db2.gz WHPKPCJCHZEUNT-UHFFFAOYSA-N 0 3 244.791 3.561 20 0 BHADHN CC(C)CN(Cc1cnc(Cl)s1)C(C)C ZINC000086776730 344222582 /nfs/dbraw/zinc/22/25/82/344222582.db2.gz XZUPSCFVWCOMQZ-UHFFFAOYSA-N 0 3 246.807 3.663 20 0 BHADHN C[C@H](N(C)Cc1cnc(Cl)s1)C(C)(C)C ZINC000086776753 643638722 /nfs/dbraw/zinc/63/87/22/643638722.db2.gz UBAYAGQNWQCXNS-QMMMGPOBSA-N 0 3 246.807 3.663 20 0 BHADHN C[C@@H](N(C)Cc1cnc(Cl)s1)C(C)(C)C ZINC000086776755 643639542 /nfs/dbraw/zinc/63/95/42/643639542.db2.gz UBAYAGQNWQCXNS-MRVPVSSYSA-N 0 3 246.807 3.663 20 0 BHADHN CC[C@@H](C)CN(CC)Cc1cnc(Cl)s1 ZINC000086777009 644178973 /nfs/dbraw/zinc/17/89/73/644178973.db2.gz WSFSVCUYFDCDTJ-SECBINFHSA-N 0 3 246.807 3.665 20 0 BHADHN CC[C@H](C)CN(CC)Cc1cnc(Cl)s1 ZINC000086777011 644178836 /nfs/dbraw/zinc/17/88/36/644178836.db2.gz WSFSVCUYFDCDTJ-VIFPVBQESA-N 0 3 246.807 3.665 20 0 BHADHN CC1(C)CCC[C@@H]1NCc1ccc(Cl)o1 ZINC000086831128 388512189 /nfs/dbraw/zinc/51/21/89/388512189.db2.gz HMCSWFCKZGGHFZ-JTQLQIEISA-N 0 3 227.735 3.601 20 0 BHADHN CC1(C)CCC[C@H]1NCc1ccc(Cl)o1 ZINC000086831129 388512496 /nfs/dbraw/zinc/51/24/96/388512496.db2.gz HMCSWFCKZGGHFZ-SNVBAGLBSA-N 0 3 227.735 3.601 20 0 BHADHN Cc1csc(CN[C@@H]2CCCCC2(C)C)n1 ZINC000086844233 135098441 /nfs/dbraw/zinc/09/84/41/135098441.db2.gz LNHNYACIWAWHRN-LLVKDONJSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1csc(CN[C@H]2CCCCC2(C)C)n1 ZINC000086844236 135098535 /nfs/dbraw/zinc/09/85/35/135098535.db2.gz LNHNYACIWAWHRN-NSHDSACASA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@@H]2CCCCC2(C)C)cs1 ZINC000086844361 388109333 /nfs/dbraw/zinc/10/93/33/388109333.db2.gz BLIZQFNZMXSJSD-GFCCVEGCSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@H]2CCCCC2(C)C)cs1 ZINC000086844362 388109254 /nfs/dbraw/zinc/10/92/54/388109254.db2.gz BLIZQFNZMXSJSD-LBPRGKRZSA-N 0 3 238.400 3.510 20 0 BHADHN C[C@H](N[C@@H]1CCCCC1(C)C)c1nccs1 ZINC000086845617 135097309 /nfs/dbraw/zinc/09/73/09/135097309.db2.gz RYOIHQFNZWYSNJ-WDEREUQCSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@@H]1CCCCC1(C)C)c1nccs1 ZINC000086845619 135097416 /nfs/dbraw/zinc/09/74/16/135097416.db2.gz RYOIHQFNZWYSNJ-GHMZBOCLSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@H]1CCCCC1(C)C)c1nccs1 ZINC000086845622 135097980 /nfs/dbraw/zinc/09/79/80/135097980.db2.gz RYOIHQFNZWYSNJ-QWRGUYRKSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@H]1CCCCC1(C)C)c1nccs1 ZINC000086845626 135097788 /nfs/dbraw/zinc/09/77/88/135097788.db2.gz RYOIHQFNZWYSNJ-MNOVXSKESA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@@H]1CCCC1(C)C)c1ccco1 ZINC000086856267 384705145 /nfs/dbraw/zinc/70/51/45/384705145.db2.gz NSOXSRZVFXORIB-CMPLNLGQSA-N 0 3 207.317 3.509 20 0 BHADHN C[C@@H](N[C@@H]1CCCC1(C)C)c1ccco1 ZINC000086856268 384704137 /nfs/dbraw/zinc/70/41/37/384704137.db2.gz NSOXSRZVFXORIB-ZYHUDNBSSA-N 0 3 207.317 3.509 20 0 BHADHN C[C@H](N[C@H]1CCCC1(C)C)c1ccco1 ZINC000086856269 384705334 /nfs/dbraw/zinc/70/53/34/384705334.db2.gz NSOXSRZVFXORIB-JQWIXIFHSA-N 0 3 207.317 3.509 20 0 BHADHN C[C@@H](N[C@H]1CCCC1(C)C)c1ccco1 ZINC000086856270 385750664 /nfs/dbraw/zinc/75/06/64/385750664.db2.gz NSOXSRZVFXORIB-PWSUYJOCSA-N 0 3 207.317 3.509 20 0 BHADHN Cc1csc([C@@H](C)N[C@@H]2CCCC2(C)C)n1 ZINC000086857583 491064442 /nfs/dbraw/zinc/06/44/42/491064442.db2.gz BHBSJIINJMCTIP-GHMZBOCLSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@@H]2CCCC2(C)C)n1 ZINC000086857584 491064427 /nfs/dbraw/zinc/06/44/27/491064427.db2.gz BHBSJIINJMCTIP-WDEREUQCSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@@H](C)N[C@H]2CCCC2(C)C)n1 ZINC000086857585 491064452 /nfs/dbraw/zinc/06/44/52/491064452.db2.gz BHBSJIINJMCTIP-MNOVXSKESA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@H]2CCCC2(C)C)n1 ZINC000086857586 491064504 /nfs/dbraw/zinc/06/45/04/491064504.db2.gz BHBSJIINJMCTIP-QWRGUYRKSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H]2CCCC2(C)C)cs1 ZINC000086872761 135498095 /nfs/dbraw/zinc/49/80/95/135498095.db2.gz WLERFAKQFBKOIE-BXKDBHETSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@@H]2CCCC2(C)C)cs1 ZINC000086872764 388109328 /nfs/dbraw/zinc/10/93/28/388109328.db2.gz WLERFAKQFBKOIE-JOYOIKCWSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@@H](C)N[C@H]2CCCC2(C)C)cs1 ZINC000086872766 388109140 /nfs/dbraw/zinc/10/91/40/388109140.db2.gz WLERFAKQFBKOIE-SKDRFNHKSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@H]2CCCC2(C)C)cs1 ZINC000086872769 388109500 /nfs/dbraw/zinc/10/95/00/388109500.db2.gz WLERFAKQFBKOIE-CABZTGNLSA-N 0 3 238.400 3.681 20 0 BHADHN CCc1ccc(CN[C@@H]2CCCC2(C)C)o1 ZINC000086873140 385057469 /nfs/dbraw/zinc/05/74/69/385057469.db2.gz DQBPIHVMWYJMJJ-CYBMUJFWSA-N 0 3 221.344 3.510 20 0 BHADHN CCc1ccc(CN[C@H]2CCCC2(C)C)o1 ZINC000086873143 256604020 /nfs/dbraw/zinc/60/40/20/256604020.db2.gz DQBPIHVMWYJMJJ-ZDUSSCGKSA-N 0 3 221.344 3.510 20 0 BHADHN CC1(C)CCCC[C@@H]1NCc1ccc(Cl)o1 ZINC000086874030 259367680 /nfs/dbraw/zinc/36/76/80/259367680.db2.gz WZDHCAXLGWSBLP-NSHDSACASA-N 0 3 241.762 3.991 20 0 BHADHN CC1(C)CCCC[C@H]1NCc1ccc(Cl)o1 ZINC000086874033 385204660 /nfs/dbraw/zinc/20/46/60/385204660.db2.gz WZDHCAXLGWSBLP-LLVKDONJSA-N 0 3 241.762 3.991 20 0 BHADHN CC1(C)CCCC[C@@H]1NC/C(Cl)=C/Cl ZINC000086875030 644243025 /nfs/dbraw/zinc/24/30/25/644243025.db2.gz GAGDPTWVLTUWQM-RNKPRXRFSA-N 0 3 236.186 3.864 20 0 BHADHN CC1(C)CCCC[C@H]1NC/C(Cl)=C/Cl ZINC000086875032 644243727 /nfs/dbraw/zinc/24/37/27/644243727.db2.gz GAGDPTWVLTUWQM-UJICNMFASA-N 0 3 236.186 3.864 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccccc2)cc1F ZINC000087284204 388517393 /nfs/dbraw/zinc/51/73/93/388517393.db2.gz CKPISSZBRHRCNS-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccccc2)cc1F ZINC000087284205 388517457 /nfs/dbraw/zinc/51/74/57/388517457.db2.gz CKPISSZBRHRCNS-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN C[C@H](NCCC1=CCCCC1)c1ccoc1 ZINC000087289560 385089253 /nfs/dbraw/zinc/08/92/53/385089253.db2.gz IUPREVDEUFMCNP-LBPRGKRZSA-N 0 3 219.328 3.821 20 0 BHADHN C[C@@H](NCCC1=CCCCC1)c1ccoc1 ZINC000087289561 384933421 /nfs/dbraw/zinc/93/34/21/384933421.db2.gz IUPREVDEUFMCNP-GFCCVEGCSA-N 0 3 219.328 3.821 20 0 BHADHN C[C@@H](Cc1cccs1)N[C@@H](C)c1ccoc1 ZINC000087289810 384940021 /nfs/dbraw/zinc/94/00/21/384940021.db2.gz FQYPSZRXJKJBAH-QWRGUYRKSA-N 0 3 235.352 3.623 20 0 BHADHN C[C@H](Cc1cccs1)N[C@@H](C)c1ccoc1 ZINC000087289811 384940801 /nfs/dbraw/zinc/94/08/01/384940801.db2.gz FQYPSZRXJKJBAH-MNOVXSKESA-N 0 3 235.352 3.623 20 0 BHADHN C[C@@H](N[C@@H](C)Cc1cccs1)c1ccoc1 ZINC000087289812 384941087 /nfs/dbraw/zinc/94/10/87/384941087.db2.gz FQYPSZRXJKJBAH-WDEREUQCSA-N 0 3 235.352 3.623 20 0 BHADHN C[C@H](Cc1cccs1)N[C@H](C)c1ccoc1 ZINC000087289813 384940979 /nfs/dbraw/zinc/94/09/79/384940979.db2.gz FQYPSZRXJKJBAH-GHMZBOCLSA-N 0 3 235.352 3.623 20 0 BHADHN C[C@@H](Cc1ccsc1)N[C@@H](C)c1ccoc1 ZINC000087290022 385088712 /nfs/dbraw/zinc/08/87/12/385088712.db2.gz MSWRETGMLNWUJP-QWRGUYRKSA-N 0 3 235.352 3.623 20 0 BHADHN C[C@H](Cc1ccsc1)N[C@@H](C)c1ccoc1 ZINC000087290023 322963646 /nfs/dbraw/zinc/96/36/46/322963646.db2.gz MSWRETGMLNWUJP-MNOVXSKESA-N 0 3 235.352 3.623 20 0 BHADHN C[C@@H](N[C@@H](C)Cc1ccsc1)c1ccoc1 ZINC000087290024 322876752 /nfs/dbraw/zinc/87/67/52/322876752.db2.gz MSWRETGMLNWUJP-WDEREUQCSA-N 0 3 235.352 3.623 20 0 BHADHN C[C@H](Cc1ccsc1)N[C@H](C)c1ccoc1 ZINC000087290025 384940876 /nfs/dbraw/zinc/94/08/76/384940876.db2.gz MSWRETGMLNWUJP-GHMZBOCLSA-N 0 3 235.352 3.623 20 0 BHADHN Cc1ccsc1CN[C@@H](C)c1ccoc1 ZINC000087308536 384762601 /nfs/dbraw/zinc/76/26/01/384762601.db2.gz LOOPPDPKUKMILH-JTQLQIEISA-N 0 3 221.325 3.500 20 0 BHADHN Cc1ccsc1CN[C@H](C)c1ccoc1 ZINC000087308537 325631232 /nfs/dbraw/zinc/63/12/32/325631232.db2.gz LOOPPDPKUKMILH-SNVBAGLBSA-N 0 3 221.325 3.500 20 0 BHADHN Cc1cscc1CNCc1cccc(C)c1 ZINC000087309109 359906750 /nfs/dbraw/zinc/90/67/50/359906750.db2.gz FCERJQHFVACXTD-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1cscc1CN[C@@H](C)c1ccccc1 ZINC000087309191 135121822 /nfs/dbraw/zinc/12/18/22/135121822.db2.gz SOJUJUCHPGPEMF-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1cscc1CN[C@H](C)c1ccccc1 ZINC000087309192 135122250 /nfs/dbraw/zinc/12/22/50/135122250.db2.gz SOJUJUCHPGPEMF-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1cscc1CNCc1ccc(C)cc1 ZINC000087309199 135121781 /nfs/dbraw/zinc/12/17/81/135121781.db2.gz IWKCXULRULQBKO-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1cscc1CN[C@@H](C)c1ccsc1 ZINC000087309261 135122029 /nfs/dbraw/zinc/12/20/29/135122029.db2.gz UYEMVIDISXJSCG-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN Cc1cscc1CN[C@H](C)c1ccsc1 ZINC000087309262 135122196 /nfs/dbraw/zinc/12/21/96/135122196.db2.gz UYEMVIDISXJSCG-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN Cc1cscc1CNCc1ccccc1C ZINC000087309415 135121651 /nfs/dbraw/zinc/12/16/51/135121651.db2.gz XSLDBGZLGUHDPW-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1ccc(CNCc2cscc2C)s1 ZINC000087309423 135121996 /nfs/dbraw/zinc/12/19/96/135121996.db2.gz ODJLDNTVEYZTTE-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN Cc1ccsc1CNCc1cscc1C ZINC000087309481 135122240 /nfs/dbraw/zinc/12/22/40/135122240.db2.gz VJJZOQLHGIEZJO-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN Cc1cscc1CN[C@@H](C)c1cccs1 ZINC000087309638 135122657 /nfs/dbraw/zinc/12/26/57/135122657.db2.gz HLBFYHAKOGQELL-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN Cc1cscc1CN[C@H](C)c1cccs1 ZINC000087309639 135123016 /nfs/dbraw/zinc/12/30/16/135123016.db2.gz HLBFYHAKOGQELL-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN CCC(CC)NCc1nc(C(C)(C)C)cs1 ZINC000087334781 259308162 /nfs/dbraw/zinc/30/81/62/259308162.db2.gz GNLGCZJRIHIMHC-UHFFFAOYSA-N 0 3 240.416 3.719 20 0 BHADHN CCC(C)(C)NCc1nc(C(C)(C)C)cs1 ZINC000087334785 644490477 /nfs/dbraw/zinc/49/04/77/644490477.db2.gz HNRIUPLFJHATSY-UHFFFAOYSA-N 0 3 240.416 3.719 20 0 BHADHN CCC[C@@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000087375378 256571380 /nfs/dbraw/zinc/57/13/80/256571380.db2.gz OQMFECYBZAOSBV-SNVBAGLBSA-N 0 3 240.416 3.719 20 0 BHADHN CCC[C@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000087375382 388518842 /nfs/dbraw/zinc/51/88/42/388518842.db2.gz OQMFECYBZAOSBV-JTQLQIEISA-N 0 3 240.416 3.719 20 0 BHADHN CC(C)CCNCc1nc(C(C)(C)C)cs1 ZINC000087375410 636895299 /nfs/dbraw/zinc/89/52/99/636895299.db2.gz LCPWIAXKHQEWBT-UHFFFAOYSA-N 0 3 240.416 3.576 20 0 BHADHN CC(C)[C@@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000087375464 383833671 /nfs/dbraw/zinc/83/36/71/383833671.db2.gz SXQYHGNLZVIGKU-SNVBAGLBSA-N 0 3 240.416 3.575 20 0 BHADHN CC(C)[C@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000087375466 256571859 /nfs/dbraw/zinc/57/18/59/256571859.db2.gz SXQYHGNLZVIGKU-JTQLQIEISA-N 0 3 240.416 3.575 20 0 BHADHN CC[C@@H](C)CNCc1nc(C(C)(C)C)cs1 ZINC000087375952 383833527 /nfs/dbraw/zinc/83/35/27/383833527.db2.gz GTHVGOPVCBKIEN-SNVBAGLBSA-N 0 3 240.416 3.576 20 0 BHADHN CC[C@H](C)CNCc1nc(C(C)(C)C)cs1 ZINC000087375954 383834485 /nfs/dbraw/zinc/83/44/85/383834485.db2.gz GTHVGOPVCBKIEN-JTQLQIEISA-N 0 3 240.416 3.576 20 0 BHADHN Cc1nc(CN[C@@H](C)CCC(C)C)sc1C ZINC000087376014 135127205 /nfs/dbraw/zinc/12/72/05/135127205.db2.gz XCNXAAAONWWGCR-JTQLQIEISA-N 0 3 240.416 3.674 20 0 BHADHN Cc1nc(CN[C@H](C)CCC(C)C)sc1C ZINC000087376018 135127208 /nfs/dbraw/zinc/12/72/08/135127208.db2.gz XCNXAAAONWWGCR-SNVBAGLBSA-N 0 3 240.416 3.674 20 0 BHADHN CCC(CC)(CC)NCc1nc(C)c(C)s1 ZINC000087376205 359909544 /nfs/dbraw/zinc/90/95/44/359909544.db2.gz KSSMVROUSHZSGH-UHFFFAOYSA-N 0 3 240.416 3.818 20 0 BHADHN CCCCCC(C)(C)CNCc1cscn1 ZINC000087398985 640884499 /nfs/dbraw/zinc/88/44/99/640884499.db2.gz CFSAXGZSDUDBDG-UHFFFAOYSA-N 0 3 240.416 3.839 20 0 BHADHN CCCCCC(C)(C)CNCc1nccs1 ZINC000087399077 640883889 /nfs/dbraw/zinc/88/38/89/640883889.db2.gz MGDOZQOCPSXMEU-UHFFFAOYSA-N 0 3 240.416 3.839 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@@H]2CCCCS2)o1 ZINC000087683585 135164671 /nfs/dbraw/zinc/16/46/71/135164671.db2.gz UHVVZQVXNPRXBP-NEPJUHHUSA-N 0 3 239.384 3.524 20 0 BHADHN Cc1ccc([C@H](C)NC[C@@H]2CCCCS2)o1 ZINC000087683587 135164207 /nfs/dbraw/zinc/16/42/07/135164207.db2.gz UHVVZQVXNPRXBP-RYUDHWBXSA-N 0 3 239.384 3.524 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@H]2CCCCS2)o1 ZINC000087683589 135164731 /nfs/dbraw/zinc/16/47/31/135164731.db2.gz UHVVZQVXNPRXBP-VXGBXAGGSA-N 0 3 239.384 3.524 20 0 BHADHN Cc1ccc([C@H](C)NC[C@H]2CCCCS2)o1 ZINC000087683592 135164491 /nfs/dbraw/zinc/16/44/91/135164491.db2.gz UHVVZQVXNPRXBP-NWDGAFQWSA-N 0 3 239.384 3.524 20 0 BHADHN C[C@H](N[C@@H]1CCC(C)(C)C1)c1ccco1 ZINC000087770034 135166897 /nfs/dbraw/zinc/16/68/97/135166897.db2.gz MJIZGPVSPUSFFP-WDEREUQCSA-N 0 3 207.317 3.509 20 0 BHADHN C[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccco1 ZINC000087770036 135166965 /nfs/dbraw/zinc/16/69/65/135166965.db2.gz MJIZGPVSPUSFFP-GHMZBOCLSA-N 0 3 207.317 3.509 20 0 BHADHN C[C@H](N[C@H]1CCC(C)(C)C1)c1ccco1 ZINC000087770038 135167403 /nfs/dbraw/zinc/16/74/03/135167403.db2.gz MJIZGPVSPUSFFP-QWRGUYRKSA-N 0 3 207.317 3.509 20 0 BHADHN C[C@@H](N[C@H]1CCC(C)(C)C1)c1ccco1 ZINC000087770040 135167150 /nfs/dbraw/zinc/16/71/50/135167150.db2.gz MJIZGPVSPUSFFP-MNOVXSKESA-N 0 3 207.317 3.509 20 0 BHADHN CC[C@H](N[C@@H]1CCC(C)(C)C1)c1nccs1 ZINC000087771975 359927870 /nfs/dbraw/zinc/92/78/70/359927870.db2.gz RFFWNWOYSOMDPG-MNOVXSKESA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H](N[C@@H]1CCC(C)(C)C1)c1nccs1 ZINC000087771977 359927213 /nfs/dbraw/zinc/92/72/13/359927213.db2.gz RFFWNWOYSOMDPG-GHMZBOCLSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](N[C@H]1CCC(C)(C)C1)c1nccs1 ZINC000087771979 359927589 /nfs/dbraw/zinc/92/75/89/359927589.db2.gz RFFWNWOYSOMDPG-QWRGUYRKSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H](N[C@H]1CCC(C)(C)C1)c1nccs1 ZINC000087771980 135168374 /nfs/dbraw/zinc/16/83/74/135168374.db2.gz RFFWNWOYSOMDPG-WDEREUQCSA-N 0 3 238.400 3.763 20 0 BHADHN Cc1csc([C@@H](C)N[C@@H]2CCC(C)(C)C2)n1 ZINC000087771990 359927653 /nfs/dbraw/zinc/92/76/53/359927653.db2.gz LINHMWDQJRKGBM-GHMZBOCLSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@@H]2CCC(C)(C)C2)n1 ZINC000087771992 359927362 /nfs/dbraw/zinc/92/73/62/359927362.db2.gz LINHMWDQJRKGBM-WDEREUQCSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@@H](C)N[C@H]2CCC(C)(C)C2)n1 ZINC000087771993 359927556 /nfs/dbraw/zinc/92/75/56/359927556.db2.gz LINHMWDQJRKGBM-MNOVXSKESA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@H]2CCC(C)(C)C2)n1 ZINC000087771996 359927278 /nfs/dbraw/zinc/92/72/78/359927278.db2.gz LINHMWDQJRKGBM-QWRGUYRKSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@]2(C)CCCS2)o1 ZINC000087793105 383867938 /nfs/dbraw/zinc/86/79/38/383867938.db2.gz HQYXQNUMXZQACV-YPMHNXCESA-N 0 3 239.384 3.524 20 0 BHADHN Cc1ccc([C@H](C)NC[C@]2(C)CCCS2)o1 ZINC000087793106 383866480 /nfs/dbraw/zinc/86/64/80/383866480.db2.gz HQYXQNUMXZQACV-AAEUAGOBSA-N 0 3 239.384 3.524 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@@]2(C)CCCS2)o1 ZINC000087793107 383867065 /nfs/dbraw/zinc/86/70/65/383867065.db2.gz HQYXQNUMXZQACV-DGCLKSJQSA-N 0 3 239.384 3.524 20 0 BHADHN Cc1ccc([C@H](C)NC[C@@]2(C)CCCS2)o1 ZINC000087793108 383867137 /nfs/dbraw/zinc/86/71/37/383867137.db2.gz HQYXQNUMXZQACV-WCQYABFASA-N 0 3 239.384 3.524 20 0 BHADHN C[C@H](NCc1cscn1)C1CCCCCC1 ZINC000088163112 398294025 /nfs/dbraw/zinc/29/40/25/398294025.db2.gz BROPUUOBBCANHM-NSHDSACASA-N 0 3 238.400 3.592 20 0 BHADHN C[C@H](NCc1nccs1)C1CCCCCC1 ZINC000088163170 351676909 /nfs/dbraw/zinc/67/69/09/351676909.db2.gz XSJDZGZPZWUMTP-NSHDSACASA-N 0 3 238.400 3.592 20 0 BHADHN C[C@@H](NCc1cscn1)C1CCCCCC1 ZINC000088163221 398293638 /nfs/dbraw/zinc/29/36/38/398293638.db2.gz BROPUUOBBCANHM-LLVKDONJSA-N 0 3 238.400 3.592 20 0 BHADHN C[C@@H](NCc1nccs1)C1CCCCCC1 ZINC000088169063 133551661 /nfs/dbraw/zinc/55/16/61/133551661.db2.gz XSJDZGZPZWUMTP-LLVKDONJSA-N 0 3 238.400 3.592 20 0 BHADHN Cc1ccc(CNC[C@@H]2CCC[C@H](C)C2)o1 ZINC000088195160 359941573 /nfs/dbraw/zinc/94/15/73/359941573.db2.gz OYTYYZAUVASSQU-WCQYABFASA-N 0 3 221.344 3.504 20 0 BHADHN Cc1ccc(CNC[C@H]2CCC[C@H](C)C2)o1 ZINC000088195161 135517279 /nfs/dbraw/zinc/51/72/79/135517279.db2.gz OYTYYZAUVASSQU-AAEUAGOBSA-N 0 3 221.344 3.504 20 0 BHADHN Cc1ccc(CNC[C@@H]2CCC[C@@H](C)C2)o1 ZINC000088195162 359941580 /nfs/dbraw/zinc/94/15/80/359941580.db2.gz OYTYYZAUVASSQU-DGCLKSJQSA-N 0 3 221.344 3.504 20 0 BHADHN Cc1ccc(CNC[C@H]2CCC[C@@H](C)C2)o1 ZINC000088195163 135517344 /nfs/dbraw/zinc/51/73/44/135517344.db2.gz OYTYYZAUVASSQU-YPMHNXCESA-N 0 3 221.344 3.504 20 0 BHADHN CC[C@@H](C)C[C@@H](C)NCc1ccc(F)cc1F ZINC000088292658 411283215 /nfs/dbraw/zinc/28/32/15/411283215.db2.gz NYXJSVQDTMVGJA-GHMZBOCLSA-N 0 3 241.325 3.879 20 0 BHADHN CC[C@H](C)C[C@@H](C)NCc1ccc(F)cc1F ZINC000088292660 411283298 /nfs/dbraw/zinc/28/32/98/411283298.db2.gz NYXJSVQDTMVGJA-WDEREUQCSA-N 0 3 241.325 3.879 20 0 BHADHN CC[C@@H](C)C[C@H](C)NCc1ccc(F)cc1F ZINC000088292662 411284110 /nfs/dbraw/zinc/28/41/10/411284110.db2.gz NYXJSVQDTMVGJA-MNOVXSKESA-N 0 3 241.325 3.879 20 0 BHADHN CC[C@H](C)C[C@H](C)NCc1ccc(F)cc1F ZINC000088292665 344238736 /nfs/dbraw/zinc/23/87/36/344238736.db2.gz NYXJSVQDTMVGJA-QWRGUYRKSA-N 0 3 241.325 3.879 20 0 BHADHN CC[C@@H](C)C[C@@H](C)NCc1cccc(F)c1F ZINC000088296009 363015484 /nfs/dbraw/zinc/01/54/84/363015484.db2.gz IISYRSJWRHNHHC-GHMZBOCLSA-N 0 3 241.325 3.879 20 0 BHADHN CC[C@H](C)C[C@@H](C)NCc1cccc(F)c1F ZINC000088296011 363015236 /nfs/dbraw/zinc/01/52/36/363015236.db2.gz IISYRSJWRHNHHC-WDEREUQCSA-N 0 3 241.325 3.879 20 0 BHADHN CC[C@@H](C)C[C@H](C)NCc1cccc(F)c1F ZINC000088296013 363015334 /nfs/dbraw/zinc/01/53/34/363015334.db2.gz IISYRSJWRHNHHC-MNOVXSKESA-N 0 3 241.325 3.879 20 0 BHADHN CC[C@H](C)C[C@H](C)NCc1cccc(F)c1F ZINC000088296015 363015305 /nfs/dbraw/zinc/01/53/05/363015305.db2.gz IISYRSJWRHNHHC-QWRGUYRKSA-N 0 3 241.325 3.879 20 0 BHADHN CC[C@@H](C)C[C@@H](C)NCc1cc(F)ccc1F ZINC000088297037 388527435 /nfs/dbraw/zinc/52/74/35/388527435.db2.gz MEWAONXIBBWMGY-GHMZBOCLSA-N 0 3 241.325 3.879 20 0 BHADHN CC[C@H](C)C[C@@H](C)NCc1cc(F)ccc1F ZINC000088297039 388527963 /nfs/dbraw/zinc/52/79/63/388527963.db2.gz MEWAONXIBBWMGY-WDEREUQCSA-N 0 3 241.325 3.879 20 0 BHADHN CC[C@@H](C)C[C@H](C)NCc1cc(F)ccc1F ZINC000088297041 388527835 /nfs/dbraw/zinc/52/78/35/388527835.db2.gz MEWAONXIBBWMGY-MNOVXSKESA-N 0 3 241.325 3.879 20 0 BHADHN CC[C@H](C)C[C@H](C)NCc1cc(F)ccc1F ZINC000088297042 388527641 /nfs/dbraw/zinc/52/76/41/388527641.db2.gz MEWAONXIBBWMGY-QWRGUYRKSA-N 0 3 241.325 3.879 20 0 BHADHN Cc1cc(NCCC2CC2)c2ccccc2n1 ZINC000088459857 387198484 /nfs/dbraw/zinc/19/84/84/387198484.db2.gz JLEOURNVVKADSO-UHFFFAOYSA-N 0 3 226.323 3.755 20 0 BHADHN CC(C)n1ccc(CN[C@H]2CCCCC[C@H]2C)n1 ZINC000088511724 491103923 /nfs/dbraw/zinc/10/39/23/491103923.db2.gz MSRHGDRCRBQIJQ-HIFRSBDPSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccc(CN[C@H]2CCCCC[C@@H]2C)n1 ZINC000088511726 491103984 /nfs/dbraw/zinc/10/39/84/491103984.db2.gz MSRHGDRCRBQIJQ-ZFWWWQNUSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccc(CN[C@@H]2CCCCC[C@H]2C)n1 ZINC000088511727 491103952 /nfs/dbraw/zinc/10/39/52/491103952.db2.gz MSRHGDRCRBQIJQ-UKRRQHHQSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccc(CN[C@@H]2CCCCC[C@@H]2C)n1 ZINC000088511729 491103900 /nfs/dbraw/zinc/10/39/00/491103900.db2.gz MSRHGDRCRBQIJQ-DZGCQCFKSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000088536607 325659370 /nfs/dbraw/zinc/65/93/70/325659370.db2.gz YVDBQDUCBJEURO-INIZCTEOSA-N 0 3 243.325 3.913 20 0 BHADHN CC(C)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000088536608 325659247 /nfs/dbraw/zinc/65/92/47/325659247.db2.gz YVDBQDUCBJEURO-MRXNPFEDSA-N 0 3 243.325 3.913 20 0 BHADHN CCCCN(CCCC)Cc1nc(C)cs1 ZINC000088574639 388532085 /nfs/dbraw/zinc/53/20/85/388532085.db2.gz QHJHFERBXUMMLA-UHFFFAOYSA-N 0 3 240.416 3.854 20 0 BHADHN CCN(Cc1nc(C)cs1)C1CCCCC1 ZINC000088577894 383912640 /nfs/dbraw/zinc/91/26/40/383912640.db2.gz XPPJHEURBXSFIO-UHFFFAOYSA-N 0 3 238.400 3.606 20 0 BHADHN CCN(Cc1nc(C)c(C)s1)C1CCCC1 ZINC000088578179 388532648 /nfs/dbraw/zinc/53/26/48/388532648.db2.gz NLCXTELKEJQWDF-UHFFFAOYSA-N 0 3 238.400 3.524 20 0 BHADHN CCN(Cc1nc(C)c(C)s1)[C@@H](C)C(C)C ZINC000088586948 383912842 /nfs/dbraw/zinc/91/28/42/383912842.db2.gz KSAQHXQNOGSNBU-NSHDSACASA-N 0 3 240.416 3.626 20 0 BHADHN CCN(Cc1nc(C)c(C)s1)[C@H](C)C(C)C ZINC000088586949 388531883 /nfs/dbraw/zinc/53/18/83/388531883.db2.gz KSAQHXQNOGSNBU-LLVKDONJSA-N 0 3 240.416 3.626 20 0 BHADHN Cc1nc(CN2[C@H](C)CCC[C@@H]2C)sc1C ZINC000088598762 388533702 /nfs/dbraw/zinc/53/37/02/388533702.db2.gz LHOGAFPWFSVVLK-AOOOYVTPSA-N 0 3 238.400 3.523 20 0 BHADHN Cc1nc(CN2[C@@H](C)CCC[C@@H]2C)sc1C ZINC000088598763 256812112 /nfs/dbraw/zinc/81/21/12/256812112.db2.gz LHOGAFPWFSVVLK-UWVGGRQHSA-N 0 3 238.400 3.523 20 0 BHADHN Cc1nc(CN2[C@H](C)CCC[C@H]2C)sc1C ZINC000088598764 388533481 /nfs/dbraw/zinc/53/34/81/388533481.db2.gz LHOGAFPWFSVVLK-NXEZZACHSA-N 0 3 238.400 3.523 20 0 BHADHN Cc1nc(CN2CCCCC[C@@H]2C)sc1C ZINC000088599859 345542623 /nfs/dbraw/zinc/54/26/23/345542623.db2.gz QTPCTLIQAZONPL-JTQLQIEISA-N 0 3 238.400 3.524 20 0 BHADHN Cc1nc(CN2CCCCC[C@H]2C)sc1C ZINC000088599860 345542821 /nfs/dbraw/zinc/54/28/21/345542821.db2.gz QTPCTLIQAZONPL-SNVBAGLBSA-N 0 3 238.400 3.524 20 0 BHADHN CC[C@@H]1CCCCCN1Cc1nc(C)cs1 ZINC000088601316 323081550 /nfs/dbraw/zinc/08/15/50/323081550.db2.gz YUXSWBRSIMBKIN-GFCCVEGCSA-N 0 3 238.400 3.606 20 0 BHADHN CC[C@H]1CCCCCN1Cc1nc(C)cs1 ZINC000088601317 323081541 /nfs/dbraw/zinc/08/15/41/323081541.db2.gz YUXSWBRSIMBKIN-LBPRGKRZSA-N 0 3 238.400 3.606 20 0 BHADHN C[C@H](N[C@H]1CC=CCC1)c1cc(F)ccc1F ZINC000088747190 383920943 /nfs/dbraw/zinc/92/09/43/383920943.db2.gz RALOJCKBQFYVPT-JQWIXIFHSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@@H](N[C@H]1CC=CCC1)c1cc(F)ccc1F ZINC000088747191 383921319 /nfs/dbraw/zinc/92/13/19/383921319.db2.gz RALOJCKBQFYVPT-PWSUYJOCSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@H](N[C@@H]1CC=CCC1)c1cc(F)ccc1F ZINC000088747192 383920750 /nfs/dbraw/zinc/92/07/50/383920750.db2.gz RALOJCKBQFYVPT-CMPLNLGQSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@@H](N[C@@H]1CC=CCC1)c1cc(F)ccc1F ZINC000088747193 383921175 /nfs/dbraw/zinc/92/11/75/383921175.db2.gz RALOJCKBQFYVPT-ZYHUDNBSSA-N 0 3 237.293 3.724 20 0 BHADHN COc1ccc([C@H](C)N[C@H]2CC=CCC2)c(F)c1 ZINC000088747526 383921188 /nfs/dbraw/zinc/92/11/88/383921188.db2.gz HFSKVYGAGOLEKB-RYUDHWBXSA-N 0 3 249.329 3.594 20 0 BHADHN COc1ccc([C@@H](C)N[C@H]2CC=CCC2)c(F)c1 ZINC000088747527 383921113 /nfs/dbraw/zinc/92/11/13/383921113.db2.gz HFSKVYGAGOLEKB-NEPJUHHUSA-N 0 3 249.329 3.594 20 0 BHADHN COc1ccc([C@H](C)N[C@@H]2CC=CCC2)c(F)c1 ZINC000088747528 386577744 /nfs/dbraw/zinc/57/77/44/386577744.db2.gz HFSKVYGAGOLEKB-NWDGAFQWSA-N 0 3 249.329 3.594 20 0 BHADHN COc1ccc([C@@H](C)N[C@@H]2CC=CCC2)c(F)c1 ZINC000088747529 386579449 /nfs/dbraw/zinc/57/94/49/386579449.db2.gz HFSKVYGAGOLEKB-VXGBXAGGSA-N 0 3 249.329 3.594 20 0 BHADHN C[C@H](N[C@H]1CC=CCC1)c1ccc(F)cc1F ZINC000088747712 386581490 /nfs/dbraw/zinc/58/14/90/386581490.db2.gz CXJZHXWVNQQGAY-JQWIXIFHSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@@H](N[C@H]1CC=CCC1)c1ccc(F)cc1F ZINC000088747713 386581371 /nfs/dbraw/zinc/58/13/71/386581371.db2.gz CXJZHXWVNQQGAY-PWSUYJOCSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@H](N[C@@H]1CC=CCC1)c1ccc(F)cc1F ZINC000088747714 386580112 /nfs/dbraw/zinc/58/01/12/386580112.db2.gz CXJZHXWVNQQGAY-CMPLNLGQSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@@H](N[C@@H]1CC=CCC1)c1ccc(F)cc1F ZINC000088747715 386581235 /nfs/dbraw/zinc/58/12/35/386581235.db2.gz CXJZHXWVNQQGAY-ZYHUDNBSSA-N 0 3 237.293 3.724 20 0 BHADHN Cc1ccc([C@@H](C)NCCSC(C)(C)C)o1 ZINC000089516277 644556367 /nfs/dbraw/zinc/55/63/67/644556367.db2.gz VWIKFKFVILVVRF-LLVKDONJSA-N 0 3 241.400 3.770 20 0 BHADHN Cc1ccc([C@H](C)NCCSC(C)(C)C)o1 ZINC000089516278 644557411 /nfs/dbraw/zinc/55/74/11/644557411.db2.gz VWIKFKFVILVVRF-NSHDSACASA-N 0 3 241.400 3.770 20 0 BHADHN C[C@H](NCCSC(C)(C)C)c1ccsc1 ZINC000089516580 385200950 /nfs/dbraw/zinc/20/09/50/385200950.db2.gz LPRTVTSXALGBIV-JTQLQIEISA-N 0 3 243.441 3.930 20 0 BHADHN C[C@@H](NCCSC(C)(C)C)c1ccsc1 ZINC000089516581 385202587 /nfs/dbraw/zinc/20/25/87/385202587.db2.gz LPRTVTSXALGBIV-SNVBAGLBSA-N 0 3 243.441 3.930 20 0 BHADHN C[C@H](N[C@H]1CCC[C@H]1C)c1cccnc1Cl ZINC000089551726 383976072 /nfs/dbraw/zinc/97/60/72/383976072.db2.gz PHQDQERNXNFOSB-SCVCMEIPSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@H]1CCC[C@@H]1C)c1cccnc1Cl ZINC000089551727 383977158 /nfs/dbraw/zinc/97/71/58/383977158.db2.gz PHQDQERNXNFOSB-NHCYSSNCSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@H]1C)c1cccnc1Cl ZINC000089551728 383976124 /nfs/dbraw/zinc/97/61/24/383976124.db2.gz PHQDQERNXNFOSB-JFGNBEQYSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1cccnc1Cl ZINC000089551729 383976710 /nfs/dbraw/zinc/97/67/10/383976710.db2.gz PHQDQERNXNFOSB-JBLDHEPKSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@H](C)c1cncc(F)c1)c1ccccc1 ZINC000089552780 387178685 /nfs/dbraw/zinc/17/86/85/387178685.db2.gz WYKGWUBOOZJHSQ-RYUDHWBXSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccccc1)c1cncc(F)c1 ZINC000089552781 387179644 /nfs/dbraw/zinc/17/96/44/387179644.db2.gz WYKGWUBOOZJHSQ-NWDGAFQWSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccccc1 ZINC000089552866 388551471 /nfs/dbraw/zinc/55/14/71/388551471.db2.gz FRQIMIWBFWQDSV-UWVGGRQHSA-N 0 3 231.261 3.678 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccccc1 ZINC000089552867 388551349 /nfs/dbraw/zinc/55/13/49/388551349.db2.gz FRQIMIWBFWQDSV-ZJUUUORDSA-N 0 3 231.261 3.678 20 0 BHADHN Cc1ncc([C@@H](C)N[C@@H](C)c2ccccc2)s1 ZINC000089553119 491115157 /nfs/dbraw/zinc/11/51/57/491115157.db2.gz KSSHQKLINFQRKC-WDEREUQCSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ncc([C@H](C)N[C@@H](C)c2ccccc2)s1 ZINC000089553121 491115149 /nfs/dbraw/zinc/11/51/49/491115149.db2.gz KSSHQKLINFQRKC-QWRGUYRKSA-N 0 3 246.379 3.863 20 0 BHADHN C[C@@H](N[C@@H](C)c1cncc(F)c1)c1ccccc1 ZINC000089553147 176914356 /nfs/dbraw/zinc/91/43/56/176914356.db2.gz WYKGWUBOOZJHSQ-NEPJUHHUSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccccc1 ZINC000089553148 387177957 /nfs/dbraw/zinc/17/79/57/387177957.db2.gz WYKGWUBOOZJHSQ-VXGBXAGGSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccccc1 ZINC000089553233 383976954 /nfs/dbraw/zinc/97/69/54/383976954.db2.gz FRQIMIWBFWQDSV-VHSXEESVSA-N 0 3 231.261 3.678 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@H](C)c1ccccc1 ZINC000089553234 388551391 /nfs/dbraw/zinc/55/13/91/388551391.db2.gz FRQIMIWBFWQDSV-NXEZZACHSA-N 0 3 231.261 3.678 20 0 BHADHN Cc1ncc([C@@H](C)N[C@H](C)c2ccccc2)s1 ZINC000089553429 491115144 /nfs/dbraw/zinc/11/51/44/491115144.db2.gz KSSHQKLINFQRKC-GHMZBOCLSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ncc([C@H](C)N[C@H](C)c2ccccc2)s1 ZINC000089553430 491115154 /nfs/dbraw/zinc/11/51/54/491115154.db2.gz KSSHQKLINFQRKC-MNOVXSKESA-N 0 3 246.379 3.863 20 0 BHADHN C[C@H](N[C@H]1c2ccccc2C[C@H]1C)c1ccco1 ZINC000089614035 345556499 /nfs/dbraw/zinc/55/64/99/345556499.db2.gz OAVWRXYZGULDHW-BFQNTYOBSA-N 0 3 241.334 3.864 20 0 BHADHN C[C@H](N[C@H]1c2ccccc2C[C@@H]1C)c1ccco1 ZINC000089614037 345556688 /nfs/dbraw/zinc/55/66/88/345556688.db2.gz OAVWRXYZGULDHW-MQIPJXDCSA-N 0 3 241.334 3.864 20 0 BHADHN C[C@H](N[C@@H]1c2ccccc2C[C@H]1C)c1ccco1 ZINC000089614040 345556653 /nfs/dbraw/zinc/55/66/53/345556653.db2.gz OAVWRXYZGULDHW-WQGACYEGSA-N 0 3 241.334 3.864 20 0 BHADHN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1C)c1ccco1 ZINC000089614045 345556480 /nfs/dbraw/zinc/55/64/80/345556480.db2.gz OAVWRXYZGULDHW-MKBNYLNASA-N 0 3 241.334 3.864 20 0 BHADHN Clc1cc2c(c(Cl)c1)CC[C@H]2NC1CC1 ZINC000089693424 388554832 /nfs/dbraw/zinc/55/48/32/388554832.db2.gz UGPJFHQKMJOWPB-GFCCVEGCSA-N 0 3 242.149 3.733 20 0 BHADHN Clc1cc2c(c(Cl)c1)CC[C@@H]2NC1CC1 ZINC000089693426 256828452 /nfs/dbraw/zinc/82/84/52/256828452.db2.gz UGPJFHQKMJOWPB-LBPRGKRZSA-N 0 3 242.149 3.733 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H]2CC=CCC2)o1 ZINC000090036190 384025467 /nfs/dbraw/zinc/02/54/67/384025467.db2.gz QFZFVUSZKJKTFP-NEPJUHHUSA-N 0 3 219.328 3.601 20 0 BHADHN CCc1ccc([C@H](C)N[C@H]2CC=CCC2)o1 ZINC000090036191 384026478 /nfs/dbraw/zinc/02/64/78/384026478.db2.gz QFZFVUSZKJKTFP-RYUDHWBXSA-N 0 3 219.328 3.601 20 0 BHADHN CCc1ccc([C@@H](C)N[C@@H]2CC=CCC2)o1 ZINC000090036192 384553415 /nfs/dbraw/zinc/55/34/15/384553415.db2.gz QFZFVUSZKJKTFP-VXGBXAGGSA-N 0 3 219.328 3.601 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H]2CC=CCC2)o1 ZINC000090036193 384552158 /nfs/dbraw/zinc/55/21/58/384552158.db2.gz QFZFVUSZKJKTFP-NWDGAFQWSA-N 0 3 219.328 3.601 20 0 BHADHN CC[C@@H](C)N[C@@H](C)c1nc2ccccc2n1CC ZINC000090036602 384024528 /nfs/dbraw/zinc/02/45/28/384024528.db2.gz LOKBJIRVXVBOIN-NEPJUHHUSA-N 0 3 245.370 3.505 20 0 BHADHN CC[C@H](C)N[C@@H](C)c1nc2ccccc2n1CC ZINC000090036603 171346495 /nfs/dbraw/zinc/34/64/95/171346495.db2.gz LOKBJIRVXVBOIN-RYUDHWBXSA-N 0 3 245.370 3.505 20 0 BHADHN CC[C@@H](C)N[C@H](C)c1nc2ccccc2n1CC ZINC000090036604 384025020 /nfs/dbraw/zinc/02/50/20/384025020.db2.gz LOKBJIRVXVBOIN-VXGBXAGGSA-N 0 3 245.370 3.505 20 0 BHADHN CC[C@H](C)N[C@H](C)c1nc2ccccc2n1CC ZINC000090036605 171347765 /nfs/dbraw/zinc/34/77/65/171347765.db2.gz LOKBJIRVXVBOIN-NWDGAFQWSA-N 0 3 245.370 3.505 20 0 BHADHN CC[C@@H](C)N[C@@H](C)c1csc(C(C)C)n1 ZINC000090048479 385211275 /nfs/dbraw/zinc/21/12/75/385211275.db2.gz NESCFPWZDJAAOY-ZJUUUORDSA-N 0 3 226.389 3.716 20 0 BHADHN CC[C@H](C)N[C@@H](C)c1csc(C(C)C)n1 ZINC000090048480 171346470 /nfs/dbraw/zinc/34/64/70/171346470.db2.gz NESCFPWZDJAAOY-UWVGGRQHSA-N 0 3 226.389 3.716 20 0 BHADHN CC[C@@H](C)N[C@H](C)c1csc(C(C)C)n1 ZINC000090048481 385211260 /nfs/dbraw/zinc/21/12/60/385211260.db2.gz NESCFPWZDJAAOY-NXEZZACHSA-N 0 3 226.389 3.716 20 0 BHADHN CC[C@H](C)N[C@H](C)c1csc(C(C)C)n1 ZINC000090048482 171347665 /nfs/dbraw/zinc/34/76/65/171347665.db2.gz NESCFPWZDJAAOY-VHSXEESVSA-N 0 3 226.389 3.716 20 0 BHADHN CC(C)c1nc([C@@H](C)NC2CCCC2)cs1 ZINC000090049660 256553861 /nfs/dbraw/zinc/55/38/61/256553861.db2.gz GOOROPCKHBXOKN-SNVBAGLBSA-N 0 3 238.400 3.860 20 0 BHADHN CC(C)c1nc([C@H](C)NC2CCCC2)cs1 ZINC000090049663 384553574 /nfs/dbraw/zinc/55/35/74/384553574.db2.gz GOOROPCKHBXOKN-JTQLQIEISA-N 0 3 238.400 3.860 20 0 BHADHN CC(C)c1nc([C@@H](C)N[C@@H](C)C(C)C)cs1 ZINC000090049709 384555012 /nfs/dbraw/zinc/55/50/12/384555012.db2.gz MKFWFNGAJDKZBF-WDEREUQCSA-N 0 3 240.416 3.962 20 0 BHADHN CC(C)c1nc([C@H](C)N[C@@H](C)C(C)C)cs1 ZINC000090049711 256554510 /nfs/dbraw/zinc/55/45/10/256554510.db2.gz MKFWFNGAJDKZBF-QWRGUYRKSA-N 0 3 240.416 3.962 20 0 BHADHN CC(C)c1nc([C@@H](C)N[C@H](C)C(C)C)cs1 ZINC000090049713 256554410 /nfs/dbraw/zinc/55/44/10/256554410.db2.gz MKFWFNGAJDKZBF-GHMZBOCLSA-N 0 3 240.416 3.962 20 0 BHADHN CC(C)c1nc([C@H](C)N[C@H](C)C(C)C)cs1 ZINC000090049715 256553869 /nfs/dbraw/zinc/55/38/69/256553869.db2.gz MKFWFNGAJDKZBF-MNOVXSKESA-N 0 3 240.416 3.962 20 0 BHADHN C[C@H](NCCCC(C)(C)C)c1ccccn1 ZINC000090076942 384029189 /nfs/dbraw/zinc/02/91/89/384029189.db2.gz PBBKIIBTFLWTPA-LBPRGKRZSA-N 0 3 220.360 3.559 20 0 BHADHN C[C@@H](NCCCC(C)(C)C)c1ccccn1 ZINC000090076943 384030159 /nfs/dbraw/zinc/03/01/59/384030159.db2.gz PBBKIIBTFLWTPA-GFCCVEGCSA-N 0 3 220.360 3.559 20 0 BHADHN C[C@H](NCCCC(C)(C)C)c1nccs1 ZINC000090076954 384574908 /nfs/dbraw/zinc/57/49/08/384574908.db2.gz NZPXCRLSXYVXOQ-JTQLQIEISA-N 0 3 226.389 3.620 20 0 BHADHN C[C@@H](NCCCC(C)(C)C)c1nccs1 ZINC000090076955 388745012 /nfs/dbraw/zinc/74/50/12/388745012.db2.gz NZPXCRLSXYVXOQ-SNVBAGLBSA-N 0 3 226.389 3.620 20 0 BHADHN C[C@H](NCCCC(C)(C)C)c1ccc(F)cn1 ZINC000090076984 364661885 /nfs/dbraw/zinc/66/18/85/364661885.db2.gz CSJTVDZXKBRPRB-NSHDSACASA-N 0 3 238.350 3.698 20 0 BHADHN C[C@@H](NCCCC(C)(C)C)c1ccc(F)cn1 ZINC000090076985 345563662 /nfs/dbraw/zinc/56/36/62/345563662.db2.gz CSJTVDZXKBRPRB-LLVKDONJSA-N 0 3 238.350 3.698 20 0 BHADHN C[C@H](NCCCC(C)(C)C)c1ccco1 ZINC000090077004 388745204 /nfs/dbraw/zinc/74/52/04/388745204.db2.gz DQXCMGSMMOYFKV-NSHDSACASA-N 0 3 209.333 3.757 20 0 BHADHN C[C@@H](NCCCC(C)(C)C)c1ccco1 ZINC000090077005 385276727 /nfs/dbraw/zinc/27/67/27/385276727.db2.gz DQXCMGSMMOYFKV-LLVKDONJSA-N 0 3 209.333 3.757 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1ccccn1 ZINC000090105344 344266291 /nfs/dbraw/zinc/26/62/91/344266291.db2.gz IZWOYBRJTAJSCR-JGGQBBKZSA-N 0 3 244.382 3.701 20 0 BHADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1ccccn1 ZINC000090105351 345570692 /nfs/dbraw/zinc/57/06/92/345570692.db2.gz IZWOYBRJTAJSCR-BJJXKVORSA-N 0 3 244.382 3.701 20 0 BHADHN CCC1(CN[C@@H](C)c2cccnc2Cl)CC1 ZINC000090219591 384036865 /nfs/dbraw/zinc/03/68/65/384036865.db2.gz KXPYVUAVCKLPLV-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN CCC1(CN[C@H](C)c2cccnc2Cl)CC1 ZINC000090219592 384036883 /nfs/dbraw/zinc/03/68/83/384036883.db2.gz KXPYVUAVCKLPLV-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN C[C@H](NCC1(C)CCC1)c1cccnc1Cl ZINC000090219997 384036187 /nfs/dbraw/zinc/03/61/87/384036187.db2.gz MEKBGDPTCPDDOQ-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCC1(C)CCC1)c1cccnc1Cl ZINC000090219998 384035042 /nfs/dbraw/zinc/03/50/42/384035042.db2.gz MEKBGDPTCPDDOQ-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN CC(C)CC(C)(C)CN[C@@H](C)c1ccccn1 ZINC000090228153 388746594 /nfs/dbraw/zinc/74/65/94/388746594.db2.gz VCGMIOYXRINENI-ZDUSSCGKSA-N 0 3 234.387 3.805 20 0 BHADHN CC(C)CC(C)(C)CN[C@H](C)c1ccccn1 ZINC000090228155 388746731 /nfs/dbraw/zinc/74/67/31/388746731.db2.gz VCGMIOYXRINENI-CYBMUJFWSA-N 0 3 234.387 3.805 20 0 BHADHN CC(C)CC(C)(C)CN[C@@H](C)c1nccs1 ZINC000090228170 384035004 /nfs/dbraw/zinc/03/50/04/384035004.db2.gz JOXWDIITDZUGSH-NSHDSACASA-N 0 3 240.416 3.866 20 0 BHADHN CC(C)CC(C)(C)CN[C@H](C)c1nccs1 ZINC000090228172 384036092 /nfs/dbraw/zinc/03/60/92/384036092.db2.gz JOXWDIITDZUGSH-LLVKDONJSA-N 0 3 240.416 3.866 20 0 BHADHN Cc1ccc([C@@H](C)NCC2(C(C)C)CC2)o1 ZINC000090230487 384034811 /nfs/dbraw/zinc/03/48/11/384034811.db2.gz LQJHSCGTFOBJRK-GFCCVEGCSA-N 0 3 221.344 3.675 20 0 BHADHN Cc1ccc([C@H](C)NCC2(C(C)C)CC2)o1 ZINC000090230489 384036945 /nfs/dbraw/zinc/03/69/45/384036945.db2.gz LQJHSCGTFOBJRK-LBPRGKRZSA-N 0 3 221.344 3.675 20 0 BHADHN CC(C)CC1(CN[C@@H](C)c2ccccn2)CC1 ZINC000090234443 385219310 /nfs/dbraw/zinc/21/93/10/385219310.db2.gz ODWHDFXDXKGIDC-ZDUSSCGKSA-N 0 3 232.371 3.559 20 0 BHADHN CC(C)CC1(CN[C@H](C)c2ccccn2)CC1 ZINC000090234445 385217531 /nfs/dbraw/zinc/21/75/31/385217531.db2.gz ODWHDFXDXKGIDC-CYBMUJFWSA-N 0 3 232.371 3.559 20 0 BHADHN CC(C)CC1(CN[C@@H](C)c2nccs2)CC1 ZINC000090234477 384638823 /nfs/dbraw/zinc/63/88/23/384638823.db2.gz KYKGRFFGXMXLLE-NSHDSACASA-N 0 3 238.400 3.620 20 0 BHADHN CC(C)CC1(CN[C@H](C)c2nccs2)CC1 ZINC000090234480 384639727 /nfs/dbraw/zinc/63/97/27/384639727.db2.gz KYKGRFFGXMXLLE-LLVKDONJSA-N 0 3 238.400 3.620 20 0 BHADHN CC(C)CC1(CN[C@@H](C)c2ccco2)CC1 ZINC000090234597 384639409 /nfs/dbraw/zinc/63/94/09/384639409.db2.gz ATPGCCMMBJKPKU-LBPRGKRZSA-N 0 3 221.344 3.757 20 0 BHADHN CC(C)CC1(CN[C@H](C)c2ccco2)CC1 ZINC000090234598 384639073 /nfs/dbraw/zinc/63/90/73/384639073.db2.gz ATPGCCMMBJKPKU-GFCCVEGCSA-N 0 3 221.344 3.757 20 0 BHADHN COc1ccc(C)cc1[C@@H](C)N[C@H]1C=CCCC1 ZINC000090393415 345567790 /nfs/dbraw/zinc/56/77/90/345567790.db2.gz WUWPCJDPAUGVSL-KGLIPLIRSA-N 0 3 245.366 3.763 20 0 BHADHN COc1ccc(C)cc1[C@H](C)N[C@H]1C=CCCC1 ZINC000090393416 345567562 /nfs/dbraw/zinc/56/75/62/345567562.db2.gz WUWPCJDPAUGVSL-KBPBESRZSA-N 0 3 245.366 3.763 20 0 BHADHN COc1ccc(C)cc1[C@@H](C)N[C@@H]1C=CCCC1 ZINC000090393417 345568006 /nfs/dbraw/zinc/56/80/06/345568006.db2.gz WUWPCJDPAUGVSL-ZIAGYGMSSA-N 0 3 245.366 3.763 20 0 BHADHN COc1ccc(C)cc1[C@H](C)N[C@@H]1C=CCCC1 ZINC000090393418 345567974 /nfs/dbraw/zinc/56/79/74/345567974.db2.gz WUWPCJDPAUGVSL-UONOGXRCSA-N 0 3 245.366 3.763 20 0 BHADHN COc1ccc(F)cc1[C@H](C)N[C@H]1C=CCCC1 ZINC000090393419 388747429 /nfs/dbraw/zinc/74/74/29/388747429.db2.gz OSTHLGXDOKUKGM-AAEUAGOBSA-N 0 3 249.329 3.594 20 0 BHADHN COc1ccc(F)cc1[C@@H](C)N[C@H]1C=CCCC1 ZINC000090393420 388747001 /nfs/dbraw/zinc/74/70/01/388747001.db2.gz OSTHLGXDOKUKGM-YPMHNXCESA-N 0 3 249.329 3.594 20 0 BHADHN COc1ccc(F)cc1[C@H](C)N[C@@H]1C=CCCC1 ZINC000090393421 388747089 /nfs/dbraw/zinc/74/70/89/388747089.db2.gz OSTHLGXDOKUKGM-WCQYABFASA-N 0 3 249.329 3.594 20 0 BHADHN COc1ccc(F)cc1[C@@H](C)N[C@@H]1C=CCCC1 ZINC000090393422 388747348 /nfs/dbraw/zinc/74/73/48/388747348.db2.gz OSTHLGXDOKUKGM-DGCLKSJQSA-N 0 3 249.329 3.594 20 0 BHADHN C[C@@H](N[C@H]1C=CCCC1)c1cccs1 ZINC000090393428 353387427 /nfs/dbraw/zinc/38/74/27/353387427.db2.gz DHUIHDONLIHRGI-MNOVXSKESA-N 0 3 207.342 3.507 20 0 BHADHN C[C@@H](N[C@@H]1C=CCCC1)c1cccs1 ZINC000090393430 353387737 /nfs/dbraw/zinc/38/77/37/353387737.db2.gz DHUIHDONLIHRGI-GHMZBOCLSA-N 0 3 207.342 3.507 20 0 BHADHN C[C@H](N[C@H]1C=CCCC1)c1ccc(F)cc1F ZINC000090393555 388747147 /nfs/dbraw/zinc/74/71/47/388747147.db2.gz YQVDJUQBDXZADS-JQWIXIFHSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@@H](N[C@H]1C=CCCC1)c1ccc(F)cc1F ZINC000090393556 388747424 /nfs/dbraw/zinc/74/74/24/388747424.db2.gz YQVDJUQBDXZADS-PWSUYJOCSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@H](N[C@@H]1C=CCCC1)c1ccc(F)cc1F ZINC000090393557 388747487 /nfs/dbraw/zinc/74/74/87/388747487.db2.gz YQVDJUQBDXZADS-CMPLNLGQSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@@H](N[C@@H]1C=CCCC1)c1ccc(F)cc1F ZINC000090393558 388747365 /nfs/dbraw/zinc/74/73/65/388747365.db2.gz YQVDJUQBDXZADS-ZYHUDNBSSA-N 0 3 237.293 3.724 20 0 BHADHN COc1ccc([C@H](C)N[C@H]2C=CCCC2)cc1F ZINC000090393571 388747228 /nfs/dbraw/zinc/74/72/28/388747228.db2.gz WSEBANUMXNTXSD-AAEUAGOBSA-N 0 3 249.329 3.594 20 0 BHADHN COc1ccc([C@@H](C)N[C@H]2C=CCCC2)cc1F ZINC000090393572 388747153 /nfs/dbraw/zinc/74/71/53/388747153.db2.gz WSEBANUMXNTXSD-YPMHNXCESA-N 0 3 249.329 3.594 20 0 BHADHN COc1ccc([C@H](C)N[C@@H]2C=CCCC2)cc1F ZINC000090393573 388747560 /nfs/dbraw/zinc/74/75/60/388747560.db2.gz WSEBANUMXNTXSD-WCQYABFASA-N 0 3 249.329 3.594 20 0 BHADHN COc1ccc([C@@H](C)N[C@@H]2C=CCCC2)cc1F ZINC000090393574 388747399 /nfs/dbraw/zinc/74/73/99/388747399.db2.gz WSEBANUMXNTXSD-DGCLKSJQSA-N 0 3 249.329 3.594 20 0 BHADHN C[C@H](N[C@H]1C=CCCC1)c1ccsc1 ZINC000090393605 582685464 /nfs/dbraw/zinc/68/54/64/582685464.db2.gz ZZQIBBCHIZGPPB-JQWIXIFHSA-N 0 3 207.342 3.507 20 0 BHADHN C[C@@H](N[C@H]1C=CCCC1)c1ccsc1 ZINC000090393606 491124613 /nfs/dbraw/zinc/12/46/13/491124613.db2.gz ZZQIBBCHIZGPPB-PWSUYJOCSA-N 0 3 207.342 3.507 20 0 BHADHN C[C@H](N[C@@H]1C=CCCC1)c1ccsc1 ZINC000090393607 491124619 /nfs/dbraw/zinc/12/46/19/491124619.db2.gz ZZQIBBCHIZGPPB-CMPLNLGQSA-N 0 3 207.342 3.507 20 0 BHADHN C[C@@H](N[C@@H]1C=CCCC1)c1ccsc1 ZINC000090393608 491124611 /nfs/dbraw/zinc/12/46/11/491124611.db2.gz ZZQIBBCHIZGPPB-ZYHUDNBSSA-N 0 3 207.342 3.507 20 0 BHADHN CCCC1(CN[C@@H](C)c2ccccn2)CCC1 ZINC000090399622 384022047 /nfs/dbraw/zinc/02/20/47/384022047.db2.gz DPSYEYFYZXMWHO-ZDUSSCGKSA-N 0 3 232.371 3.703 20 0 BHADHN CCCC1(CN[C@H](C)c2ccccn2)CCC1 ZINC000090399623 384021369 /nfs/dbraw/zinc/02/13/69/384021369.db2.gz DPSYEYFYZXMWHO-CYBMUJFWSA-N 0 3 232.371 3.703 20 0 BHADHN CCCC1(CN[C@@H](C)c2nccs2)CCC1 ZINC000090399647 384044785 /nfs/dbraw/zinc/04/47/85/384044785.db2.gz SSMKZGFGQVDSOG-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN CCCC1(CN[C@H](C)c2nccs2)CCC1 ZINC000090399649 384044817 /nfs/dbraw/zinc/04/48/17/384044817.db2.gz SSMKZGFGQVDSOG-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN Cc1ncc([C@H](C)NCc2ccc(C)cc2)s1 ZINC000090399666 491124959 /nfs/dbraw/zinc/12/49/59/491124959.db2.gz PBVAGVSUYXMAAD-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ncc([C@@H](C)NCc2ccc(C)cc2)s1 ZINC000090399667 491124961 /nfs/dbraw/zinc/12/49/61/491124961.db2.gz PBVAGVSUYXMAAD-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ncc([C@H](C)NCc2ccccc2C)s1 ZINC000090400070 631284472 /nfs/dbraw/zinc/28/44/72/631284472.db2.gz JJBMZHDPYZNAFY-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ncc([C@@H](C)NCc2ccccc2C)s1 ZINC000090400071 491082276 /nfs/dbraw/zinc/08/22/76/491082276.db2.gz JJBMZHDPYZNAFY-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ncc([C@H](C)NCc2cccc(C)c2)s1 ZINC000090401206 491125383 /nfs/dbraw/zinc/12/53/83/491125383.db2.gz FEXYJAMMEWZRIK-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ncc([C@@H](C)NCc2cccc(C)c2)s1 ZINC000090401208 491125385 /nfs/dbraw/zinc/12/53/85/491125385.db2.gz FEXYJAMMEWZRIK-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN CCCC1(CN[C@@H](C)c2ccco2)CC1 ZINC000090402448 384754119 /nfs/dbraw/zinc/75/41/19/384754119.db2.gz ROOOJTMWQMASOI-NSHDSACASA-N 0 3 207.317 3.511 20 0 BHADHN CCCC1(CN[C@H](C)c2ccco2)CC1 ZINC000090402450 384754647 /nfs/dbraw/zinc/75/46/47/384754647.db2.gz ROOOJTMWQMASOI-LLVKDONJSA-N 0 3 207.317 3.511 20 0 BHADHN C[C@H](NCc1nc(C2CC2)cs1)C(C)(C)C ZINC000090458798 384049700 /nfs/dbraw/zinc/04/97/00/384049700.db2.gz NNMRWDYMZROZIW-VIFPVBQESA-N 0 3 238.400 3.545 20 0 BHADHN C[C@@H](NCc1nc(C2CC2)cs1)C(C)(C)C ZINC000090458800 384051169 /nfs/dbraw/zinc/05/11/69/384051169.db2.gz NNMRWDYMZROZIW-SECBINFHSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@@H](C)[C@@H](C)NCc1nc(C2CC2)cs1 ZINC000090459550 256582031 /nfs/dbraw/zinc/58/20/31/256582031.db2.gz VNJVBBRBTAZQDJ-NXEZZACHSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@H](C)[C@@H](C)NCc1nc(C2CC2)cs1 ZINC000090459552 384049349 /nfs/dbraw/zinc/04/93/49/384049349.db2.gz VNJVBBRBTAZQDJ-VHSXEESVSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@@H](C)[C@H](C)NCc1nc(C2CC2)cs1 ZINC000090459554 384050445 /nfs/dbraw/zinc/05/04/45/384050445.db2.gz VNJVBBRBTAZQDJ-ZJUUUORDSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1nc(C2CC2)cs1 ZINC000090459555 384051056 /nfs/dbraw/zinc/05/10/56/384051056.db2.gz VNJVBBRBTAZQDJ-UWVGGRQHSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@H](NCc1nc(C2CC2)cs1)C(C)C ZINC000090460092 256581823 /nfs/dbraw/zinc/58/18/23/256581823.db2.gz XVTTYTDGIFEQCJ-NSHDSACASA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@@H](NCc1nc(C2CC2)cs1)C(C)C ZINC000090460096 256581276 /nfs/dbraw/zinc/58/12/76/256581276.db2.gz XVTTYTDGIFEQCJ-LLVKDONJSA-N 0 3 238.400 3.545 20 0 BHADHN Cc1cccc(C)c1CCN[C@@H](C)c1ccco1 ZINC000090469145 325677091 /nfs/dbraw/zinc/67/70/91/325677091.db2.gz MOADIOXYHHAZBB-AWEZNQCLSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1cccc(C)c1CCN[C@H](C)c1ccco1 ZINC000090469146 388747808 /nfs/dbraw/zinc/74/78/08/388747808.db2.gz MOADIOXYHHAZBB-CQSZACIVSA-N 0 3 243.350 3.790 20 0 BHADHN CCC[C@@H](C)[C@@H](CC)NCc1ncccc1F ZINC000090720558 345574482 /nfs/dbraw/zinc/57/44/82/345574482.db2.gz AXIALUJZVXVCHN-DGCLKSJQSA-N 0 3 238.350 3.525 20 0 BHADHN CCC[C@H](C)[C@@H](CC)NCc1ncccc1F ZINC000090720559 345574672 /nfs/dbraw/zinc/57/46/72/345574672.db2.gz AXIALUJZVXVCHN-WCQYABFASA-N 0 3 238.350 3.525 20 0 BHADHN CCC[C@@H](C)[C@H](CC)NCc1ncccc1F ZINC000090720561 345574328 /nfs/dbraw/zinc/57/43/28/345574328.db2.gz AXIALUJZVXVCHN-YPMHNXCESA-N 0 3 238.350 3.525 20 0 BHADHN CCC[C@H](C)[C@H](CC)NCc1ncccc1F ZINC000090720563 345574558 /nfs/dbraw/zinc/57/45/58/345574558.db2.gz AXIALUJZVXVCHN-AAEUAGOBSA-N 0 3 238.350 3.525 20 0 BHADHN Cc1ccc([C@@H](C)NCC2(C3CC3)CCC2)o1 ZINC000090724211 398111451 /nfs/dbraw/zinc/11/14/51/398111451.db2.gz WOTKUTXGCQVOQZ-GFCCVEGCSA-N 0 3 233.355 3.819 20 0 BHADHN Cc1ccc([C@H](C)NCC2(C3CC3)CCC2)o1 ZINC000090724212 398111576 /nfs/dbraw/zinc/11/15/76/398111576.db2.gz WOTKUTXGCQVOQZ-LBPRGKRZSA-N 0 3 233.355 3.819 20 0 BHADHN C[C@H](NCC1(C2CC2)CCC1)c1ccco1 ZINC000090724377 384071710 /nfs/dbraw/zinc/07/17/10/384071710.db2.gz FMWVFHQPKLWXMQ-NSHDSACASA-N 0 3 219.328 3.511 20 0 BHADHN C[C@@H](NCC1(C2CC2)CCC1)c1ccco1 ZINC000090724378 384071041 /nfs/dbraw/zinc/07/10/41/384071041.db2.gz FMWVFHQPKLWXMQ-LLVKDONJSA-N 0 3 219.328 3.511 20 0 BHADHN CC(C)C[C@@H](C)N[C@@H](C)c1cccnc1Cl ZINC000090724608 384071381 /nfs/dbraw/zinc/07/13/81/384071381.db2.gz UNPPDRQYMGKIQT-MNOVXSKESA-N 0 3 240.778 3.820 20 0 BHADHN CC(C)C[C@H](C)N[C@@H](C)c1cccnc1Cl ZINC000090724609 384071529 /nfs/dbraw/zinc/07/15/29/384071529.db2.gz UNPPDRQYMGKIQT-QWRGUYRKSA-N 0 3 240.778 3.820 20 0 BHADHN CC(C)C[C@@H](C)N[C@H](C)c1cccnc1Cl ZINC000090724610 384072153 /nfs/dbraw/zinc/07/21/53/384072153.db2.gz UNPPDRQYMGKIQT-GHMZBOCLSA-N 0 3 240.778 3.820 20 0 BHADHN CC(C)C[C@H](C)N[C@H](C)c1cccnc1Cl ZINC000090724611 384072161 /nfs/dbraw/zinc/07/21/61/384072161.db2.gz UNPPDRQYMGKIQT-WDEREUQCSA-N 0 3 240.778 3.820 20 0 BHADHN CS[C@@H](C)CN[C@@H](C)c1cc2ccccc2o1 ZINC000090725766 384071869 /nfs/dbraw/zinc/07/18/69/384071869.db2.gz VXHBQQFDKURMRX-QWRGUYRKSA-N 0 3 249.379 3.835 20 0 BHADHN CS[C@H](C)CN[C@@H](C)c1cc2ccccc2o1 ZINC000090725767 384071636 /nfs/dbraw/zinc/07/16/36/384071636.db2.gz VXHBQQFDKURMRX-MNOVXSKESA-N 0 3 249.379 3.835 20 0 BHADHN CS[C@@H](C)CN[C@H](C)c1cc2ccccc2o1 ZINC000090725769 384070295 /nfs/dbraw/zinc/07/02/95/384070295.db2.gz VXHBQQFDKURMRX-WDEREUQCSA-N 0 3 249.379 3.835 20 0 BHADHN CS[C@H](C)CN[C@H](C)c1cc2ccccc2o1 ZINC000090725772 384071889 /nfs/dbraw/zinc/07/18/89/384071889.db2.gz VXHBQQFDKURMRX-GHMZBOCLSA-N 0 3 249.379 3.835 20 0 BHADHN CCc1ccc([C@@H](C)NCC2(C3CC3)CC2)o1 ZINC000090772932 135553200 /nfs/dbraw/zinc/55/32/00/135553200.db2.gz QYNYRSFRXODNKT-LLVKDONJSA-N 0 3 233.355 3.683 20 0 BHADHN CCc1ccc([C@H](C)NCC2(C3CC3)CC2)o1 ZINC000090772933 360086266 /nfs/dbraw/zinc/08/62/66/360086266.db2.gz QYNYRSFRXODNKT-NSHDSACASA-N 0 3 233.355 3.683 20 0 BHADHN CC(C)CSCCCN[C@@H](C)c1ccco1 ZINC000090882014 384082230 /nfs/dbraw/zinc/08/22/30/384082230.db2.gz JCUPEUARWFMRKF-LBPRGKRZSA-N 0 3 241.400 3.710 20 0 BHADHN CC(C)CSCCCN[C@H](C)c1ccco1 ZINC000090882015 384083324 /nfs/dbraw/zinc/08/33/24/384083324.db2.gz JCUPEUARWFMRKF-GFCCVEGCSA-N 0 3 241.400 3.710 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000090963266 256582736 /nfs/dbraw/zinc/58/27/36/256582736.db2.gz ADMDFOCFVVIJFB-ZJUUUORDSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000090963267 384084677 /nfs/dbraw/zinc/08/46/77/384084677.db2.gz ADMDFOCFVVIJFB-UWVGGRQHSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1cccc(F)c1F ZINC000090963268 384086810 /nfs/dbraw/zinc/08/68/10/384086810.db2.gz ADMDFOCFVVIJFB-NXEZZACHSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1cccc(F)c1F ZINC000090963269 384085373 /nfs/dbraw/zinc/08/53/73/384085373.db2.gz ADMDFOCFVVIJFB-VHSXEESVSA-N 0 3 227.298 3.804 20 0 BHADHN C[C@H](N[C@@H](C)C1CCC1)c1cccc(F)c1F ZINC000090963708 383920535 /nfs/dbraw/zinc/92/05/35/383920535.db2.gz HNNXIATYRQJVSH-UWVGGRQHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)C1CCC1)c1cccc(F)c1F ZINC000090963709 256575529 /nfs/dbraw/zinc/57/55/29/256575529.db2.gz HNNXIATYRQJVSH-VHSXEESVSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccc(F)c1F)C1CCC1 ZINC000090963710 383921035 /nfs/dbraw/zinc/92/10/35/383921035.db2.gz HNNXIATYRQJVSH-ZJUUUORDSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H](C)C1CCC1)c1cccc(F)c1F ZINC000090963711 383921404 /nfs/dbraw/zinc/92/14/04/383921404.db2.gz HNNXIATYRQJVSH-NXEZZACHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](NC1CCCC1)c1cccc(F)c1F ZINC000090963762 384085805 /nfs/dbraw/zinc/08/58/05/384085805.db2.gz ZAQXHCRGAVUJKR-VIFPVBQESA-N 0 3 225.282 3.558 20 0 BHADHN C[C@@H](NC1CCCC1)c1cccc(F)c1F ZINC000090963763 383921615 /nfs/dbraw/zinc/92/16/15/383921615.db2.gz ZAQXHCRGAVUJKR-SECBINFHSA-N 0 3 225.282 3.558 20 0 BHADHN CCC(CC)N[C@@H](C)c1cccc(F)c1F ZINC000090963772 383921434 /nfs/dbraw/zinc/92/14/34/383921434.db2.gz PRGRSLUZMMAZJO-VIFPVBQESA-N 0 3 227.298 3.804 20 0 BHADHN CCC(CC)N[C@H](C)c1cccc(F)c1F ZINC000090963773 383921249 /nfs/dbraw/zinc/92/12/49/383921249.db2.gz PRGRSLUZMMAZJO-SECBINFHSA-N 0 3 227.298 3.804 20 0 BHADHN CC(C)[C@@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000090963782 256575860 /nfs/dbraw/zinc/57/58/60/256575860.db2.gz FQXHFNGOEQYBCM-ZJUUUORDSA-N 0 3 227.298 3.660 20 0 BHADHN CC(C)[C@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000090963783 383920059 /nfs/dbraw/zinc/92/00/59/383920059.db2.gz FQXHFNGOEQYBCM-UWVGGRQHSA-N 0 3 227.298 3.660 20 0 BHADHN CC(C)[C@@H](C)N[C@H](C)c1cccc(F)c1F ZINC000090963784 383920760 /nfs/dbraw/zinc/92/07/60/383920760.db2.gz FQXHFNGOEQYBCM-NXEZZACHSA-N 0 3 227.298 3.660 20 0 BHADHN CC(C)[C@H](C)N[C@H](C)c1cccc(F)c1F ZINC000090963785 383921490 /nfs/dbraw/zinc/92/14/90/383921490.db2.gz FQXHFNGOEQYBCM-VHSXEESVSA-N 0 3 227.298 3.660 20 0 BHADHN C[C@@H](CC1CC1)N[C@@H](C)c1cccc(F)c1F ZINC000090963914 383920327 /nfs/dbraw/zinc/92/03/27/383920327.db2.gz JQTLRYLBVPRDKG-UWVGGRQHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](CC1CC1)N[C@@H](C)c1cccc(F)c1F ZINC000090963915 383921392 /nfs/dbraw/zinc/92/13/92/383921392.db2.gz JQTLRYLBVPRDKG-ZJUUUORDSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)CC1CC1)c1cccc(F)c1F ZINC000090963916 383920819 /nfs/dbraw/zinc/92/08/19/383920819.db2.gz JQTLRYLBVPRDKG-VHSXEESVSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](CC1CC1)N[C@H](C)c1cccc(F)c1F ZINC000090963917 256575460 /nfs/dbraw/zinc/57/54/60/256575460.db2.gz JQTLRYLBVPRDKG-NXEZZACHSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](NCc1cc[nH]c1)c1cccc(Cl)c1 ZINC000090994331 384089304 /nfs/dbraw/zinc/08/93/04/384089304.db2.gz NDDIUXMLDBPPHM-AWEZNQCLSA-N 0 3 248.757 3.909 20 0 BHADHN CC[C@@H](NCc1cc[nH]c1)c1cccc(Cl)c1 ZINC000090994332 344275603 /nfs/dbraw/zinc/27/56/03/344275603.db2.gz NDDIUXMLDBPPHM-CQSZACIVSA-N 0 3 248.757 3.909 20 0 BHADHN CC(C)[C@H](NCc1cc[nH]c1)c1ccc(F)cc1 ZINC000090994404 360096875 /nfs/dbraw/zinc/09/68/75/360096875.db2.gz XWDBRCVLBJODDW-HNNXBMFYSA-N 0 3 246.329 3.641 20 0 BHADHN CC(C)[C@@H](NCc1cc[nH]c1)c1ccc(F)cc1 ZINC000090994405 135557666 /nfs/dbraw/zinc/55/76/66/135557666.db2.gz XWDBRCVLBJODDW-OAHLLOKOSA-N 0 3 246.329 3.641 20 0 BHADHN CC[C@H](NCc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000090994423 360096697 /nfs/dbraw/zinc/09/66/97/360096697.db2.gz UAUOZZSONXVGBJ-AWEZNQCLSA-N 0 3 248.757 3.909 20 0 BHADHN CC[C@@H](NCc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000090994424 360097922 /nfs/dbraw/zinc/09/79/22/360097922.db2.gz UAUOZZSONXVGBJ-CQSZACIVSA-N 0 3 248.757 3.909 20 0 BHADHN CSc1ccc([C@H](C)NCc2cc[nH]c2)cc1 ZINC000090994445 491127171 /nfs/dbraw/zinc/12/71/71/491127171.db2.gz QSUWKVYZIBZHDQ-NSHDSACASA-N 0 3 246.379 3.587 20 0 BHADHN CSc1ccc([C@@H](C)NCc2cc[nH]c2)cc1 ZINC000090994446 387205570 /nfs/dbraw/zinc/20/55/70/387205570.db2.gz QSUWKVYZIBZHDQ-LLVKDONJSA-N 0 3 246.379 3.587 20 0 BHADHN CC[C@H](NCc1cc[nH]c1)c1ccc(C)cc1 ZINC000090994495 360098389 /nfs/dbraw/zinc/09/83/89/360098389.db2.gz KJNNAXYLKIUUCB-HNNXBMFYSA-N 0 3 228.339 3.564 20 0 BHADHN CC[C@@H](NCc1cc[nH]c1)c1ccc(C)cc1 ZINC000090994496 360097990 /nfs/dbraw/zinc/09/79/90/360097990.db2.gz KJNNAXYLKIUUCB-OAHLLOKOSA-N 0 3 228.339 3.564 20 0 BHADHN CCC[C@H](NCc1cc[nH]c1)c1ccccc1 ZINC000090994519 384090114 /nfs/dbraw/zinc/09/01/14/384090114.db2.gz PWTXVXIRZJCOMZ-HNNXBMFYSA-N 0 3 228.339 3.646 20 0 BHADHN CCC[C@@H](NCc1cc[nH]c1)c1ccccc1 ZINC000090994520 384089037 /nfs/dbraw/zinc/08/90/37/384089037.db2.gz PWTXVXIRZJCOMZ-OAHLLOKOSA-N 0 3 228.339 3.646 20 0 BHADHN C[C@H](NCc1ccn(C)c1)c1ccc(Cl)cc1 ZINC000091007184 384088897 /nfs/dbraw/zinc/08/88/97/384088897.db2.gz BFGQQAMNSRMSDY-NSHDSACASA-N 0 3 248.757 3.529 20 0 BHADHN C[C@@H](NCc1ccn(C)c1)c1ccc(Cl)cc1 ZINC000091007185 384090500 /nfs/dbraw/zinc/09/05/00/384090500.db2.gz BFGQQAMNSRMSDY-LLVKDONJSA-N 0 3 248.757 3.529 20 0 BHADHN C[C@H](NCc1ccn(C)c1)c1cccc(Cl)c1 ZINC000091007201 384089787 /nfs/dbraw/zinc/08/97/87/384089787.db2.gz RHNDQNIIILPEPJ-NSHDSACASA-N 0 3 248.757 3.529 20 0 BHADHN C[C@@H](NCc1ccn(C)c1)c1cccc(Cl)c1 ZINC000091007204 384089406 /nfs/dbraw/zinc/08/94/06/384089406.db2.gz RHNDQNIIILPEPJ-LLVKDONJSA-N 0 3 248.757 3.529 20 0 BHADHN CC(C)[C@H](NCc1ccn(C)c1)c1ccccc1 ZINC000091007673 360098289 /nfs/dbraw/zinc/09/82/89/360098289.db2.gz GYHKHVYZLMYQIX-INIZCTEOSA-N 0 3 242.366 3.512 20 0 BHADHN CC(C)[C@@H](NCc1ccn(C)c1)c1ccccc1 ZINC000091007676 360098403 /nfs/dbraw/zinc/09/84/03/360098403.db2.gz GYHKHVYZLMYQIX-MRXNPFEDSA-N 0 3 242.366 3.512 20 0 BHADHN CC[C@H](NCc1ccn(C)c1)c1ccc(C)cc1 ZINC000091007922 384089001 /nfs/dbraw/zinc/08/90/01/384089001.db2.gz OQNOJIFKXQATCD-INIZCTEOSA-N 0 3 242.366 3.574 20 0 BHADHN CC[C@@H](NCc1ccn(C)c1)c1ccc(C)cc1 ZINC000091007923 344275598 /nfs/dbraw/zinc/27/55/98/344275598.db2.gz OQNOJIFKXQATCD-MRXNPFEDSA-N 0 3 242.366 3.574 20 0 BHADHN CCC[C@H](NCc1ccn(C)c1)c1ccccc1 ZINC000091007977 384090127 /nfs/dbraw/zinc/09/01/27/384090127.db2.gz TXZAXEMPBZXWGT-INIZCTEOSA-N 0 3 242.366 3.656 20 0 BHADHN CCC[C@@H](NCc1ccn(C)c1)c1ccccc1 ZINC000091007983 384088943 /nfs/dbraw/zinc/08/89/43/384088943.db2.gz TXZAXEMPBZXWGT-MRXNPFEDSA-N 0 3 242.366 3.656 20 0 BHADHN Cc1cc([C@@H](C)NCc2ccn(C)c2)c(C)s1 ZINC000091008260 178229069 /nfs/dbraw/zinc/22/90/69/178229069.db2.gz PUBQKBBRMZKFJL-LLVKDONJSA-N 0 3 248.395 3.554 20 0 BHADHN Cc1cc([C@H](C)NCc2ccn(C)c2)c(C)s1 ZINC000091008262 178251917 /nfs/dbraw/zinc/25/19/17/178251917.db2.gz PUBQKBBRMZKFJL-NSHDSACASA-N 0 3 248.395 3.554 20 0 BHADHN COc1ccccc1[C@H](NC1CC1)C1CCCC1 ZINC000091261573 325685196 /nfs/dbraw/zinc/68/51/96/325685196.db2.gz CRIQNRAWZZDHHY-MRXNPFEDSA-N 0 3 245.366 3.679 20 0 BHADHN COc1ccccc1[C@@H](NC1CC1)C1CCCC1 ZINC000091261575 388762017 /nfs/dbraw/zinc/76/20/17/388762017.db2.gz CRIQNRAWZZDHHY-INIZCTEOSA-N 0 3 245.366 3.679 20 0 BHADHN CC(C)[C@H](NCc1ccccc1)c1cccnc1 ZINC000091262936 345590292 /nfs/dbraw/zinc/59/02/92/345590292.db2.gz KPXZHBAHVCHNNB-INIZCTEOSA-N 0 3 240.350 3.569 20 0 BHADHN CC(C)[C@@H](NCc1ccccc1)c1cccnc1 ZINC000091262938 345590621 /nfs/dbraw/zinc/59/06/21/345590621.db2.gz KPXZHBAHVCHNNB-MRXNPFEDSA-N 0 3 240.350 3.569 20 0 BHADHN CC(C)[C@H](NCc1cccs1)c1cccnc1 ZINC000091264393 345590571 /nfs/dbraw/zinc/59/05/71/345590571.db2.gz AGCGDUYNTSLPEZ-AWEZNQCLSA-N 0 3 246.379 3.630 20 0 BHADHN CC(C)[C@@H](NCc1cccs1)c1cccnc1 ZINC000091264395 345590659 /nfs/dbraw/zinc/59/06/59/345590659.db2.gz AGCGDUYNTSLPEZ-CQSZACIVSA-N 0 3 246.379 3.630 20 0 BHADHN CC(C)[C@H](NCc1ccsc1)c1cccnc1 ZINC000091285410 345590637 /nfs/dbraw/zinc/59/06/37/345590637.db2.gz DBQWTCJYFRULRO-AWEZNQCLSA-N 0 3 246.379 3.630 20 0 BHADHN CC(C)[C@@H](NCc1ccsc1)c1cccnc1 ZINC000091285411 345590307 /nfs/dbraw/zinc/59/03/07/345590307.db2.gz DBQWTCJYFRULRO-CQSZACIVSA-N 0 3 246.379 3.630 20 0 BHADHN CC(C)[C@H](NCCCF)c1ccccc1Cl ZINC000091399122 384126481 /nfs/dbraw/zinc/12/64/81/384126481.db2.gz WZTRQLSRUDDOCL-ZDUSSCGKSA-N 0 3 243.753 3.986 20 0 BHADHN CC(C)[C@@H](NCCCF)c1ccccc1Cl ZINC000091399124 383971339 /nfs/dbraw/zinc/97/13/39/383971339.db2.gz WZTRQLSRUDDOCL-CYBMUJFWSA-N 0 3 243.753 3.986 20 0 BHADHN CC[C@@H](CSC)N[C@@H](C)c1ccccc1F ZINC000091555059 384134139 /nfs/dbraw/zinc/13/41/39/384134139.db2.gz YNNCWDLSHOEBDK-QWRGUYRKSA-N 0 3 241.375 3.618 20 0 BHADHN CC[C@H](CSC)N[C@@H](C)c1ccccc1F ZINC000091555061 384132401 /nfs/dbraw/zinc/13/24/01/384132401.db2.gz YNNCWDLSHOEBDK-WDEREUQCSA-N 0 3 241.375 3.618 20 0 BHADHN CC[C@@H](CSC)N[C@H](C)c1ccccc1F ZINC000091555062 383981298 /nfs/dbraw/zinc/98/12/98/383981298.db2.gz YNNCWDLSHOEBDK-MNOVXSKESA-N 0 3 241.375 3.618 20 0 BHADHN CC[C@H](CSC)N[C@H](C)c1ccccc1F ZINC000091555064 384133692 /nfs/dbraw/zinc/13/36/92/384133692.db2.gz YNNCWDLSHOEBDK-GHMZBOCLSA-N 0 3 241.375 3.618 20 0 BHADHN C=CCCC[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000091619344 644634712 /nfs/dbraw/zinc/63/47/12/644634712.db2.gz OVJKLLHNKGXBQE-ZDUSSCGKSA-N 0 3 233.355 3.569 20 0 BHADHN C=CCCC[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000091619344 644634708 /nfs/dbraw/zinc/63/47/08/644634708.db2.gz OVJKLLHNKGXBQE-ZDUSSCGKSA-N 0 3 233.355 3.569 20 0 BHADHN C=CCCC[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000091619345 644633359 /nfs/dbraw/zinc/63/33/59/644633359.db2.gz OVJKLLHNKGXBQE-CYBMUJFWSA-N 0 3 233.355 3.569 20 0 BHADHN C=CCCC[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000091619345 644633358 /nfs/dbraw/zinc/63/33/58/644633358.db2.gz OVJKLLHNKGXBQE-CYBMUJFWSA-N 0 3 233.355 3.569 20 0 BHADHN C[C@@H](c1ccccn1)N(C)CCC(C)(C)C ZINC000091703958 176026275 /nfs/dbraw/zinc/02/62/75/176026275.db2.gz RLYINMBMDQBRJM-LBPRGKRZSA-N 0 3 220.360 3.511 20 0 BHADHN C[C@H](c1ccccn1)N(C)CCC(C)(C)C ZINC000091703959 177042960 /nfs/dbraw/zinc/04/29/60/177042960.db2.gz RLYINMBMDQBRJM-GFCCVEGCSA-N 0 3 220.360 3.511 20 0 BHADHN CCC1(CN[C@@H](C)c2nccs2)CCCC1 ZINC000091737138 384030133 /nfs/dbraw/zinc/03/01/33/384030133.db2.gz OVZNQQUJYRSPRQ-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN CCC1(CN[C@H](C)c2nccs2)CCCC1 ZINC000091737141 384027488 /nfs/dbraw/zinc/02/74/88/384027488.db2.gz OVZNQQUJYRSPRQ-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN CC[C@@H](C)CN(C)Cc1cnc(C(C)C)s1 ZINC000091796065 360131042 /nfs/dbraw/zinc/13/10/42/360131042.db2.gz PYRYXDKITXYMLG-LLVKDONJSA-N 0 3 240.416 3.744 20 0 BHADHN CC[C@H](C)CN(C)Cc1cnc(C(C)C)s1 ZINC000091796067 360131029 /nfs/dbraw/zinc/13/10/29/360131029.db2.gz PYRYXDKITXYMLG-NSHDSACASA-N 0 3 240.416 3.744 20 0 BHADHN C[C@H](N(C)Cc1ccc(Cl)o1)C1(C)CC1 ZINC000091900183 360135281 /nfs/dbraw/zinc/13/52/81/360135281.db2.gz CLOBTLFOHKXBJM-VIFPVBQESA-N 0 3 227.735 3.553 20 0 BHADHN C[C@@H](N(C)Cc1ccc(Cl)o1)C1(C)CC1 ZINC000091900185 360135107 /nfs/dbraw/zinc/13/51/07/360135107.db2.gz CLOBTLFOHKXBJM-SECBINFHSA-N 0 3 227.735 3.553 20 0 BHADHN CC(C)c1ncc(CN2[C@H](C)CC[C@@H]2C)s1 ZINC000091937383 360137126 /nfs/dbraw/zinc/13/71/26/360137126.db2.gz IDCUKPGDUMEWIB-PHIMTYICSA-N 0 3 238.400 3.639 20 0 BHADHN CC(C)c1ncc(CN2[C@@H](C)CC[C@@H]2C)s1 ZINC000091937384 345612726 /nfs/dbraw/zinc/61/27/26/345612726.db2.gz IDCUKPGDUMEWIB-QWRGUYRKSA-N 0 3 238.400 3.639 20 0 BHADHN CC(C)c1ncc(CN2[C@H](C)CC[C@H]2C)s1 ZINC000091937385 345612992 /nfs/dbraw/zinc/61/29/92/345612992.db2.gz IDCUKPGDUMEWIB-GHMZBOCLSA-N 0 3 238.400 3.639 20 0 BHADHN CC(C)CN(Cc1ccc(Cl)o1)C1CC1 ZINC000092008582 345614469 /nfs/dbraw/zinc/61/44/69/345614469.db2.gz ARCPUSUERZERAO-UHFFFAOYSA-N 0 3 227.735 3.553 20 0 BHADHN C[C@@H](C1CC1)N(Cc1ccc(Cl)o1)C1CC1 ZINC000092009301 345614713 /nfs/dbraw/zinc/61/47/13/345614713.db2.gz LFFCFSQFRUCLBG-VIFPVBQESA-N 0 3 239.746 3.696 20 0 BHADHN C[C@H](C1CC1)N(Cc1ccc(Cl)o1)C1CC1 ZINC000092009303 345614363 /nfs/dbraw/zinc/61/43/63/345614363.db2.gz LFFCFSQFRUCLBG-SECBINFHSA-N 0 3 239.746 3.696 20 0 BHADHN Fc1ccc2oc(CN3CCCCC3)cc2c1 ZINC000092106884 345616601 /nfs/dbraw/zinc/61/66/01/345616601.db2.gz MSAGHRRBKVTVJD-UHFFFAOYSA-N 0 3 233.286 3.558 20 0 BHADHN CN(CCc1ccc(F)cc1)Cc1ccsc1 ZINC000092162170 360154114 /nfs/dbraw/zinc/15/41/14/360154114.db2.gz YYFKPWJOZFEANH-UHFFFAOYSA-N 0 3 249.354 3.562 20 0 BHADHN Cc1ccc(NCC(C)(C)C)c(CN(C)C)c1 ZINC000092169748 538106186 /nfs/dbraw/zinc/10/61/86/538106186.db2.gz QALNGEAKBYGVQE-UHFFFAOYSA-N 0 3 234.387 3.515 20 0 BHADHN C[C@H](NCCC1=CCCCC1)c1ccc(F)cn1 ZINC000092195165 384167503 /nfs/dbraw/zinc/16/75/03/384167503.db2.gz IBTYWZQNTKXNOL-LBPRGKRZSA-N 0 3 248.345 3.762 20 0 BHADHN C[C@@H](NCCC1=CCCCC1)c1ccc(F)cn1 ZINC000092195167 384167221 /nfs/dbraw/zinc/16/72/21/384167221.db2.gz IBTYWZQNTKXNOL-GFCCVEGCSA-N 0 3 248.345 3.762 20 0 BHADHN CC(C)CC[C@@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000092195244 384167442 /nfs/dbraw/zinc/16/74/42/384167442.db2.gz WNMBTXIQZUHZRP-NEPJUHHUSA-N 0 3 238.350 3.696 20 0 BHADHN CC(C)CC[C@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000092195248 344290113 /nfs/dbraw/zinc/29/01/13/344290113.db2.gz WNMBTXIQZUHZRP-RYUDHWBXSA-N 0 3 238.350 3.696 20 0 BHADHN CC(C)CC[C@@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000092195249 384166587 /nfs/dbraw/zinc/16/65/87/384166587.db2.gz WNMBTXIQZUHZRP-VXGBXAGGSA-N 0 3 238.350 3.696 20 0 BHADHN CC(C)CC[C@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000092195251 344290225 /nfs/dbraw/zinc/29/02/25/344290225.db2.gz WNMBTXIQZUHZRP-NWDGAFQWSA-N 0 3 238.350 3.696 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000092196478 171295582 /nfs/dbraw/zinc/29/55/82/171295582.db2.gz XAQNMNGYVZISIN-TUAOUCFPSA-N 0 3 238.350 3.696 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000092196480 171297936 /nfs/dbraw/zinc/29/79/36/171297936.db2.gz XAQNMNGYVZISIN-SRVKXCTJSA-N 0 3 238.350 3.696 20 0 BHADHN CC(C)c1ncc(CN(C)CC(C)(C)C)s1 ZINC000092217592 360157379 /nfs/dbraw/zinc/15/73/79/360157379.db2.gz TZUDVEMFXBOWJC-UHFFFAOYSA-N 0 3 240.416 3.744 20 0 BHADHN CC[C@@H](c1ccncc1)N(C)[C@H]1C=CCCC1 ZINC000092223810 344290602 /nfs/dbraw/zinc/29/06/02/344290602.db2.gz GFLFXDCBAHZVLJ-GJZGRUSLSA-N 0 3 230.355 3.573 20 0 BHADHN CC[C@H](c1ccncc1)N(C)[C@H]1C=CCCC1 ZINC000092223811 384169664 /nfs/dbraw/zinc/16/96/64/384169664.db2.gz GFLFXDCBAHZVLJ-LSDHHAIUSA-N 0 3 230.355 3.573 20 0 BHADHN Cc1noc(C)c1[C@@H](C)NCC1CCCCC1 ZINC000092326586 582855495 /nfs/dbraw/zinc/85/54/95/582855495.db2.gz DWUXLYHLGHTYGZ-SNVBAGLBSA-N 0 3 236.359 3.522 20 0 BHADHN Cc1noc(C)c1[C@H](C)NCC1CCCCC1 ZINC000092326587 582855291 /nfs/dbraw/zinc/85/52/91/582855291.db2.gz DWUXLYHLGHTYGZ-JTQLQIEISA-N 0 3 236.359 3.522 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)CCC(C)C ZINC000092327919 541345637 /nfs/dbraw/zinc/34/56/37/541345637.db2.gz NQBIURSTWVDVCC-WDEREUQCSA-N 0 3 238.375 3.767 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@@H](C)CCC(C)C ZINC000092327921 541345560 /nfs/dbraw/zinc/34/55/60/541345560.db2.gz NQBIURSTWVDVCC-QWRGUYRKSA-N 0 3 238.375 3.767 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@H](C)CCC(C)C ZINC000092327922 541345569 /nfs/dbraw/zinc/34/55/69/541345569.db2.gz NQBIURSTWVDVCC-GHMZBOCLSA-N 0 3 238.375 3.767 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@H](C)CCC(C)C ZINC000092327923 541345467 /nfs/dbraw/zinc/34/54/67/541345467.db2.gz NQBIURSTWVDVCC-MNOVXSKESA-N 0 3 238.375 3.767 20 0 BHADHN Cc1noc(C)c1[C@@H](C)NC1CCC(C)CC1 ZINC000092328209 538106647 /nfs/dbraw/zinc/10/66/47/538106647.db2.gz LRIITQWWRQXMSH-RUETXSTFSA-N 0 3 236.359 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)NC1CCC(C)CC1 ZINC000092328210 538106655 /nfs/dbraw/zinc/10/66/55/538106655.db2.gz LRIITQWWRQXMSH-QUNCOHTASA-N 0 3 236.359 3.521 20 0 BHADHN CC[C@@H](C)C[C@@H](CC)NCc1c(C)noc1C ZINC000092329194 360162977 /nfs/dbraw/zinc/16/29/77/360162977.db2.gz WYLQVEALYOYLIW-ZWNOBZJWSA-N 0 3 238.375 3.596 20 0 BHADHN CC[C@H](C[C@@H](C)CC)NCc1c(C)noc1C ZINC000092329196 135574650 /nfs/dbraw/zinc/57/46/50/135574650.db2.gz WYLQVEALYOYLIW-GXFFZTMASA-N 0 3 238.375 3.596 20 0 BHADHN CC[C@@H](C)C[C@H](CC)NCc1c(C)noc1C ZINC000092329198 360163231 /nfs/dbraw/zinc/16/32/31/360163231.db2.gz WYLQVEALYOYLIW-MFKMUULPSA-N 0 3 238.375 3.596 20 0 BHADHN CC[C@H](C)C[C@H](CC)NCc1c(C)noc1C ZINC000092329200 360163236 /nfs/dbraw/zinc/16/32/36/360163236.db2.gz WYLQVEALYOYLIW-GWCFXTLKSA-N 0 3 238.375 3.596 20 0 BHADHN CC[C@@H](C)NCc1ncc(-c2ccccc2)s1 ZINC000092354421 345617289 /nfs/dbraw/zinc/61/72/89/345617289.db2.gz SPMMVAXZPPILDD-LLVKDONJSA-N 0 3 246.379 3.698 20 0 BHADHN CC[C@H](C)NCc1ncc(-c2ccccc2)s1 ZINC000092354423 345617176 /nfs/dbraw/zinc/61/71/76/345617176.db2.gz SPMMVAXZPPILDD-NSHDSACASA-N 0 3 246.379 3.698 20 0 BHADHN Cc1cc(C)cc(C2=CCN(CCCF)CC2)c1 ZINC000092427208 388805400 /nfs/dbraw/zinc/80/54/00/388805400.db2.gz JSPXUXSKEILKRE-UHFFFAOYSA-N 0 3 247.357 3.752 20 0 BHADHN Cc1cccc(CN[C@@H](C)CCCC(C)C)n1 ZINC000092428459 388805823 /nfs/dbraw/zinc/80/58/23/388805823.db2.gz JFRXIMQUWRYJIJ-ZDUSSCGKSA-N 0 3 234.387 3.694 20 0 BHADHN Cc1cccc(CN[C@H](C)CCCC(C)C)n1 ZINC000092428461 325709751 /nfs/dbraw/zinc/70/97/51/325709751.db2.gz JFRXIMQUWRYJIJ-CYBMUJFWSA-N 0 3 234.387 3.694 20 0 BHADHN Clc1ccc(CN2CCC[C@H]3CCC[C@@H]32)o1 ZINC000092485376 345624866 /nfs/dbraw/zinc/62/48/66/345624866.db2.gz FYTZKVWILGUNNI-PWSUYJOCSA-N 0 3 239.746 3.698 20 0 BHADHN Clc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000092485379 345625196 /nfs/dbraw/zinc/62/51/96/345625196.db2.gz FYTZKVWILGUNNI-JQWIXIFHSA-N 0 3 239.746 3.698 20 0 BHADHN CCCCCN(Cc1c[nH]cn1)[C@@H](C)CCC ZINC000092511786 384196054 /nfs/dbraw/zinc/19/60/54/384196054.db2.gz PVYXIWMQAUGQGA-ZDUSSCGKSA-N 0 3 237.391 3.591 20 0 BHADHN CCCCCN(Cc1c[nH]cn1)[C@H](C)CCC ZINC000092511788 384196335 /nfs/dbraw/zinc/19/63/35/384196335.db2.gz PVYXIWMQAUGQGA-CYBMUJFWSA-N 0 3 237.391 3.591 20 0 BHADHN CCc1ncc(CN(CC)[C@@H](C)C(C)C)s1 ZINC000092590134 345640790 /nfs/dbraw/zinc/64/07/90/345640790.db2.gz CTCFMLLWGIJTME-NSHDSACASA-N 0 3 240.416 3.572 20 0 BHADHN CCc1ncc(CN(CC)[C@H](C)C(C)C)s1 ZINC000092590136 345640938 /nfs/dbraw/zinc/64/09/38/345640938.db2.gz CTCFMLLWGIJTME-LLVKDONJSA-N 0 3 240.416 3.572 20 0 BHADHN CN(Cc1ccc(Cl)o1)CC1CCCC1 ZINC000092667137 344300495 /nfs/dbraw/zinc/30/04/95/344300495.db2.gz LLSILOWCOQPRJE-UHFFFAOYSA-N 0 3 227.735 3.555 20 0 BHADHN Clc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000092709525 345448117 /nfs/dbraw/zinc/44/81/17/345448117.db2.gz ZCEKKYAXCQOWSZ-JQWIXIFHSA-N 0 3 239.746 3.698 20 0 BHADHN Clc1ccc(CN2CCC[C@@H]2C2CCC2)o1 ZINC000092780742 345643249 /nfs/dbraw/zinc/64/32/49/345643249.db2.gz CJTPEGNTEVJUJF-GFCCVEGCSA-N 0 3 239.746 3.698 20 0 BHADHN Clc1ccc(CN2CCC[C@H]2C2CCC2)o1 ZINC000092780744 345643000 /nfs/dbraw/zinc/64/30/00/345643000.db2.gz CJTPEGNTEVJUJF-LBPRGKRZSA-N 0 3 239.746 3.698 20 0 BHADHN CN(CCC1CCCCC1)Cc1cncs1 ZINC000092784459 259351080 /nfs/dbraw/zinc/35/10/80/259351080.db2.gz IYPJFALLIUEJHN-UHFFFAOYSA-N 0 3 238.400 3.545 20 0 BHADHN C[C@@H]1CCC[C@H](CN(C)CCC(F)(F)F)C1 ZINC000092795556 345643691 /nfs/dbraw/zinc/64/36/91/345643691.db2.gz NTJULJFVLSBYGA-MNOVXSKESA-N 0 3 237.309 3.697 20 0 BHADHN C[C@H]1CCC[C@H](CN(C)CCC(F)(F)F)C1 ZINC000092795557 345643681 /nfs/dbraw/zinc/64/36/81/345643681.db2.gz NTJULJFVLSBYGA-QWRGUYRKSA-N 0 3 237.309 3.697 20 0 BHADHN C[C@@H]1CCC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC000092795558 345643651 /nfs/dbraw/zinc/64/36/51/345643651.db2.gz NTJULJFVLSBYGA-GHMZBOCLSA-N 0 3 237.309 3.697 20 0 BHADHN C[C@H]1CCC[C@@H](CN(C)CCC(F)(F)F)C1 ZINC000092795559 345643972 /nfs/dbraw/zinc/64/39/72/345643972.db2.gz NTJULJFVLSBYGA-WDEREUQCSA-N 0 3 237.309 3.697 20 0 BHADHN CC[C@@H](C)CNCc1csc(C(C)(C)C)n1 ZINC000093066698 384206965 /nfs/dbraw/zinc/20/69/65/384206965.db2.gz QVRRMKXYJMNCJC-SNVBAGLBSA-N 0 3 240.416 3.576 20 0 BHADHN CC[C@H](C)CNCc1csc(C(C)(C)C)n1 ZINC000093066699 398094269 /nfs/dbraw/zinc/09/42/69/398094269.db2.gz QVRRMKXYJMNCJC-JTQLQIEISA-N 0 3 240.416 3.576 20 0 BHADHN CC[C@@H](C)CN[C@@H](CC)c1nc(C)cs1 ZINC000093067335 171526446 /nfs/dbraw/zinc/52/64/46/171526446.db2.gz ZJLXZNQPCZHFPK-KOLCDFICSA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@H](C)CN[C@@H](CC)c1nc(C)cs1 ZINC000093067336 171286980 /nfs/dbraw/zinc/28/69/80/171286980.db2.gz ZJLXZNQPCZHFPK-ONGXEEELSA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@@H](C)CN[C@H](CC)c1nc(C)cs1 ZINC000093067337 491121682 /nfs/dbraw/zinc/12/16/82/491121682.db2.gz ZJLXZNQPCZHFPK-MWLCHTKSSA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@@H](NC[C@@H](C)CC)c1nc(C)cs1 ZINC000093067338 171287500 /nfs/dbraw/zinc/28/75/00/171287500.db2.gz ZJLXZNQPCZHFPK-GXSJLCMTSA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@@H](C)CN[C@@H](c1nc(C)cs1)C1CC1 ZINC000093076977 259417720 /nfs/dbraw/zinc/41/77/20/259417720.db2.gz REDWCSZJROMYPY-BXKDBHETSA-N 0 3 238.400 3.538 20 0 BHADHN CC[C@H](C)CN[C@@H](c1nc(C)cs1)C1CC1 ZINC000093076978 386095790 /nfs/dbraw/zinc/09/57/90/386095790.db2.gz REDWCSZJROMYPY-JOYOIKCWSA-N 0 3 238.400 3.538 20 0 BHADHN CC[C@@H](C)CN[C@H](c1nc(C)cs1)C1CC1 ZINC000093076979 259417794 /nfs/dbraw/zinc/41/77/94/259417794.db2.gz REDWCSZJROMYPY-SKDRFNHKSA-N 0 3 238.400 3.538 20 0 BHADHN CC[C@H](C)CN[C@H](c1nc(C)cs1)C1CC1 ZINC000093076980 259417890 /nfs/dbraw/zinc/41/78/90/259417890.db2.gz REDWCSZJROMYPY-CABZTGNLSA-N 0 3 238.400 3.538 20 0 BHADHN CC[C@@H](C)CN[C@@H](c1ncc(C)s1)C1CC1 ZINC000093077010 386097234 /nfs/dbraw/zinc/09/72/34/386097234.db2.gz VELMXVHEQKDIGF-BXKDBHETSA-N 0 3 238.400 3.538 20 0 BHADHN CC[C@H](C)CN[C@@H](c1ncc(C)s1)C1CC1 ZINC000093077011 386097063 /nfs/dbraw/zinc/09/70/63/386097063.db2.gz VELMXVHEQKDIGF-JOYOIKCWSA-N 0 3 238.400 3.538 20 0 BHADHN CC[C@@H](C)CN[C@H](c1ncc(C)s1)C1CC1 ZINC000093077012 386096056 /nfs/dbraw/zinc/09/60/56/386096056.db2.gz VELMXVHEQKDIGF-SKDRFNHKSA-N 0 3 238.400 3.538 20 0 BHADHN CC[C@H](C)CN[C@H](c1ncc(C)s1)C1CC1 ZINC000093077013 386095996 /nfs/dbraw/zinc/09/59/96/386095996.db2.gz VELMXVHEQKDIGF-CABZTGNLSA-N 0 3 238.400 3.538 20 0 BHADHN CCC(CC)c1cc(CNC[C@H](C)CC)on1 ZINC000093077015 325730648 /nfs/dbraw/zinc/73/06/48/325730648.db2.gz FLWGVDFQNKVFIQ-LLVKDONJSA-N 0 3 238.375 3.714 20 0 BHADHN CCC(CC)c1cc(CNC[C@@H](C)CC)on1 ZINC000093077016 388823619 /nfs/dbraw/zinc/82/36/19/388823619.db2.gz FLWGVDFQNKVFIQ-NSHDSACASA-N 0 3 238.375 3.714 20 0 BHADHN Cc1ncccc1CN1CCC2(CCCC2)CC1 ZINC000093085416 360215340 /nfs/dbraw/zinc/21/53/40/360215340.db2.gz UORKEPIRXULCAZ-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN Cc1ccc([C@@H]2CCCN2Cc2ccco2)s1 ZINC000093102659 360218075 /nfs/dbraw/zinc/21/80/75/360218075.db2.gz XLXDXTWXVSOCQS-ZDUSSCGKSA-N 0 3 247.363 3.987 20 0 BHADHN Cc1ccc([C@H]2CCCN2Cc2ccco2)s1 ZINC000093102660 360218116 /nfs/dbraw/zinc/21/81/16/360218116.db2.gz XLXDXTWXVSOCQS-CYBMUJFWSA-N 0 3 247.363 3.987 20 0 BHADHN Cc1ccc([C@@H]2CCCN2Cc2cc[nH]c2)s1 ZINC000093102747 345657036 /nfs/dbraw/zinc/65/70/36/345657036.db2.gz RRDIPMPKAWLHCD-ZDUSSCGKSA-N 0 3 246.379 3.722 20 0 BHADHN Cc1ccc([C@H]2CCCN2Cc2cc[nH]c2)s1 ZINC000093102748 345656665 /nfs/dbraw/zinc/65/66/65/345656665.db2.gz RRDIPMPKAWLHCD-CYBMUJFWSA-N 0 3 246.379 3.722 20 0 BHADHN CC[C@@H](C)[C@@H](C)N(Cc1cncs1)C1CC1 ZINC000093132095 360220170 /nfs/dbraw/zinc/22/01/70/360220170.db2.gz JTSPOSYLGOUPSE-GHMZBOCLSA-N 0 3 238.400 3.542 20 0 BHADHN CC[C@H](C)[C@@H](C)N(Cc1cncs1)C1CC1 ZINC000093132096 360220181 /nfs/dbraw/zinc/22/01/81/360220181.db2.gz JTSPOSYLGOUPSE-WDEREUQCSA-N 0 3 238.400 3.542 20 0 BHADHN CC[C@@H](C)[C@H](C)N(Cc1cncs1)C1CC1 ZINC000093132097 360219870 /nfs/dbraw/zinc/21/98/70/360219870.db2.gz JTSPOSYLGOUPSE-MNOVXSKESA-N 0 3 238.400 3.542 20 0 BHADHN CC[C@H](C)[C@H](C)N(Cc1cncs1)C1CC1 ZINC000093132098 360219214 /nfs/dbraw/zinc/21/92/14/360219214.db2.gz JTSPOSYLGOUPSE-QWRGUYRKSA-N 0 3 238.400 3.542 20 0 BHADHN Cc1cccnc1CN(C)[C@@H](C)c1ccccc1 ZINC000093158094 179372005 /nfs/dbraw/zinc/37/20/05/179372005.db2.gz BTFJSUHAXRPUOC-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cccnc1CN(C)[C@H](C)c1ccccc1 ZINC000093158095 179373575 /nfs/dbraw/zinc/37/35/75/179373575.db2.gz BTFJSUHAXRPUOC-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cccnc1CN1CCC2(CCCC2)CC1 ZINC000093175379 345658954 /nfs/dbraw/zinc/65/89/54/345658954.db2.gz MSUNCMLFFQWZMZ-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN C[C@@H](c1cccnc1)N(C)CCC(C)(C)C ZINC000093234493 176029260 /nfs/dbraw/zinc/02/92/60/176029260.db2.gz JRNBZDZMLHSTPA-LBPRGKRZSA-N 0 3 220.360 3.511 20 0 BHADHN C[C@H](c1cccnc1)N(C)CCC(C)(C)C ZINC000093234494 177045309 /nfs/dbraw/zinc/04/53/09/177045309.db2.gz JRNBZDZMLHSTPA-GFCCVEGCSA-N 0 3 220.360 3.511 20 0 BHADHN CCC(C)(C)N(C)Cc1ccc(Cl)o1 ZINC000093279248 345660455 /nfs/dbraw/zinc/66/04/55/345660455.db2.gz PQWOVTBZSKQBMC-UHFFFAOYSA-N 0 3 215.724 3.553 20 0 BHADHN CCC(C)(C)N(C)Cc1cnc(C(C)C)s1 ZINC000093279297 345660439 /nfs/dbraw/zinc/66/04/39/345660439.db2.gz HIVPAOVMOPFGHK-UHFFFAOYSA-N 0 3 240.416 3.887 20 0 BHADHN CCC(C)(C)N(C)Cc1cnc(C2CC2)s1 ZINC000093279619 345967429 /nfs/dbraw/zinc/96/74/29/345967429.db2.gz DZFQDSKPZMCIEO-UHFFFAOYSA-N 0 3 238.400 3.641 20 0 BHADHN CCC(CC)CN(C)Cc1nc2ccccc2o1 ZINC000093339239 538109905 /nfs/dbraw/zinc/10/99/05/538109905.db2.gz ULNYIJSDSRSHKS-UHFFFAOYSA-N 0 3 246.354 3.696 20 0 BHADHN C[C@H](NCCCC1CCCC1)c1nccs1 ZINC000093371275 323184328 /nfs/dbraw/zinc/18/43/28/323184328.db2.gz ZFAUUJPCRDBFNS-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN C[C@@H](NCCCC1CCCC1)c1nccs1 ZINC000093371276 323184330 /nfs/dbraw/zinc/18/43/30/323184330.db2.gz ZFAUUJPCRDBFNS-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN c1coc(CN2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000093439416 360242846 /nfs/dbraw/zinc/24/28/46/360242846.db2.gz KMZXYWMPWKAZLW-HNNXBMFYSA-N 0 3 231.339 3.602 20 0 BHADHN c1coc(CN2CCC[C@]3(CC=CCC3)C2)c1 ZINC000093439417 360243541 /nfs/dbraw/zinc/24/35/41/360243541.db2.gz KMZXYWMPWKAZLW-OAHLLOKOSA-N 0 3 231.339 3.602 20 0 BHADHN Clc1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)o1 ZINC000093441787 345670462 /nfs/dbraw/zinc/67/04/62/345670462.db2.gz KYZOLYCSWYMNQR-PHIMTYICSA-N 0 3 239.746 3.555 20 0 BHADHN Clc1ccc(CN2C[C@H]3CCCC[C@@H]3C2)o1 ZINC000093441788 345972402 /nfs/dbraw/zinc/97/24/02/345972402.db2.gz KYZOLYCSWYMNQR-GHMZBOCLSA-N 0 3 239.746 3.555 20 0 BHADHN Clc1ccc(CN2C[C@@H]3CCCC[C@H]3C2)o1 ZINC000093441789 345972513 /nfs/dbraw/zinc/97/25/13/345972513.db2.gz KYZOLYCSWYMNQR-QWRGUYRKSA-N 0 3 239.746 3.555 20 0 BHADHN CC1(C)CCN1Cc1cc2cc(F)ccc2o1 ZINC000093460214 345671807 /nfs/dbraw/zinc/67/18/07/345671807.db2.gz OYHRTICCTGWZTP-UHFFFAOYSA-N 0 3 233.286 3.556 20 0 BHADHN CC(C)CCn1cccc1CN(C)C1CCC1 ZINC000093475993 360247460 /nfs/dbraw/zinc/24/74/60/360247460.db2.gz HDRIJGKXQAURLZ-UHFFFAOYSA-N 0 3 234.387 3.519 20 0 BHADHN Cc1ncccc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000093480733 360247211 /nfs/dbraw/zinc/24/72/11/360247211.db2.gz FZAHBBQIWSSDIW-GDBMZVCRSA-N 0 3 244.382 3.545 20 0 BHADHN CN(Cc1cncs1)C1CCC(C)(C)CC1 ZINC000093508329 360252913 /nfs/dbraw/zinc/25/29/13/360252913.db2.gz BLTRCQBRRFHHKE-UHFFFAOYSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@]1(C)CCCN(Cc2cncs2)C1 ZINC000093509037 360252334 /nfs/dbraw/zinc/25/23/34/360252334.db2.gz YTXUGWWCDBUBLD-CYBMUJFWSA-N 0 3 238.400 3.545 20 0 BHADHN CCC[C@@]1(C)CCCN(Cc2cncs2)C1 ZINC000093509038 360252595 /nfs/dbraw/zinc/25/25/95/360252595.db2.gz YTXUGWWCDBUBLD-ZDUSSCGKSA-N 0 3 238.400 3.545 20 0 BHADHN CSCC[C@H](C)N(C)Cc1ccc(Cl)o1 ZINC000093558529 360256877 /nfs/dbraw/zinc/25/68/77/360256877.db2.gz KRKDONKNOSEWEC-VIFPVBQESA-N 0 3 247.791 3.506 20 0 BHADHN CSCC[C@@H](C)N(C)Cc1ccc(Cl)o1 ZINC000093558530 345661878 /nfs/dbraw/zinc/66/18/78/345661878.db2.gz KRKDONKNOSEWEC-SECBINFHSA-N 0 3 247.791 3.506 20 0 BHADHN CC(C)N(Cc1ccc(Cl)o1)C1CCC1 ZINC000093608232 344319339 /nfs/dbraw/zinc/31/93/39/344319339.db2.gz OAGGYOPSOTXOOO-UHFFFAOYSA-N 0 3 227.735 3.696 20 0 BHADHN COc1ccsc1CN(C(C)C)C1CCC1 ZINC000093608278 345661989 /nfs/dbraw/zinc/66/19/89/345661989.db2.gz PJHDSZOYICFXSR-UHFFFAOYSA-N 0 3 239.384 3.520 20 0 BHADHN CC(C)C[C@@H]1CCCCN1Cc1cncs1 ZINC000093642828 360266674 /nfs/dbraw/zinc/26/66/74/360266674.db2.gz APLAYZWBHLHORW-LBPRGKRZSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)C[C@H]1CCCCN1Cc1cncs1 ZINC000093642829 360265874 /nfs/dbraw/zinc/26/58/74/360265874.db2.gz APLAYZWBHLHORW-GFCCVEGCSA-N 0 3 238.400 3.544 20 0 BHADHN CCc1ccc(CN(C)CCc2cccs2)o1 ZINC000093685455 360269134 /nfs/dbraw/zinc/26/91/34/360269134.db2.gz RZSYGDWNFIYKPU-UHFFFAOYSA-N 0 3 249.379 3.578 20 0 BHADHN Cc1ccc(CN(C)[C@@H](C)Cc2ccsc2)o1 ZINC000093705648 388849338 /nfs/dbraw/zinc/84/93/38/388849338.db2.gz UNUKWFPSGNWAOU-NSHDSACASA-N 0 3 249.379 3.713 20 0 BHADHN Cc1ccc(CN(C)[C@H](C)Cc2ccsc2)o1 ZINC000093705649 388849443 /nfs/dbraw/zinc/84/94/43/388849443.db2.gz UNUKWFPSGNWAOU-LLVKDONJSA-N 0 3 249.379 3.713 20 0 BHADHN Cc1ccoc1CN(C)[C@@H](C)Cc1ccsc1 ZINC000093705777 345975342 /nfs/dbraw/zinc/97/53/42/345975342.db2.gz XHNNKXUJXIAYDM-LBPRGKRZSA-N 0 3 249.379 3.713 20 0 BHADHN Cc1ccoc1CN(C)[C@H](C)Cc1ccsc1 ZINC000093705778 345975499 /nfs/dbraw/zinc/97/54/99/345975499.db2.gz XHNNKXUJXIAYDM-GFCCVEGCSA-N 0 3 249.379 3.713 20 0 BHADHN CCC[C@@H]1[C@H](C)CCCN1Cc1cncs1 ZINC000093740769 360274122 /nfs/dbraw/zinc/27/41/22/360274122.db2.gz MZVXMEPDALTLHR-DGCLKSJQSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@H]1[C@H](C)CCCN1Cc1cncs1 ZINC000093740770 360274394 /nfs/dbraw/zinc/27/43/94/360274394.db2.gz MZVXMEPDALTLHR-YPMHNXCESA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1cncs1 ZINC000093740771 360274381 /nfs/dbraw/zinc/27/43/81/360274381.db2.gz MZVXMEPDALTLHR-WCQYABFASA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@H]1[C@@H](C)CCCN1Cc1cncs1 ZINC000093740772 360274529 /nfs/dbraw/zinc/27/45/29/360274529.db2.gz MZVXMEPDALTLHR-AAEUAGOBSA-N 0 3 238.400 3.544 20 0 BHADHN CCC(C)(C)[C@@H]1CCCN1Cc1cncs1 ZINC000093809418 360280224 /nfs/dbraw/zinc/28/02/24/360280224.db2.gz SIBXOPFTLSZJJS-LBPRGKRZSA-N 0 3 238.400 3.544 20 0 BHADHN CCC(C)(C)[C@H]1CCCN1Cc1cncs1 ZINC000093809419 360280050 /nfs/dbraw/zinc/28/00/50/360280050.db2.gz SIBXOPFTLSZJJS-GFCCVEGCSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)CN(Cc1cncs1)CC(C)(C)C ZINC000093817034 384273732 /nfs/dbraw/zinc/27/37/32/384273732.db2.gz DGRQDVXJECVSQB-UHFFFAOYSA-N 0 3 240.416 3.647 20 0 BHADHN CCc1ncc(CN(CC)C[C@@H](C)CC)s1 ZINC000093844877 345666165 /nfs/dbraw/zinc/66/61/65/345666165.db2.gz MYSJHTIKCZQWMT-NSHDSACASA-N 0 3 240.416 3.574 20 0 BHADHN CCc1ncc(CN(CC)C[C@H](C)CC)s1 ZINC000093844878 345666483 /nfs/dbraw/zinc/66/64/83/345666483.db2.gz MYSJHTIKCZQWMT-LLVKDONJSA-N 0 3 240.416 3.574 20 0 BHADHN CC(C)CC[C@@H]1CCCN1Cc1cncs1 ZINC000093845041 360282966 /nfs/dbraw/zinc/28/29/66/360282966.db2.gz UAWSEOWQOIQMNI-LBPRGKRZSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)CC[C@H]1CCCN1Cc1cncs1 ZINC000093845042 360283505 /nfs/dbraw/zinc/28/35/05/360283505.db2.gz UAWSEOWQOIQMNI-GFCCVEGCSA-N 0 3 238.400 3.544 20 0 BHADHN C[C@@H]1CN(Cc2cccs2)[C@@H]1c1ccccc1 ZINC000093867450 388854428 /nfs/dbraw/zinc/85/44/28/388854428.db2.gz VOXLONFTKXLGFZ-DOMZBBRYSA-N 0 3 243.375 3.941 20 0 BHADHN C[C@H]1CN(Cc2cccs2)[C@@H]1c1ccccc1 ZINC000093867451 388854543 /nfs/dbraw/zinc/85/45/43/388854543.db2.gz VOXLONFTKXLGFZ-WFASDCNBSA-N 0 3 243.375 3.941 20 0 BHADHN C[C@@H]1CN(Cc2ccsc2)[C@@H]1c1ccccc1 ZINC000093867605 388854695 /nfs/dbraw/zinc/85/46/95/388854695.db2.gz PBZPKTQEQDRRJH-DOMZBBRYSA-N 0 3 243.375 3.941 20 0 BHADHN C[C@H]1CN(Cc2ccsc2)[C@@H]1c1ccccc1 ZINC000093867606 388855205 /nfs/dbraw/zinc/85/52/05/388855205.db2.gz PBZPKTQEQDRRJH-WFASDCNBSA-N 0 3 243.375 3.941 20 0 BHADHN CCSCC[C@@H](C)N(C)Cc1ccc(C)o1 ZINC000093870906 360286255 /nfs/dbraw/zinc/28/62/55/360286255.db2.gz JEZQGDWUHFPUOF-LLVKDONJSA-N 0 3 241.400 3.552 20 0 BHADHN CCSCC[C@H](C)N(C)Cc1ccc(C)o1 ZINC000093870907 360286403 /nfs/dbraw/zinc/28/64/03/360286403.db2.gz JEZQGDWUHFPUOF-NSHDSACASA-N 0 3 241.400 3.552 20 0 BHADHN CCSCC[C@@H](C)N(C)Cc1occc1C ZINC000093871016 360286236 /nfs/dbraw/zinc/28/62/36/360286236.db2.gz RIAZPYLOLYXTQN-GFCCVEGCSA-N 0 3 241.400 3.552 20 0 BHADHN CCSCC[C@H](C)N(C)Cc1occc1C ZINC000093871017 345666146 /nfs/dbraw/zinc/66/61/46/345666146.db2.gz RIAZPYLOLYXTQN-LBPRGKRZSA-N 0 3 241.400 3.552 20 0 BHADHN CCSCC[C@@H](C)N(C)Cc1ccsc1 ZINC000093871086 360286217 /nfs/dbraw/zinc/28/62/17/360286217.db2.gz LNUDJMUKGVESLY-LLVKDONJSA-N 0 3 243.441 3.712 20 0 BHADHN CCSCC[C@H](C)N(C)Cc1ccsc1 ZINC000093871087 360286051 /nfs/dbraw/zinc/28/60/51/360286051.db2.gz LNUDJMUKGVESLY-NSHDSACASA-N 0 3 243.441 3.712 20 0 BHADHN Cc1ccc([C@H](C)NCCc2ccccc2C)o1 ZINC000094182528 323188622 /nfs/dbraw/zinc/18/86/22/323188622.db2.gz JEMOVOWVIAXBGF-AWEZNQCLSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1ccc([C@@H](C)NCCc2ccccc2C)o1 ZINC000094182529 323188613 /nfs/dbraw/zinc/18/86/13/323188613.db2.gz JEMOVOWVIAXBGF-CQSZACIVSA-N 0 3 243.350 3.790 20 0 BHADHN CC1(C)CCC[C@@H]1NCc1cc(F)ccc1F ZINC000094265998 386940607 /nfs/dbraw/zinc/94/06/07/386940607.db2.gz XLEWMXHBVMJXIT-ZDUSSCGKSA-N 0 3 239.309 3.633 20 0 BHADHN CC1(C)CCC[C@H]1NCc1cc(F)ccc1F ZINC000094265999 386941504 /nfs/dbraw/zinc/94/15/04/386941504.db2.gz XLEWMXHBVMJXIT-CYBMUJFWSA-N 0 3 239.309 3.633 20 0 BHADHN CC1(C)CCC[C@@H]1NCc1cccc(F)c1F ZINC000094266026 322977353 /nfs/dbraw/zinc/97/73/53/322977353.db2.gz WYJYTGRXWCMDPH-LBPRGKRZSA-N 0 3 239.309 3.633 20 0 BHADHN CC1(C)CCC[C@H]1NCc1cccc(F)c1F ZINC000094266027 322977304 /nfs/dbraw/zinc/97/73/04/322977304.db2.gz WYJYTGRXWCMDPH-GFCCVEGCSA-N 0 3 239.309 3.633 20 0 BHADHN CC1(C)CCC[C@@H]1NCc1ccc(F)cc1F ZINC000094266070 384295373 /nfs/dbraw/zinc/29/53/73/384295373.db2.gz PLGCKJGSIIKRAK-ZDUSSCGKSA-N 0 3 239.309 3.633 20 0 BHADHN CC1(C)CCC[C@H]1NCc1ccc(F)cc1F ZINC000094266071 386941371 /nfs/dbraw/zinc/94/13/71/386941371.db2.gz PLGCKJGSIIKRAK-CYBMUJFWSA-N 0 3 239.309 3.633 20 0 BHADHN CN(C)Cc1cccc(N[C@H]2CCCC2(C)C)c1 ZINC000094305208 386940466 /nfs/dbraw/zinc/94/04/66/386940466.db2.gz SOJVLMCCJKLCCR-HNNXBMFYSA-N 0 3 246.398 3.739 20 0 BHADHN CN(C)Cc1cccc(N[C@@H]2CCCC2(C)C)c1 ZINC000094305209 386940785 /nfs/dbraw/zinc/94/07/85/386940785.db2.gz SOJVLMCCJKLCCR-OAHLLOKOSA-N 0 3 246.398 3.739 20 0 BHADHN CC(C)n1ccc(CN[C@@H]2CCCCC2(C)C)n1 ZINC000094325496 343156218 /nfs/dbraw/zinc/15/62/18/343156218.db2.gz FRXFGLNXVYRJOO-CQSZACIVSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccc(CN[C@H]2CCCCC2(C)C)n1 ZINC000094325497 343156253 /nfs/dbraw/zinc/15/62/53/343156253.db2.gz FRXFGLNXVYRJOO-AWEZNQCLSA-N 0 3 249.402 3.522 20 0 BHADHN c1cc(CNCc2ccccc2C2CC2)cs1 ZINC000094357701 537838296 /nfs/dbraw/zinc/83/82/96/537838296.db2.gz YBFGHWFEVWSFAE-UHFFFAOYSA-N 0 3 243.375 3.915 20 0 BHADHN FC(F)(F)CCNCc1ccccc1C1CC1 ZINC000094357986 537838841 /nfs/dbraw/zinc/83/88/41/537838841.db2.gz ROSZUNPQPABPAW-UHFFFAOYSA-N 0 3 243.272 3.606 20 0 BHADHN c1ccc(CNCc2cccc(C3CC3)c2)cc1 ZINC000094517597 350586896 /nfs/dbraw/zinc/58/68/96/350586896.db2.gz ZOBWJYXACSXFDY-UHFFFAOYSA-N 0 3 237.346 3.854 20 0 BHADHN c1ccc(CNCc2ccc(C3CC3)cc2)cc1 ZINC000094517598 135613997 /nfs/dbraw/zinc/61/39/97/135613997.db2.gz UJZDQIUYWQJIBP-UHFFFAOYSA-N 0 3 237.346 3.854 20 0 BHADHN c1csc(CNCc2cccc(C3CC3)c2)c1 ZINC000094518089 360310386 /nfs/dbraw/zinc/31/03/86/360310386.db2.gz MKYNVELRHQSUIV-UHFFFAOYSA-N 0 3 243.375 3.915 20 0 BHADHN c1csc(CNCc2ccc(C3CC3)cc2)c1 ZINC000094518090 360310019 /nfs/dbraw/zinc/31/00/19/360310019.db2.gz MFNYZPXVBIFRHQ-UHFFFAOYSA-N 0 3 243.375 3.915 20 0 BHADHN FC(F)(F)CCNCc1cccc(C2CC2)c1 ZINC000094519820 360312039 /nfs/dbraw/zinc/31/20/39/360312039.db2.gz DTOVOCMWQJVWGV-UHFFFAOYSA-N 0 3 243.272 3.606 20 0 BHADHN FC(F)(F)CCNCc1ccc(C2CC2)cc1 ZINC000094519821 360311756 /nfs/dbraw/zinc/31/17/56/360311756.db2.gz KUAWEBPMJKYAQA-UHFFFAOYSA-N 0 3 243.272 3.606 20 0 BHADHN c1cc(CNCc2cccc(C3CC3)c2)cs1 ZINC000094519829 360311855 /nfs/dbraw/zinc/31/18/55/360311855.db2.gz RTJRYMVIKUZMRD-UHFFFAOYSA-N 0 3 243.375 3.915 20 0 BHADHN c1cc(CNCc2ccc(C3CC3)cc2)cs1 ZINC000094519830 360311799 /nfs/dbraw/zinc/31/17/99/360311799.db2.gz HTCMUHZNGQOAKY-UHFFFAOYSA-N 0 3 243.375 3.915 20 0 BHADHN C[C@H](NCc1ccccc1)c1cc(F)cc(F)c1 ZINC000094825903 386961251 /nfs/dbraw/zinc/96/12/51/386961251.db2.gz IHTBWLYTGUUOKE-NSHDSACASA-N 0 3 247.288 3.816 20 0 BHADHN C[C@@H](NCc1ccccc1)c1cc(F)cc(F)c1 ZINC000094825904 386962281 /nfs/dbraw/zinc/96/22/81/386962281.db2.gz IHTBWLYTGUUOKE-LLVKDONJSA-N 0 3 247.288 3.816 20 0 BHADHN Cc1ccc([C@@H](C)NCCC(F)(F)F)cc1F ZINC000094837969 386962563 /nfs/dbraw/zinc/96/25/63/386962563.db2.gz GICJKXMSMHPZLK-SECBINFHSA-N 0 3 249.251 3.737 20 0 BHADHN Cc1ccc([C@H](C)NCCC(F)(F)F)cc1F ZINC000094837970 386961714 /nfs/dbraw/zinc/96/17/14/386961714.db2.gz GICJKXMSMHPZLK-VIFPVBQESA-N 0 3 249.251 3.737 20 0 BHADHN C[C@H](NCCc1ccc(Cl)cc1)c1ccoc1 ZINC000094867558 388874948 /nfs/dbraw/zinc/87/49/48/388874948.db2.gz FZQOWDGRFQCMRG-NSHDSACASA-N 0 3 249.741 3.826 20 0 BHADHN C[C@@H](NCCc1ccc(Cl)cc1)c1ccoc1 ZINC000094867559 388874349 /nfs/dbraw/zinc/87/43/49/388874349.db2.gz FZQOWDGRFQCMRG-LLVKDONJSA-N 0 3 249.741 3.826 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccoc1 ZINC000094867590 487559898 /nfs/dbraw/zinc/55/98/98/487559898.db2.gz WCKAOAJFEGGBAI-QWHCGFSZSA-N 0 3 229.323 4.000 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccoc1 ZINC000094867591 583171218 /nfs/dbraw/zinc/17/12/18/583171218.db2.gz WCKAOAJFEGGBAI-STQMWFEESA-N 0 3 229.323 4.000 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccoc1 ZINC000094867592 487560091 /nfs/dbraw/zinc/56/00/91/487560091.db2.gz WCKAOAJFEGGBAI-CHWSQXEVSA-N 0 3 229.323 4.000 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@H](C)c1ccoc1 ZINC000094867593 583171328 /nfs/dbraw/zinc/17/13/28/583171328.db2.gz WCKAOAJFEGGBAI-OLZOCXBDSA-N 0 3 229.323 4.000 20 0 BHADHN C[C@H](N[C@@H]1CCc2ccccc21)c1ccoc1 ZINC000094867618 487559781 /nfs/dbraw/zinc/55/97/81/487559781.db2.gz LXRVLOVJAQLFTB-XHDPSFHLSA-N 0 3 227.307 3.618 20 0 BHADHN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccoc1 ZINC000094867619 487559921 /nfs/dbraw/zinc/55/99/21/487559921.db2.gz LXRVLOVJAQLFTB-IAQYHMDHSA-N 0 3 227.307 3.618 20 0 BHADHN C[C@H](N[C@H]1CCc2ccccc21)c1ccoc1 ZINC000094867620 583170947 /nfs/dbraw/zinc/17/09/47/583170947.db2.gz LXRVLOVJAQLFTB-NHYWBVRUSA-N 0 3 227.307 3.618 20 0 BHADHN C[C@@H](N[C@H]1CCc2ccccc21)c1ccoc1 ZINC000094867621 583171207 /nfs/dbraw/zinc/17/12/07/583171207.db2.gz LXRVLOVJAQLFTB-ABAIWWIYSA-N 0 3 227.307 3.618 20 0 BHADHN C[C@@H](CCc1ccco1)N[C@@H](C)c1ccoc1 ZINC000094867676 388874579 /nfs/dbraw/zinc/87/45/79/388874579.db2.gz WUTIODYYVFLTAZ-RYUDHWBXSA-N 0 3 233.311 3.545 20 0 BHADHN C[C@H](CCc1ccco1)N[C@@H](C)c1ccoc1 ZINC000094867677 388874515 /nfs/dbraw/zinc/87/45/15/388874515.db2.gz WUTIODYYVFLTAZ-NEPJUHHUSA-N 0 3 233.311 3.545 20 0 BHADHN C[C@@H](N[C@@H](C)CCc1ccco1)c1ccoc1 ZINC000094867678 388874134 /nfs/dbraw/zinc/87/41/34/388874134.db2.gz WUTIODYYVFLTAZ-NWDGAFQWSA-N 0 3 233.311 3.545 20 0 BHADHN C[C@H](CCc1ccco1)N[C@H](C)c1ccoc1 ZINC000094867679 325790237 /nfs/dbraw/zinc/79/02/37/325790237.db2.gz WUTIODYYVFLTAZ-VXGBXAGGSA-N 0 3 233.311 3.545 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccoc2)cc1 ZINC000094868916 388874109 /nfs/dbraw/zinc/87/41/09/388874109.db2.gz IRBUCZRBDLHSOB-OLZOCXBDSA-N 0 3 229.323 4.000 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H](C)c2ccoc2)cc1 ZINC000094868917 325790671 /nfs/dbraw/zinc/79/06/71/325790671.db2.gz IRBUCZRBDLHSOB-STQMWFEESA-N 0 3 229.323 4.000 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)c2ccoc2)cc1 ZINC000094868918 325790578 /nfs/dbraw/zinc/79/05/78/325790578.db2.gz IRBUCZRBDLHSOB-CHWSQXEVSA-N 0 3 229.323 4.000 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)c2ccoc2)cc1 ZINC000094868919 325790618 /nfs/dbraw/zinc/79/06/18/325790618.db2.gz IRBUCZRBDLHSOB-QWHCGFSZSA-N 0 3 229.323 4.000 20 0 BHADHN C[C@H](NCCSc1ccccc1)c1ccoc1 ZINC000094869076 325790631 /nfs/dbraw/zinc/79/06/31/325790631.db2.gz YHLBDQMAFQAPDB-LBPRGKRZSA-N 0 3 247.363 3.723 20 0 BHADHN C[C@@H](NCCSc1ccccc1)c1ccoc1 ZINC000094869077 388874393 /nfs/dbraw/zinc/87/43/93/388874393.db2.gz YHLBDQMAFQAPDB-GFCCVEGCSA-N 0 3 247.363 3.723 20 0 BHADHN CC(C)CC1(CNCc2ccccn2)CCCC1 ZINC000094873985 135620794 /nfs/dbraw/zinc/62/07/94/135620794.db2.gz QJRWAAZAFGXIHO-UHFFFAOYSA-N 0 3 246.398 3.778 20 0 BHADHN CCc1ccc(CNCc2cscc2C)cc1 ZINC000094877005 386965206 /nfs/dbraw/zinc/96/52/06/386965206.db2.gz DXZKUZDNIOOIRS-UHFFFAOYSA-N 0 3 245.391 3.909 20 0 BHADHN Cc1cscc1CNCc1ccc(F)c(C)c1 ZINC000094877294 360323926 /nfs/dbraw/zinc/32/39/26/360323926.db2.gz YUSXVHUIDVQVBX-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1cscc1CNCc1ccc(C)cc1C ZINC000094877618 386965546 /nfs/dbraw/zinc/96/55/46/386965546.db2.gz ZLEBUCQSUFAKGV-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1cscc1CN[C@@H]1CCc2ccccc21 ZINC000094877899 360323976 /nfs/dbraw/zinc/32/39/76/360323976.db2.gz KAPOYHDNWQVBME-OAHLLOKOSA-N 0 3 243.375 3.834 20 0 BHADHN Cc1cscc1CN[C@H]1CCc2ccccc21 ZINC000094877900 360324195 /nfs/dbraw/zinc/32/41/95/360324195.db2.gz KAPOYHDNWQVBME-HNNXBMFYSA-N 0 3 243.375 3.834 20 0 BHADHN Cc1cscc1CNCc1cc(C)ccc1C ZINC000094877901 386965751 /nfs/dbraw/zinc/96/57/51/386965751.db2.gz JGPNPRGWRRZAOD-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1cscc1CNCc1ccc(C)c(C)c1 ZINC000094878118 386965653 /nfs/dbraw/zinc/96/56/53/386965653.db2.gz OGGGACSUFIRDLE-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1cscc1CNCc1cc(C)cc(C)c1 ZINC000094878139 386966195 /nfs/dbraw/zinc/96/61/95/386966195.db2.gz DPXKVPQYVRYIAJ-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1cscc1CNCc1ccc(C)c(F)c1 ZINC000094878264 360325050 /nfs/dbraw/zinc/32/50/50/360325050.db2.gz LFSLFWNPQHBBIE-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1cscc1CNCc1cccc(C)c1C ZINC000094878265 386966121 /nfs/dbraw/zinc/96/61/21/386966121.db2.gz HZSDKANALFXCPE-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1cscc1CNCc1ccc(F)cc1C ZINC000094878322 360325125 /nfs/dbraw/zinc/32/51/25/360325125.db2.gz MNPUHFMNYIVYHE-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1cscc1CNC/C=C/c1ccccc1 ZINC000094881320 386966223 /nfs/dbraw/zinc/96/62/23/386966223.db2.gz NLOMEQUYRSWYBM-VMPITWQZSA-N 0 3 243.375 3.860 20 0 BHADHN Cc1cc(F)ccc1CCN[C@@H](C)c1ccoc1 ZINC000094949989 322912041 /nfs/dbraw/zinc/91/20/41/322912041.db2.gz CBPRLCVCJUKKLW-LBPRGKRZSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1cc(F)ccc1CCN[C@H](C)c1ccoc1 ZINC000094949990 322912133 /nfs/dbraw/zinc/91/21/33/322912133.db2.gz CBPRLCVCJUKKLW-GFCCVEGCSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1cc(F)ccc1CCN[C@@H](C)c1ccco1 ZINC000094950035 386970748 /nfs/dbraw/zinc/97/07/48/386970748.db2.gz JFKBWBQRPCHKAU-LBPRGKRZSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1cc(F)ccc1CCN[C@H](C)c1ccco1 ZINC000094950036 386971463 /nfs/dbraw/zinc/97/14/63/386971463.db2.gz JFKBWBQRPCHKAU-GFCCVEGCSA-N 0 3 247.313 3.620 20 0 BHADHN CCCCCC(C)(C)CN[C@@H](C)c1cnccn1 ZINC000094984320 384327341 /nfs/dbraw/zinc/32/73/41/384327341.db2.gz HAMZDOIHEGOQSK-ZDUSSCGKSA-N 0 3 249.402 3.734 20 0 BHADHN CCCCCC(C)(C)CN[C@H](C)c1cnccn1 ZINC000094984321 384325853 /nfs/dbraw/zinc/32/58/53/384325853.db2.gz HAMZDOIHEGOQSK-CYBMUJFWSA-N 0 3 249.402 3.734 20 0 BHADHN CC(C)[C@@H](C)NCc1cccc(Cl)c1F ZINC000096033194 167382144 /nfs/dbraw/zinc/38/21/44/167382144.db2.gz QSZVEEXBICZVJV-SECBINFHSA-N 0 3 229.726 3.613 20 0 BHADHN CC(C)[C@H](C)NCc1cccc(Cl)c1F ZINC000096033195 187288959 /nfs/dbraw/zinc/28/89/59/187288959.db2.gz QSZVEEXBICZVJV-VIFPVBQESA-N 0 3 229.726 3.613 20 0 BHADHN CCC(C)(C)NCc1cccc(Cl)c1F ZINC000096033197 168299138 /nfs/dbraw/zinc/29/91/38/168299138.db2.gz AFNXVVHFUYMXML-UHFFFAOYSA-N 0 3 229.726 3.757 20 0 BHADHN C[C@@H](CNCc1ccc(Cl)o1)C(C)(C)C ZINC000096610149 343829640 /nfs/dbraw/zinc/82/96/40/343829640.db2.gz IMKBNQKVUGAVQF-VIFPVBQESA-N 0 3 229.751 3.705 20 0 BHADHN C[C@H](CNCc1ccc(Cl)o1)C(C)(C)C ZINC000096610150 343830414 /nfs/dbraw/zinc/83/04/14/343830414.db2.gz IMKBNQKVUGAVQF-SECBINFHSA-N 0 3 229.751 3.705 20 0 BHADHN C[C@@H](CNCc1cccc(F)c1F)C(C)(C)C ZINC000096610317 491119644 /nfs/dbraw/zinc/11/96/44/491119644.db2.gz XWMTXTQVTJUXRS-JTQLQIEISA-N 0 3 241.325 3.737 20 0 BHADHN C[C@H](CNCc1cccc(F)c1F)C(C)(C)C ZINC000096610318 398086344 /nfs/dbraw/zinc/08/63/44/398086344.db2.gz XWMTXTQVTJUXRS-SNVBAGLBSA-N 0 3 241.325 3.737 20 0 BHADHN CCc1nc(CNCCCCC(C)C)cs1 ZINC000096867541 644844285 /nfs/dbraw/zinc/84/42/85/644844285.db2.gz YWAUQXXXDBDHEV-UHFFFAOYSA-N 0 3 240.416 3.621 20 0 BHADHN CC[C@@H]1CCCCN1Cc1ccc(F)c(F)c1 ZINC000096953900 355836345 /nfs/dbraw/zinc/83/63/45/355836345.db2.gz CUPAXBHNNNSUNI-GFCCVEGCSA-N 0 3 239.309 3.729 20 0 BHADHN CC[C@H]1CCCCN1Cc1ccc(F)c(F)c1 ZINC000096953901 386410622 /nfs/dbraw/zinc/41/06/22/386410622.db2.gz CUPAXBHNNNSUNI-LBPRGKRZSA-N 0 3 239.309 3.729 20 0 BHADHN CCCN(CCC)Cc1nc2ccccc2s1 ZINC000096969525 322981425 /nfs/dbraw/zinc/98/14/25/322981425.db2.gz NRRSGPYNUBOXIQ-UHFFFAOYSA-N 0 3 248.395 3.918 20 0 BHADHN CCCCN(CC)Cc1nc2ccccc2s1 ZINC000096970254 385263395 /nfs/dbraw/zinc/26/33/95/385263395.db2.gz QYAWVYSINYDOEW-UHFFFAOYSA-N 0 3 248.395 3.918 20 0 BHADHN CC[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000097254493 355846365 /nfs/dbraw/zinc/84/63/65/355846365.db2.gz ZSVOGLAQBLZBNP-LLVKDONJSA-N 0 3 239.309 3.587 20 0 BHADHN CC[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000097254495 386439780 /nfs/dbraw/zinc/43/97/80/386439780.db2.gz ZSVOGLAQBLZBNP-NSHDSACASA-N 0 3 239.309 3.587 20 0 BHADHN CN(CCc1ccc(F)cc1)Cc1cccs1 ZINC000097268977 384117075 /nfs/dbraw/zinc/11/70/75/384117075.db2.gz YBMMNFJCYPPVQT-UHFFFAOYSA-N 0 3 249.354 3.562 20 0 BHADHN Cc1occc1CN(C)[C@@H](C)c1ccccc1 ZINC000097270857 360367859 /nfs/dbraw/zinc/36/78/59/360367859.db2.gz HJSOYQAKJXSZGP-LBPRGKRZSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1occc1CN(C)[C@H](C)c1ccccc1 ZINC000097270858 360367294 /nfs/dbraw/zinc/36/72/94/360367294.db2.gz HJSOYQAKJXSZGP-GFCCVEGCSA-N 0 3 229.323 3.781 20 0 BHADHN C[C@@H](c1ccccc1F)N1CCCCCC1 ZINC000097466534 176025423 /nfs/dbraw/zinc/02/54/23/176025423.db2.gz SFSHXHQWLQWFAI-LBPRGKRZSA-N 0 3 221.319 3.763 20 0 BHADHN C[C@H](c1ccccc1F)N1CCCCCC1 ZINC000097466535 177041190 /nfs/dbraw/zinc/04/11/90/177041190.db2.gz SFSHXHQWLQWFAI-GFCCVEGCSA-N 0 3 221.319 3.763 20 0 BHADHN CSCCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000097475980 387246965 /nfs/dbraw/zinc/24/69/65/387246965.db2.gz RONLZAJNKDONBY-JTQLQIEISA-N 0 3 243.803 3.696 20 0 BHADHN CSCCN(C)[C@H](C)c1cccc(Cl)c1 ZINC000097475981 387248027 /nfs/dbraw/zinc/24/80/27/387248027.db2.gz RONLZAJNKDONBY-SNVBAGLBSA-N 0 3 243.803 3.696 20 0 BHADHN CC(C)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000097492012 384223868 /nfs/dbraw/zinc/22/38/68/384223868.db2.gz CJNHWPPBJUBLMU-UHFFFAOYSA-N 0 3 232.154 3.834 20 0 BHADHN Cc1cscc1CNCc1cc(F)ccc1C ZINC000097849092 360381410 /nfs/dbraw/zinc/38/14/10/360381410.db2.gz LLNHGBFGQUNDCZ-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN C[C@H](NCCCC(F)(F)F)c1ccccc1F ZINC000097988550 386575262 /nfs/dbraw/zinc/57/52/62/386575262.db2.gz AGRPOQUHIDYVII-VIFPVBQESA-N 0 3 249.251 3.819 20 0 BHADHN C[C@@H](NCCCC(F)(F)F)c1ccccc1F ZINC000097988551 386574287 /nfs/dbraw/zinc/57/42/87/386574287.db2.gz AGRPOQUHIDYVII-SECBINFHSA-N 0 3 249.251 3.819 20 0 BHADHN CCCCN(C)Cc1cc(Cl)nc(Cl)c1 ZINC000098129942 631684860 /nfs/dbraw/zinc/68/48/60/631684860.db2.gz GJHCFMLOFUYOFN-UHFFFAOYSA-N 0 3 247.169 3.620 20 0 BHADHN CCCCN(CCCC)Cc1cnc(C)s1 ZINC000098132455 256664032 /nfs/dbraw/zinc/66/40/32/256664032.db2.gz WYFGFHMDBPPSTI-UHFFFAOYSA-N 0 3 240.416 3.854 20 0 BHADHN CCN(Cc1cnc(C)s1)C1CCCCC1 ZINC000098132522 360389297 /nfs/dbraw/zinc/38/92/97/360389297.db2.gz LTWZPMSFSBJOMB-UHFFFAOYSA-N 0 3 238.400 3.606 20 0 BHADHN CCCCCN(Cc1cnc(C)s1)C(C)C ZINC000098132645 360389782 /nfs/dbraw/zinc/38/97/82/360389782.db2.gz MOHVGCDCCOAIBS-UHFFFAOYSA-N 0 3 240.416 3.852 20 0 BHADHN CCC(CC)NCc1csc(C(C)(C)C)n1 ZINC000098161605 386580832 /nfs/dbraw/zinc/58/08/32/386580832.db2.gz FXQQDYKDAWEJLZ-UHFFFAOYSA-N 0 3 240.416 3.719 20 0 BHADHN CC(C)[C@@H](C)NCc1csc(C(C)(C)C)n1 ZINC000098161710 167383966 /nfs/dbraw/zinc/38/39/66/167383966.db2.gz SNQLQRJLQLWGTN-SNVBAGLBSA-N 0 3 240.416 3.575 20 0 BHADHN CC(C)[C@H](C)NCc1csc(C(C)(C)C)n1 ZINC000098161711 187363063 /nfs/dbraw/zinc/36/30/63/187363063.db2.gz SNQLQRJLQLWGTN-JTQLQIEISA-N 0 3 240.416 3.575 20 0 BHADHN CCN(Cc1ccoc1)Cc1ccc(C)cc1 ZINC000102408722 357389174 /nfs/dbraw/zinc/38/91/74/357389174.db2.gz DKDJIWGMSPXKGP-UHFFFAOYSA-N 0 3 229.323 3.610 20 0 BHADHN C/C(=C/c1ccccc1)CNCc1cccs1 ZINC000102419843 367984941 /nfs/dbraw/zinc/98/49/41/367984941.db2.gz KBWFRPLROGQYQW-RAXLEYEMSA-N 0 3 243.375 3.941 20 0 BHADHN CCN(Cc1ccoc1)[C@@H](C)c1ccccc1 ZINC000102517888 357477249 /nfs/dbraw/zinc/47/72/49/357477249.db2.gz NWWGQSAQXWGBPR-ZDUSSCGKSA-N 0 3 229.323 3.863 20 0 BHADHN CCN(Cc1ccoc1)[C@H](C)c1ccccc1 ZINC000102517894 357477589 /nfs/dbraw/zinc/47/75/89/357477589.db2.gz NWWGQSAQXWGBPR-CYBMUJFWSA-N 0 3 229.323 3.863 20 0 BHADHN CCN(CC)Cc1cnc(-c2ccccc2)s1 ZINC000102668092 384723137 /nfs/dbraw/zinc/72/31/37/384723137.db2.gz RGMHWDBZJKVRRI-UHFFFAOYSA-N 0 3 246.379 3.652 20 0 BHADHN CC(C)N(Cc1ccco1)Cc1ccccc1 ZINC000102673840 384576123 /nfs/dbraw/zinc/57/61/23/384576123.db2.gz KACVNIXQMPNBCB-UHFFFAOYSA-N 0 3 229.323 3.690 20 0 BHADHN C[C@@H](c1ccccc1)N(C)Cc1ccsc1 ZINC000102675709 176021069 /nfs/dbraw/zinc/02/10/69/176021069.db2.gz CVIGSMQOBAKFDZ-LBPRGKRZSA-N 0 3 231.364 3.941 20 0 BHADHN C[C@H](c1ccccc1)N(C)Cc1ccsc1 ZINC000102675711 177038895 /nfs/dbraw/zinc/03/88/95/177038895.db2.gz CVIGSMQOBAKFDZ-GFCCVEGCSA-N 0 3 231.364 3.941 20 0 BHADHN Cc1cc(CN(C(C)C)C2CCCCC2)no1 ZINC000102768767 384575811 /nfs/dbraw/zinc/57/58/11/384575811.db2.gz VKXYYDMPUWTGMN-UHFFFAOYSA-N 0 3 236.359 3.526 20 0 BHADHN Cc1ccc(CN(C)Cc2ccccc2)s1 ZINC000102774579 384575706 /nfs/dbraw/zinc/57/57/06/384575706.db2.gz BQIZFJHQVLQTOV-UHFFFAOYSA-N 0 3 231.364 3.689 20 0 BHADHN CC(C)(NCc1cccs1)c1ccc(F)cc1 ZINC000103173311 585067877 /nfs/dbraw/zinc/06/78/77/585067877.db2.gz CNFHBIPIJZFYTP-UHFFFAOYSA-N 0 3 249.354 3.912 20 0 BHADHN CC(C)(NCc1ccsc1)c1ccc(F)cc1 ZINC000103173339 585067894 /nfs/dbraw/zinc/06/78/94/585067894.db2.gz VFFWFJGHAVVEOQ-UHFFFAOYSA-N 0 3 249.354 3.912 20 0 BHADHN CC(C)(NCc1ccccc1)c1ccc(F)cc1 ZINC000103173345 585067870 /nfs/dbraw/zinc/06/78/70/585067870.db2.gz ZIOSQMOAAMSJNC-UHFFFAOYSA-N 0 3 243.325 3.851 20 0 BHADHN Cc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000103468971 384774237 /nfs/dbraw/zinc/77/42/37/384774237.db2.gz VKJFYODRPXSREL-MRXNPFEDSA-N 0 3 240.350 3.660 20 0 BHADHN Cc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000103468972 384774998 /nfs/dbraw/zinc/77/49/98/384774998.db2.gz VKJFYODRPXSREL-INIZCTEOSA-N 0 3 240.350 3.660 20 0 BHADHN CCN(Cc1ccccn1)[C@@H](C)c1ccccc1 ZINC000104949071 346548834 /nfs/dbraw/zinc/54/88/34/346548834.db2.gz ILALQZCUMHWSHA-AWEZNQCLSA-N 0 3 240.350 3.665 20 0 BHADHN CCN(Cc1ccccn1)[C@H](C)c1ccccc1 ZINC000104949076 346548649 /nfs/dbraw/zinc/54/86/49/346548649.db2.gz ILALQZCUMHWSHA-CQSZACIVSA-N 0 3 240.350 3.665 20 0 BHADHN c1coc(CN[C@@H](c2ccccc2)C2CCC2)c1 ZINC000105430824 588169105 /nfs/dbraw/zinc/16/91/05/588169105.db2.gz ATIFJTWINPAIQN-INIZCTEOSA-N 0 3 241.334 3.911 20 0 BHADHN c1coc(CN[C@H](c2ccccc2)C2CCC2)c1 ZINC000105430827 588169021 /nfs/dbraw/zinc/16/90/21/588169021.db2.gz ATIFJTWINPAIQN-MRXNPFEDSA-N 0 3 241.334 3.911 20 0 BHADHN Cc1ccccc1CC(C)(C)NCc1ccco1 ZINC000105492217 359703160 /nfs/dbraw/zinc/70/31/60/359703160.db2.gz SAZMJIBSJMBWIS-UHFFFAOYSA-N 0 3 243.350 3.699 20 0 BHADHN CC[C@H](NCC(C)(C)C)c1nc(C)cs1 ZINC000105502786 359703428 /nfs/dbraw/zinc/70/34/28/359703428.db2.gz KCGOHJLNFHXRAS-JTQLQIEISA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@@H](NCC(C)(C)C)c1nc(C)cs1 ZINC000105502788 359024609 /nfs/dbraw/zinc/02/46/09/359024609.db2.gz KCGOHJLNFHXRAS-SNVBAGLBSA-N 0 3 226.389 3.538 20 0 BHADHN CC(C)c1nc(CN[C@H]2CCC[C@H]2C)cs1 ZINC000105504860 167664691 /nfs/dbraw/zinc/66/46/91/167664691.db2.gz HVVRJFWABOCKJZ-PWSUYJOCSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1nc(CN[C@H]2CCC[C@@H]2C)cs1 ZINC000105504864 588185545 /nfs/dbraw/zinc/18/55/45/588185545.db2.gz HVVRJFWABOCKJZ-JQWIXIFHSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1nc(CN[C@@H]2CCC[C@H]2C)cs1 ZINC000105504868 588186083 /nfs/dbraw/zinc/18/60/83/588186083.db2.gz HVVRJFWABOCKJZ-ZYHUDNBSSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1nc(CN[C@@H]2CCC[C@@H]2C)cs1 ZINC000105504871 588185871 /nfs/dbraw/zinc/18/58/71/588185871.db2.gz HVVRJFWABOCKJZ-CMPLNLGQSA-N 0 3 238.400 3.545 20 0 BHADHN C[C@H]1CC[C@@H](NCc2ccc(F)cc2F)CC1 ZINC000106222756 177193094 /nfs/dbraw/zinc/19/30/94/177193094.db2.gz MKORCRJNMDLVHR-MJHDQNEOSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CC[C@@H](NCc2cc(F)ccc2F)CC1 ZINC000106222759 387950778 /nfs/dbraw/zinc/95/07/78/387950778.db2.gz JDHVMNMUAPDWTB-MJHDQNEOSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CC[C@@H](NCc2c(F)cccc2F)CC1 ZINC000106222766 177192997 /nfs/dbraw/zinc/19/29/97/177192997.db2.gz UWLSXTUWAASFDQ-XYPYZODXSA-N 0 3 239.309 3.633 20 0 BHADHN c1ccc(CCCN2Cc3ccccc3C2)cc1 ZINC000106303830 323830513 /nfs/dbraw/zinc/83/05/13/323830513.db2.gz WBFFJQOMRCILCG-UHFFFAOYSA-N 0 3 237.346 3.635 20 0 BHADHN Cc1ccc2c(c1)[C@H](NCc1ccccc1)CC2 ZINC000106479667 388595548 /nfs/dbraw/zinc/59/55/48/388595548.db2.gz XLWVEGIOWQRZFB-QGZVFWFLSA-N 0 3 237.346 3.772 20 0 BHADHN Cc1ccc2c(c1)[C@@H](NCc1ccccc1)CC2 ZINC000106479670 388595671 /nfs/dbraw/zinc/59/56/71/388595671.db2.gz XLWVEGIOWQRZFB-KRWDZBQOSA-N 0 3 237.346 3.772 20 0 BHADHN Cc1nc(C)c([C@@H](C)N(C)CCC(C)C)s1 ZINC000106876028 385538942 /nfs/dbraw/zinc/53/89/42/385538942.db2.gz QBHNQXOTVKHHEL-LLVKDONJSA-N 0 3 240.416 3.799 20 0 BHADHN Cc1nc(C)c([C@H](C)N(C)CCC(C)C)s1 ZINC000106876030 385537944 /nfs/dbraw/zinc/53/79/44/385537944.db2.gz QBHNQXOTVKHHEL-NSHDSACASA-N 0 3 240.416 3.799 20 0 BHADHN CC(C)=CCN(C)[C@H](C)c1sc(C)nc1C ZINC000106876105 384937907 /nfs/dbraw/zinc/93/79/07/384937907.db2.gz XPSGUXIIFKLSIO-LLVKDONJSA-N 0 3 238.400 3.719 20 0 BHADHN CC(C)=CCN(C)[C@@H](C)c1sc(C)nc1C ZINC000106876106 384936443 /nfs/dbraw/zinc/93/64/43/384936443.db2.gz XPSGUXIIFKLSIO-NSHDSACASA-N 0 3 238.400 3.719 20 0 BHADHN CCCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000106876549 384937354 /nfs/dbraw/zinc/93/73/54/384937354.db2.gz ABFCFTQMXADUAA-JTQLQIEISA-N 0 3 226.389 3.553 20 0 BHADHN CCCCN(C)[C@H](C)c1sc(C)nc1C ZINC000106876552 384935379 /nfs/dbraw/zinc/93/53/79/384935379.db2.gz ABFCFTQMXADUAA-SNVBAGLBSA-N 0 3 226.389 3.553 20 0 BHADHN Cc1cc(C)cc([C@@H](C)NCc2cccnc2)c1 ZINC000107320125 384960812 /nfs/dbraw/zinc/96/08/12/384960812.db2.gz OJKWDNTXHRJRJX-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cc(C)cc([C@H](C)NCc2cccnc2)c1 ZINC000107320127 384963558 /nfs/dbraw/zinc/96/35/58/384963558.db2.gz OJKWDNTXHRJRJX-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cc(C)cc([C@@H](C)NCc2ccncc2)c1 ZINC000107320238 384962328 /nfs/dbraw/zinc/96/23/28/384962328.db2.gz FCGWFABCTGFYFL-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cc(C)cc([C@H](C)NCc2ccncc2)c1 ZINC000107320240 384963108 /nfs/dbraw/zinc/96/31/08/384963108.db2.gz FCGWFABCTGFYFL-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN c1ccc(OC2CCCC2)c(CNC2CCC2)c1 ZINC000107322785 398182044 /nfs/dbraw/zinc/18/20/44/398182044.db2.gz JDOKXPAXVVOHFQ-UHFFFAOYSA-N 0 3 245.366 3.650 20 0 BHADHN C(=C\c1ccccc1)\CN1CCc2ccccc2C1 ZINC000108190035 369380129 /nfs/dbraw/zinc/38/01/29/369380129.db2.gz NGTBVPMVXAYHJZ-TWGQIWQCSA-N 0 3 249.357 3.758 20 0 BHADHN CCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385676 344503108 /nfs/dbraw/zinc/50/31/08/344503108.db2.gz HOVQEZBPTVNJBX-OAHLLOKOSA-N 0 3 228.339 3.715 20 0 BHADHN CCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108385679 344503184 /nfs/dbraw/zinc/50/31/84/344503184.db2.gz HOVQEZBPTVNJBX-HNNXBMFYSA-N 0 3 228.339 3.715 20 0 BHADHN Cc1cccc([C@@H](C)NCCOC2CCCC2)c1 ZINC000108942800 322812703 /nfs/dbraw/zinc/81/27/03/322812703.db2.gz LXHDCBHRGJIKQP-CQSZACIVSA-N 0 3 247.382 3.605 20 0 BHADHN Cc1cccc([C@H](C)NCCOC2CCCC2)c1 ZINC000108942802 322812883 /nfs/dbraw/zinc/81/28/83/322812883.db2.gz LXHDCBHRGJIKQP-AWEZNQCLSA-N 0 3 247.382 3.605 20 0 BHADHN Fc1cccc2c1CC[C@@H]2NCc1cccs1 ZINC000110058772 181004807 /nfs/dbraw/zinc/00/48/07/181004807.db2.gz SZRGAKFGNMAXAQ-AWEZNQCLSA-N 0 3 247.338 3.664 20 0 BHADHN Fc1cccc2c1CC[C@H]2NCc1cccs1 ZINC000110058776 181006669 /nfs/dbraw/zinc/00/66/69/181006669.db2.gz SZRGAKFGNMAXAQ-CQSZACIVSA-N 0 3 247.338 3.664 20 0 BHADHN Fc1cccc2c1CC[C@@H]2NCc1ccsc1 ZINC000110058815 490396607 /nfs/dbraw/zinc/39/66/07/490396607.db2.gz XEQSHMHEOFUVFA-AWEZNQCLSA-N 0 3 247.338 3.664 20 0 BHADHN Fc1cccc2c1CC[C@H]2NCc1ccsc1 ZINC000110058820 490396317 /nfs/dbraw/zinc/39/63/17/490396317.db2.gz XEQSHMHEOFUVFA-CQSZACIVSA-N 0 3 247.338 3.664 20 0 BHADHN Fc1cccc2c1CC[C@H]2NCc1ccccc1 ZINC000110058831 323112697 /nfs/dbraw/zinc/11/26/97/323112697.db2.gz AYZKXQVIQRNBJC-MRXNPFEDSA-N 0 3 241.309 3.603 20 0 BHADHN Fc1cccc2c1CC[C@@H]2NCc1ccccc1 ZINC000110058834 323112914 /nfs/dbraw/zinc/11/29/14/323112914.db2.gz AYZKXQVIQRNBJC-INIZCTEOSA-N 0 3 241.309 3.603 20 0 BHADHN CN(Cc1ccc(Cl)s1)[C@H]1C=CCCC1 ZINC000110935766 370001485 /nfs/dbraw/zinc/00/14/85/370001485.db2.gz YKJIXEJGHWEIOH-JTQLQIEISA-N 0 3 241.787 3.942 20 0 BHADHN CN(Cc1ccc(Cl)s1)[C@@H]1C=CCCC1 ZINC000110935769 370001179 /nfs/dbraw/zinc/00/11/79/370001179.db2.gz YKJIXEJGHWEIOH-SNVBAGLBSA-N 0 3 241.787 3.942 20 0 BHADHN C[C@@H](c1ccccc1F)N(C)[C@H]1C=CCCC1 ZINC000110936337 370001819 /nfs/dbraw/zinc/00/18/19/370001819.db2.gz QMRDHXLDRYLZGW-STQMWFEESA-N 0 3 233.330 3.927 20 0 BHADHN C[C@H](c1ccccc1F)N(C)[C@H]1C=CCCC1 ZINC000110936340 370001424 /nfs/dbraw/zinc/00/14/24/370001424.db2.gz QMRDHXLDRYLZGW-OLZOCXBDSA-N 0 3 233.330 3.927 20 0 BHADHN C[C@@H]1c2ccsc2CCN1[C@H]1C=CCCC1 ZINC000110938323 370001848 /nfs/dbraw/zinc/00/18/48/370001848.db2.gz AKEFYLUVCUECCA-NEPJUHHUSA-N 0 3 233.380 3.776 20 0 BHADHN C[C@H]1c2ccsc2CCN1[C@H]1C=CCCC1 ZINC000110938328 370001682 /nfs/dbraw/zinc/00/16/82/370001682.db2.gz AKEFYLUVCUECCA-RYUDHWBXSA-N 0 3 233.380 3.776 20 0 BHADHN Cc1cccc(CN(C)[C@@H](C)c2ccncc2)c1 ZINC000111205373 179069017 /nfs/dbraw/zinc/06/90/17/179069017.db2.gz CJBXDDOLRJNELT-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cccc(CN(C)[C@H](C)c2ccncc2)c1 ZINC000111205374 179069995 /nfs/dbraw/zinc/06/99/95/179069995.db2.gz CJBXDDOLRJNELT-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN C[C@@H](c1cccc(O)c1)N(C)Cc1ccccc1 ZINC000111239270 176019489 /nfs/dbraw/zinc/01/94/89/176019489.db2.gz UCXGVKPIGHYQTM-ZDUSSCGKSA-N 0 3 241.334 3.585 20 0 BHADHN C[C@H](c1cccc(O)c1)N(C)Cc1ccccc1 ZINC000111239272 177037477 /nfs/dbraw/zinc/03/74/77/177037477.db2.gz UCXGVKPIGHYQTM-CYBMUJFWSA-N 0 3 241.334 3.585 20 0 BHADHN C[C@@H](c1ccccc1F)N(C)CC1CCC1 ZINC000111295995 176025016 /nfs/dbraw/zinc/02/50/16/176025016.db2.gz SHZONTZPCZFTQD-NSHDSACASA-N 0 3 221.319 3.619 20 0 BHADHN C[C@H](c1ccccc1F)N(C)CC1CCC1 ZINC000111295996 177041480 /nfs/dbraw/zinc/04/14/80/177041480.db2.gz SHZONTZPCZFTQD-LLVKDONJSA-N 0 3 221.319 3.619 20 0 BHADHN c1ccc(CN2CCCC3(CCCCC3)C2)nc1 ZINC000111323408 183397138 /nfs/dbraw/zinc/39/71/38/183397138.db2.gz LWNBOSXTZMFOOR-UHFFFAOYSA-N 0 3 244.382 3.628 20 0 BHADHN CC(C)(CCc1ccccc1)NCc1ccco1 ZINC000111387410 323159623 /nfs/dbraw/zinc/15/96/23/323159623.db2.gz ZJQOTFNGWLMKME-UHFFFAOYSA-N 0 3 243.350 3.781 20 0 BHADHN c1coc(CN[C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000111412657 323159742 /nfs/dbraw/zinc/15/97/42/323159742.db2.gz BIMWQOIWIQMEBV-HOTGVXAUSA-N 0 3 241.334 3.706 20 0 BHADHN c1coc(CN[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000111412660 323159690 /nfs/dbraw/zinc/15/96/90/323159690.db2.gz BIMWQOIWIQMEBV-CVEARBPZSA-N 0 3 241.334 3.706 20 0 BHADHN c1coc(CN[C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000111412662 323159731 /nfs/dbraw/zinc/15/97/31/323159731.db2.gz BIMWQOIWIQMEBV-JKSUJKDBSA-N 0 3 241.334 3.706 20 0 BHADHN c1coc(CN[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000111412664 323159810 /nfs/dbraw/zinc/15/98/10/323159810.db2.gz BIMWQOIWIQMEBV-HZPDHXFCSA-N 0 3 241.334 3.706 20 0 BHADHN CC1(CNCc2cc(F)ccc2F)CCCC1 ZINC000111618168 323162211 /nfs/dbraw/zinc/16/22/11/323162211.db2.gz BXZCSVZTFADOEY-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN CC1(CNCc2ccc(F)cc2F)CCCC1 ZINC000111618237 370168472 /nfs/dbraw/zinc/16/84/72/370168472.db2.gz OYXKUVJNKJJIEW-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN CC1(CNCc2c(F)cccc2F)CCCC1 ZINC000111618297 323162160 /nfs/dbraw/zinc/16/21/60/323162160.db2.gz NNZUCUBQCRMMJD-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN Cc1ccccc1[C@@H](C)NCCOC1CCCC1 ZINC000111634406 323162092 /nfs/dbraw/zinc/16/20/92/323162092.db2.gz GBYNJIIEAWXZCG-CQSZACIVSA-N 0 3 247.382 3.605 20 0 BHADHN Cc1ccccc1[C@H](C)NCCOC1CCCC1 ZINC000111634407 323162068 /nfs/dbraw/zinc/16/20/68/323162068.db2.gz GBYNJIIEAWXZCG-AWEZNQCLSA-N 0 3 247.382 3.605 20 0 BHADHN Cc1ccc([C@@H](C)NCCOC2CCCC2)cc1 ZINC000111634914 322982407 /nfs/dbraw/zinc/98/24/07/322982407.db2.gz LTCLQJUARDAFNP-CQSZACIVSA-N 0 3 247.382 3.605 20 0 BHADHN Cc1ccc([C@H](C)NCCOC2CCCC2)cc1 ZINC000111634917 323162077 /nfs/dbraw/zinc/16/20/77/323162077.db2.gz LTCLQJUARDAFNP-AWEZNQCLSA-N 0 3 247.382 3.605 20 0 BHADHN C[C@H](NCCOC1CCCCC1)c1ccccc1 ZINC000111635879 323161964 /nfs/dbraw/zinc/16/19/64/323161964.db2.gz OZYMGSYHFJGGFQ-AWEZNQCLSA-N 0 3 247.382 3.687 20 0 BHADHN C[C@@H](NCCOC1CCCCC1)c1ccccc1 ZINC000111635880 323162056 /nfs/dbraw/zinc/16/20/56/323162056.db2.gz OZYMGSYHFJGGFQ-CQSZACIVSA-N 0 3 247.382 3.687 20 0 BHADHN CC1(CNCc2cccc(F)c2F)CCCC1 ZINC000111728171 168043037 /nfs/dbraw/zinc/04/30/37/168043037.db2.gz NOHJEFLOXFJCOA-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN Cc1ccsc1CNCc1ccc(F)cc1C ZINC000112017584 178086676 /nfs/dbraw/zinc/08/66/76/178086676.db2.gz XYLLAPATYABUDE-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN C[C@H](NCc1cc(F)ccc1F)C1CCCC1 ZINC000112173744 411498746 /nfs/dbraw/zinc/49/87/46/411498746.db2.gz HUAAZHOZYMZYQM-JTQLQIEISA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H](NCc1cc(F)ccc1F)C1CCCC1 ZINC000112173746 411498978 /nfs/dbraw/zinc/49/89/78/411498978.db2.gz HUAAZHOZYMZYQM-SNVBAGLBSA-N 0 3 239.309 3.633 20 0 BHADHN Cc1ccsc1CNC/C=C/c1ccccc1 ZINC000112204792 323166899 /nfs/dbraw/zinc/16/68/99/323166899.db2.gz MBEKSMIGKVZKSC-VMPITWQZSA-N 0 3 243.375 3.860 20 0 BHADHN CC(C)c1nc(CN[C@H](C)C(C)(C)C)cs1 ZINC000112375838 368870996 /nfs/dbraw/zinc/87/09/96/368870996.db2.gz IVDMLYGBBYSEDL-SNVBAGLBSA-N 0 3 240.416 3.791 20 0 BHADHN CC[C@@H](Cc1ccccc1)NCc1ccc(C)o1 ZINC000112466765 323170380 /nfs/dbraw/zinc/17/03/80/323170380.db2.gz BAVZZEXQDJNVHP-HNNXBMFYSA-N 0 3 243.350 3.699 20 0 BHADHN CC[C@H](Cc1ccccc1)NCc1ccc(C)o1 ZINC000112466767 323170323 /nfs/dbraw/zinc/17/03/23/323170323.db2.gz BAVZZEXQDJNVHP-OAHLLOKOSA-N 0 3 243.350 3.699 20 0 BHADHN C[C@@H](c1ccco1)N(C)CCC(C)(C)C ZINC000112697255 344649888 /nfs/dbraw/zinc/64/98/88/344649888.db2.gz NENRGIYZDUPUGH-NSHDSACASA-N 0 3 209.333 3.709 20 0 BHADHN C[C@H](c1ccco1)N(C)CCC(C)(C)C ZINC000112697256 370345300 /nfs/dbraw/zinc/34/53/00/370345300.db2.gz NENRGIYZDUPUGH-LLVKDONJSA-N 0 3 209.333 3.709 20 0 BHADHN CC(C)=CCN(Cc1cccc(O)c1)CC1CC1 ZINC000112978670 323172595 /nfs/dbraw/zinc/17/25/95/323172595.db2.gz JJEVHRFZQJBSKJ-UHFFFAOYSA-N 0 3 245.366 3.570 20 0 BHADHN Cc1ccc2c(c1)[C@H](NCc1cccs1)CC2 ZINC000113310425 383977043 /nfs/dbraw/zinc/97/70/43/383977043.db2.gz RTZZNNXWUNOVDE-OAHLLOKOSA-N 0 3 243.375 3.834 20 0 BHADHN Cc1ccc2c(c1)[C@@H](NCc1cccs1)CC2 ZINC000113310427 383976325 /nfs/dbraw/zinc/97/63/25/383976325.db2.gz RTZZNNXWUNOVDE-HNNXBMFYSA-N 0 3 243.375 3.834 20 0 BHADHN Cc1ccc2c(c1)[C@H](NCc1ccsc1)CC2 ZINC000113310671 383976963 /nfs/dbraw/zinc/97/69/63/383976963.db2.gz XEVCJNDYABETPJ-OAHLLOKOSA-N 0 3 243.375 3.834 20 0 BHADHN Cc1ccc2c(c1)[C@@H](NCc1ccsc1)CC2 ZINC000113310674 383975606 /nfs/dbraw/zinc/97/56/06/383975606.db2.gz XEVCJNDYABETPJ-HNNXBMFYSA-N 0 3 243.375 3.834 20 0 BHADHN CCCC(C)(C)NCc1csc(C2CC2)n1 ZINC000113340835 354654212 /nfs/dbraw/zinc/65/42/12/354654212.db2.gz VZPPZZNIPHKAJG-UHFFFAOYSA-N 0 3 238.400 3.689 20 0 BHADHN C[C@@H](NCc1csc(C2CC2)n1)C(C)(C)C ZINC000113342166 323187725 /nfs/dbraw/zinc/18/77/25/323187725.db2.gz PGYJNIPBGNLHIU-SECBINFHSA-N 0 3 238.400 3.545 20 0 BHADHN c1coc(CNC2(c3ccccc3)CCCC2)c1 ZINC000113958328 370526393 /nfs/dbraw/zinc/52/63/93/370526393.db2.gz VETWTJMQFJIWBM-UHFFFAOYSA-N 0 3 241.334 3.839 20 0 BHADHN Cc1cc(CNCc2cc(C)cc(C)c2)c(C)o1 ZINC000114504598 588874926 /nfs/dbraw/zinc/87/49/26/588874926.db2.gz NOJLLMKHBSDZNF-UHFFFAOYSA-N 0 3 243.350 3.803 20 0 BHADHN CCc1ccc(CNCc2cc(C)oc2C)s1 ZINC000114504714 588874947 /nfs/dbraw/zinc/87/49/47/588874947.db2.gz IJJNFQHFDISSPJ-UHFFFAOYSA-N 0 3 249.379 3.810 20 0 BHADHN Cc1cc(CNCc2ccc(C)cc2C)c(C)o1 ZINC000114505096 588874963 /nfs/dbraw/zinc/87/49/63/588874963.db2.gz OEVVPACFAKPLTP-UHFFFAOYSA-N 0 3 243.350 3.803 20 0 BHADHN Cc1cc(CNCc2sccc2C)c(C)o1 ZINC000114505226 588874779 /nfs/dbraw/zinc/87/47/79/588874779.db2.gz DPOFSXJLTFZAPO-UHFFFAOYSA-N 0 3 235.352 3.556 20 0 BHADHN CC(C)c1cc(CNC2CCCCCC2)on1 ZINC000114510782 370570441 /nfs/dbraw/zinc/57/04/41/370570441.db2.gz LPJIXUSOZZCNJY-UHFFFAOYSA-N 0 3 236.359 3.610 20 0 BHADHN CCCc1nc(CN[C@H](C)C(C)(C)C)cs1 ZINC000114722940 346974376 /nfs/dbraw/zinc/97/43/76/346974376.db2.gz CNVVFALPBWDIBW-SNVBAGLBSA-N 0 3 240.416 3.620 20 0 BHADHN C[C@@H]1C[C@H](c2ccccc2)CN1C/C=C/Cl ZINC000115739565 588925254 /nfs/dbraw/zinc/92/52/54/588925254.db2.gz FHRFWQOXYLEVQE-MZMNXDGSSA-N 0 3 235.758 3.617 20 0 BHADHN C[C@@H]1C[C@@H](c2ccccc2)CN1C/C=C/Cl ZINC000115739570 588925368 /nfs/dbraw/zinc/92/53/68/588925368.db2.gz FHRFWQOXYLEVQE-VMIDCOPPSA-N 0 3 235.758 3.617 20 0 BHADHN Cc1nc(CNC2(C)CCC(C)CC2)cs1 ZINC000116341490 386942033 /nfs/dbraw/zinc/94/20/33/386942033.db2.gz KTTVNIBJHIPVFG-UHFFFAOYSA-N 0 3 238.400 3.510 20 0 BHADHN CCC(C)(CC)NCc1csc(C2CC2)n1 ZINC000116359472 168311450 /nfs/dbraw/zinc/31/14/50/168311450.db2.gz ULUHQTHEFYIYSO-UHFFFAOYSA-N 0 3 238.400 3.689 20 0 BHADHN CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccco1 ZINC000116383431 323204984 /nfs/dbraw/zinc/20/49/84/323204984.db2.gz WRICTMSNBXJNMK-ZFWWWQNUSA-N 0 3 243.350 3.952 20 0 BHADHN CC[C@H](Cc1ccccc1)N[C@@H](C)c1ccco1 ZINC000116383434 323205017 /nfs/dbraw/zinc/20/50/17/323205017.db2.gz WRICTMSNBXJNMK-DZGCQCFKSA-N 0 3 243.350 3.952 20 0 BHADHN CC[C@@H](Cc1ccccc1)N[C@H](C)c1ccco1 ZINC000116383437 323204963 /nfs/dbraw/zinc/20/49/63/323204963.db2.gz WRICTMSNBXJNMK-HIFRSBDPSA-N 0 3 243.350 3.952 20 0 BHADHN CC[C@H](Cc1ccccc1)N[C@H](C)c1ccco1 ZINC000116383442 323204970 /nfs/dbraw/zinc/20/49/70/323204970.db2.gz WRICTMSNBXJNMK-UKRRQHHQSA-N 0 3 243.350 3.952 20 0 BHADHN C[C@@H](CN(C)Cc1ccco1)c1ccccc1 ZINC000116876650 388072232 /nfs/dbraw/zinc/07/22/32/388072232.db2.gz LUCPYTHYHJRDAM-ZDUSSCGKSA-N 0 3 229.323 3.515 20 0 BHADHN C[C@H](CN(C)Cc1ccco1)c1ccccc1 ZINC000116876652 388071657 /nfs/dbraw/zinc/07/16/57/388071657.db2.gz LUCPYTHYHJRDAM-CYBMUJFWSA-N 0 3 229.323 3.515 20 0 BHADHN C[C@@H](CN1Cc2ccccc2C1)c1ccccc1 ZINC000116878981 344737200 /nfs/dbraw/zinc/73/72/00/344737200.db2.gz DQYXKLKGUXFFMR-AWEZNQCLSA-N 0 3 237.346 3.806 20 0 BHADHN C[C@H](CN1Cc2ccccc2C1)c1ccccc1 ZINC000116878983 344737196 /nfs/dbraw/zinc/73/71/96/344737196.db2.gz DQYXKLKGUXFFMR-CQSZACIVSA-N 0 3 237.346 3.806 20 0 BHADHN Cc1ccc(F)c(CNCCc2cccs2)c1 ZINC000116912291 388073920 /nfs/dbraw/zinc/07/39/20/388073920.db2.gz GFIHTCRWGQADEO-UHFFFAOYSA-N 0 3 249.354 3.528 20 0 BHADHN Cc1csc(CNC2(C)CCC(C)CC2)n1 ZINC000117385823 387020191 /nfs/dbraw/zinc/02/01/91/387020191.db2.gz DQFIXTJDSAGYNU-UHFFFAOYSA-N 0 3 238.400 3.510 20 0 BHADHN CC(C)(CNCc1ccco1)Cc1ccccc1 ZINC000117392221 370912924 /nfs/dbraw/zinc/91/29/24/370912924.db2.gz BYJIOTTZADBLGF-UHFFFAOYSA-N 0 3 243.350 3.638 20 0 BHADHN CCCCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000117881164 386033071 /nfs/dbraw/zinc/03/30/71/386033071.db2.gz KYVGVKYRSVYUJK-NSHDSACASA-N 0 3 240.416 3.943 20 0 BHADHN CCCCCN(C)[C@H](C)c1sc(C)nc1C ZINC000117881167 386033090 /nfs/dbraw/zinc/03/30/90/386033090.db2.gz KYVGVKYRSVYUJK-LLVKDONJSA-N 0 3 240.416 3.943 20 0 BHADHN Cc1ccc([C@@H](C)N(C)Cc2ccncc2)cc1 ZINC000118888536 384216868 /nfs/dbraw/zinc/21/68/68/384216868.db2.gz MVDCWCKKTBTSTH-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccc([C@H](C)N(C)Cc2ccncc2)cc1 ZINC000118888537 384217555 /nfs/dbraw/zinc/21/75/55/384217555.db2.gz MVDCWCKKTBTSTH-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN CCC(CC)(CC)NCc1nccn1C(C)C ZINC000118984367 168317590 /nfs/dbraw/zinc/31/75/90/168317590.db2.gz SXUXBNWFJNXKAQ-UHFFFAOYSA-N 0 3 237.391 3.522 20 0 BHADHN Cc1cccc([C@@H](C)N(C)Cc2cccnc2)c1 ZINC000119042854 179178840 /nfs/dbraw/zinc/17/88/40/179178840.db2.gz KPIFBTSSDABEHS-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cccc([C@H](C)N(C)Cc2cccnc2)c1 ZINC000119042928 179193126 /nfs/dbraw/zinc/19/31/26/179193126.db2.gz KPIFBTSSDABEHS-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccc(CN[C@@H](C)CC(F)(F)F)cc1F ZINC000119103344 388104754 /nfs/dbraw/zinc/10/47/54/388104754.db2.gz LHBDCMJITCZVFO-VIFPVBQESA-N 0 3 249.251 3.565 20 0 BHADHN Cc1ccc(CN[C@H](C)CC(F)(F)F)cc1F ZINC000119103466 388104504 /nfs/dbraw/zinc/10/45/04/388104504.db2.gz LHBDCMJITCZVFO-SECBINFHSA-N 0 3 249.251 3.565 20 0 BHADHN Cc1cc(CN[C@@H](C)Cc2ccsc2)c(C)o1 ZINC000119112301 589242710 /nfs/dbraw/zinc/24/27/10/589242710.db2.gz WNUXDBFAJIDVRJ-JTQLQIEISA-N 0 3 249.379 3.679 20 0 BHADHN Cc1cc(CN[C@H](C)Cc2ccsc2)c(C)o1 ZINC000119112404 589242519 /nfs/dbraw/zinc/24/25/19/589242519.db2.gz WNUXDBFAJIDVRJ-SNVBAGLBSA-N 0 3 249.379 3.679 20 0 BHADHN CSCCCN([C@@H](C)c1ccco1)C1CC1 ZINC000119132797 384238095 /nfs/dbraw/zinc/23/80/95/384238095.db2.gz MCSMBYKEDGYNAP-NSHDSACASA-N 0 3 239.384 3.558 20 0 BHADHN CSCCCN([C@H](C)c1ccco1)C1CC1 ZINC000119132930 384238374 /nfs/dbraw/zinc/23/83/74/384238374.db2.gz MCSMBYKEDGYNAP-LLVKDONJSA-N 0 3 239.384 3.558 20 0 BHADHN CCCCN([C@@H](C)c1ccco1)C1CC1 ZINC000119182183 388106607 /nfs/dbraw/zinc/10/66/07/388106607.db2.gz OXKVBPXROIAPGN-NSHDSACASA-N 0 3 207.317 3.605 20 0 BHADHN CCCCN([C@H](C)c1ccco1)C1CC1 ZINC000119182290 388106989 /nfs/dbraw/zinc/10/69/89/388106989.db2.gz OXKVBPXROIAPGN-LLVKDONJSA-N 0 3 207.317 3.605 20 0 BHADHN CCSCCN([C@@H](C)c1ccco1)C1CC1 ZINC000119183481 384244903 /nfs/dbraw/zinc/24/49/03/384244903.db2.gz WLQHGYLWVHCENL-NSHDSACASA-N 0 3 239.384 3.558 20 0 BHADHN CCSCCN([C@H](C)c1ccco1)C1CC1 ZINC000119183619 384245147 /nfs/dbraw/zinc/24/51/47/384245147.db2.gz WLQHGYLWVHCENL-LLVKDONJSA-N 0 3 239.384 3.558 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)N(C)CCCF ZINC000119268747 176014249 /nfs/dbraw/zinc/01/42/49/176014249.db2.gz JAQCURQJCOCIDJ-JTQLQIEISA-N 0 3 229.726 3.692 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N(C)CCCF ZINC000119268910 177033467 /nfs/dbraw/zinc/03/34/67/177033467.db2.gz JAQCURQJCOCIDJ-SNVBAGLBSA-N 0 3 229.726 3.692 20 0 BHADHN Cc1ccoc1CN(C)[C@@H](C)c1ccccc1 ZINC000119379167 387125337 /nfs/dbraw/zinc/12/53/37/387125337.db2.gz DXVKBGJSIJXWLH-ZDUSSCGKSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1ccoc1CN(C)[C@H](C)c1ccccc1 ZINC000119379315 387124463 /nfs/dbraw/zinc/12/44/63/387124463.db2.gz DXVKBGJSIJXWLH-CYBMUJFWSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1cc(CN[C@@H](C)CC(F)(F)F)ccc1F ZINC000119415380 323925266 /nfs/dbraw/zinc/92/52/66/323925266.db2.gz YIHINGANYPBBGK-VIFPVBQESA-N 0 3 249.251 3.565 20 0 BHADHN Cc1cc(CN[C@H](C)CC(F)(F)F)ccc1F ZINC000119415505 323925302 /nfs/dbraw/zinc/92/53/02/323925302.db2.gz YIHINGANYPBBGK-SECBINFHSA-N 0 3 249.251 3.565 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H](C)CC(F)(F)F)c(C)o1 ZINC000119431348 178230402 /nfs/dbraw/zinc/23/04/02/178230402.db2.gz IGIBDXNKZXGRBK-IONNQARKSA-N 0 3 249.276 3.888 20 0 BHADHN Cc1cc([C@H](C)N[C@@H](C)CC(F)(F)F)c(C)o1 ZINC000119431475 178252350 /nfs/dbraw/zinc/25/23/50/178252350.db2.gz IGIBDXNKZXGRBK-CBAPKCEASA-N 0 3 249.276 3.888 20 0 BHADHN Cc1cc([C@@H](C)N[C@H](C)CC(F)(F)F)c(C)o1 ZINC000119431615 178233448 /nfs/dbraw/zinc/23/34/48/178233448.db2.gz IGIBDXNKZXGRBK-VXNVDRBHSA-N 0 3 249.276 3.888 20 0 BHADHN Cc1cc([C@H](C)N[C@H](C)CC(F)(F)F)c(C)o1 ZINC000119431739 178255593 /nfs/dbraw/zinc/25/55/93/178255593.db2.gz IGIBDXNKZXGRBK-APPZFPTMSA-N 0 3 249.276 3.888 20 0 BHADHN C[C@H](NCCc1ccccc1Cl)c1ccco1 ZINC000119458551 323924204 /nfs/dbraw/zinc/92/42/04/323924204.db2.gz IHTVYEKVMKNMJV-NSHDSACASA-N 0 3 249.741 3.826 20 0 BHADHN C[C@@H](NCCc1ccccc1Cl)c1ccco1 ZINC000119458631 323924156 /nfs/dbraw/zinc/92/41/56/323924156.db2.gz IHTVYEKVMKNMJV-LLVKDONJSA-N 0 3 249.741 3.826 20 0 BHADHN CC[C@@H](C)NCc1csc(-c2ccccc2)n1 ZINC000119826242 387144441 /nfs/dbraw/zinc/14/44/41/387144441.db2.gz JSCJPKLAFMICNX-LLVKDONJSA-N 0 3 246.379 3.698 20 0 BHADHN CC[C@H](C)NCc1csc(-c2ccccc2)n1 ZINC000119826428 323934801 /nfs/dbraw/zinc/93/48/01/323934801.db2.gz JSCJPKLAFMICNX-NSHDSACASA-N 0 3 246.379 3.698 20 0 BHADHN Cc1cc(CNCCSC(C)(C)C)c(C)o1 ZINC000119850299 589345377 /nfs/dbraw/zinc/34/53/77/589345377.db2.gz HFHDABLCLGGOOL-UHFFFAOYSA-N 0 3 241.400 3.518 20 0 BHADHN Cl/C=C/CN[C@@H](c1ccccc1)C1CCC1 ZINC000119869497 589345673 /nfs/dbraw/zinc/34/56/73/589345673.db2.gz FUJSZNNLITVIAU-SEIPJRMCSA-N 0 3 235.758 3.870 20 0 BHADHN Cl/C=C/CN[C@H](c1ccccc1)C1CCC1 ZINC000119869692 589345694 /nfs/dbraw/zinc/34/56/94/589345694.db2.gz FUJSZNNLITVIAU-AZWQULSGSA-N 0 3 235.758 3.870 20 0 BHADHN CC(C)n1ccnc1CN[C@@H]1CCCCC1(C)C ZINC000119952103 384039250 /nfs/dbraw/zinc/03/92/50/384039250.db2.gz DPJLTBSZSSCQSP-CYBMUJFWSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccnc1CN[C@H]1CCCCC1(C)C ZINC000119952242 384038367 /nfs/dbraw/zinc/03/83/67/384038367.db2.gz DPJLTBSZSSCQSP-ZDUSSCGKSA-N 0 3 249.402 3.522 20 0 BHADHN CCCCNCc1csc(-c2ccccc2)n1 ZINC000119974146 589353647 /nfs/dbraw/zinc/35/36/47/589353647.db2.gz JKEDUXOJSZDDSO-UHFFFAOYSA-N 0 3 246.379 3.700 20 0 BHADHN c1cc2c(cccc2CN2Cc3ccccc3C2)[nH]1 ZINC000119975933 537816790 /nfs/dbraw/zinc/81/67/90/537816790.db2.gz KLIHPQXJSJMABL-UHFFFAOYSA-N 0 3 248.329 3.684 20 0 BHADHN [O-]c1cccc(C[N@@H+](CC2CC2)C2CCCC2)c1 ZINC000120085259 343107218 /nfs/dbraw/zinc/10/72/18/343107218.db2.gz VDZIQZUKNALVFE-UHFFFAOYSA-N 0 3 245.366 3.547 20 0 BHADHN [O-]c1cccc(C[N@H+](CC2CC2)C2CCCC2)c1 ZINC000120085259 343107216 /nfs/dbraw/zinc/10/72/16/343107216.db2.gz VDZIQZUKNALVFE-UHFFFAOYSA-N 0 3 245.366 3.547 20 0 BHADHN CCN(Cc1nccs1)[C@@H]1CCCC[C@@H]1C ZINC000120087979 387178309 /nfs/dbraw/zinc/17/83/09/387178309.db2.gz OMFJGNDIVKJWHF-NWDGAFQWSA-N 0 3 238.400 3.544 20 0 BHADHN CCN(Cc1nccs1)[C@H]1CCCC[C@@H]1C ZINC000120088132 387178640 /nfs/dbraw/zinc/17/86/40/387178640.db2.gz OMFJGNDIVKJWHF-RYUDHWBXSA-N 0 3 238.400 3.544 20 0 BHADHN Cc1cc(CN[C@@H](C)c2ccccc2)c(C)o1 ZINC000120107487 589377368 /nfs/dbraw/zinc/37/73/68/589377368.db2.gz LYUKJYHZLMGDJI-LBPRGKRZSA-N 0 3 229.323 3.747 20 0 BHADHN Cc1cc(CN[C@H](C)c2ccccc2)c(C)o1 ZINC000120108174 589377675 /nfs/dbraw/zinc/37/76/75/589377675.db2.gz LYUKJYHZLMGDJI-GFCCVEGCSA-N 0 3 229.323 3.747 20 0 BHADHN c1nc(C2CC2)sc1CNCCC1=CCCC1 ZINC000120140239 323979438 /nfs/dbraw/zinc/97/94/38/323979438.db2.gz UIOFREMTFJRGFY-UHFFFAOYSA-N 0 3 248.395 3.611 20 0 BHADHN Cc1csc([C@H](N[C@@H](C)C(C)C)C2CC2)n1 ZINC000120155812 387191478 /nfs/dbraw/zinc/19/14/78/387191478.db2.gz BFPIRZAINHXFHP-CMPLNLGQSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@@H](N[C@@H](C)C(C)C)C2CC2)n1 ZINC000120155892 387191142 /nfs/dbraw/zinc/19/11/42/387191142.db2.gz BFPIRZAINHXFHP-JQWIXIFHSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@H](N[C@H](C)C(C)C)C2CC2)n1 ZINC000120155987 387191632 /nfs/dbraw/zinc/19/16/32/387191632.db2.gz BFPIRZAINHXFHP-ZYHUDNBSSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@@H](N[C@H](C)C(C)C)C2CC2)n1 ZINC000120156109 387192166 /nfs/dbraw/zinc/19/21/66/387192166.db2.gz BFPIRZAINHXFHP-PWSUYJOCSA-N 0 3 238.400 3.537 20 0 BHADHN c1csc([C@@H]2CCCCN2C2CCCC2)n1 ZINC000120157265 387190912 /nfs/dbraw/zinc/19/09/12/387190912.db2.gz KEYVJLYOEIFQQW-LBPRGKRZSA-N 0 3 236.384 3.613 20 0 BHADHN c1csc([C@H]2CCCCN2C2CCCC2)n1 ZINC000120157385 387191488 /nfs/dbraw/zinc/19/14/88/387191488.db2.gz KEYVJLYOEIFQQW-GFCCVEGCSA-N 0 3 236.384 3.613 20 0 BHADHN c1sc(C2CC2)nc1CNCCC1=CCCC1 ZINC000120159075 187385292 /nfs/dbraw/zinc/38/52/92/187385292.db2.gz ZJIARUXYFIOOMR-UHFFFAOYSA-N 0 3 248.395 3.611 20 0 BHADHN Fc1ccc(F)c(CNCCC2=CCCC2)c1 ZINC000120160122 387191687 /nfs/dbraw/zinc/19/16/87/387191687.db2.gz YXUGUNXTDDHHSW-UHFFFAOYSA-N 0 3 237.293 3.555 20 0 BHADHN Fc1ccc(CNCCC2=CCCC2)c(F)c1 ZINC000120160294 322991846 /nfs/dbraw/zinc/99/18/46/322991846.db2.gz ZYMZDJNTKABWGC-UHFFFAOYSA-N 0 3 237.293 3.555 20 0 BHADHN Fc1cccc(F)c1CNCCC1=CCCC1 ZINC000120165645 181000513 /nfs/dbraw/zinc/00/05/13/181000513.db2.gz SFICVVUVXJBGEL-UHFFFAOYSA-N 0 3 237.293 3.555 20 0 BHADHN CCCCCN(Cc1cncnc1)[C@@H](C)CCC ZINC000120283253 490059758 /nfs/dbraw/zinc/05/97/58/490059758.db2.gz VZTRLCWJVRCEIV-AWEZNQCLSA-N 0 3 249.402 3.657 20 0 BHADHN CCCCCN(Cc1cncnc1)[C@H](C)CCC ZINC000120283457 490059601 /nfs/dbraw/zinc/05/96/01/490059601.db2.gz VZTRLCWJVRCEIV-CQSZACIVSA-N 0 3 249.402 3.657 20 0 BHADHN Cc1nc(CN(C(C)C)C2CCCC2)cs1 ZINC000120649029 387260073 /nfs/dbraw/zinc/26/00/73/387260073.db2.gz DETGBHHLHWXIJF-UHFFFAOYSA-N 0 3 238.400 3.605 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nccs1 ZINC000120781741 343134457 /nfs/dbraw/zinc/13/44/57/343134457.db2.gz JCWFPFHYILUYMM-NEPJUHHUSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1nccs1 ZINC000120781884 343134411 /nfs/dbraw/zinc/13/44/11/343134411.db2.gz JCWFPFHYILUYMM-RYUDHWBXSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1nccs1 ZINC000120782002 344901550 /nfs/dbraw/zinc/90/15/50/344901550.db2.gz JCWFPFHYILUYMM-VXGBXAGGSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@H]1CCCC[C@H]1N(C)Cc1nccs1 ZINC000120782180 343133395 /nfs/dbraw/zinc/13/33/95/343133395.db2.gz JCWFPFHYILUYMM-NWDGAFQWSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)CN[C@@H](C)c1csc(C(C)C)n1 ZINC000120817803 167011322 /nfs/dbraw/zinc/01/13/22/167011322.db2.gz XUIYIXBLKURRLH-JTQLQIEISA-N 0 3 226.389 3.573 20 0 BHADHN CC(C)CN[C@H](C)c1csc(C(C)C)n1 ZINC000120817971 167013399 /nfs/dbraw/zinc/01/33/99/167013399.db2.gz XUIYIXBLKURRLH-SNVBAGLBSA-N 0 3 226.389 3.573 20 0 BHADHN CCN(CCCF)Cc1ccccc1Cl ZINC000120820630 387275877 /nfs/dbraw/zinc/27/58/77/387275877.db2.gz SCGGBAGERYXDMN-UHFFFAOYSA-N 0 3 229.726 3.522 20 0 BHADHN CC(C)=CCN[C@@H](c1ncccc1C)C(C)C ZINC000120834707 384383299 /nfs/dbraw/zinc/38/32/99/384383299.db2.gz KLRNZDDUTOMTEY-CQSZACIVSA-N 0 3 232.371 3.643 20 0 BHADHN CC(C)=CCN[C@H](c1ncccc1C)C(C)C ZINC000120834831 188328423 /nfs/dbraw/zinc/32/84/23/188328423.db2.gz KLRNZDDUTOMTEY-AWEZNQCLSA-N 0 3 232.371 3.643 20 0 BHADHN Cc1cnc([C@H](N[C@@H](C)C(C)C)C2CC2)s1 ZINC000120867211 387277419 /nfs/dbraw/zinc/27/74/19/387277419.db2.gz ODGWAFPWDUMTIH-CMPLNLGQSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1cnc([C@@H](N[C@@H](C)C(C)C)C2CC2)s1 ZINC000120867367 387278902 /nfs/dbraw/zinc/27/89/02/387278902.db2.gz ODGWAFPWDUMTIH-JQWIXIFHSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1cnc([C@H](N[C@H](C)C(C)C)C2CC2)s1 ZINC000120867533 387277618 /nfs/dbraw/zinc/27/76/18/387277618.db2.gz ODGWAFPWDUMTIH-ZYHUDNBSSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1cnc([C@@H](N[C@H](C)C(C)C)C2CC2)s1 ZINC000120867672 387279325 /nfs/dbraw/zinc/27/93/25/387279325.db2.gz ODGWAFPWDUMTIH-PWSUYJOCSA-N 0 3 238.400 3.537 20 0 BHADHN CCc1ccccc1CNCc1cc(C)oc1C ZINC000120891172 589475512 /nfs/dbraw/zinc/47/55/12/589475512.db2.gz GRXYFOJWUQUWCC-UHFFFAOYSA-N 0 3 243.350 3.749 20 0 BHADHN C[C@H](NCCCC1CCCC1)c1cncs1 ZINC000120909688 398202145 /nfs/dbraw/zinc/20/21/45/398202145.db2.gz RUGAIBDSADPJGD-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN C[C@@H](NCCCC1CCCC1)c1cncs1 ZINC000120909820 324000080 /nfs/dbraw/zinc/00/00/80/324000080.db2.gz RUGAIBDSADPJGD-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN CCC[C@@H](C)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000120918743 169371396 /nfs/dbraw/zinc/37/13/96/169371396.db2.gz LNRMSFDDJMXJRX-BXKDBHETSA-N 0 3 238.400 3.681 20 0 BHADHN CCC[C@H](C)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000120918952 490102890 /nfs/dbraw/zinc/10/28/90/490102890.db2.gz LNRMSFDDJMXJRX-JOYOIKCWSA-N 0 3 238.400 3.681 20 0 BHADHN CCC[C@@H](C)N[C@H](c1ncc(C)s1)C1CC1 ZINC000120919142 169371467 /nfs/dbraw/zinc/37/14/67/169371467.db2.gz LNRMSFDDJMXJRX-SKDRFNHKSA-N 0 3 238.400 3.681 20 0 BHADHN CCC[C@H](C)N[C@H](c1ncc(C)s1)C1CC1 ZINC000120919293 490102643 /nfs/dbraw/zinc/10/26/43/490102643.db2.gz LNRMSFDDJMXJRX-CABZTGNLSA-N 0 3 238.400 3.681 20 0 BHADHN CC(C)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000120960893 167131871 /nfs/dbraw/zinc/13/18/71/167131871.db2.gz COECWJIAIUEQNI-NSHDSACASA-N 0 3 249.251 3.817 20 0 BHADHN CC(C)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000120961065 167138118 /nfs/dbraw/zinc/13/81/18/167138118.db2.gz COECWJIAIUEQNI-LLVKDONJSA-N 0 3 249.251 3.817 20 0 BHADHN CCN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000120998479 384390809 /nfs/dbraw/zinc/39/08/09/384390809.db2.gz HQHRGQHOECAVQB-JTQLQIEISA-N 0 3 226.389 3.588 20 0 BHADHN CCN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000120998621 384392558 /nfs/dbraw/zinc/39/25/58/384392558.db2.gz HQHRGQHOECAVQB-SNVBAGLBSA-N 0 3 226.389 3.588 20 0 BHADHN CCCN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121063430 169086895 /nfs/dbraw/zinc/08/68/95/169086895.db2.gz TWIOBUKVPSVXEY-NSHDSACASA-N 0 3 240.416 3.978 20 0 BHADHN CCCN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121063597 169085538 /nfs/dbraw/zinc/08/55/38/169085538.db2.gz TWIOBUKVPSVXEY-LLVKDONJSA-N 0 3 240.416 3.978 20 0 BHADHN CCSCC[C@@H](C)NCc1cc(C)oc1C ZINC000121121452 589501983 /nfs/dbraw/zinc/50/19/83/589501983.db2.gz NEOYKZBUUPCHRG-SNVBAGLBSA-N 0 3 241.400 3.518 20 0 BHADHN CCSCC[C@H](C)NCc1cc(C)oc1C ZINC000121121619 589502311 /nfs/dbraw/zinc/50/23/11/589502311.db2.gz NEOYKZBUUPCHRG-JTQLQIEISA-N 0 3 241.400 3.518 20 0 BHADHN CCC(CC)c1cc(CN[C@@H](C)C(C)C)on1 ZINC000121141561 324002555 /nfs/dbraw/zinc/00/25/55/324002555.db2.gz DOKOMINXJGJNRX-NSHDSACASA-N 0 3 238.375 3.712 20 0 BHADHN CCC(CC)c1cc(CN[C@H](C)C(C)C)on1 ZINC000121141741 324001931 /nfs/dbraw/zinc/00/19/31/324001931.db2.gz DOKOMINXJGJNRX-LLVKDONJSA-N 0 3 238.375 3.712 20 0 BHADHN CC(C)c1nc([C@@H](C)NCC2CCC2)cs1 ZINC000121230990 385829296 /nfs/dbraw/zinc/82/92/96/385829296.db2.gz LVRUCEKGEAXHHU-SNVBAGLBSA-N 0 3 238.400 3.717 20 0 BHADHN CC(C)c1nc([C@H](C)NCC2CCC2)cs1 ZINC000121231120 385829402 /nfs/dbraw/zinc/82/94/02/385829402.db2.gz LVRUCEKGEAXHHU-JTQLQIEISA-N 0 3 238.400 3.717 20 0 BHADHN CN(CCCF)Cc1csc2ccccc12 ZINC000121235525 384404340 /nfs/dbraw/zinc/40/43/40/384404340.db2.gz ZKNRDZHESZVVRD-UHFFFAOYSA-N 0 3 237.343 3.693 20 0 BHADHN CCN(CCCF)Cc1cccc(Cl)c1 ZINC000121395808 487857479 /nfs/dbraw/zinc/85/74/79/487857479.db2.gz JDRHFPVFMGWFHW-UHFFFAOYSA-N 0 3 229.726 3.522 20 0 BHADHN FCCCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000121485392 387355496 /nfs/dbraw/zinc/35/54/96/387355496.db2.gz UXNXVPWMEZRKLL-UHFFFAOYSA-N 0 3 241.737 3.664 20 0 BHADHN FCCCN1CCC[C@H]1c1cccc(Cl)c1 ZINC000121491427 324015360 /nfs/dbraw/zinc/01/53/60/324015360.db2.gz FCVJMMGYUMVKDY-ZDUSSCGKSA-N 0 3 241.737 3.837 20 0 BHADHN FCCCN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000121491541 324015372 /nfs/dbraw/zinc/01/53/72/324015372.db2.gz FCVJMMGYUMVKDY-CYBMUJFWSA-N 0 3 241.737 3.837 20 0 BHADHN C[C@@H](c1cccc(Cl)c1)N(C)CCCF ZINC000121514743 176016466 /nfs/dbraw/zinc/01/64/66/176016466.db2.gz CNTQTBSFBFKJKP-JTQLQIEISA-N 0 3 229.726 3.692 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N(C)CCCF ZINC000121514874 177036430 /nfs/dbraw/zinc/03/64/30/177036430.db2.gz CNTQTBSFBFKJKP-SNVBAGLBSA-N 0 3 229.726 3.692 20 0 BHADHN C[C@@H](c1ccccc1Cl)N(C)CCCF ZINC000121515711 176023965 /nfs/dbraw/zinc/02/39/65/176023965.db2.gz WSUVTTHGYGRDMX-JTQLQIEISA-N 0 3 229.726 3.692 20 0 BHADHN C[C@H](c1ccccc1Cl)N(C)CCCF ZINC000121515870 177041465 /nfs/dbraw/zinc/04/14/65/177041465.db2.gz WSUVTTHGYGRDMX-SNVBAGLBSA-N 0 3 229.726 3.692 20 0 BHADHN FCCCN1CCC[C@H]1c1ccccc1Cl ZINC000121530702 324012391 /nfs/dbraw/zinc/01/23/91/324012391.db2.gz JKZWBBHPTXZMSU-ZDUSSCGKSA-N 0 3 241.737 3.837 20 0 BHADHN FCCCN1CCC[C@@H]1c1ccccc1Cl ZINC000121530837 324012696 /nfs/dbraw/zinc/01/26/96/324012696.db2.gz JKZWBBHPTXZMSU-CYBMUJFWSA-N 0 3 241.737 3.837 20 0 BHADHN CC(C)N[C@H](c1ccc(F)cc1F)C(C)C ZINC000121656821 324019528 /nfs/dbraw/zinc/01/95/28/324019528.db2.gz NLCHKOFPXATOLZ-ZDUSSCGKSA-N 0 3 227.298 3.660 20 0 BHADHN CC(C)N[C@@H](c1ccc(F)cc1F)C(C)C ZINC000121657026 324019495 /nfs/dbraw/zinc/01/94/95/324019495.db2.gz NLCHKOFPXATOLZ-CYBMUJFWSA-N 0 3 227.298 3.660 20 0 BHADHN CC(C)N[C@@H](C)c1c(F)cccc1Cl ZINC000121698567 167131424 /nfs/dbraw/zinc/13/14/24/167131424.db2.gz PUQIJIXQSONUOZ-QMMMGPOBSA-N 0 3 215.699 3.538 20 0 BHADHN CC(C)N[C@H](C)c1c(F)cccc1Cl ZINC000121698721 167138412 /nfs/dbraw/zinc/13/84/12/167138412.db2.gz PUQIJIXQSONUOZ-MRVPVSSYSA-N 0 3 215.699 3.538 20 0 BHADHN C[C@@H](c1nc2ccccc2s1)N(C)CC1CC1 ZINC000121778315 176039602 /nfs/dbraw/zinc/03/96/02/176039602.db2.gz HVBZKDLFJFWYAQ-JTQLQIEISA-N 0 3 246.379 3.699 20 0 BHADHN C[C@H](c1nc2ccccc2s1)N(C)CC1CC1 ZINC000121778470 177054723 /nfs/dbraw/zinc/05/47/23/177054723.db2.gz HVBZKDLFJFWYAQ-SNVBAGLBSA-N 0 3 246.379 3.699 20 0 BHADHN Cc1ccc(CN(C)[C@@H](C)c2ccccc2)cn1 ZINC000121862364 387424814 /nfs/dbraw/zinc/42/48/14/387424814.db2.gz GONNTYLKXNPTAQ-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccc(CN(C)[C@H](C)c2ccccc2)cn1 ZINC000121862543 387425030 /nfs/dbraw/zinc/42/50/30/387425030.db2.gz GONNTYLKXNPTAQ-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN Fc1ccc2c(c1)[C@H](NC1CC=CC1)CCS2 ZINC000121977848 490115872 /nfs/dbraw/zinc/11/58/72/490115872.db2.gz PMMNGVAHDVDQIU-CYBMUJFWSA-N 0 3 249.354 3.671 20 0 BHADHN Fc1ccc2c(c1)[C@@H](NC1CC=CC1)CCS2 ZINC000121978033 490116033 /nfs/dbraw/zinc/11/60/33/490116033.db2.gz PMMNGVAHDVDQIU-ZDUSSCGKSA-N 0 3 249.354 3.671 20 0 BHADHN C[C@@H]1CC[C@H](NCc2c(F)cccc2Cl)C1 ZINC000121986344 360174193 /nfs/dbraw/zinc/17/41/93/360174193.db2.gz YYBPQYXOIPJIHA-ZJUUUORDSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CC[C@H](NCc2c(F)cccc2Cl)C1 ZINC000121986550 360174050 /nfs/dbraw/zinc/17/40/50/360174050.db2.gz YYBPQYXOIPJIHA-UWVGGRQHSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H]1CC[C@@H](NCc2c(F)cccc2Cl)C1 ZINC000121986773 360174022 /nfs/dbraw/zinc/17/40/22/360174022.db2.gz YYBPQYXOIPJIHA-NXEZZACHSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CC[C@@H](NCc2c(F)cccc2Cl)C1 ZINC000121986954 360173941 /nfs/dbraw/zinc/17/39/41/360173941.db2.gz YYBPQYXOIPJIHA-VHSXEESVSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H](NC1CC=CC1)c1ccc(F)cc1Cl ZINC000122022182 490118884 /nfs/dbraw/zinc/11/88/84/490118884.db2.gz ZYKZIKWBXONPKZ-VIFPVBQESA-N 0 3 239.721 3.848 20 0 BHADHN C[C@@H]1CC[C@H](NCc2cccc(Cl)c2F)C1 ZINC000122022283 589549999 /nfs/dbraw/zinc/54/99/99/589549999.db2.gz RXZWQCSLKATURH-KOLCDFICSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H](NC1CC=CC1)c1ccc(F)cc1Cl ZINC000122022412 490119471 /nfs/dbraw/zinc/11/94/71/490119471.db2.gz ZYKZIKWBXONPKZ-SECBINFHSA-N 0 3 239.721 3.848 20 0 BHADHN C[C@H]1CC[C@H](NCc2cccc(Cl)c2F)C1 ZINC000122022512 589550111 /nfs/dbraw/zinc/55/01/11/589550111.db2.gz RXZWQCSLKATURH-ONGXEEELSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H]1CC[C@@H](NCc2cccc(Cl)c2F)C1 ZINC000122022725 589549878 /nfs/dbraw/zinc/54/98/78/589549878.db2.gz RXZWQCSLKATURH-MWLCHTKSSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CC[C@@H](NCc2cccc(Cl)c2F)C1 ZINC000122022932 589550097 /nfs/dbraw/zinc/55/00/97/589550097.db2.gz RXZWQCSLKATURH-GXSJLCMTSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@H](NC1CC=CC1)c1cc(F)ccc1F ZINC000122023195 490119220 /nfs/dbraw/zinc/11/92/20/490119220.db2.gz UWJWQOKVNYLUBE-AWEZNQCLSA-N 0 3 237.293 3.724 20 0 BHADHN CC[C@@H](NC1CC=CC1)c1cc(F)ccc1F ZINC000122023384 490119083 /nfs/dbraw/zinc/11/90/83/490119083.db2.gz UWJWQOKVNYLUBE-CQSZACIVSA-N 0 3 237.293 3.724 20 0 BHADHN Cc1cccc(C)c1CNCc1ccsc1 ZINC000122061357 179036789 /nfs/dbraw/zinc/03/67/89/179036789.db2.gz IWQBWUKIHYBZOF-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN c1ccc2c(c1)nccc2NC[C@@H]1CCCS1 ZINC000122081130 387464775 /nfs/dbraw/zinc/46/47/75/387464775.db2.gz JNCDGRLYZKKJQE-NSHDSACASA-N 0 3 244.363 3.542 20 0 BHADHN c1ccc2c(c1)nccc2NC[C@H]1CCCS1 ZINC000122081367 384686850 /nfs/dbraw/zinc/68/68/50/384686850.db2.gz JNCDGRLYZKKJQE-LLVKDONJSA-N 0 3 244.363 3.542 20 0 BHADHN Cc1cc(CNCc2c(C)cccc2C)c(C)o1 ZINC000122097489 589554179 /nfs/dbraw/zinc/55/41/79/589554179.db2.gz GTQDZCYYNPSFNR-UHFFFAOYSA-N 0 3 243.350 3.803 20 0 BHADHN CCCCN(C)[C@@H](C)c1sc(CC)nc1C ZINC000122107404 387485935 /nfs/dbraw/zinc/48/59/35/387485935.db2.gz YHGPFBIKNFKQHW-NSHDSACASA-N 0 3 240.416 3.807 20 0 BHADHN CCCCN(C)[C@H](C)c1sc(CC)nc1C ZINC000122107624 387486168 /nfs/dbraw/zinc/48/61/68/387486168.db2.gz YHGPFBIKNFKQHW-LLVKDONJSA-N 0 3 240.416 3.807 20 0 BHADHN CCc1ccc([C@@H](C)NCCOC(C)(C)C)cc1 ZINC000122162762 324032059 /nfs/dbraw/zinc/03/20/59/324032059.db2.gz ITWVHTLFUNWJAV-CYBMUJFWSA-N 0 3 249.398 3.715 20 0 BHADHN CCc1ccc([C@H](C)NCCOC(C)(C)C)cc1 ZINC000122162990 324031693 /nfs/dbraw/zinc/03/16/93/324031693.db2.gz ITWVHTLFUNWJAV-ZDUSSCGKSA-N 0 3 249.398 3.715 20 0 BHADHN CCc1ccc([C@@H](C)NCC(C)(C)SC)o1 ZINC000122173126 589560837 /nfs/dbraw/zinc/56/08/37/589560837.db2.gz CBYSXBDXZPQPKV-SNVBAGLBSA-N 0 3 241.400 3.634 20 0 BHADHN CCc1ccc([C@H](C)NCC(C)(C)SC)o1 ZINC000122173398 589560900 /nfs/dbraw/zinc/56/09/00/589560900.db2.gz CBYSXBDXZPQPKV-JTQLQIEISA-N 0 3 241.400 3.634 20 0 BHADHN CC(C)c1ccc(CNCCOC(C)(C)C)cc1 ZINC000122185267 324033061 /nfs/dbraw/zinc/03/30/61/324033061.db2.gz WUUWDUNETBPIIM-UHFFFAOYSA-N 0 3 249.398 3.715 20 0 BHADHN c1csc([C@H](NCc2ccoc2)C2CC2)c1 ZINC000122204137 589565707 /nfs/dbraw/zinc/56/57/07/589565707.db2.gz CJEAAKJJICNLHU-CYBMUJFWSA-N 0 3 233.336 3.582 20 0 BHADHN c1csc([C@@H](NCc2ccoc2)C2CC2)c1 ZINC000122204352 589565405 /nfs/dbraw/zinc/56/54/05/589565405.db2.gz CJEAAKJJICNLHU-ZDUSSCGKSA-N 0 3 233.336 3.582 20 0 BHADHN CCC(CC)CN[C@@H](CC)c1nc(C)cs1 ZINC000122273355 490131317 /nfs/dbraw/zinc/13/13/17/490131317.db2.gz UQBIEVAINHAMGC-LBPRGKRZSA-N 0 3 240.416 3.928 20 0 BHADHN CCC(CC)CN[C@H](CC)c1nc(C)cs1 ZINC000122273542 490131432 /nfs/dbraw/zinc/13/14/32/490131432.db2.gz UQBIEVAINHAMGC-GFCCVEGCSA-N 0 3 240.416 3.928 20 0 BHADHN CCCCCCN(Cc1ccncc1)C1CC1 ZINC000122275038 589574022 /nfs/dbraw/zinc/57/40/22/589574022.db2.gz WXJBRKVTXVTAOQ-UHFFFAOYSA-N 0 3 232.371 3.626 20 0 BHADHN CCCC(C)(C)NCc1cc(F)ccc1F ZINC000122358405 324045320 /nfs/dbraw/zinc/04/53/20/324045320.db2.gz CBCZYSLUQFTGJY-UHFFFAOYSA-N 0 3 227.298 3.633 20 0 BHADHN CCCC(C)(C)NCc1cccc(F)c1F ZINC000122371726 324041728 /nfs/dbraw/zinc/04/17/28/324041728.db2.gz LWZFIQHGDSQMCU-UHFFFAOYSA-N 0 3 227.298 3.633 20 0 BHADHN CCc1ccc(CN[C@@H]2CCC(C)(C)C2)o1 ZINC000122401185 387526977 /nfs/dbraw/zinc/52/69/77/387526977.db2.gz CNHRUEOTKBCRBH-LLVKDONJSA-N 0 3 221.344 3.510 20 0 BHADHN CCc1ccc(CN[C@H]2CCC(C)(C)C2)o1 ZINC000122401368 387527095 /nfs/dbraw/zinc/52/70/95/387527095.db2.gz CNHRUEOTKBCRBH-NSHDSACASA-N 0 3 221.344 3.510 20 0 BHADHN CC1(C)CC[C@H](NCc2ccc(Cl)o2)C1 ZINC000122404378 188179192 /nfs/dbraw/zinc/17/91/92/188179192.db2.gz RKGUPOIAHQBEAB-VIFPVBQESA-N 0 3 227.735 3.601 20 0 BHADHN CC1(C)CC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000122404545 350111851 /nfs/dbraw/zinc/11/18/51/350111851.db2.gz RKGUPOIAHQBEAB-SECBINFHSA-N 0 3 227.735 3.601 20 0 BHADHN COc1cccc(F)c1[C@H](C)N[C@H](C)C(C)C ZINC000122421350 324044236 /nfs/dbraw/zinc/04/42/36/324044236.db2.gz FXRFCEWFGGDVPJ-MNOVXSKESA-N 0 3 239.334 3.529 20 0 BHADHN COc1cccc(F)c1[C@H](C)N[C@@H](C)C(C)C ZINC000122421546 323169038 /nfs/dbraw/zinc/16/90/38/323169038.db2.gz FXRFCEWFGGDVPJ-QWRGUYRKSA-N 0 3 239.334 3.529 20 0 BHADHN COc1cccc(F)c1[C@@H](C)N[C@H](C)C(C)C ZINC000122421755 324043954 /nfs/dbraw/zinc/04/39/54/324043954.db2.gz FXRFCEWFGGDVPJ-GHMZBOCLSA-N 0 3 239.334 3.529 20 0 BHADHN COc1cccc(F)c1[C@@H](C)N[C@@H](C)C(C)C ZINC000122421984 324044604 /nfs/dbraw/zinc/04/46/04/324044604.db2.gz FXRFCEWFGGDVPJ-WDEREUQCSA-N 0 3 239.334 3.529 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H]2CCC(C)(C)C2)cs1 ZINC000122446470 180036731 /nfs/dbraw/zinc/03/67/31/180036731.db2.gz NQHZGOXPGIHKMQ-MWLCHTKSSA-N 0 3 238.400 3.681 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1c(F)cccc1OC ZINC000122446536 324047987 /nfs/dbraw/zinc/04/79/87/324047987.db2.gz RUSVGVZXWCGGPL-MNOVXSKESA-N 0 3 239.334 3.674 20 0 BHADHN Cc1nc([C@H](C)N[C@@H]2CCC(C)(C)C2)cs1 ZINC000122446680 180051662 /nfs/dbraw/zinc/05/16/62/180051662.db2.gz NQHZGOXPGIHKMQ-GXSJLCMTSA-N 0 3 238.400 3.681 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1c(F)cccc1OC ZINC000122446750 324048294 /nfs/dbraw/zinc/04/82/94/324048294.db2.gz RUSVGVZXWCGGPL-QWRGUYRKSA-N 0 3 239.334 3.674 20 0 BHADHN Cc1nc([C@@H](C)N[C@H]2CCC(C)(C)C2)cs1 ZINC000122446882 180038049 /nfs/dbraw/zinc/03/80/49/180038049.db2.gz NQHZGOXPGIHKMQ-KOLCDFICSA-N 0 3 238.400 3.681 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1c(F)cccc1OC ZINC000122446962 323400329 /nfs/dbraw/zinc/40/03/29/323400329.db2.gz RUSVGVZXWCGGPL-GHMZBOCLSA-N 0 3 239.334 3.674 20 0 BHADHN Cc1nc([C@H](C)N[C@H]2CCC(C)(C)C2)cs1 ZINC000122447107 180051706 /nfs/dbraw/zinc/05/17/06/180051706.db2.gz NQHZGOXPGIHKMQ-ONGXEEELSA-N 0 3 238.400 3.681 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1c(F)cccc1OC ZINC000122447247 324048233 /nfs/dbraw/zinc/04/82/33/324048233.db2.gz RUSVGVZXWCGGPL-WDEREUQCSA-N 0 3 239.334 3.674 20 0 BHADHN CCC(CC)N[C@@H](C)c1c(F)cccc1OC ZINC000122502833 324046480 /nfs/dbraw/zinc/04/64/80/324046480.db2.gz PSXKDWYWKSRAQI-JTQLQIEISA-N 0 3 239.334 3.674 20 0 BHADHN CCC(CC)N[C@H](C)c1c(F)cccc1OC ZINC000122503110 324045939 /nfs/dbraw/zinc/04/59/39/324045939.db2.gz PSXKDWYWKSRAQI-SNVBAGLBSA-N 0 3 239.334 3.674 20 0 BHADHN CC[C@@H](C)CNC1(c2nccs2)CCCC1 ZINC000122578422 385648870 /nfs/dbraw/zinc/64/88/70/385648870.db2.gz UKGCJMSKAPLXCX-LLVKDONJSA-N 0 3 238.400 3.548 20 0 BHADHN CC[C@H](C)CNC1(c2nccs2)CCCC1 ZINC000122578641 171283704 /nfs/dbraw/zinc/28/37/04/171283704.db2.gz UKGCJMSKAPLXCX-NSHDSACASA-N 0 3 238.400 3.548 20 0 BHADHN CC[C@@H](C)CN[C@@](C)(CC)c1nc(C)cs1 ZINC000122581655 324049646 /nfs/dbraw/zinc/04/96/46/324049646.db2.gz IWANWVCJESBFFG-MFKMUULPSA-N 0 3 240.416 3.712 20 0 BHADHN CC[C@H](C)CN[C@@](C)(CC)c1nc(C)cs1 ZINC000122581906 324049321 /nfs/dbraw/zinc/04/93/21/324049321.db2.gz IWANWVCJESBFFG-GWCFXTLKSA-N 0 3 240.416 3.712 20 0 BHADHN CC[C@@H](C)CN[C@](C)(CC)c1nc(C)cs1 ZINC000122582138 324049241 /nfs/dbraw/zinc/04/92/41/324049241.db2.gz IWANWVCJESBFFG-ZWNOBZJWSA-N 0 3 240.416 3.712 20 0 BHADHN CC[C@H](C)CN[C@](C)(CC)c1nc(C)cs1 ZINC000122582390 324050264 /nfs/dbraw/zinc/05/02/64/324050264.db2.gz IWANWVCJESBFFG-GXFFZTMASA-N 0 3 240.416 3.712 20 0 BHADHN CC[C@@H](C)CNC(C)(C)c1nc(C)c(C)s1 ZINC000122584045 385658705 /nfs/dbraw/zinc/65/87/05/385658705.db2.gz HIVRVQIWWKUHNK-SECBINFHSA-N 0 3 240.416 3.631 20 0 BHADHN CC[C@H](C)CNC(C)(C)c1nc(C)c(C)s1 ZINC000122584306 171283855 /nfs/dbraw/zinc/28/38/55/171283855.db2.gz HIVRVQIWWKUHNK-VIFPVBQESA-N 0 3 240.416 3.631 20 0 BHADHN CCC1(CN[C@@H](C)c2ccco2)CCC1 ZINC000122723285 324054383 /nfs/dbraw/zinc/05/43/83/324054383.db2.gz VJTJRRKHLLARMW-NSHDSACASA-N 0 3 207.317 3.511 20 0 BHADHN CCC1(CN[C@H](C)c2ccco2)CCC1 ZINC000122723511 324054354 /nfs/dbraw/zinc/05/43/54/324054354.db2.gz VJTJRRKHLLARMW-LLVKDONJSA-N 0 3 207.317 3.511 20 0 BHADHN CCC1(CN[C@@H](C)c2ccc(C)o2)CCC1 ZINC000122731981 387593342 /nfs/dbraw/zinc/59/33/42/387593342.db2.gz QMPUKDCUFAEOPT-LBPRGKRZSA-N 0 3 221.344 3.819 20 0 BHADHN CCC1(CN[C@H](C)c2ccc(C)o2)CCC1 ZINC000122732191 387592652 /nfs/dbraw/zinc/59/26/52/387592652.db2.gz QMPUKDCUFAEOPT-GFCCVEGCSA-N 0 3 221.344 3.819 20 0 BHADHN CCSCCN1CCC[C@@H]1c1ccsc1 ZINC000122800720 384511248 /nfs/dbraw/zinc/51/12/48/384511248.db2.gz BEFVTNJMWXUFHA-GFCCVEGCSA-N 0 3 241.425 3.638 20 0 BHADHN CCSCCN1CCC[C@H]1c1ccsc1 ZINC000122800965 384509974 /nfs/dbraw/zinc/50/99/74/384509974.db2.gz BEFVTNJMWXUFHA-LBPRGKRZSA-N 0 3 241.425 3.638 20 0 BHADHN C[C@H](NCCC1CCC1)c1cc(F)ccc1F ZINC000122833052 490178279 /nfs/dbraw/zinc/17/82/79/490178279.db2.gz NNSBHHYUVQOAIS-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCCC1CCC1)c1cc(F)ccc1F ZINC000122833287 490484882 /nfs/dbraw/zinc/48/48/82/490484882.db2.gz NNSBHHYUVQOAIS-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@H](NCCC1CCC1)c1ccc(F)cc1F ZINC000122835831 490178265 /nfs/dbraw/zinc/17/82/65/490178265.db2.gz SAXPSBNHPVTOGR-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCCC1CCC1)c1ccc(F)cc1F ZINC000122836045 490178578 /nfs/dbraw/zinc/17/85/78/490178578.db2.gz SAXPSBNHPVTOGR-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@H](NCCC1CCC1)c1c(F)cccc1F ZINC000122837687 589636924 /nfs/dbraw/zinc/63/69/24/589636924.db2.gz JWGMVWSJHLSDFT-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCCC1CCC1)c1c(F)cccc1F ZINC000122837892 589636582 /nfs/dbraw/zinc/63/65/82/589636582.db2.gz JWGMVWSJHLSDFT-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN CCCCC[C@@H](C)NCc1ncc(C)s1 ZINC000122841906 385818777 /nfs/dbraw/zinc/81/87/77/385818777.db2.gz YTQIZBXZRRKXBO-SNVBAGLBSA-N 0 3 226.389 3.510 20 0 BHADHN CCCCC[C@H](C)NCc1ncc(C)s1 ZINC000122842126 385818395 /nfs/dbraw/zinc/81/83/95/385818395.db2.gz YTQIZBXZRRKXBO-JTQLQIEISA-N 0 3 226.389 3.510 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1ncc(C)s1 ZINC000122898561 191073457 /nfs/dbraw/zinc/07/34/57/191073457.db2.gz BDXRSQCLTBJCIO-NSHDSACASA-N 0 3 238.400 3.676 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1ncc(C)s1 ZINC000122898727 191073331 /nfs/dbraw/zinc/07/33/31/191073331.db2.gz BDXRSQCLTBJCIO-LLVKDONJSA-N 0 3 238.400 3.676 20 0 BHADHN C[C@@H](c1ccco1)N(C)CCc1ccccc1 ZINC000122961563 176031665 /nfs/dbraw/zinc/03/16/65/176031665.db2.gz ODJNEJSQCDDQTN-ZDUSSCGKSA-N 0 3 229.323 3.515 20 0 BHADHN C[C@H](c1ccco1)N(C)CCc1ccccc1 ZINC000122961717 177048095 /nfs/dbraw/zinc/04/80/95/177048095.db2.gz ODJNEJSQCDDQTN-CYBMUJFWSA-N 0 3 229.323 3.515 20 0 BHADHN CCC[C@@H](C)[C@@H](CC)NCc1ncc(C)s1 ZINC000122962172 324067644 /nfs/dbraw/zinc/06/76/44/324067644.db2.gz YYJIQERKHYRNFM-ZYHUDNBSSA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@H](C)[C@@H](CC)NCc1ncc(C)s1 ZINC000122962356 324069376 /nfs/dbraw/zinc/06/93/76/324069376.db2.gz YYJIQERKHYRNFM-CMPLNLGQSA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@@H](C)[C@H](CC)NCc1ncc(C)s1 ZINC000122962591 324069310 /nfs/dbraw/zinc/06/93/10/324069310.db2.gz YYJIQERKHYRNFM-PWSUYJOCSA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@H](C)[C@H](CC)NCc1ncc(C)s1 ZINC000122962752 324069583 /nfs/dbraw/zinc/06/95/83/324069583.db2.gz YYJIQERKHYRNFM-JQWIXIFHSA-N 0 3 240.416 3.756 20 0 BHADHN CC[C@@H](C)C[C@@H](CC)NCc1ncc(C)s1 ZINC000122977908 324068623 /nfs/dbraw/zinc/06/86/23/324068623.db2.gz ZIWKWRCPGLSKEA-ZYHUDNBSSA-N 0 3 240.416 3.756 20 0 BHADHN CC[C@H](C[C@@H](C)CC)NCc1ncc(C)s1 ZINC000122978150 324068907 /nfs/dbraw/zinc/06/89/07/324068907.db2.gz ZIWKWRCPGLSKEA-CMPLNLGQSA-N 0 3 240.416 3.756 20 0 BHADHN CC[C@@H](C)C[C@H](CC)NCc1ncc(C)s1 ZINC000122978421 324069485 /nfs/dbraw/zinc/06/94/85/324069485.db2.gz ZIWKWRCPGLSKEA-PWSUYJOCSA-N 0 3 240.416 3.756 20 0 BHADHN CC[C@H](C)C[C@H](CC)NCc1ncc(C)s1 ZINC000122978646 324069791 /nfs/dbraw/zinc/06/97/91/324069791.db2.gz ZIWKWRCPGLSKEA-JQWIXIFHSA-N 0 3 240.416 3.756 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNCCC2CCC2)o1 ZINC000123012864 589651803 /nfs/dbraw/zinc/65/18/03/589651803.db2.gz JWJVWMCFOJFBJB-RISCZKNCSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNCCC2CCC2)o1 ZINC000123013109 589651721 /nfs/dbraw/zinc/65/17/21/589651721.db2.gz JWJVWMCFOJFBJB-FZMZJTMJSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNCCC2CCC2)o1 ZINC000123013257 589651828 /nfs/dbraw/zinc/65/18/28/589651828.db2.gz JWJVWMCFOJFBJB-BXUZGUMPSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNCCC2CCC2)o1 ZINC000123013472 589651648 /nfs/dbraw/zinc/65/16/48/589651648.db2.gz JWJVWMCFOJFBJB-SMDDNHRTSA-N 0 3 233.355 3.683 20 0 BHADHN Cc1cnc(CN[C@@H](C)CCCC(C)C)s1 ZINC000123013880 385850758 /nfs/dbraw/zinc/85/07/58/385850758.db2.gz GTDGHTLRMKJVJH-NSHDSACASA-N 0 3 240.416 3.756 20 0 BHADHN Cc1cnc(CN[C@H](C)CCCC(C)C)s1 ZINC000123014113 385850976 /nfs/dbraw/zinc/85/09/76/385850976.db2.gz GTDGHTLRMKJVJH-LLVKDONJSA-N 0 3 240.416 3.756 20 0 BHADHN CCCC[C@@H](CC)NCc1ncc(C)s1 ZINC000123014363 343161509 /nfs/dbraw/zinc/16/15/09/343161509.db2.gz YQUBKZRACBXYRO-LLVKDONJSA-N 0 3 226.389 3.510 20 0 BHADHN CCCC[C@H](CC)NCc1ncc(C)s1 ZINC000123014555 343161302 /nfs/dbraw/zinc/16/13/02/343161302.db2.gz YQUBKZRACBXYRO-NSHDSACASA-N 0 3 226.389 3.510 20 0 BHADHN CCCCCC[C@@H](C)NCc1ncc(C)s1 ZINC000123029361 589652983 /nfs/dbraw/zinc/65/29/83/589652983.db2.gz BDWFWXNCGDHVBK-LLVKDONJSA-N 0 3 240.416 3.900 20 0 BHADHN CCCCCC[C@H](C)NCc1ncc(C)s1 ZINC000123029630 589652885 /nfs/dbraw/zinc/65/28/85/589652885.db2.gz BDWFWXNCGDHVBK-NSHDSACASA-N 0 3 240.416 3.900 20 0 BHADHN Cc1cnc(CN[C@@H]2CCCCC2(C)C)s1 ZINC000123050922 387642091 /nfs/dbraw/zinc/64/20/91/387642091.db2.gz GCEXEZKRDGHKCE-LLVKDONJSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cnc(CN[C@H]2CCCCC2(C)C)s1 ZINC000123051144 387640724 /nfs/dbraw/zinc/64/07/24/387640724.db2.gz GCEXEZKRDGHKCE-NSHDSACASA-N 0 3 238.400 3.510 20 0 BHADHN Cc1ccc([C@@H](C)N(C)Cc2ccco2)cc1 ZINC000123059499 387641299 /nfs/dbraw/zinc/64/12/99/387641299.db2.gz FBZNSFFHMNKZDL-CYBMUJFWSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1ccc([C@H](C)N(C)Cc2ccco2)cc1 ZINC000123059721 387641808 /nfs/dbraw/zinc/64/18/08/387641808.db2.gz FBZNSFFHMNKZDL-ZDUSSCGKSA-N 0 3 229.323 3.781 20 0 BHADHN CCC1(CN[C@@H](C)c2ccco2)CCCC1 ZINC000123139092 324086144 /nfs/dbraw/zinc/08/61/44/324086144.db2.gz RAOOQAYHRHVIJW-LBPRGKRZSA-N 0 3 221.344 3.901 20 0 BHADHN CCC1(CN[C@H](C)c2ccco2)CCCC1 ZINC000123139347 324085745 /nfs/dbraw/zinc/08/57/45/324085745.db2.gz RAOOQAYHRHVIJW-GFCCVEGCSA-N 0 3 221.344 3.901 20 0 BHADHN CCCC(C)(C)NCc1ccc(F)cc1F ZINC000123193546 322996374 /nfs/dbraw/zinc/99/63/74/322996374.db2.gz GGMXBNOTZNFSTH-UHFFFAOYSA-N 0 3 227.298 3.633 20 0 BHADHN CCCC(C)(C)NCc1ccc(Cl)o1 ZINC000123199521 324096976 /nfs/dbraw/zinc/09/69/76/324096976.db2.gz BSXZAZGWXUJRQA-UHFFFAOYSA-N 0 3 215.724 3.601 20 0 BHADHN Cc1ccncc1CN[C@H](C)c1ccccc1C ZINC000123213405 384539138 /nfs/dbraw/zinc/53/91/38/384539138.db2.gz HXDULIXDJVRYGL-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccncc1CN[C@@H](C)c1ccccc1C ZINC000123213714 384540876 /nfs/dbraw/zinc/54/08/76/384540876.db2.gz HXDULIXDJVRYGL-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN CC[C@@H]1CCC[C@@H]1NCc1cc(F)ccc1F ZINC000123213986 324101870 /nfs/dbraw/zinc/10/18/70/324101870.db2.gz DGNDNGRGZWJSEB-YGRLFVJLSA-N 0 3 239.309 3.633 20 0 BHADHN CC[C@H]1CCC[C@@H]1NCc1cc(F)ccc1F ZINC000123214231 324102046 /nfs/dbraw/zinc/10/20/46/324102046.db2.gz DGNDNGRGZWJSEB-HZMBPMFUSA-N 0 3 239.309 3.633 20 0 BHADHN CC[C@@H]1CCC[C@H]1NCc1cc(F)ccc1F ZINC000123214446 324101976 /nfs/dbraw/zinc/10/19/76/324101976.db2.gz DGNDNGRGZWJSEB-QMTHXVAHSA-N 0 3 239.309 3.633 20 0 BHADHN CC[C@H]1CCC[C@H]1NCc1cc(F)ccc1F ZINC000123214706 324102033 /nfs/dbraw/zinc/10/20/33/324102033.db2.gz DGNDNGRGZWJSEB-IINYFYTJSA-N 0 3 239.309 3.633 20 0 BHADHN Cc1ccc([C@H](C)NCc2cnccc2C)s1 ZINC000123245384 387669971 /nfs/dbraw/zinc/66/99/71/387669971.db2.gz GTSBHXUEGMWPPG-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cnccc2C)s1 ZINC000123245586 387670791 /nfs/dbraw/zinc/67/07/91/387670791.db2.gz GTSBHXUEGMWPPG-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN CC[C@H](NCc1cnccc1C)c1cccs1 ZINC000123246292 387670978 /nfs/dbraw/zinc/67/09/78/387670978.db2.gz RNCIJIKTSWXLBZ-ZDUSSCGKSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1cnccc1C)c1cccs1 ZINC000123246497 357219371 /nfs/dbraw/zinc/21/93/71/357219371.db2.gz RNCIJIKTSWXLBZ-CYBMUJFWSA-N 0 3 246.379 3.692 20 0 BHADHN C[C@@H](c1ccccc1F)N1CCC2(CCC2)C1 ZINC000123273880 176025333 /nfs/dbraw/zinc/02/53/33/176025333.db2.gz SLEOECDLQLSYSL-LBPRGKRZSA-N 0 3 233.330 3.763 20 0 BHADHN C[C@H](c1ccccc1F)N1CCC2(CCC2)C1 ZINC000123274087 177041588 /nfs/dbraw/zinc/04/15/88/177041588.db2.gz SLEOECDLQLSYSL-GFCCVEGCSA-N 0 3 233.330 3.763 20 0 BHADHN Cc1oc2ccccc2c1CN[C@@H]1CC1(C)C ZINC000123296450 387674198 /nfs/dbraw/zinc/67/41/98/387674198.db2.gz QUWICEXPUKNBEQ-CQSZACIVSA-N 0 3 229.323 3.629 20 0 BHADHN Cc1oc2ccccc2c1CN[C@H]1CC1(C)C ZINC000123296698 387674096 /nfs/dbraw/zinc/67/40/96/387674096.db2.gz QUWICEXPUKNBEQ-AWEZNQCLSA-N 0 3 229.323 3.629 20 0 BHADHN CC[C@@H](C)[C@@H](C)NCc1nc(C(C)C)cs1 ZINC000123447113 324565657 /nfs/dbraw/zinc/56/56/57/324565657.db2.gz YJHAZMWIAHMWTL-GHMZBOCLSA-N 0 3 240.416 3.791 20 0 BHADHN CC[C@H](C)[C@@H](C)NCc1nc(C(C)C)cs1 ZINC000123447385 324565595 /nfs/dbraw/zinc/56/55/95/324565595.db2.gz YJHAZMWIAHMWTL-WDEREUQCSA-N 0 3 240.416 3.791 20 0 BHADHN CC[C@@H](C)[C@H](C)NCc1nc(C(C)C)cs1 ZINC000123447593 324566627 /nfs/dbraw/zinc/56/66/27/324566627.db2.gz YJHAZMWIAHMWTL-MNOVXSKESA-N 0 3 240.416 3.791 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1nc(C(C)C)cs1 ZINC000123447883 388642037 /nfs/dbraw/zinc/64/20/37/388642037.db2.gz YJHAZMWIAHMWTL-QWRGUYRKSA-N 0 3 240.416 3.791 20 0 BHADHN CC[C@H](NCc1nc(C(C)C)cs1)C(C)C ZINC000123451604 324567893 /nfs/dbraw/zinc/56/78/93/324567893.db2.gz XVRHMCUXCKSIJE-NSHDSACASA-N 0 3 240.416 3.791 20 0 BHADHN CC[C@@H](NCc1nc(C(C)C)cs1)C(C)C ZINC000123451804 388642631 /nfs/dbraw/zinc/64/26/31/388642631.db2.gz XVRHMCUXCKSIJE-LLVKDONJSA-N 0 3 240.416 3.791 20 0 BHADHN CC(C)c1csc(CN[C@@H](C)C(C)(C)C)n1 ZINC000123453806 388643779 /nfs/dbraw/zinc/64/37/79/388643779.db2.gz DKYSKBXGTOMPAM-JTQLQIEISA-N 0 3 240.416 3.791 20 0 BHADHN CC(C)c1csc(CN[C@H](C)C(C)(C)C)n1 ZINC000123454027 324568927 /nfs/dbraw/zinc/56/89/27/324568927.db2.gz DKYSKBXGTOMPAM-SNVBAGLBSA-N 0 3 240.416 3.791 20 0 BHADHN CC(C)c1csc(CN[C@@H](C)C2(C)CC2)n1 ZINC000123454254 398338296 /nfs/dbraw/zinc/33/82/96/398338296.db2.gz SCEGIFZVIIHVNN-JTQLQIEISA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1csc(CN[C@H](C)C2(C)CC2)n1 ZINC000123454438 324567625 /nfs/dbraw/zinc/56/76/25/324567625.db2.gz SCEGIFZVIIHVNN-SNVBAGLBSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@H](NCc1nc(C(C)C)cs1)C1CC1 ZINC000123456413 324567211 /nfs/dbraw/zinc/56/72/11/324567211.db2.gz YHTBQXPDIHXKDW-NSHDSACASA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@@H](NCc1nc(C(C)C)cs1)C1CC1 ZINC000123456653 388642596 /nfs/dbraw/zinc/64/25/96/388642596.db2.gz YHTBQXPDIHXKDW-LLVKDONJSA-N 0 3 238.400 3.545 20 0 BHADHN CN(CCc1cccs1)Cc1cccc(F)c1 ZINC000123499394 342716354 /nfs/dbraw/zinc/71/63/54/342716354.db2.gz SHBSUMOAWMCJAU-UHFFFAOYSA-N 0 3 249.354 3.562 20 0 BHADHN CN(CCc1ccc(Cl)cc1)Cc1ccco1 ZINC000123623203 387588457 /nfs/dbraw/zinc/58/84/57/387588457.db2.gz LNOATWYDCGDOPY-UHFFFAOYSA-N 0 3 249.741 3.608 20 0 BHADHN c1coc(CN2CCC[C@H]2c2ccccc2)c1 ZINC000123661330 387590516 /nfs/dbraw/zinc/59/05/16/387590516.db2.gz SKOGLZVCSCOFOT-HNNXBMFYSA-N 0 3 227.307 3.617 20 0 BHADHN c1coc(CN2CCC[C@@H]2c2ccccc2)c1 ZINC000123661531 387590591 /nfs/dbraw/zinc/59/05/91/387590591.db2.gz SKOGLZVCSCOFOT-OAHLLOKOSA-N 0 3 227.307 3.617 20 0 BHADHN Cc1ccoc1CN1CCC[C@@H]1c1ccccc1 ZINC000123662590 387590206 /nfs/dbraw/zinc/59/02/06/387590206.db2.gz HZONBAQNTLZXAJ-OAHLLOKOSA-N 0 3 241.334 3.925 20 0 BHADHN Cc1ccoc1CN1CCC[C@H]1c1ccccc1 ZINC000123662796 387590194 /nfs/dbraw/zinc/59/01/94/387590194.db2.gz HZONBAQNTLZXAJ-HNNXBMFYSA-N 0 3 241.334 3.925 20 0 BHADHN c1cc(-c2ccccc2)oc1CN1CCCC1 ZINC000123931426 388659080 /nfs/dbraw/zinc/65/90/80/388659080.db2.gz SRZSJHMKBKVKLJ-UHFFFAOYSA-N 0 3 227.307 3.542 20 0 BHADHN CC(C)(C)CCNCc1ccn(C2CCCC2)n1 ZINC000123962726 388658689 /nfs/dbraw/zinc/65/86/89/388658689.db2.gz ZNWFPAFBHTYRBA-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN c1cc2c(o1)CCC[C@H]2NCCc1ccsc1 ZINC000124001781 183373116 /nfs/dbraw/zinc/37/31/16/183373116.db2.gz DQWPYWZUMUHFMH-CYBMUJFWSA-N 0 3 247.363 3.551 20 0 BHADHN c1cc2c(o1)CCC[C@@H]2NCCc1ccsc1 ZINC000124002052 183371393 /nfs/dbraw/zinc/37/13/93/183371393.db2.gz DQWPYWZUMUHFMH-ZDUSSCGKSA-N 0 3 247.363 3.551 20 0 BHADHN CC[C@H](NCC=C(C)C)c1ccc(OC)cc1 ZINC000124187925 171518620 /nfs/dbraw/zinc/51/86/20/171518620.db2.gz YLOAJZCPBMFVDG-HNNXBMFYSA-N 0 3 233.355 3.702 20 0 BHADHN CC[C@@H](NCC=C(C)C)c1ccc(OC)cc1 ZINC000124188156 387607650 /nfs/dbraw/zinc/60/76/50/387607650.db2.gz YLOAJZCPBMFVDG-OAHLLOKOSA-N 0 3 233.355 3.702 20 0 BHADHN C[C@@H]1CCCN1Cc1cc2cc(F)ccc2o1 ZINC000124292665 176108748 /nfs/dbraw/zinc/10/87/48/176108748.db2.gz JPGPOZDLPKCWBT-SNVBAGLBSA-N 0 3 233.286 3.556 20 0 BHADHN C[C@H]1CCCN1Cc1cc2cc(F)ccc2o1 ZINC000124292899 177110556 /nfs/dbraw/zinc/11/05/56/177110556.db2.gz JPGPOZDLPKCWBT-JTQLQIEISA-N 0 3 233.286 3.556 20 0 BHADHN Cc1cnc(CN[C@@H]2CCCC(C)(C)C2)s1 ZINC000124335752 324613506 /nfs/dbraw/zinc/61/35/06/324613506.db2.gz RHOAUGMPFDPLBR-LLVKDONJSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cnc(CN[C@H]2CCCC(C)(C)C2)s1 ZINC000124335948 388661867 /nfs/dbraw/zinc/66/18/67/388661867.db2.gz RHOAUGMPFDPLBR-NSHDSACASA-N 0 3 238.400 3.510 20 0 BHADHN CCC1(CNCc2ccc(F)cc2Cl)CC1 ZINC000124362785 324615455 /nfs/dbraw/zinc/61/54/55/324615455.db2.gz OWWHPFVGTIHDDC-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CC1(CNCc2ccc(F)cc2Cl)CCC1 ZINC000124363745 388662359 /nfs/dbraw/zinc/66/23/59/388662359.db2.gz LSAUCJRAHCVPHN-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN Cc1cnc([C@@H](C)NCC2CCCCC2)s1 ZINC000124386556 387615348 /nfs/dbraw/zinc/61/53/48/387615348.db2.gz OODKFLQDJGETMD-LLVKDONJSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1cnc([C@H](C)NCC2CCCCC2)s1 ZINC000124386785 387614659 /nfs/dbraw/zinc/61/46/59/387614659.db2.gz OODKFLQDJGETMD-NSHDSACASA-N 0 3 238.400 3.682 20 0 BHADHN CCSCCN[C@@H](C)c1ccccc1Cl ZINC000124487044 388663552 /nfs/dbraw/zinc/66/35/52/388663552.db2.gz RZRKHQRBLBKJNO-JTQLQIEISA-N 0 3 243.803 3.744 20 0 BHADHN CCSCCN[C@H](C)c1ccccc1Cl ZINC000124487281 388663500 /nfs/dbraw/zinc/66/35/00/388663500.db2.gz RZRKHQRBLBKJNO-SNVBAGLBSA-N 0 3 243.803 3.744 20 0 BHADHN C[C@@H](CN[C@@H](C)c1ccco1)c1ccc(F)cc1 ZINC000124645470 324621634 /nfs/dbraw/zinc/62/16/34/324621634.db2.gz JGDMUGTYUYQKJM-RYUDHWBXSA-N 0 3 247.313 3.873 20 0 BHADHN C[C@H](NC[C@@H](C)c1ccc(F)cc1)c1ccco1 ZINC000124645679 388664598 /nfs/dbraw/zinc/66/45/98/388664598.db2.gz JGDMUGTYUYQKJM-NEPJUHHUSA-N 0 3 247.313 3.873 20 0 BHADHN C[C@@H](NC[C@H](C)c1ccc(F)cc1)c1ccco1 ZINC000124645863 388664875 /nfs/dbraw/zinc/66/48/75/388664875.db2.gz JGDMUGTYUYQKJM-NWDGAFQWSA-N 0 3 247.313 3.873 20 0 BHADHN C[C@@H](NC[C@@H](C)c1ccc(F)cc1)c1ccco1 ZINC000124646006 388664482 /nfs/dbraw/zinc/66/44/82/388664482.db2.gz JGDMUGTYUYQKJM-VXGBXAGGSA-N 0 3 247.313 3.873 20 0 BHADHN CC(C)(NCc1ccsc1)c1cccc(F)c1 ZINC000124683396 191077839 /nfs/dbraw/zinc/07/78/39/191077839.db2.gz QKURWSUENKCKOF-UHFFFAOYSA-N 0 3 249.354 3.912 20 0 BHADHN c1cncc(CN(CCC2CCCC2)C2CC2)c1 ZINC000124745115 387631796 /nfs/dbraw/zinc/63/17/96/387631796.db2.gz QRFDNHKSOKXXCC-UHFFFAOYSA-N 0 3 244.382 3.626 20 0 BHADHN C[C@H](NCCCC1CC1)c1ccccc1F ZINC000124852144 324626445 /nfs/dbraw/zinc/62/64/45/324626445.db2.gz OUBHYDDSKCSTRE-NSHDSACASA-N 0 3 221.319 3.667 20 0 BHADHN C[C@@H](NCCCC1CC1)c1ccccc1F ZINC000124852339 388665962 /nfs/dbraw/zinc/66/59/62/388665962.db2.gz OUBHYDDSKCSTRE-LLVKDONJSA-N 0 3 221.319 3.667 20 0 BHADHN CSC[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000124888344 323105914 /nfs/dbraw/zinc/10/59/14/323105914.db2.gz MSJFDEVRLRHJQC-UWVGGRQHSA-N 0 3 243.803 3.742 20 0 BHADHN CSC[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000124888551 388666627 /nfs/dbraw/zinc/66/66/27/388666627.db2.gz MSJFDEVRLRHJQC-ZJUUUORDSA-N 0 3 243.803 3.742 20 0 BHADHN CSC[C@H](C)N[C@H](C)c1ccccc1Cl ZINC000124888811 388666612 /nfs/dbraw/zinc/66/66/12/388666612.db2.gz MSJFDEVRLRHJQC-VHSXEESVSA-N 0 3 243.803 3.742 20 0 BHADHN CSC[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC000124889075 388667289 /nfs/dbraw/zinc/66/72/89/388667289.db2.gz MSJFDEVRLRHJQC-NXEZZACHSA-N 0 3 243.803 3.742 20 0 BHADHN c1cc(CN(CCC2CCCC2)C2CC2)ccn1 ZINC000124901809 183338662 /nfs/dbraw/zinc/33/86/62/183338662.db2.gz ONCALNKESFDVFT-UHFFFAOYSA-N 0 3 244.382 3.626 20 0 BHADHN CSCC[C@H](C)N[C@@H](C)c1ccccc1F ZINC000124902783 590097981 /nfs/dbraw/zinc/09/79/81/590097981.db2.gz XEKOSCKMQLDKFP-QWRGUYRKSA-N 0 3 241.375 3.618 20 0 BHADHN CSCC[C@@H](C)N[C@@H](C)c1ccccc1F ZINC000124903013 590097634 /nfs/dbraw/zinc/09/76/34/590097634.db2.gz XEKOSCKMQLDKFP-MNOVXSKESA-N 0 3 241.375 3.618 20 0 BHADHN CSCC[C@H](C)N[C@H](C)c1ccccc1F ZINC000124903229 590098197 /nfs/dbraw/zinc/09/81/97/590098197.db2.gz XEKOSCKMQLDKFP-WDEREUQCSA-N 0 3 241.375 3.618 20 0 BHADHN CSCC[C@@H](C)N[C@H](C)c1ccccc1F ZINC000124903426 590098407 /nfs/dbraw/zinc/09/84/07/590098407.db2.gz XEKOSCKMQLDKFP-GHMZBOCLSA-N 0 3 241.375 3.618 20 0 BHADHN CSCCCCNCc1ccccc1Cl ZINC000124930575 388666799 /nfs/dbraw/zinc/66/67/99/388666799.db2.gz KSIBOUVOZWCOGC-UHFFFAOYSA-N 0 3 243.803 3.573 20 0 BHADHN Clc1ccccc1CNCCCC1CC1 ZINC000124953769 388667004 /nfs/dbraw/zinc/66/70/04/388667004.db2.gz SMOBPKJEXAEBPZ-UHFFFAOYSA-N 0 3 223.747 3.620 20 0 BHADHN Fc1cccc(Cl)c1CNCCCC1CC1 ZINC000124957711 371262060 /nfs/dbraw/zinc/26/20/60/371262060.db2.gz MWUYMCVSQVISET-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CC1(C)CC[C@H](NCc2cc(F)ccc2F)C1 ZINC000125013813 388668498 /nfs/dbraw/zinc/66/84/98/388668498.db2.gz QYZNNSJORDMVGP-LBPRGKRZSA-N 0 3 239.309 3.633 20 0 BHADHN CC1(C)CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000125014003 324630117 /nfs/dbraw/zinc/63/01/17/324630117.db2.gz QYZNNSJORDMVGP-GFCCVEGCSA-N 0 3 239.309 3.633 20 0 BHADHN CSCC[C@H](C)NCc1ccccc1Cl ZINC000125026015 590114731 /nfs/dbraw/zinc/11/47/31/590114731.db2.gz AIKHYPLZAFOSGJ-JTQLQIEISA-N 0 3 243.803 3.571 20 0 BHADHN CSCC[C@@H](C)NCc1ccccc1Cl ZINC000125026251 590114542 /nfs/dbraw/zinc/11/45/42/590114542.db2.gz AIKHYPLZAFOSGJ-SNVBAGLBSA-N 0 3 243.803 3.571 20 0 BHADHN Cc1cc(NC2CC=CC2)c2ccccc2n1 ZINC000125043974 178154980 /nfs/dbraw/zinc/15/49/80/178154980.db2.gz KPGHLCIJRZHTNK-UHFFFAOYSA-N 0 3 224.307 3.674 20 0 BHADHN C[C@H](N[C@@H](C)C1CCC1)c1cc(F)ccc1F ZINC000125076972 490412782 /nfs/dbraw/zinc/41/27/82/490412782.db2.gz HXUGEJWPXRSJKJ-UWVGGRQHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)C1CCC1)c1cc(F)ccc1F ZINC000125077137 490412775 /nfs/dbraw/zinc/41/27/75/490412775.db2.gz HXUGEJWPXRSJKJ-VHSXEESVSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)C1CCC1 ZINC000125077330 490412817 /nfs/dbraw/zinc/41/28/17/490412817.db2.gz HXUGEJWPXRSJKJ-ZJUUUORDSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H](C)C1CCC1)c1cc(F)ccc1F ZINC000125077473 490412754 /nfs/dbraw/zinc/41/27/54/490412754.db2.gz HXUGEJWPXRSJKJ-NXEZZACHSA-N 0 3 239.309 3.804 20 0 BHADHN CCC(CC)CNCc1ccn(C2CCCC2)n1 ZINC000125111310 388668325 /nfs/dbraw/zinc/66/83/25/388668325.db2.gz BQNPFMZSBSNBAE-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN CCCCCNCc1csc(C(C)(C)C)n1 ZINC000125123568 386756938 /nfs/dbraw/zinc/75/69/38/386756938.db2.gz FWCYPSMMCXKEHL-UHFFFAOYSA-N 0 3 240.416 3.720 20 0 BHADHN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCc1ccco1 ZINC000125191618 343618572 /nfs/dbraw/zinc/61/85/72/343618572.db2.gz UHFKBQIAAAVJHG-MAZHCROVSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@@H]1[C@@H](NCc2ccco2)C[C@@H]1c1ccccc1 ZINC000125192058 343618707 /nfs/dbraw/zinc/61/87/07/343618707.db2.gz UHFKBQIAAAVJHG-RCBQFDQVSA-N 0 3 241.334 3.561 20 0 BHADHN Cc1cnc([C@@H](C)NC2CCCCCC2)s1 ZINC000125251564 324636878 /nfs/dbraw/zinc/63/68/78/324636878.db2.gz RKYXLNPKUBXBAU-LLVKDONJSA-N 0 3 238.400 3.825 20 0 BHADHN Cc1cnc([C@H](C)NC2CCCCCC2)s1 ZINC000125251792 388670789 /nfs/dbraw/zinc/67/07/89/388670789.db2.gz RKYXLNPKUBXBAU-NSHDSACASA-N 0 3 238.400 3.825 20 0 BHADHN Cc1cnc([C@@H](C)NC2CCC(C)CC2)s1 ZINC000125258802 324636914 /nfs/dbraw/zinc/63/69/14/324636914.db2.gz XNNVKAVJXUCVJB-CKBZRRDASA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@H](C)NC2CCC(C)CC2)s1 ZINC000125259011 388670771 /nfs/dbraw/zinc/67/07/71/388670771.db2.gz XNNVKAVJXUCVJB-ZYXZCXLHSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@@H](C)N[C@@H](C)CC(C)C)s1 ZINC000125259740 386238912 /nfs/dbraw/zinc/23/89/12/386238912.db2.gz NFQNKJMPSPFTGQ-GXSJLCMTSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H](C)CC(C)C)s1 ZINC000125259986 386238692 /nfs/dbraw/zinc/23/86/92/386238692.db2.gz NFQNKJMPSPFTGQ-ONGXEEELSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1cnc([C@@H](C)N[C@H](C)CC(C)C)s1 ZINC000125260141 386238706 /nfs/dbraw/zinc/23/87/06/386238706.db2.gz NFQNKJMPSPFTGQ-MWLCHTKSSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1cnc([C@H](C)N[C@H](C)CC(C)C)s1 ZINC000125260384 386238862 /nfs/dbraw/zinc/23/88/62/386238862.db2.gz NFQNKJMPSPFTGQ-KOLCDFICSA-N 0 3 226.389 3.537 20 0 BHADHN CCCC[C@@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000125261509 386238647 /nfs/dbraw/zinc/23/86/47/386238647.db2.gz YSBICTOJVHHJOY-KOLCDFICSA-N 0 3 226.389 3.681 20 0 BHADHN CCCC[C@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000125261787 350731849 /nfs/dbraw/zinc/73/18/49/350731849.db2.gz YSBICTOJVHHJOY-ONGXEEELSA-N 0 3 226.389 3.681 20 0 BHADHN CCCC[C@@H](C)N[C@H](C)c1ncc(C)s1 ZINC000125262006 350732190 /nfs/dbraw/zinc/73/21/90/350732190.db2.gz YSBICTOJVHHJOY-MWLCHTKSSA-N 0 3 226.389 3.681 20 0 BHADHN CCCC[C@H](C)N[C@H](C)c1ncc(C)s1 ZINC000125262219 350731802 /nfs/dbraw/zinc/73/18/02/350731802.db2.gz YSBICTOJVHHJOY-GXSJLCMTSA-N 0 3 226.389 3.681 20 0 BHADHN Cc1cnc([C@@H](C)N[C@@H](C)CCC(C)C)s1 ZINC000125264709 388670441 /nfs/dbraw/zinc/67/04/41/388670441.db2.gz GQKCQMMBPQMJCT-CMPLNLGQSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H](C)CCC(C)C)s1 ZINC000125264947 388670794 /nfs/dbraw/zinc/67/07/94/388670794.db2.gz GQKCQMMBPQMJCT-JQWIXIFHSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1cnc([C@@H](C)N[C@H](C)CCC(C)C)s1 ZINC000125265138 324636640 /nfs/dbraw/zinc/63/66/40/324636640.db2.gz GQKCQMMBPQMJCT-ZYHUDNBSSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1cnc([C@H](C)N[C@H](C)CCC(C)C)s1 ZINC000125265330 388671183 /nfs/dbraw/zinc/67/11/83/388671183.db2.gz GQKCQMMBPQMJCT-PWSUYJOCSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1cc(C)nc(NCc2ccc(Cl)o2)c1 ZINC000125265709 387648922 /nfs/dbraw/zinc/64/89/22/387648922.db2.gz HCNVAVYTHLIVQM-UHFFFAOYSA-N 0 3 236.702 3.557 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H](C)C2)s1 ZINC000125270825 323000926 /nfs/dbraw/zinc/00/09/26/323000926.db2.gz BXUMCCKEISRASF-ZMLRMANQSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@H](C)N[C@H]2CCC[C@H](C)C2)s1 ZINC000125271265 388670780 /nfs/dbraw/zinc/67/07/80/388670780.db2.gz BXUMCCKEISRASF-DLOVCJGASA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@@H](C)N[C@@H](C)C2CCCC2)s1 ZINC000125274146 324636529 /nfs/dbraw/zinc/63/65/29/324636529.db2.gz XCSRWCDUYSLTGY-WDEREUQCSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H](C)C2CCCC2)s1 ZINC000125274358 324636477 /nfs/dbraw/zinc/63/64/77/324636477.db2.gz XCSRWCDUYSLTGY-QWRGUYRKSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@@H](C)N[C@H](C)C2CCCC2)s1 ZINC000125274568 324636329 /nfs/dbraw/zinc/63/63/29/324636329.db2.gz XCSRWCDUYSLTGY-GHMZBOCLSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@H](C)N[C@H](C)C2CCCC2)s1 ZINC000125274780 323393056 /nfs/dbraw/zinc/39/30/56/323393056.db2.gz XCSRWCDUYSLTGY-MNOVXSKESA-N 0 3 238.400 3.681 20 0 BHADHN c1coc(CN2CCC(c3ccccc3)CC2)c1 ZINC000125411544 183390194 /nfs/dbraw/zinc/39/01/94/183390194.db2.gz HOFIUZCLCHHMPS-UHFFFAOYSA-N 0 3 241.334 3.659 20 0 BHADHN CCC(CC)CN[C@@H](C)c1ncc(C)s1 ZINC000125430463 168363296 /nfs/dbraw/zinc/36/32/96/168363296.db2.gz QWYWTDUNHGWSBZ-JTQLQIEISA-N 0 3 226.389 3.538 20 0 BHADHN CCC(CC)CN[C@H](C)c1ncc(C)s1 ZINC000125430641 168365051 /nfs/dbraw/zinc/36/50/51/168365051.db2.gz QWYWTDUNHGWSBZ-SNVBAGLBSA-N 0 3 226.389 3.538 20 0 BHADHN CCC[C@@H](C)CN[C@@H](C)c1ncc(C)s1 ZINC000125431837 169359841 /nfs/dbraw/zinc/35/98/41/169359841.db2.gz FLQQRUHXQPNGFF-KOLCDFICSA-N 0 3 226.389 3.538 20 0 BHADHN CCC[C@H](C)CN[C@@H](C)c1ncc(C)s1 ZINC000125432090 398152582 /nfs/dbraw/zinc/15/25/82/398152582.db2.gz FLQQRUHXQPNGFF-ONGXEEELSA-N 0 3 226.389 3.538 20 0 BHADHN CCC[C@@H](C)CN[C@H](C)c1ncc(C)s1 ZINC000125432331 169360786 /nfs/dbraw/zinc/36/07/86/169360786.db2.gz FLQQRUHXQPNGFF-MWLCHTKSSA-N 0 3 226.389 3.538 20 0 BHADHN CCC[C@H](C)CN[C@H](C)c1ncc(C)s1 ZINC000125432630 398152482 /nfs/dbraw/zinc/15/24/82/398152482.db2.gz FLQQRUHXQPNGFF-GXSJLCMTSA-N 0 3 226.389 3.538 20 0 BHADHN CCC[C@@H](CC)N[C@@H](C)c1nc(C)cs1 ZINC000125442293 169379857 /nfs/dbraw/zinc/37/98/57/169379857.db2.gz WXPXYUUADYLQCF-WDEREUQCSA-N 0 3 226.389 3.681 20 0 BHADHN CCC[C@H](CC)N[C@@H](C)c1nc(C)cs1 ZINC000125442489 386255650 /nfs/dbraw/zinc/25/56/50/386255650.db2.gz WXPXYUUADYLQCF-QWRGUYRKSA-N 0 3 226.389 3.681 20 0 BHADHN CCC[C@@H](CC)N[C@H](C)c1nc(C)cs1 ZINC000125442695 169380267 /nfs/dbraw/zinc/38/02/67/169380267.db2.gz WXPXYUUADYLQCF-GHMZBOCLSA-N 0 3 226.389 3.681 20 0 BHADHN CCC[C@H](CC)N[C@H](C)c1nc(C)cs1 ZINC000125442895 350734841 /nfs/dbraw/zinc/73/48/41/350734841.db2.gz WXPXYUUADYLQCF-MNOVXSKESA-N 0 3 226.389 3.681 20 0 BHADHN CCC(CC)CN(CC)Cc1cnc(C)s1 ZINC000125713807 168350491 /nfs/dbraw/zinc/35/04/91/168350491.db2.gz UVFBGYMIHTXJIT-UHFFFAOYSA-N 0 3 240.416 3.710 20 0 BHADHN CCC(CC)CN(C)Cc1ccc(Cl)nc1 ZINC000125765436 590188479 /nfs/dbraw/zinc/18/84/79/590188479.db2.gz FWHSTRHNSPJVAF-UHFFFAOYSA-N 0 3 240.778 3.603 20 0 BHADHN Clc1ccc(CNCC2(C3CC3)CCC2)o1 ZINC000125796845 398095967 /nfs/dbraw/zinc/09/59/67/398095967.db2.gz ZAFODSUIKAXALO-UHFFFAOYSA-N 0 3 239.746 3.603 20 0 BHADHN Clc1ccccc1CNCC1(C2CC2)CC1 ZINC000125852315 387666756 /nfs/dbraw/zinc/66/67/56/387666756.db2.gz VAACGJZEUJOMBA-UHFFFAOYSA-N 0 3 235.758 3.620 20 0 BHADHN C[C@H](N[C@@H](C)C1CCC1)c1c(F)cccc1F ZINC000125904184 388681317 /nfs/dbraw/zinc/68/13/17/388681317.db2.gz ANXTUBCALKJCMR-UWVGGRQHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)C1CCC1)c1c(F)cccc1F ZINC000125904373 323045704 /nfs/dbraw/zinc/04/57/04/323045704.db2.gz ANXTUBCALKJCMR-VHSXEESVSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)c1c(F)cccc1F)C1CCC1 ZINC000125904601 388681035 /nfs/dbraw/zinc/68/10/35/388681035.db2.gz ANXTUBCALKJCMR-ZJUUUORDSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H](C)C1CCC1)c1c(F)cccc1F ZINC000125904865 324663840 /nfs/dbraw/zinc/66/38/40/324663840.db2.gz ANXTUBCALKJCMR-NXEZZACHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](c1ccccc1Cl)N(C)CC1CC1 ZINC000125959342 388684167 /nfs/dbraw/zinc/68/41/67/388684167.db2.gz OYTOMZJAONKKPG-JTQLQIEISA-N 0 3 223.747 3.743 20 0 BHADHN C[C@H](c1ccccc1Cl)N(C)CC1CC1 ZINC000125959607 323002339 /nfs/dbraw/zinc/00/23/39/323002339.db2.gz OYTOMZJAONKKPG-SNVBAGLBSA-N 0 3 223.747 3.743 20 0 BHADHN CCC1(CNCc2cc(Cl)ccc2F)CC1 ZINC000125971729 388684448 /nfs/dbraw/zinc/68/44/48/388684448.db2.gz VWOVBLOBDPVHNB-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CC1(CNCc2cc(Cl)ccc2F)CCC1 ZINC000125972026 324670839 /nfs/dbraw/zinc/67/08/39/324670839.db2.gz KSJIWVRIPZRGLN-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CC(C)(CNCc1ccco1)C1CCCC1 ZINC000125978382 323002341 /nfs/dbraw/zinc/00/23/41/323002341.db2.gz IFEFIXJAGMOSIK-UHFFFAOYSA-N 0 3 221.344 3.586 20 0 BHADHN Clc1ccccc1CNCCC1=CCCC1 ZINC000125988852 323002530 /nfs/dbraw/zinc/00/25/30/323002530.db2.gz BZPYJOKTQZYUHL-UHFFFAOYSA-N 0 3 235.758 3.930 20 0 BHADHN Clc1ccc(CNCCC2=CCCC2)o1 ZINC000125989162 384724101 /nfs/dbraw/zinc/72/41/01/384724101.db2.gz CPYLXPXIYXTUQT-UHFFFAOYSA-N 0 3 225.719 3.523 20 0 BHADHN Cc1cnc([C@@H](C)N[C@@H]2CCC(C)(C)C2)s1 ZINC000126010363 387671358 /nfs/dbraw/zinc/67/13/58/387671358.db2.gz AXPXBXVRJWEKGF-GHMZBOCLSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H]2CCC(C)(C)C2)s1 ZINC000126010607 387671647 /nfs/dbraw/zinc/67/16/47/387671647.db2.gz AXPXBXVRJWEKGF-WDEREUQCSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@@H](C)N[C@H]2CCC(C)(C)C2)s1 ZINC000126010832 387671220 /nfs/dbraw/zinc/67/12/20/387671220.db2.gz AXPXBXVRJWEKGF-MNOVXSKESA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@H](C)N[C@H]2CCC(C)(C)C2)s1 ZINC000126011078 387671766 /nfs/dbraw/zinc/67/17/66/387671766.db2.gz AXPXBXVRJWEKGF-QWRGUYRKSA-N 0 3 238.400 3.681 20 0 BHADHN CCCCCCN[C@@H](C)c1ncc(C)s1 ZINC000126012727 590214405 /nfs/dbraw/zinc/21/44/05/590214405.db2.gz YFTWYTODZKYNNW-NSHDSACASA-N 0 3 226.389 3.682 20 0 BHADHN CCCCCCN[C@H](C)c1ncc(C)s1 ZINC000126012968 590215032 /nfs/dbraw/zinc/21/50/32/590215032.db2.gz YFTWYTODZKYNNW-LLVKDONJSA-N 0 3 226.389 3.682 20 0 BHADHN Cc1cnc([C@@H](C)NCCC(C)(C)C)s1 ZINC000126015963 384728471 /nfs/dbraw/zinc/72/84/71/384728471.db2.gz DVKPLFLSYYHALH-SNVBAGLBSA-N 0 3 226.389 3.538 20 0 BHADHN Cc1cnc([C@H](C)NCCC(C)(C)C)s1 ZINC000126016193 384725856 /nfs/dbraw/zinc/72/58/56/384725856.db2.gz DVKPLFLSYYHALH-JTQLQIEISA-N 0 3 226.389 3.538 20 0 BHADHN C[C@H](NCC(C)(C)c1cccs1)c1ccoc1 ZINC000126088712 388688262 /nfs/dbraw/zinc/68/82/62/388688262.db2.gz KVUMVCBSFKRBPZ-NSHDSACASA-N 0 3 249.379 3.970 20 0 BHADHN C[C@@H](NCC(C)(C)c1cccs1)c1ccoc1 ZINC000126088939 388688110 /nfs/dbraw/zinc/68/81/10/388688110.db2.gz KVUMVCBSFKRBPZ-LLVKDONJSA-N 0 3 249.379 3.970 20 0 BHADHN C[C@H](NCC(C)(C)c1cccs1)c1ccco1 ZINC000126095443 388688236 /nfs/dbraw/zinc/68/82/36/388688236.db2.gz AERDCQPKCHSQAG-NSHDSACASA-N 0 3 249.379 3.970 20 0 BHADHN C[C@@H](NCC(C)(C)c1cccs1)c1ccco1 ZINC000126095687 388688968 /nfs/dbraw/zinc/68/89/68/388688968.db2.gz AERDCQPKCHSQAG-LLVKDONJSA-N 0 3 249.379 3.970 20 0 BHADHN Cc1cnc([C@@H](C)NCCCC(C)C)s1 ZINC000126115030 344169188 /nfs/dbraw/zinc/16/91/88/344169188.db2.gz GJNIRAUXCZOOQD-LLVKDONJSA-N 0 3 226.389 3.538 20 0 BHADHN Cc1cnc([C@H](C)NCCCC(C)C)s1 ZINC000126115260 384738788 /nfs/dbraw/zinc/73/87/88/384738788.db2.gz GJNIRAUXCZOOQD-NSHDSACASA-N 0 3 226.389 3.538 20 0 BHADHN CCCCC[C@@H](C)NCc1ccc(Cl)cn1 ZINC000126132260 590235804 /nfs/dbraw/zinc/23/58/04/590235804.db2.gz NHOAFDAOMUEIEF-LLVKDONJSA-N 0 3 240.778 3.793 20 0 BHADHN CCCCC[C@H](C)NCc1ccc(Cl)cn1 ZINC000126132510 590236049 /nfs/dbraw/zinc/23/60/49/590236049.db2.gz NHOAFDAOMUEIEF-NSHDSACASA-N 0 3 240.778 3.793 20 0 BHADHN CC(C)CC[C@@H](C)NCc1ccc(Cl)cn1 ZINC000126137158 590237417 /nfs/dbraw/zinc/23/74/17/590237417.db2.gz FJLPRGJUURPSPD-LLVKDONJSA-N 0 3 240.778 3.649 20 0 BHADHN CC(C)CC[C@H](C)NCc1ccc(Cl)cn1 ZINC000126137395 590237074 /nfs/dbraw/zinc/23/70/74/590237074.db2.gz FJLPRGJUURPSPD-NSHDSACASA-N 0 3 240.778 3.649 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1nc(C)cs1 ZINC000126215267 384745231 /nfs/dbraw/zinc/74/52/31/384745231.db2.gz YNWFSSSMTUHTBY-NSHDSACASA-N 0 3 238.400 3.676 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1nc(C)cs1 ZINC000126215492 187284800 /nfs/dbraw/zinc/28/48/00/187284800.db2.gz YNWFSSSMTUHTBY-LLVKDONJSA-N 0 3 238.400 3.676 20 0 BHADHN CCC[C@@H](C)[C@@H](CC)NCc1nc(C)cs1 ZINC000126253448 322959986 /nfs/dbraw/zinc/95/99/86/322959986.db2.gz WBPVJWDTXWWJBD-ZYHUDNBSSA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@H](C)[C@@H](CC)NCc1nc(C)cs1 ZINC000126253670 324689729 /nfs/dbraw/zinc/68/97/29/324689729.db2.gz WBPVJWDTXWWJBD-CMPLNLGQSA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@@H](C)[C@H](CC)NCc1nc(C)cs1 ZINC000126253870 388692394 /nfs/dbraw/zinc/69/23/94/388692394.db2.gz WBPVJWDTXWWJBD-PWSUYJOCSA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@H](C)[C@H](CC)NCc1nc(C)cs1 ZINC000126254123 324690166 /nfs/dbraw/zinc/69/01/66/324690166.db2.gz WBPVJWDTXWWJBD-JQWIXIFHSA-N 0 3 240.416 3.756 20 0 BHADHN Fc1ccc(CN[C@H]2C=CCCC2)cc1Cl ZINC000126288993 388693779 /nfs/dbraw/zinc/69/37/79/388693779.db2.gz NKYLOOCGSLYIGJ-NSHDSACASA-N 0 3 239.721 3.677 20 0 BHADHN Fc1ccc(CN[C@@H]2C=CCCC2)cc1Cl ZINC000126289204 388693652 /nfs/dbraw/zinc/69/36/52/388693652.db2.gz NKYLOOCGSLYIGJ-LLVKDONJSA-N 0 3 239.721 3.677 20 0 BHADHN CCN(C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000126324711 343510319 /nfs/dbraw/zinc/51/03/19/343510319.db2.gz HLVWISWDVXKZAX-UHFFFAOYSA-N 0 3 246.379 3.570 20 0 BHADHN CCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C(C)C ZINC000126371081 388694520 /nfs/dbraw/zinc/69/45/20/388694520.db2.gz KBTFPAGFLPPCAK-WCQYABFASA-N 0 3 221.344 3.633 20 0 BHADHN CCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C(C)C ZINC000126371316 323003446 /nfs/dbraw/zinc/00/34/46/323003446.db2.gz KBTFPAGFLPPCAK-AAEUAGOBSA-N 0 3 221.344 3.633 20 0 BHADHN CCN(Cc1cnc(C(C)(C)C)s1)C(C)C ZINC000126379815 388695481 /nfs/dbraw/zinc/69/54/81/388695481.db2.gz UZQLQUAOVVCFCK-UHFFFAOYSA-N 0 3 240.416 3.671 20 0 BHADHN CCN(Cc1cnc(C2CCC2)s1)C(C)C ZINC000126388793 323003451 /nfs/dbraw/zinc/00/34/51/323003451.db2.gz UQLHWNOZNAHQNP-UHFFFAOYSA-N 0 3 238.400 3.641 20 0 BHADHN CCN(Cc1cnc(CC(C)C)s1)C(C)C ZINC000126395991 388695576 /nfs/dbraw/zinc/69/55/76/388695576.db2.gz PBSPCXBDWQIFOY-UHFFFAOYSA-N 0 3 240.416 3.572 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1csc(C)n1 ZINC000126562357 384784124 /nfs/dbraw/zinc/78/41/24/384784124.db2.gz XMIQTYFDHCPXNM-NSHDSACASA-N 0 3 238.400 3.676 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1csc(C)n1 ZINC000126562581 384782976 /nfs/dbraw/zinc/78/29/76/384782976.db2.gz XMIQTYFDHCPXNM-LLVKDONJSA-N 0 3 238.400 3.676 20 0 BHADHN CCC[C@@H]1[C@H](C)CCCN1Cc1cscn1 ZINC000126579151 387688655 /nfs/dbraw/zinc/68/86/55/387688655.db2.gz DJFBSKICFUGQNC-DGCLKSJQSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@H]1[C@H](C)CCCN1Cc1cscn1 ZINC000126579379 387689748 /nfs/dbraw/zinc/68/97/48/387689748.db2.gz DJFBSKICFUGQNC-YPMHNXCESA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1cscn1 ZINC000126579593 387688232 /nfs/dbraw/zinc/68/82/32/387688232.db2.gz DJFBSKICFUGQNC-WCQYABFASA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@H]1[C@@H](C)CCCN1Cc1cscn1 ZINC000126579835 387689005 /nfs/dbraw/zinc/68/90/05/387689005.db2.gz DJFBSKICFUGQNC-AAEUAGOBSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@@H](C)[C@@H](CC)NCc1csc(C)n1 ZINC000126597532 490507432 /nfs/dbraw/zinc/50/74/32/490507432.db2.gz LJWWWICGLROJHK-ZWNOBZJWSA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@H](C)[C@@H](CC)NCc1csc(C)n1 ZINC000126597776 490507454 /nfs/dbraw/zinc/50/74/54/490507454.db2.gz LJWWWICGLROJHK-GXFFZTMASA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@@H](C)[C@H](CC)NCc1csc(C)n1 ZINC000126598009 490507399 /nfs/dbraw/zinc/50/73/99/490507399.db2.gz LJWWWICGLROJHK-MFKMUULPSA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@H](C)[C@H](CC)NCc1csc(C)n1 ZINC000126598239 490507545 /nfs/dbraw/zinc/50/75/45/490507545.db2.gz LJWWWICGLROJHK-GWCFXTLKSA-N 0 3 240.416 3.756 20 0 BHADHN Cc1ccoc1CNCCC1=CCCCC1 ZINC000126600915 324705693 /nfs/dbraw/zinc/70/56/93/324705693.db2.gz WIMDRSOEBPRYPE-UHFFFAOYSA-N 0 3 219.328 3.568 20 0 BHADHN Cc1ccoc1CN[C@@H](C)CCCC(C)C ZINC000126610435 388698255 /nfs/dbraw/zinc/69/82/55/388698255.db2.gz OSVGFGFPAJXCSQ-ZDUSSCGKSA-N 0 3 223.360 3.892 20 0 BHADHN Cc1ccoc1CN[C@H](C)CCCC(C)C ZINC000126610642 323003973 /nfs/dbraw/zinc/00/39/73/323003973.db2.gz OSVGFGFPAJXCSQ-CYBMUJFWSA-N 0 3 223.360 3.892 20 0 BHADHN CCCCC[C@@H](C)NCc1occc1C ZINC000126613977 590375026 /nfs/dbraw/zinc/37/50/26/590375026.db2.gz STCIZUVAKWULEL-GFCCVEGCSA-N 0 3 209.333 3.646 20 0 BHADHN CCCCC[C@H](C)NCc1occc1C ZINC000126614206 590374962 /nfs/dbraw/zinc/37/49/62/590374962.db2.gz STCIZUVAKWULEL-LBPRGKRZSA-N 0 3 209.333 3.646 20 0 BHADHN Cc1ccoc1CN[C@@H](C)CCC(C)C ZINC000126614457 384792608 /nfs/dbraw/zinc/79/26/08/384792608.db2.gz VODVHCINJDXXKL-LBPRGKRZSA-N 0 3 209.333 3.502 20 0 BHADHN Cc1ccoc1CN[C@H](C)CCC(C)C ZINC000126614699 384794418 /nfs/dbraw/zinc/79/44/18/384794418.db2.gz VODVHCINJDXXKL-GFCCVEGCSA-N 0 3 209.333 3.502 20 0 BHADHN Cc1ccoc1CNCCC1CCCCC1 ZINC000126648503 388699512 /nfs/dbraw/zinc/69/95/12/388699512.db2.gz AWZYPNZFWQVXKW-UHFFFAOYSA-N 0 3 221.344 3.648 20 0 BHADHN CCC1CCC(NCc2occc2C)CC1 ZINC000126689336 387692046 /nfs/dbraw/zinc/69/20/46/387692046.db2.gz OHGUNHSFNUMPJU-UHFFFAOYSA-N 0 3 221.344 3.646 20 0 BHADHN CC1(C)CCC(CNCc2ccco2)CC1 ZINC000126737781 387695996 /nfs/dbraw/zinc/69/59/96/387695996.db2.gz AOCYNPGJCQBRQC-UHFFFAOYSA-N 0 3 221.344 3.586 20 0 BHADHN Cc1c2ccccc2oc1[C@@H](C)NCCCF ZINC000126861630 388706597 /nfs/dbraw/zinc/70/65/97/388706597.db2.gz ORYIUYYHGRLEGJ-LLVKDONJSA-N 0 3 235.302 3.751 20 0 BHADHN Cc1c2ccccc2oc1[C@H](C)NCCCF ZINC000126861895 324726009 /nfs/dbraw/zinc/72/60/09/324726009.db2.gz ORYIUYYHGRLEGJ-NSHDSACASA-N 0 3 235.302 3.751 20 0 BHADHN C[C@H]1C[C@H](NCCCF)c2ccsc2S1 ZINC000126871113 343716320 /nfs/dbraw/zinc/71/63/20/343716320.db2.gz LOGRBSYHRMPSNA-WPRPVWTQSA-N 0 3 245.388 3.623 20 0 BHADHN C[C@H]1C[C@@H](NCCCF)c2ccsc2S1 ZINC000126871320 343716311 /nfs/dbraw/zinc/71/63/11/343716311.db2.gz LOGRBSYHRMPSNA-WCBMZHEXSA-N 0 3 245.388 3.623 20 0 BHADHN Clc1cc2c(c(Cl)c1)[C@@H](NC1CC1)CC2 ZINC000126887147 322960321 /nfs/dbraw/zinc/96/03/21/322960321.db2.gz WHUCFIBPCKLFKZ-NSHDSACASA-N 0 3 242.149 3.733 20 0 BHADHN Clc1cc2c(c(Cl)c1)[C@H](NC1CC1)CC2 ZINC000126887396 388708379 /nfs/dbraw/zinc/70/83/79/388708379.db2.gz WHUCFIBPCKLFKZ-LLVKDONJSA-N 0 3 242.149 3.733 20 0 BHADHN Fc1ccc2c(c1)CC[C@H]2NCc1cccs1 ZINC000126905751 590493669 /nfs/dbraw/zinc/49/36/69/590493669.db2.gz PMKBBGFRPXMHMR-CQSZACIVSA-N 0 3 247.338 3.664 20 0 BHADHN Fc1ccc2c(c1)CC[C@@H]2NCc1cccs1 ZINC000126906034 590494032 /nfs/dbraw/zinc/49/40/32/590494032.db2.gz PMKBBGFRPXMHMR-AWEZNQCLSA-N 0 3 247.338 3.664 20 0 BHADHN CCCCCC[C@@H](C)NCc1ccc(C)cn1 ZINC000126924724 590507716 /nfs/dbraw/zinc/50/77/16/590507716.db2.gz TWUJSFGPGXCVAP-CQSZACIVSA-N 0 3 234.387 3.839 20 0 BHADHN CCCCCC[C@H](C)NCc1ccc(C)cn1 ZINC000126924948 590508077 /nfs/dbraw/zinc/50/80/77/590508077.db2.gz TWUJSFGPGXCVAP-AWEZNQCLSA-N 0 3 234.387 3.839 20 0 BHADHN Cc1ccc(CN[C@@H](C)CCCC(C)C)nc1 ZINC000126928791 324733432 /nfs/dbraw/zinc/73/34/32/324733432.db2.gz DZKCNQCLUSSABR-AWEZNQCLSA-N 0 3 234.387 3.694 20 0 BHADHN Cc1ccc(CN[C@H](C)CCCC(C)C)nc1 ZINC000126929010 346357325 /nfs/dbraw/zinc/35/73/25/346357325.db2.gz DZKCNQCLUSSABR-CQSZACIVSA-N 0 3 234.387 3.694 20 0 BHADHN Cc1ccoc1CNCCCCC(C)C ZINC000126930679 590508896 /nfs/dbraw/zinc/50/88/96/590508896.db2.gz GBTABJAJXKJBMK-UHFFFAOYSA-N 0 3 209.333 3.504 20 0 BHADHN Cc1ccoc1CNC1CCC(C)(C)CC1 ZINC000126961574 387701371 /nfs/dbraw/zinc/70/13/71/387701371.db2.gz HGYPMGKJDFCVIA-UHFFFAOYSA-N 0 3 221.344 3.646 20 0 BHADHN C[C@H](NCCCF)c1ccc(-c2ccccc2)o1 ZINC000126999503 343719405 /nfs/dbraw/zinc/71/94/05/343719405.db2.gz DRQWCIXBOJSEAQ-LBPRGKRZSA-N 0 3 247.313 3.957 20 0 BHADHN C[C@@H](NCCCF)c1ccc(-c2ccccc2)o1 ZINC000126999736 343719098 /nfs/dbraw/zinc/71/90/98/343719098.db2.gz DRQWCIXBOJSEAQ-GFCCVEGCSA-N 0 3 247.313 3.957 20 0 BHADHN CC[C@H](NCc1ccc(C)cn1)c1ccccc1 ZINC000127014201 387704355 /nfs/dbraw/zinc/70/43/55/387704355.db2.gz KZEGEMHWZTVNJD-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1ccc(C)cn1)c1ccccc1 ZINC000127014422 358559008 /nfs/dbraw/zinc/55/90/08/358559008.db2.gz KZEGEMHWZTVNJD-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN Cc1ccc(CNCC[C@@H]2CCC[C@H](C)C2)nc1 ZINC000127033539 388711572 /nfs/dbraw/zinc/71/15/72/388711572.db2.gz OKKIMECXJCKBGR-ZFWWWQNUSA-N 0 3 246.398 3.696 20 0 BHADHN Cc1ccc(CNCC[C@H]2CCC[C@H](C)C2)nc1 ZINC000127033737 388712159 /nfs/dbraw/zinc/71/21/59/388712159.db2.gz OKKIMECXJCKBGR-DZGCQCFKSA-N 0 3 246.398 3.696 20 0 BHADHN Cc1ccc(CNCC[C@@H]2CCC[C@@H](C)C2)nc1 ZINC000127033966 324739581 /nfs/dbraw/zinc/73/95/81/324739581.db2.gz OKKIMECXJCKBGR-HIFRSBDPSA-N 0 3 246.398 3.696 20 0 BHADHN Cc1ccc(CNCC[C@H]2CCC[C@@H](C)C2)nc1 ZINC000127034184 384854831 /nfs/dbraw/zinc/85/48/31/384854831.db2.gz OKKIMECXJCKBGR-UKRRQHHQSA-N 0 3 246.398 3.696 20 0 BHADHN Cc1ccc(CN2CCc3ccsc3C2)s1 ZINC000127054644 387703045 /nfs/dbraw/zinc/70/30/45/387703045.db2.gz YWCZROYTZAKLBY-UHFFFAOYSA-N 0 3 249.404 3.676 20 0 BHADHN Cc1ccsc1CN1CCc2ccsc2C1 ZINC000127061590 387703475 /nfs/dbraw/zinc/70/34/75/387703475.db2.gz UQZAIIPYZLZEEQ-UHFFFAOYSA-N 0 3 249.404 3.676 20 0 BHADHN CC[C@@H](C)C[C@@H](C)NCc1occc1C ZINC000127141636 384846741 /nfs/dbraw/zinc/84/67/41/384846741.db2.gz OAXKKBPMDIRVFC-ZYHUDNBSSA-N 0 3 209.333 3.502 20 0 BHADHN CC[C@H](C)C[C@@H](C)NCc1occc1C ZINC000127141843 171295087 /nfs/dbraw/zinc/29/50/87/171295087.db2.gz OAXKKBPMDIRVFC-CMPLNLGQSA-N 0 3 209.333 3.502 20 0 BHADHN CC[C@@H](C)C[C@H](C)NCc1occc1C ZINC000127142093 384846940 /nfs/dbraw/zinc/84/69/40/384846940.db2.gz OAXKKBPMDIRVFC-PWSUYJOCSA-N 0 3 209.333 3.502 20 0 BHADHN CC[C@H](C)C[C@H](C)NCc1occc1C ZINC000127142291 171298022 /nfs/dbraw/zinc/29/80/22/171298022.db2.gz OAXKKBPMDIRVFC-JQWIXIFHSA-N 0 3 209.333 3.502 20 0 BHADHN CC(C)(C)CNCc1cccc(Cl)c1F ZINC000127151871 324750118 /nfs/dbraw/zinc/75/01/18/324750118.db2.gz JIBDJURFYANLFJ-UHFFFAOYSA-N 0 3 229.726 3.615 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1cccc(C)n1 ZINC000127234866 345166657 /nfs/dbraw/zinc/16/66/57/345166657.db2.gz POECBENHNSSMQO-ZDUSSCGKSA-N 0 3 232.371 3.615 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1cccc(C)n1 ZINC000127235100 384260283 /nfs/dbraw/zinc/26/02/83/384260283.db2.gz POECBENHNSSMQO-CYBMUJFWSA-N 0 3 232.371 3.615 20 0 BHADHN C[C@H](NCC1(c2ccccc2)CC1)c1ccco1 ZINC000127245144 387709900 /nfs/dbraw/zinc/70/99/00/387709900.db2.gz HAGSCVFNAKIKRN-ZDUSSCGKSA-N 0 3 241.334 3.662 20 0 BHADHN C[C@@H](NCC1(c2ccccc2)CC1)c1ccco1 ZINC000127245338 387710004 /nfs/dbraw/zinc/71/00/04/387710004.db2.gz HAGSCVFNAKIKRN-CYBMUJFWSA-N 0 3 241.334 3.662 20 0 BHADHN CC(C)c1ncc(CN2CCCC2(C)C)s1 ZINC000127262412 387708668 /nfs/dbraw/zinc/70/86/68/387708668.db2.gz KHYFFRZRJYXNEN-UHFFFAOYSA-N 0 3 238.400 3.641 20 0 BHADHN Cc1ccsc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000127375761 384889576 /nfs/dbraw/zinc/88/95/76/384889576.db2.gz MPWUBZOSHWMRAD-CYBMUJFWSA-N 0 3 246.379 3.722 20 0 BHADHN Cc1ccsc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000127376037 179543992 /nfs/dbraw/zinc/54/39/92/179543992.db2.gz MPWUBZOSHWMRAD-ZDUSSCGKSA-N 0 3 246.379 3.722 20 0 BHADHN Cc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)s1 ZINC000127394372 388722365 /nfs/dbraw/zinc/72/23/65/388722365.db2.gz YEEPNMRMTCGBBN-CQSZACIVSA-N 0 3 246.379 3.722 20 0 BHADHN Cc1ccc(CN2CCC[C@H]2c2ccc[nH]2)s1 ZINC000127394610 388722746 /nfs/dbraw/zinc/72/27/46/388722746.db2.gz YEEPNMRMTCGBBN-AWEZNQCLSA-N 0 3 246.379 3.722 20 0 BHADHN C[C@H](NCc1ccn(C2CCCC2)n1)C(C)(C)C ZINC000127406976 322820282 /nfs/dbraw/zinc/82/02/82/322820282.db2.gz ZSCPHEXGQWDIPU-LBPRGKRZSA-N 0 3 249.402 3.522 20 0 BHADHN C[C@@H](NCc1ccn(C2CCCC2)n1)C(C)(C)C ZINC000127407190 388722582 /nfs/dbraw/zinc/72/25/82/388722582.db2.gz ZSCPHEXGQWDIPU-GFCCVEGCSA-N 0 3 249.402 3.522 20 0 BHADHN CCSCC[C@@H](C)NCc1ccc(Cl)o1 ZINC000127474333 384870932 /nfs/dbraw/zinc/87/09/32/384870932.db2.gz QBNONRDVNNXGSD-SECBINFHSA-N 0 3 247.791 3.554 20 0 BHADHN CCSCC[C@H](C)NCc1ccc(Cl)o1 ZINC000127474564 384870232 /nfs/dbraw/zinc/87/02/32/384870232.db2.gz QBNONRDVNNXGSD-VIFPVBQESA-N 0 3 247.791 3.554 20 0 BHADHN CCCN(C)Cc1cnc(C2CCCC2)s1 ZINC000127531957 388725985 /nfs/dbraw/zinc/72/59/85/388725985.db2.gz UYGNNXAUPPKXNI-UHFFFAOYSA-N 0 3 238.400 3.643 20 0 BHADHN CCCN(C)Cc1ccc(CSC(F)F)o1 ZINC000127565513 169081250 /nfs/dbraw/zinc/08/12/50/169081250.db2.gz OABIBPUAUCLABP-UHFFFAOYSA-N 0 3 249.326 3.577 20 0 BHADHN CCCCCCN(C)[C@@H](C)c1ccncc1 ZINC000127586320 384920316 /nfs/dbraw/zinc/92/03/16/384920316.db2.gz OFTSCGBYJSVMOZ-ZDUSSCGKSA-N 0 3 220.360 3.655 20 0 BHADHN CCCCCCN(C)[C@H](C)c1ccncc1 ZINC000127586552 168659857 /nfs/dbraw/zinc/65/98/57/168659857.db2.gz OFTSCGBYJSVMOZ-CYBMUJFWSA-N 0 3 220.360 3.655 20 0 BHADHN C[C@H]1C[C@H](NC2CCC2)c2ccsc2S1 ZINC000127647898 177369635 /nfs/dbraw/zinc/36/96/35/177369635.db2.gz CBULLXOCNRBKDM-KWQFWETISA-N 0 3 239.409 3.816 20 0 BHADHN C[C@H]1C[C@@H](NC2CCC2)c2ccsc2S1 ZINC000127648105 177330390 /nfs/dbraw/zinc/33/03/90/177330390.db2.gz CBULLXOCNRBKDM-GZMMTYOYSA-N 0 3 239.409 3.816 20 0 BHADHN CCCCCCN(C)[C@@H](C)c1cccnc1 ZINC000127814903 590789850 /nfs/dbraw/zinc/78/98/50/590789850.db2.gz ZJDFKHXZPCAQLI-ZDUSSCGKSA-N 0 3 220.360 3.655 20 0 BHADHN CCCCCCN(C)[C@H](C)c1cccnc1 ZINC000127815139 590789422 /nfs/dbraw/zinc/78/94/22/590789422.db2.gz ZJDFKHXZPCAQLI-CYBMUJFWSA-N 0 3 220.360 3.655 20 0 BHADHN C[C@H](NCCCC1CCCC1)c1cscn1 ZINC000127821306 324789157 /nfs/dbraw/zinc/78/91/57/324789157.db2.gz FCNKEDDYKCXWRT-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN C[C@@H](NCCCC1CCCC1)c1cscn1 ZINC000127821558 388731890 /nfs/dbraw/zinc/73/18/90/388731890.db2.gz FCNKEDDYKCXWRT-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN C[C@H](NC[C@H]1CCC[C@@H](C)C1)c1cscn1 ZINC000127830316 324790107 /nfs/dbraw/zinc/79/01/07/324790107.db2.gz XLYDSSFEWDXPBM-WOPDTQHZSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@@H]1CCC[C@@H](C)C1)c1cscn1 ZINC000127830745 388731812 /nfs/dbraw/zinc/73/18/12/388731812.db2.gz XLYDSSFEWDXPBM-GRYCIOLGSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC1[C@@H](C)CCC[C@@H]1C)c1cscn1 ZINC000127832881 323005801 /nfs/dbraw/zinc/00/58/01/323005801.db2.gz RHNWRZBDSCYWIB-DCAQKATOSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](NC1[C@H](C)CCC[C@H]1C)c1cscn1 ZINC000127833153 323005810 /nfs/dbraw/zinc/00/58/10/323005810.db2.gz RHNWRZBDSCYWIB-MXWKQRLJSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@@H](c1cccnc1)N(C)CCC1CCCC1 ZINC000127843003 176029303 /nfs/dbraw/zinc/02/93/03/176029303.db2.gz XOJYIAZCFXOBPP-ZDUSSCGKSA-N 0 3 232.371 3.655 20 0 BHADHN C[C@H](c1cccnc1)N(C)CCC1CCCC1 ZINC000127843200 177044709 /nfs/dbraw/zinc/04/47/09/177044709.db2.gz XOJYIAZCFXOBPP-CYBMUJFWSA-N 0 3 232.371 3.655 20 0 BHADHN CC[C@H](N[C@@H](C)c1cscn1)C(C)(C)C ZINC000127845459 324791782 /nfs/dbraw/zinc/79/17/82/324791782.db2.gz PKLRHVMSLFALSW-ONGXEEELSA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cscn1)C(C)(C)C ZINC000127845689 324791571 /nfs/dbraw/zinc/79/15/71/324791571.db2.gz PKLRHVMSLFALSW-GXSJLCMTSA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@H](N[C@H](C)c1cscn1)C(C)(C)C ZINC000127845882 324791341 /nfs/dbraw/zinc/79/13/41/324791341.db2.gz PKLRHVMSLFALSW-KOLCDFICSA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@@H](N[C@H](C)c1cscn1)C(C)(C)C ZINC000127846058 324791355 /nfs/dbraw/zinc/79/13/55/324791355.db2.gz PKLRHVMSLFALSW-MWLCHTKSSA-N 0 3 226.389 3.618 20 0 BHADHN CCC1(CN[C@@H](C)c2cscn2)CCCC1 ZINC000127894327 324793923 /nfs/dbraw/zinc/79/39/23/324793923.db2.gz PCANICYAABYZLW-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN CCC1(CN[C@H](C)c2cscn2)CCCC1 ZINC000127894536 324793505 /nfs/dbraw/zinc/79/35/05/324793505.db2.gz PCANICYAABYZLW-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN CCCCCCN(C)[C@@H](C)c1ccccn1 ZINC000128043090 384982406 /nfs/dbraw/zinc/98/24/06/384982406.db2.gz VZUNAWXTPGDVMH-ZDUSSCGKSA-N 0 3 220.360 3.655 20 0 BHADHN CCCCCCN(C)[C@H](C)c1ccccn1 ZINC000128043353 384983678 /nfs/dbraw/zinc/98/36/78/384983678.db2.gz VZUNAWXTPGDVMH-CYBMUJFWSA-N 0 3 220.360 3.655 20 0 BHADHN C[C@@H](c1ccccn1)N(C)CCC1CCCC1 ZINC000128070893 388737730 /nfs/dbraw/zinc/73/77/30/388737730.db2.gz LSVSZOLOUMMCHY-ZDUSSCGKSA-N 0 3 232.371 3.655 20 0 BHADHN C[C@H](c1ccccn1)N(C)CCC1CCCC1 ZINC000128071129 388737294 /nfs/dbraw/zinc/73/72/94/388737294.db2.gz LSVSZOLOUMMCHY-CYBMUJFWSA-N 0 3 232.371 3.655 20 0 BHADHN CSC(C)(C)CN[C@@H](C)c1ccccc1F ZINC000128173051 385006907 /nfs/dbraw/zinc/00/69/07/385006907.db2.gz NYGRDPYAKYICAV-JTQLQIEISA-N 0 3 241.375 3.618 20 0 BHADHN CSC(C)(C)CN[C@H](C)c1ccccc1F ZINC000128173260 175443119 /nfs/dbraw/zinc/44/31/19/175443119.db2.gz NYGRDPYAKYICAV-SNVBAGLBSA-N 0 3 241.375 3.618 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1cncs1 ZINC000128191029 179321964 /nfs/dbraw/zinc/32/19/64/179321964.db2.gz GLZCXXPUTWABCN-NEPJUHHUSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@@H](C)c1cncs1 ZINC000128191220 179339792 /nfs/dbraw/zinc/33/97/92/179339792.db2.gz GLZCXXPUTWABCN-RYUDHWBXSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@H](C)c1cncs1 ZINC000128191450 179322756 /nfs/dbraw/zinc/32/27/56/179322756.db2.gz GLZCXXPUTWABCN-VXGBXAGGSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@H](C)c1cncs1 ZINC000128191670 179338810 /nfs/dbraw/zinc/33/88/10/179338810.db2.gz GLZCXXPUTWABCN-NWDGAFQWSA-N 0 3 246.379 3.863 20 0 BHADHN C[C@H](N[C@@H](C)C1CCC1)c1ccc(F)cc1F ZINC000128199585 388740712 /nfs/dbraw/zinc/74/07/12/388740712.db2.gz ZXCZDISXYFVALH-UWVGGRQHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)C1CCC1)c1ccc(F)cc1F ZINC000128199826 388741490 /nfs/dbraw/zinc/74/14/90/388741490.db2.gz ZXCZDISXYFVALH-VHSXEESVSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccc(F)cc1F)C1CCC1 ZINC000128200050 324812194 /nfs/dbraw/zinc/81/21/94/324812194.db2.gz ZXCZDISXYFVALH-ZJUUUORDSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H](C)C1CCC1)c1ccc(F)cc1F ZINC000128200238 324812158 /nfs/dbraw/zinc/81/21/58/324812158.db2.gz ZXCZDISXYFVALH-NXEZZACHSA-N 0 3 239.309 3.804 20 0 BHADHN CSC(C)(C)CNCc1ccccc1Cl ZINC000128200613 590921215 /nfs/dbraw/zinc/92/12/15/590921215.db2.gz ZXGCNBXVVPARMX-UHFFFAOYSA-N 0 3 243.803 3.571 20 0 BHADHN CCC[C@@H](C)NCc1cc(-c2ccccc2)on1 ZINC000128201765 169370780 /nfs/dbraw/zinc/37/07/80/169370780.db2.gz MYUZEILADFFIHQ-GFCCVEGCSA-N 0 3 244.338 3.620 20 0 BHADHN CCC[C@H](C)NCc1cc(-c2ccccc2)on1 ZINC000128202013 385013793 /nfs/dbraw/zinc/01/37/93/385013793.db2.gz MYUZEILADFFIHQ-LBPRGKRZSA-N 0 3 244.338 3.620 20 0 BHADHN CSCCN(C)Cc1c(C)oc2ccccc21 ZINC000128210300 387739650 /nfs/dbraw/zinc/73/96/50/387739650.db2.gz SYAYGUKONVBMTA-UHFFFAOYSA-N 0 3 249.379 3.536 20 0 BHADHN COc1ccc([C@H](C)N(C)CC=C(C)C)cc1 ZINC000128469970 388763610 /nfs/dbraw/zinc/76/36/10/388763610.db2.gz AQUNUTYCOONFQQ-ZDUSSCGKSA-N 0 3 233.355 3.654 20 0 BHADHN COc1ccc([C@@H](C)N(C)CC=C(C)C)cc1 ZINC000128470168 388762715 /nfs/dbraw/zinc/76/27/15/388762715.db2.gz AQUNUTYCOONFQQ-CYBMUJFWSA-N 0 3 233.355 3.654 20 0 BHADHN Cc1nc([C@H](C)N[C@@H]2CC[C@H](C)C2)c(C)s1 ZINC000128486942 591091732 /nfs/dbraw/zinc/09/17/32/591091732.db2.gz GVHZMXRAWPWRSU-HOTUBEGUSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@H](C)N[C@H]2CC[C@H](C)C2)c(C)s1 ZINC000128487461 591091537 /nfs/dbraw/zinc/09/15/37/591091537.db2.gz GVHZMXRAWPWRSU-AUTRQRHGSA-N 0 3 238.400 3.599 20 0 BHADHN CCSCCCN[C@@H](C)c1ccccc1F ZINC000128531557 387750928 /nfs/dbraw/zinc/75/09/28/387750928.db2.gz VBCSFGUJJKVITE-NSHDSACASA-N 0 3 241.375 3.620 20 0 BHADHN CCSCCCN[C@H](C)c1ccccc1F ZINC000128531761 387749165 /nfs/dbraw/zinc/74/91/65/387749165.db2.gz VBCSFGUJJKVITE-LLVKDONJSA-N 0 3 241.375 3.620 20 0 BHADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000128538811 387750795 /nfs/dbraw/zinc/75/07/95/387750795.db2.gz QUGWOUWJEDVUJU-SDDRHHMPSA-N 0 3 247.338 3.507 20 0 BHADHN CO[C@H](C)[C@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000128539039 387749232 /nfs/dbraw/zinc/74/92/32/387749232.db2.gz QUGWOUWJEDVUJU-QJPTWQEYSA-N 0 3 247.338 3.507 20 0 BHADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000128539288 387750638 /nfs/dbraw/zinc/75/06/38/387750638.db2.gz QUGWOUWJEDVUJU-GRYCIOLGSA-N 0 3 247.338 3.507 20 0 BHADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000128539521 387750072 /nfs/dbraw/zinc/75/00/72/387750072.db2.gz QUGWOUWJEDVUJU-IJLUTSLNSA-N 0 3 247.338 3.507 20 0 BHADHN Cc1oncc1CN1CCCC2(CCCCC2)C1 ZINC000128616992 387751997 /nfs/dbraw/zinc/75/19/97/387751997.db2.gz MAARUVFXPMZEMZ-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1cc(Cl)ccc1CNCc1ccccc1 ZINC000128711399 323174419 /nfs/dbraw/zinc/17/44/19/323174419.db2.gz MHQOJVOZKQAJDI-UHFFFAOYSA-N 0 3 245.753 3.938 20 0 BHADHN C[C@H](NCCCCc1ccccc1)c1ccco1 ZINC000128735875 490588922 /nfs/dbraw/zinc/58/89/22/490588922.db2.gz VSTBQDHITKIXPA-AWEZNQCLSA-N 0 3 243.350 3.953 20 0 BHADHN C[C@@H](NCCCCc1ccccc1)c1ccco1 ZINC000128736083 490588797 /nfs/dbraw/zinc/58/87/97/490588797.db2.gz VSTBQDHITKIXPA-CQSZACIVSA-N 0 3 243.350 3.953 20 0 BHADHN C[C@@H]1CCC[C@H](C)N1CCC(=O)c1ccccc1 ZINC000128759956 388790557 /nfs/dbraw/zinc/79/05/57/388790557.db2.gz QVBFEMOVGUOSBU-OKILXGFUSA-N 0 3 245.366 3.522 20 0 BHADHN FCCCNC(c1ccccc1)c1ccccc1 ZINC000128821269 385075520 /nfs/dbraw/zinc/07/55/20/385075520.db2.gz REQWGKZFTVUSQU-UHFFFAOYSA-N 0 3 243.325 3.725 20 0 BHADHN Cl/C=C(/Cl)CN1CCC[C@@H]2CCC[C@H]21 ZINC000128844099 591167062 /nfs/dbraw/zinc/16/70/62/591167062.db2.gz ZKZFIWLRXQWWIP-YZMGIVQGSA-N 0 3 234.170 3.570 20 0 BHADHN CC1CC(NCc2c(Cl)cccc2Cl)C1 ZINC000128886548 388802624 /nfs/dbraw/zinc/80/26/24/388802624.db2.gz XEVFRXLDGJAEJN-UHFFFAOYSA-N 0 3 244.165 3.882 20 0 BHADHN CC1CC(NCc2cccc(Cl)c2Cl)C1 ZINC000128886765 324894761 /nfs/dbraw/zinc/89/47/61/324894761.db2.gz BSBBYMAMJHUXCE-UHFFFAOYSA-N 0 3 244.165 3.882 20 0 BHADHN CC1CC(NCc2ccc(Cl)cc2Cl)C1 ZINC000128890538 388802329 /nfs/dbraw/zinc/80/23/29/388802329.db2.gz MQOQRILYQBLHRO-UHFFFAOYSA-N 0 3 244.165 3.882 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccccc1C ZINC000128921351 384964442 /nfs/dbraw/zinc/96/44/42/384964442.db2.gz KWJSXLSORPBKSK-CYBMUJFWSA-N 0 3 203.329 3.612 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccccc1C ZINC000128921594 384964830 /nfs/dbraw/zinc/96/48/30/384964830.db2.gz KWJSXLSORPBKSK-ZDUSSCGKSA-N 0 3 203.329 3.612 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000128922279 187359188 /nfs/dbraw/zinc/35/91/88/187359188.db2.gz LAVOQJDPRPRFRD-JTQLQIEISA-N 0 3 225.282 3.582 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccc(F)c(F)c1 ZINC000128922523 188221127 /nfs/dbraw/zinc/22/11/27/188221127.db2.gz LAVOQJDPRPRFRD-SNVBAGLBSA-N 0 3 225.282 3.582 20 0 BHADHN C[C@@H]1CC[C@H](NCc2ccc(F)cc2Cl)C1 ZINC000128944721 324899955 /nfs/dbraw/zinc/89/99/55/324899955.db2.gz WMAYZUGZFLJYQQ-SKDRFNHKSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CC[C@H](NCc2ccc(F)cc2Cl)C1 ZINC000128944939 324899830 /nfs/dbraw/zinc/89/98/30/324899830.db2.gz WMAYZUGZFLJYQQ-CABZTGNLSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H]1CC[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC000128945200 324899810 /nfs/dbraw/zinc/89/98/10/324899810.db2.gz WMAYZUGZFLJYQQ-BXKDBHETSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CC[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC000128945437 324900087 /nfs/dbraw/zinc/90/00/87/324900087.db2.gz WMAYZUGZFLJYQQ-JOYOIKCWSA-N 0 3 241.737 3.757 20 0 BHADHN Cc1cccc(CNCc2cc(F)ccc2C)c1 ZINC000129017267 388812106 /nfs/dbraw/zinc/81/21/06/388812106.db2.gz KLDDUAAOKQKBOQ-UHFFFAOYSA-N 0 3 243.325 3.732 20 0 BHADHN Cc1ccc(CNCc2cc(F)ccc2C)s1 ZINC000129030993 387762097 /nfs/dbraw/zinc/76/20/97/387762097.db2.gz RVDDUOBXVSEBNF-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN CCSCCN[C@H](C)c1cccc(Cl)c1 ZINC000129048430 388813433 /nfs/dbraw/zinc/81/34/33/388813433.db2.gz HQHYLYZJEOGEEE-SNVBAGLBSA-N 0 3 243.803 3.744 20 0 BHADHN Cc1ccsc1CNCc1cc(F)ccc1C ZINC000129048690 386046595 /nfs/dbraw/zinc/04/65/95/386046595.db2.gz JTSJTGHUWOGDJP-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN CCC1(NCc2ccccc2Cl)CCC1 ZINC000129068158 388814704 /nfs/dbraw/zinc/81/47/04/388814704.db2.gz OQRZENOVVBBUPA-UHFFFAOYSA-N 0 3 223.747 3.762 20 0 BHADHN CC[C@@H](C)CN[C@@H](C)c1cccc(F)c1F ZINC000129147326 388820715 /nfs/dbraw/zinc/82/07/15/388820715.db2.gz BOGFQUBZUGTTPK-ZJUUUORDSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@H](C)CN[C@@H](C)c1cccc(F)c1F ZINC000129147476 324922353 /nfs/dbraw/zinc/92/23/53/324922353.db2.gz BOGFQUBZUGTTPK-UWVGGRQHSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@@H](C)CN[C@H](C)c1cccc(F)c1F ZINC000129147675 324922394 /nfs/dbraw/zinc/92/23/94/324922394.db2.gz BOGFQUBZUGTTPK-NXEZZACHSA-N 0 3 227.298 3.662 20 0 BHADHN CC[C@H](C)CN[C@H](C)c1cccc(F)c1F ZINC000129147886 388820011 /nfs/dbraw/zinc/82/00/11/388820011.db2.gz BOGFQUBZUGTTPK-VHSXEESVSA-N 0 3 227.298 3.662 20 0 BHADHN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C1CCC1 ZINC000129159526 388822756 /nfs/dbraw/zinc/82/27/56/388822756.db2.gz GVJWJEDHMZKHJF-SUNKGSAMSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C1CCC1 ZINC000129159945 324923133 /nfs/dbraw/zinc/92/31/33/324923133.db2.gz GVJWJEDHMZKHJF-UHIISALHSA-N 0 3 233.355 3.681 20 0 BHADHN c1coc(CNC2CCC3(CCCC3)CC2)c1 ZINC000129186853 387763740 /nfs/dbraw/zinc/76/37/40/387763740.db2.gz RHVKAFSNFNEYLB-UHFFFAOYSA-N 0 3 233.355 3.872 20 0 BHADHN CC[C@H](N[C@@H](C)c1nccs1)C(C)(C)C ZINC000129198328 384983938 /nfs/dbraw/zinc/98/39/38/384983938.db2.gz MWTNZGRZSNNUDD-UWVGGRQHSA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@@H](N[C@@H](C)c1nccs1)C(C)(C)C ZINC000129198517 170909858 /nfs/dbraw/zinc/90/98/58/170909858.db2.gz MWTNZGRZSNNUDD-VHSXEESVSA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@H](N[C@H](C)c1nccs1)C(C)(C)C ZINC000129198730 384983005 /nfs/dbraw/zinc/98/30/05/384983005.db2.gz MWTNZGRZSNNUDD-ZJUUUORDSA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@@H](N[C@H](C)c1nccs1)C(C)(C)C ZINC000129198946 344211157 /nfs/dbraw/zinc/21/11/57/344211157.db2.gz MWTNZGRZSNNUDD-NXEZZACHSA-N 0 3 226.389 3.618 20 0 BHADHN C[C@H](NC[C@H]1C[C@H]1C)c1ccccc1Cl ZINC000129276500 322962058 /nfs/dbraw/zinc/96/20/58/322962058.db2.gz BTWADYFWUHSRBP-OUAUKWLOSA-N 0 3 223.747 3.647 20 0 BHADHN C[C@H](NC[C@H]1C[C@@H]1C)c1ccccc1Cl ZINC000129276693 388828734 /nfs/dbraw/zinc/82/87/34/388828734.db2.gz BTWADYFWUHSRBP-GARJFASQSA-N 0 3 223.747 3.647 20 0 BHADHN C[C@H](NC[C@@H]1C[C@H]1C)c1ccccc1Cl ZINC000129276896 388828699 /nfs/dbraw/zinc/82/86/99/388828699.db2.gz BTWADYFWUHSRBP-VWYCJHECSA-N 0 3 223.747 3.647 20 0 BHADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1ccccc1Cl ZINC000129277106 388828247 /nfs/dbraw/zinc/82/82/47/388828247.db2.gz BTWADYFWUHSRBP-DCAQKATOSA-N 0 3 223.747 3.647 20 0 BHADHN CCC[C@@H](CC)N[C@@H](C)c1cccnc1Cl ZINC000129323620 591278697 /nfs/dbraw/zinc/27/86/97/591278697.db2.gz TYIRELNOTHRZNF-WDEREUQCSA-N 0 3 240.778 3.964 20 0 BHADHN CCC[C@H](CC)N[C@@H](C)c1cccnc1Cl ZINC000129323854 591278448 /nfs/dbraw/zinc/27/84/48/591278448.db2.gz TYIRELNOTHRZNF-QWRGUYRKSA-N 0 3 240.778 3.964 20 0 BHADHN CCC[C@@H](CC)N[C@H](C)c1cccnc1Cl ZINC000129324090 591278952 /nfs/dbraw/zinc/27/89/52/591278952.db2.gz TYIRELNOTHRZNF-GHMZBOCLSA-N 0 3 240.778 3.964 20 0 BHADHN CCC[C@H](CC)N[C@H](C)c1cccnc1Cl ZINC000129324335 591278586 /nfs/dbraw/zinc/27/85/86/591278586.db2.gz TYIRELNOTHRZNF-MNOVXSKESA-N 0 3 240.778 3.964 20 0 BHADHN CS[C@H]1CCC[C@@H](N[C@@H](C)c2ccco2)C1 ZINC000129343589 384999220 /nfs/dbraw/zinc/99/92/20/384999220.db2.gz VTVCXESDFYOARA-TUAOUCFPSA-N 0 3 239.384 3.604 20 0 BHADHN CS[C@H]1CCC[C@@H](N[C@H](C)c2ccco2)C1 ZINC000129343840 385140466 /nfs/dbraw/zinc/14/04/66/385140466.db2.gz VTVCXESDFYOARA-UTUOFQBUSA-N 0 3 239.384 3.604 20 0 BHADHN CS[C@H]1CCC[C@H](N[C@@H](C)c2ccco2)C1 ZINC000129344049 384998203 /nfs/dbraw/zinc/99/82/03/384998203.db2.gz VTVCXESDFYOARA-SRVKXCTJSA-N 0 3 239.384 3.604 20 0 BHADHN CS[C@H]1CCC[C@H](N[C@H](C)c2ccco2)C1 ZINC000129344257 385141254 /nfs/dbraw/zinc/14/12/54/385141254.db2.gz VTVCXESDFYOARA-WOPDTQHZSA-N 0 3 239.384 3.604 20 0 BHADHN CN(C)Cc1cccc(N[C@H]2CCC(C)(C)C2)c1 ZINC000129357665 388833342 /nfs/dbraw/zinc/83/33/42/388833342.db2.gz YDSSEAVPGIESSU-HNNXBMFYSA-N 0 3 246.398 3.739 20 0 BHADHN CN(C)Cc1cccc(N[C@@H]2CCC(C)(C)C2)c1 ZINC000129357900 388834301 /nfs/dbraw/zinc/83/43/01/388834301.db2.gz YDSSEAVPGIESSU-OAHLLOKOSA-N 0 3 246.398 3.739 20 0 BHADHN Cc1cc(CNC2CCC3(CCCC3)CC2)no1 ZINC000129364610 388835006 /nfs/dbraw/zinc/83/50/06/388835006.db2.gz WFJJVDCAYOMXMU-UHFFFAOYSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1cc(CNC2CCC3(CCCC3)CC2)on1 ZINC000129366167 178018139 /nfs/dbraw/zinc/01/81/39/178018139.db2.gz NKTVFMHMWCJYIM-UHFFFAOYSA-N 0 3 248.370 3.576 20 0 BHADHN CCC(CC)CN(CC)Cc1nc(C)cs1 ZINC000129409744 168350137 /nfs/dbraw/zinc/35/01/37/168350137.db2.gz WXVRVDGKUTVVNY-UHFFFAOYSA-N 0 3 240.416 3.710 20 0 BHADHN C[C@H](NC1CC(C)C1)c1ccccc1Cl ZINC000129485851 388848393 /nfs/dbraw/zinc/84/83/93/388848393.db2.gz FBECLEUCNWXLCN-YVNMAJEFSA-N 0 3 223.747 3.789 20 0 BHADHN C[C@@H](NC1CC(C)C1)c1ccccc1Cl ZINC000129486054 388847707 /nfs/dbraw/zinc/84/77/07/388847707.db2.gz FBECLEUCNWXLCN-HSOILSAZSA-N 0 3 223.747 3.789 20 0 BHADHN CC1(C)CC[C@H](NCc2ccc(F)cc2F)C1 ZINC000129515295 388849964 /nfs/dbraw/zinc/84/99/64/388849964.db2.gz XRTBSZOLTFQIDA-LBPRGKRZSA-N 0 3 239.309 3.633 20 0 BHADHN CC1(C)CC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000129515474 388849213 /nfs/dbraw/zinc/84/92/13/388849213.db2.gz XRTBSZOLTFQIDA-GFCCVEGCSA-N 0 3 239.309 3.633 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCC(C)(C)C1 ZINC000129554721 490151218 /nfs/dbraw/zinc/15/12/18/490151218.db2.gz QADCNZSLMQPVOC-BXKDBHETSA-N 0 3 236.359 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CCC(C)(C)C1 ZINC000129554936 490151304 /nfs/dbraw/zinc/15/13/04/490151304.db2.gz QADCNZSLMQPVOC-JOYOIKCWSA-N 0 3 236.359 3.521 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@H]1CCC(C)(C)C1 ZINC000129555160 491132153 /nfs/dbraw/zinc/13/21/53/491132153.db2.gz QADCNZSLMQPVOC-SKDRFNHKSA-N 0 3 236.359 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@H]1CCC(C)(C)C1 ZINC000129555354 490150964 /nfs/dbraw/zinc/15/09/64/490150964.db2.gz QADCNZSLMQPVOC-CABZTGNLSA-N 0 3 236.359 3.521 20 0 BHADHN C[C@H](NC[C@H]1C[C@H]1C)c1nc2ccccc2s1 ZINC000129685565 591377733 /nfs/dbraw/zinc/37/77/33/591377733.db2.gz OXZGLUHXXJSEIB-OUAUKWLOSA-N 0 3 246.379 3.603 20 0 BHADHN C[C@H](NC[C@H]1C[C@@H]1C)c1nc2ccccc2s1 ZINC000129685782 591379014 /nfs/dbraw/zinc/37/90/14/591379014.db2.gz OXZGLUHXXJSEIB-GARJFASQSA-N 0 3 246.379 3.603 20 0 BHADHN C[C@H](NC[C@@H]1C[C@H]1C)c1nc2ccccc2s1 ZINC000129686011 591377403 /nfs/dbraw/zinc/37/74/03/591377403.db2.gz OXZGLUHXXJSEIB-VWYCJHECSA-N 0 3 246.379 3.603 20 0 BHADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1nc2ccccc2s1 ZINC000129686249 591377505 /nfs/dbraw/zinc/37/75/05/591377505.db2.gz OXZGLUHXXJSEIB-DCAQKATOSA-N 0 3 246.379 3.603 20 0 BHADHN C[C@H](NCCCC1CC1)c1cccnc1Cl ZINC000129731255 591392509 /nfs/dbraw/zinc/39/25/09/591392509.db2.gz NOSQIIUAOLSDSX-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCCCC1CC1)c1cccnc1Cl ZINC000129731475 591391947 /nfs/dbraw/zinc/39/19/47/591391947.db2.gz NOSQIIUAOLSDSX-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN CCc1ccc([C@@H](C)NCCCC2CC2)o1 ZINC000129733392 388869247 /nfs/dbraw/zinc/86/92/47/388869247.db2.gz SLUYNWRNJOIWJZ-LLVKDONJSA-N 0 3 221.344 3.683 20 0 BHADHN CCc1ccc([C@H](C)NCCCC2CC2)o1 ZINC000129733608 490527997 /nfs/dbraw/zinc/52/79/97/490527997.db2.gz SLUYNWRNJOIWJZ-NSHDSACASA-N 0 3 221.344 3.683 20 0 BHADHN Cc1cc(C)cc([C@@H](C)NCCOCC(C)C)c1 ZINC000129787081 388870421 /nfs/dbraw/zinc/87/04/21/388870421.db2.gz MQOHFFJOEIHIDR-OAHLLOKOSA-N 0 3 249.398 3.627 20 0 BHADHN Cc1cc(C)cc([C@H](C)NCCOCC(C)C)c1 ZINC000129787259 324984568 /nfs/dbraw/zinc/98/45/68/324984568.db2.gz MQOHFFJOEIHIDR-HNNXBMFYSA-N 0 3 249.398 3.627 20 0 BHADHN CCc1ccc([C@@H](C)NCCOCC(C)C)cc1 ZINC000129789675 388870391 /nfs/dbraw/zinc/87/03/91/388870391.db2.gz WFONCZKYJXQWKM-CQSZACIVSA-N 0 3 249.398 3.572 20 0 BHADHN CCc1ccc([C@H](C)NCCOCC(C)C)cc1 ZINC000129789880 324984579 /nfs/dbraw/zinc/98/45/79/324984579.db2.gz WFONCZKYJXQWKM-AWEZNQCLSA-N 0 3 249.398 3.572 20 0 BHADHN Cc1ccc([C@@H](C)NCCOCC(C)C)cc1C ZINC000129802834 388870293 /nfs/dbraw/zinc/87/02/93/388870293.db2.gz HUHFTWBVUASRFW-OAHLLOKOSA-N 0 3 249.398 3.627 20 0 BHADHN Cc1ccc([C@H](C)NCCOCC(C)C)cc1C ZINC000129803041 388871139 /nfs/dbraw/zinc/87/11/39/388871139.db2.gz HUHFTWBVUASRFW-HNNXBMFYSA-N 0 3 249.398 3.627 20 0 BHADHN Cc1ccc([C@@H](C)NCCOCC(C)C)c(C)c1 ZINC000129819270 388871972 /nfs/dbraw/zinc/87/19/72/388871972.db2.gz RKMSYENOMCCWHB-OAHLLOKOSA-N 0 3 249.398 3.627 20 0 BHADHN Cc1ccc([C@H](C)NCCOCC(C)C)c(C)c1 ZINC000129819467 324986645 /nfs/dbraw/zinc/98/66/45/324986645.db2.gz RKMSYENOMCCWHB-HNNXBMFYSA-N 0 3 249.398 3.627 20 0 BHADHN CC(C)CCCN[C@@H]1CSc2ccccc21 ZINC000129898140 388875450 /nfs/dbraw/zinc/87/54/50/388875450.db2.gz VZVHIMCWQUOFCD-CYBMUJFWSA-N 0 3 235.396 3.859 20 0 BHADHN CC(C)CCCN[C@H]1CSc2ccccc21 ZINC000129898364 323009799 /nfs/dbraw/zinc/00/97/99/323009799.db2.gz VZVHIMCWQUOFCD-ZDUSSCGKSA-N 0 3 235.396 3.859 20 0 BHADHN C[C@H](NCCCC(C)(C)C)c1ccoc1 ZINC000129966139 388877983 /nfs/dbraw/zinc/87/79/83/388877983.db2.gz IDOIATMCQVUCNE-NSHDSACASA-N 0 3 209.333 3.757 20 0 BHADHN C[C@@H](NCCCC(C)(C)C)c1ccoc1 ZINC000129966350 388877421 /nfs/dbraw/zinc/87/74/21/388877421.db2.gz IDOIATMCQVUCNE-LLVKDONJSA-N 0 3 209.333 3.757 20 0 BHADHN C[C@H](NCCCC(C)(C)C)c1cscn1 ZINC000129971460 324999832 /nfs/dbraw/zinc/99/98/32/324999832.db2.gz IYGJBARUZKWZEQ-JTQLQIEISA-N 0 3 226.389 3.620 20 0 BHADHN C[C@@H](NCCCC(C)(C)C)c1cscn1 ZINC000129971665 388878334 /nfs/dbraw/zinc/87/83/34/388878334.db2.gz IYGJBARUZKWZEQ-SNVBAGLBSA-N 0 3 226.389 3.620 20 0 BHADHN C[C@H](NCCCC(C)(C)C)c1cncs1 ZINC000129973858 324999453 /nfs/dbraw/zinc/99/94/53/324999453.db2.gz OVHJPCSRYXXZSY-JTQLQIEISA-N 0 3 226.389 3.620 20 0 BHADHN C[C@@H](NCCCC(C)(C)C)c1cncs1 ZINC000129974065 324998206 /nfs/dbraw/zinc/99/82/06/324998206.db2.gz OVHJPCSRYXXZSY-SNVBAGLBSA-N 0 3 226.389 3.620 20 0 BHADHN CC[C@H](N[C@@H](C)c1cncs1)c1ccccc1 ZINC000130047568 385216754 /nfs/dbraw/zinc/21/67/54/385216754.db2.gz VSVYDZWICGJOHQ-AAEUAGOBSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cncs1)c1ccccc1 ZINC000130047760 345266918 /nfs/dbraw/zinc/26/69/18/345266918.db2.gz VSVYDZWICGJOHQ-WCQYABFASA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@H](N[C@H](C)c1cncs1)c1ccccc1 ZINC000130047987 385214473 /nfs/dbraw/zinc/21/44/73/385214473.db2.gz VSVYDZWICGJOHQ-YPMHNXCESA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@@H](N[C@H](C)c1cncs1)c1ccccc1 ZINC000130048225 170913366 /nfs/dbraw/zinc/91/33/66/170913366.db2.gz VSVYDZWICGJOHQ-DGCLKSJQSA-N 0 3 246.379 3.945 20 0 BHADHN C[C@@H](CC1CCC1)NCc1ccc(F)cc1F ZINC000130054127 490215764 /nfs/dbraw/zinc/21/57/64/490215764.db2.gz HPBQGDDXSGEQAN-JTQLQIEISA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H](CC1CCC1)NCc1ccc(F)cc1F ZINC000130054326 490216112 /nfs/dbraw/zinc/21/61/12/490216112.db2.gz HPBQGDDXSGEQAN-SNVBAGLBSA-N 0 3 239.309 3.633 20 0 BHADHN CC[C@@H](c1ccncc1)N(C)Cc1ccccc1 ZINC000130159423 345269263 /nfs/dbraw/zinc/26/92/63/345269263.db2.gz ORHSVQRTZDCRMV-INIZCTEOSA-N 0 3 240.350 3.665 20 0 BHADHN CC[C@H](c1ccncc1)N(C)Cc1ccccc1 ZINC000130159681 385224987 /nfs/dbraw/zinc/22/49/87/385224987.db2.gz ORHSVQRTZDCRMV-MRXNPFEDSA-N 0 3 240.350 3.665 20 0 BHADHN C[C@H](NCCC1CCC1)c1ccccc1F ZINC000130193590 591448050 /nfs/dbraw/zinc/44/80/50/591448050.db2.gz PSDPQGHUVZZOSH-NSHDSACASA-N 0 3 221.319 3.667 20 0 BHADHN C[C@@H](NCCC1CCC1)c1ccccc1F ZINC000130193795 591447023 /nfs/dbraw/zinc/44/70/23/591447023.db2.gz PSDPQGHUVZZOSH-LLVKDONJSA-N 0 3 221.319 3.667 20 0 BHADHN Cc1cccc(C)c1CN[C@@H](C)c1ccncc1 ZINC000130236538 591448912 /nfs/dbraw/zinc/44/89/12/591448912.db2.gz IAGAVYQZDBPFJR-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc(C)c1CN[C@H](C)c1ccncc1 ZINC000130236769 591449024 /nfs/dbraw/zinc/44/90/24/591449024.db2.gz IAGAVYQZDBPFJR-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc(C)c1CN[C@@H](C)c1cccnc1 ZINC000130237854 179037484 /nfs/dbraw/zinc/03/74/84/179037484.db2.gz CBOYDJYNWZBZLD-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc(C)c1CN[C@H](C)c1cccnc1 ZINC000130238047 179038590 /nfs/dbraw/zinc/03/85/90/179038590.db2.gz CBOYDJYNWZBZLD-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc([C@@H](C)NCc2ccc(O)cc2)c1 ZINC000130298190 490370766 /nfs/dbraw/zinc/37/07/66/490370766.db2.gz HSSUYHFNAJARNI-CYBMUJFWSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1cccc([C@H](C)NCc2ccc(O)cc2)c1 ZINC000130298405 490370739 /nfs/dbraw/zinc/37/07/39/490370739.db2.gz HSSUYHFNAJARNI-ZDUSSCGKSA-N 0 3 241.334 3.551 20 0 BHADHN Clc1ccccc1CNCCC1CCC1 ZINC000130339852 591458981 /nfs/dbraw/zinc/45/89/81/591458981.db2.gz NWRYBXSLERWXCV-UHFFFAOYSA-N 0 3 223.747 3.620 20 0 BHADHN Fc1cccc(Cl)c1CNCCC1CCC1 ZINC000130347948 591458464 /nfs/dbraw/zinc/45/84/64/591458464.db2.gz BIKWKOCZGAOEEW-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN Cc1cccc(CNCc2c(C)cccc2C)c1 ZINC000130398574 325048065 /nfs/dbraw/zinc/04/80/65/325048065.db2.gz HYHZUTAFDAAIPA-UHFFFAOYSA-N 0 3 239.362 3.902 20 0 BHADHN CCCCC[C@@H](C)NCc1ncc(CC)s1 ZINC000130400089 591463346 /nfs/dbraw/zinc/46/33/46/591463346.db2.gz DOOIBJCMYOPJNX-LLVKDONJSA-N 0 3 240.416 3.764 20 0 BHADHN Cc1ccsc1CNCc1c(C)cccc1C ZINC000130400217 325048852 /nfs/dbraw/zinc/04/88/52/325048852.db2.gz UHGDFVQTWSJKGC-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN CCCCC[C@H](C)NCc1ncc(CC)s1 ZINC000130400293 591462864 /nfs/dbraw/zinc/46/28/64/591462864.db2.gz DOOIBJCMYOPJNX-NSHDSACASA-N 0 3 240.416 3.764 20 0 BHADHN Cc1ccc(CNCc2c(C)cccc2C)s1 ZINC000130401315 325048779 /nfs/dbraw/zinc/04/87/79/325048779.db2.gz PREPWOXJFUHMSH-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN CC[C@@H](C)N[C@@H](C)c1c(F)cccc1Cl ZINC000130412609 325049465 /nfs/dbraw/zinc/04/94/65/325049465.db2.gz GVDLEWKCYSMOMO-BDAKNGLRSA-N 0 3 229.726 3.928 20 0 BHADHN CC[C@H](C)N[C@@H](C)c1c(F)cccc1Cl ZINC000130412854 325049285 /nfs/dbraw/zinc/04/92/85/325049285.db2.gz GVDLEWKCYSMOMO-IUCAKERBSA-N 0 3 229.726 3.928 20 0 BHADHN CC[C@@H](C)N[C@H](C)c1c(F)cccc1Cl ZINC000130413048 325049620 /nfs/dbraw/zinc/04/96/20/325049620.db2.gz GVDLEWKCYSMOMO-RKDXNWHRSA-N 0 3 229.726 3.928 20 0 BHADHN CC[C@H](C)N[C@H](C)c1c(F)cccc1Cl ZINC000130413263 325049273 /nfs/dbraw/zinc/04/92/73/325049273.db2.gz GVDLEWKCYSMOMO-DTWKUNHWSA-N 0 3 229.726 3.928 20 0 BHADHN c1cc(CN2CCCC3(CCCCC3)C2)ccn1 ZINC000130444128 358625571 /nfs/dbraw/zinc/62/55/71/358625571.db2.gz KEKRQHCUPMKUDA-UHFFFAOYSA-N 0 3 244.382 3.628 20 0 BHADHN CS[C@@H](C)CN[C@@H](C)c1ccc(Cl)s1 ZINC000130466218 385042740 /nfs/dbraw/zinc/04/27/40/385042740.db2.gz LNRFPBVJOJXZBZ-YUMQZZPRSA-N 0 3 249.832 3.804 20 0 BHADHN CS[C@H](C)CN[C@@H](C)c1ccc(Cl)s1 ZINC000130466421 385045199 /nfs/dbraw/zinc/04/51/99/385045199.db2.gz LNRFPBVJOJXZBZ-SFYZADRCSA-N 0 3 249.832 3.804 20 0 BHADHN CS[C@@H](C)CN[C@H](C)c1ccc(Cl)s1 ZINC000130466604 385046141 /nfs/dbraw/zinc/04/61/41/385046141.db2.gz LNRFPBVJOJXZBZ-JGVFFNPUSA-N 0 3 249.832 3.804 20 0 BHADHN CS[C@H](C)CN[C@H](C)c1ccc(Cl)s1 ZINC000130466806 385046007 /nfs/dbraw/zinc/04/60/07/385046007.db2.gz LNRFPBVJOJXZBZ-HTQZYQBOSA-N 0 3 249.832 3.804 20 0 BHADHN CCCCOCCN[C@@H](C)c1cc(C)cc(C)c1 ZINC000130476366 323011183 /nfs/dbraw/zinc/01/11/83/323011183.db2.gz SFYAAFDAYFYJFQ-HNNXBMFYSA-N 0 3 249.398 3.771 20 0 BHADHN CCCCOCCN[C@H](C)c1cc(C)cc(C)c1 ZINC000130476575 325056326 /nfs/dbraw/zinc/05/63/26/325056326.db2.gz SFYAAFDAYFYJFQ-OAHLLOKOSA-N 0 3 249.398 3.771 20 0 BHADHN CCC1(CN[C@@H](C)c2nc(C)sc2C)CC1 ZINC000130499732 491128227 /nfs/dbraw/zinc/12/82/27/491128227.db2.gz UUOBLXHSQFJKLW-VIFPVBQESA-N 0 3 238.400 3.601 20 0 BHADHN CCC1(CN[C@H](C)c2nc(C)sc2C)CC1 ZINC000130499930 491128192 /nfs/dbraw/zinc/12/81/92/491128192.db2.gz UUOBLXHSQFJKLW-SECBINFHSA-N 0 3 238.400 3.601 20 0 BHADHN CCc1ccc([C@@H](C)NCC2(CC)CC2)o1 ZINC000130502425 358630035 /nfs/dbraw/zinc/63/00/35/358630035.db2.gz KLAQOSIWQLYUPE-LLVKDONJSA-N 0 3 221.344 3.683 20 0 BHADHN CCc1ccc([C@H](C)NCC2(CC)CC2)o1 ZINC000130502633 358630002 /nfs/dbraw/zinc/63/00/02/358630002.db2.gz KLAQOSIWQLYUPE-NSHDSACASA-N 0 3 221.344 3.683 20 0 BHADHN Cc1nc([C@@H](C)NCC2(C)CCC2)c(C)s1 ZINC000130525757 490389142 /nfs/dbraw/zinc/38/91/42/490389142.db2.gz XRCKFLSSKHQVJT-SECBINFHSA-N 0 3 238.400 3.601 20 0 BHADHN Cc1nc([C@H](C)NCC2(C)CCC2)c(C)s1 ZINC000130525981 490388962 /nfs/dbraw/zinc/38/89/62/490388962.db2.gz XRCKFLSSKHQVJT-VIFPVBQESA-N 0 3 238.400 3.601 20 0 BHADHN CCc1ccc([C@@H](C)NCC2(C)CCC2)o1 ZINC000130530542 358631038 /nfs/dbraw/zinc/63/10/38/358631038.db2.gz UCWUMUDIKJLWEE-LLVKDONJSA-N 0 3 221.344 3.683 20 0 BHADHN CCc1ccc([C@H](C)NCC2(C)CCC2)o1 ZINC000130530751 358630920 /nfs/dbraw/zinc/63/09/20/358630920.db2.gz UCWUMUDIKJLWEE-NSHDSACASA-N 0 3 221.344 3.683 20 0 BHADHN CC(C)CC(C)(C)CN[C@@H](C)c1cscn1 ZINC000130554639 325066631 /nfs/dbraw/zinc/06/66/31/325066631.db2.gz ASDJKHAHEMVKKP-NSHDSACASA-N 0 3 240.416 3.866 20 0 BHADHN CC(C)CC(C)(C)CN[C@H](C)c1cscn1 ZINC000130554868 325066235 /nfs/dbraw/zinc/06/62/35/325066235.db2.gz ASDJKHAHEMVKKP-LLVKDONJSA-N 0 3 240.416 3.866 20 0 BHADHN CCc1cnc(CN[C@@H](C)CCC(C)C)s1 ZINC000130571986 325067837 /nfs/dbraw/zinc/06/78/37/325067837.db2.gz HTLASSCEZOWXIH-NSHDSACASA-N 0 3 240.416 3.620 20 0 BHADHN CCc1cnc(CN[C@H](C)CCC(C)C)s1 ZINC000130572220 325068077 /nfs/dbraw/zinc/06/80/77/325068077.db2.gz HTLASSCEZOWXIH-LLVKDONJSA-N 0 3 240.416 3.620 20 0 BHADHN Cc1cc(C)cc([C@@H](C)NCCC(F)(F)F)c1 ZINC000130617527 325073048 /nfs/dbraw/zinc/07/30/48/325073048.db2.gz QSEGXVDRGXQFRB-LLVKDONJSA-N 0 3 245.288 3.906 20 0 BHADHN Cc1cc(C)cc([C@H](C)NCCC(F)(F)F)c1 ZINC000130617710 325073292 /nfs/dbraw/zinc/07/32/92/325073292.db2.gz QSEGXVDRGXQFRB-NSHDSACASA-N 0 3 245.288 3.906 20 0 BHADHN CCc1ccc([C@@H](C)NCCC2CCC2)o1 ZINC000130650098 591495461 /nfs/dbraw/zinc/49/54/61/591495461.db2.gz CAVKZFNACGNWBV-LLVKDONJSA-N 0 3 221.344 3.683 20 0 BHADHN CCc1ccc([C@H](C)NCCC2CCC2)o1 ZINC000130650316 591493428 /nfs/dbraw/zinc/49/34/28/591493428.db2.gz CAVKZFNACGNWBV-NSHDSACASA-N 0 3 221.344 3.683 20 0 BHADHN CC(C)CC1(CN[C@@H](C)c2ccoc2)CC1 ZINC000130657385 325077266 /nfs/dbraw/zinc/07/72/66/325077266.db2.gz XJMUVKBEVOAOLP-LBPRGKRZSA-N 0 3 221.344 3.757 20 0 BHADHN CC(C)CC1(CN[C@H](C)c2ccoc2)CC1 ZINC000130657600 325077082 /nfs/dbraw/zinc/07/70/82/325077082.db2.gz XJMUVKBEVOAOLP-GFCCVEGCSA-N 0 3 221.344 3.757 20 0 BHADHN CC(C)CC1(CN[C@@H](C)c2cscn2)CC1 ZINC000130660458 325077827 /nfs/dbraw/zinc/07/78/27/325077827.db2.gz KNVGNWYKICSXEG-NSHDSACASA-N 0 3 238.400 3.620 20 0 BHADHN CC(C)CC1(CN[C@H](C)c2cscn2)CC1 ZINC000130660603 325077592 /nfs/dbraw/zinc/07/75/92/325077592.db2.gz KNVGNWYKICSXEG-LLVKDONJSA-N 0 3 238.400 3.620 20 0 BHADHN CC(C)CC1(CN[C@@H](C)c2cncs2)CC1 ZINC000130661987 358638791 /nfs/dbraw/zinc/63/87/91/358638791.db2.gz OMFAFXYDQZIUBZ-NSHDSACASA-N 0 3 238.400 3.620 20 0 BHADHN CC(C)CC1(CN[C@H](C)c2cncs2)CC1 ZINC000130662208 358638540 /nfs/dbraw/zinc/63/85/40/358638540.db2.gz OMFAFXYDQZIUBZ-LLVKDONJSA-N 0 3 238.400 3.620 20 0 BHADHN Cc1csc(CN[C@@H](C)CCC(C)(C)C)n1 ZINC000130687037 325080195 /nfs/dbraw/zinc/08/01/95/325080195.db2.gz LWUBZJYCYDOPLP-JTQLQIEISA-N 0 3 240.416 3.756 20 0 BHADHN Cc1csc(CN[C@H](C)CCC(C)(C)C)n1 ZINC000130687241 325079786 /nfs/dbraw/zinc/07/97/86/325079786.db2.gz LWUBZJYCYDOPLP-SNVBAGLBSA-N 0 3 240.416 3.756 20 0 BHADHN Cc1nc(CN[C@@H](C)CCC(C)(C)C)cs1 ZINC000130687468 364423419 /nfs/dbraw/zinc/42/34/19/364423419.db2.gz GIDPFEZNAHBCTJ-JTQLQIEISA-N 0 3 240.416 3.756 20 0 BHADHN Cc1nc(CN[C@H](C)CCC(C)(C)C)cs1 ZINC000130687676 364424201 /nfs/dbraw/zinc/42/42/01/364424201.db2.gz GIDPFEZNAHBCTJ-SNVBAGLBSA-N 0 3 240.416 3.756 20 0 BHADHN C[C@@H](CCC(C)(C)C)NCc1ccco1 ZINC000130689675 325080769 /nfs/dbraw/zinc/08/07/69/325080769.db2.gz YJJTZZTWYOWKBG-NSHDSACASA-N 0 3 209.333 3.584 20 0 BHADHN C[C@H](CCC(C)(C)C)NCc1ccco1 ZINC000130689868 325080983 /nfs/dbraw/zinc/08/09/83/325080983.db2.gz YJJTZZTWYOWKBG-LLVKDONJSA-N 0 3 209.333 3.584 20 0 BHADHN C[C@@H](CC1CCC1)NCc1cc(F)ccc1F ZINC000130691368 490447177 /nfs/dbraw/zinc/44/71/77/490447177.db2.gz RAECLWCFSCLXQW-JTQLQIEISA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H](CC1CCC1)NCc1cc(F)ccc1F ZINC000130691532 490446578 /nfs/dbraw/zinc/44/65/78/490446578.db2.gz RAECLWCFSCLXQW-SNVBAGLBSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNCC2(C3CC3)CC2)o1 ZINC000130711380 325081736 /nfs/dbraw/zinc/08/17/36/325081736.db2.gz BFHTUFRLWZKDRM-RISCZKNCSA-N 0 3 245.366 3.683 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNCC2(C3CC3)CC2)o1 ZINC000130711599 325081599 /nfs/dbraw/zinc/08/15/99/325081599.db2.gz BFHTUFRLWZKDRM-FZMZJTMJSA-N 0 3 245.366 3.683 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNCC2(C3CC3)CC2)o1 ZINC000130711834 325081762 /nfs/dbraw/zinc/08/17/62/325081762.db2.gz BFHTUFRLWZKDRM-BXUZGUMPSA-N 0 3 245.366 3.683 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNCC2(C3CC3)CC2)o1 ZINC000130712044 325081718 /nfs/dbraw/zinc/08/17/18/325081718.db2.gz BFHTUFRLWZKDRM-SMDDNHRTSA-N 0 3 245.366 3.683 20 0 BHADHN CSCC[C@H](C)NCc1cc2ccccc2o1 ZINC000130757478 591514581 /nfs/dbraw/zinc/51/45/81/591514581.db2.gz JEMQBQXRQVWTBU-NSHDSACASA-N 0 3 249.379 3.664 20 0 BHADHN CSCC[C@@H](C)NCc1cc2ccccc2o1 ZINC000130757682 591516344 /nfs/dbraw/zinc/51/63/44/591516344.db2.gz JEMQBQXRQVWTBU-LLVKDONJSA-N 0 3 249.379 3.664 20 0 BHADHN CCCC1(CN[C@@H](C)c2ccco2)CCC1 ZINC000130763771 358642491 /nfs/dbraw/zinc/64/24/91/358642491.db2.gz BTJHJWDRQAGCQN-LBPRGKRZSA-N 0 3 221.344 3.901 20 0 BHADHN CCCC1(CN[C@H](C)c2ccco2)CCC1 ZINC000130763976 358642764 /nfs/dbraw/zinc/64/27/64/358642764.db2.gz BTJHJWDRQAGCQN-GFCCVEGCSA-N 0 3 221.344 3.901 20 0 BHADHN CCCC1(CN[C@@H](C)c2cscn2)CCC1 ZINC000130764168 325085031 /nfs/dbraw/zinc/08/50/31/325085031.db2.gz ALDWUNQGJLYTIU-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN CCCC1(CN[C@H](C)c2cscn2)CCC1 ZINC000130764361 325085518 /nfs/dbraw/zinc/08/55/18/325085518.db2.gz ALDWUNQGJLYTIU-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN CCCC1(CN[C@@H](C)c2ccc(C)o2)CC1 ZINC000130776007 358643723 /nfs/dbraw/zinc/64/37/23/358643723.db2.gz OQPAMJWIGHAOGF-LBPRGKRZSA-N 0 3 221.344 3.819 20 0 BHADHN CCCC1(CN[C@H](C)c2ccc(C)o2)CC1 ZINC000130776204 358643779 /nfs/dbraw/zinc/64/37/79/358643779.db2.gz OQPAMJWIGHAOGF-GFCCVEGCSA-N 0 3 221.344 3.819 20 0 BHADHN CCCC1(CN[C@@H](C)c2ccoc2)CC1 ZINC000130780189 325087165 /nfs/dbraw/zinc/08/71/65/325087165.db2.gz BCLKQNBSAHPPSH-NSHDSACASA-N 0 3 207.317 3.511 20 0 BHADHN CCCC1(CN[C@H](C)c2ccoc2)CC1 ZINC000130780409 325087520 /nfs/dbraw/zinc/08/75/20/325087520.db2.gz BCLKQNBSAHPPSH-LLVKDONJSA-N 0 3 207.317 3.511 20 0 BHADHN Cc1ccc([C@@H](C)N(C)Cc2ccn(C)c2)cc1 ZINC000130802100 325090467 /nfs/dbraw/zinc/09/04/67/325090467.db2.gz RXPVOLXMXCVEOX-CQSZACIVSA-N 0 3 242.366 3.527 20 0 BHADHN Cc1ccc([C@H](C)N(C)Cc2ccn(C)c2)cc1 ZINC000130802326 325090423 /nfs/dbraw/zinc/09/04/23/325090423.db2.gz RXPVOLXMXCVEOX-AWEZNQCLSA-N 0 3 242.366 3.527 20 0 BHADHN Cc1ccc([C@@H](C)N(C)Cc2cccn2C)cc1 ZINC000130818455 325091520 /nfs/dbraw/zinc/09/15/20/325091520.db2.gz JXJCLWGLSZTLMS-CQSZACIVSA-N 0 3 242.366 3.527 20 0 BHADHN Cc1ccc([C@H](C)N(C)Cc2cccn2C)cc1 ZINC000130818650 325091710 /nfs/dbraw/zinc/09/17/10/325091710.db2.gz JXJCLWGLSZTLMS-AWEZNQCLSA-N 0 3 242.366 3.527 20 0 BHADHN COCc1ccc([C@H]2CCCN2CC=C(C)C)o1 ZINC000130822605 358648859 /nfs/dbraw/zinc/64/88/59/358648859.db2.gz MKYSEUGTDFXYMK-CQSZACIVSA-N 0 3 249.354 3.529 20 0 BHADHN COCc1ccc([C@@H]2CCCN2CC=C(C)C)o1 ZINC000130822858 358649273 /nfs/dbraw/zinc/64/92/73/358649273.db2.gz MKYSEUGTDFXYMK-AWEZNQCLSA-N 0 3 249.354 3.529 20 0 BHADHN CC(C)OCCN[C@H](C)c1ccc(C(C)C)cc1 ZINC000130911924 325101929 /nfs/dbraw/zinc/10/19/29/325101929.db2.gz OLVXUIIYVIEZQX-CQSZACIVSA-N 0 3 249.398 3.886 20 0 BHADHN CC(C)OCCN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000130912151 325101902 /nfs/dbraw/zinc/10/19/02/325101902.db2.gz OLVXUIIYVIEZQX-AWEZNQCLSA-N 0 3 249.398 3.886 20 0 BHADHN C[C@H](NCCC1=CCCCC1)c1cncs1 ZINC000130918112 385294180 /nfs/dbraw/zinc/29/41/80/385294180.db2.gz IPZYFSGNONOZGQ-NSHDSACASA-N 0 3 236.384 3.684 20 0 BHADHN C[C@@H](NCCC1=CCCCC1)c1cncs1 ZINC000130918332 385294207 /nfs/dbraw/zinc/29/42/07/385294207.db2.gz IPZYFSGNONOZGQ-LLVKDONJSA-N 0 3 236.384 3.684 20 0 BHADHN CC(C)OCCN[C@@H](C)c1cc2ccccc2o1 ZINC000130932861 167243472 /nfs/dbraw/zinc/24/34/72/167243472.db2.gz HHHFQGGTCSLFID-LBPRGKRZSA-N 0 3 247.338 3.508 20 0 BHADHN CC(C)OCCN[C@H](C)c1cc2ccccc2o1 ZINC000130933050 167244385 /nfs/dbraw/zinc/24/43/85/167244385.db2.gz HHHFQGGTCSLFID-GFCCVEGCSA-N 0 3 247.338 3.508 20 0 BHADHN C[C@H](NCCC1=CCCCC1)c1cncc(F)c1 ZINC000130937199 385297725 /nfs/dbraw/zinc/29/77/25/385297725.db2.gz LFRLUZGKZCGURD-LBPRGKRZSA-N 0 3 248.345 3.762 20 0 BHADHN C[C@@H](NCCC1=CCCCC1)c1cncc(F)c1 ZINC000130937407 175872685 /nfs/dbraw/zinc/87/26/85/175872685.db2.gz LFRLUZGKZCGURD-GFCCVEGCSA-N 0 3 248.345 3.762 20 0 BHADHN Cc1ccc(CNCCCCc2ccccc2)o1 ZINC000131015096 490468517 /nfs/dbraw/zinc/46/85/17/490468517.db2.gz HSCXUXGPFNYUHB-UHFFFAOYSA-N 0 3 243.350 3.701 20 0 BHADHN C[C@H](NC1CC=CC1)c1ccccc1Cl ZINC000131033437 490468742 /nfs/dbraw/zinc/46/87/42/490468742.db2.gz UIGUIFIZCWBCRI-JTQLQIEISA-N 0 3 221.731 3.709 20 0 BHADHN C[C@@H](NC1CC=CC1)c1ccccc1Cl ZINC000131033631 490468888 /nfs/dbraw/zinc/46/88/88/490468888.db2.gz UIGUIFIZCWBCRI-SNVBAGLBSA-N 0 3 221.731 3.709 20 0 BHADHN Cc1cccc([C@@H](C)NCc2cncc(C)c2)c1 ZINC000131102563 325116167 /nfs/dbraw/zinc/11/61/67/325116167.db2.gz UVULMJYBLHNCPU-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc([C@H](C)NCc2cncc(C)c2)c1 ZINC000131102774 325115861 /nfs/dbraw/zinc/11/58/61/325115861.db2.gz UVULMJYBLHNCPU-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN CCC[C@@H](C)NCc1cccc(Cl)c1F ZINC000131118263 491133386 /nfs/dbraw/zinc/13/33/86/491133386.db2.gz KKGTVQYIBWCZSC-SECBINFHSA-N 0 3 229.726 3.757 20 0 BHADHN CCC[C@H](C)NCc1cccc(Cl)c1F ZINC000131118440 491133391 /nfs/dbraw/zinc/13/33/91/491133391.db2.gz KKGTVQYIBWCZSC-VIFPVBQESA-N 0 3 229.726 3.757 20 0 BHADHN CCC(CC)NCc1cccc(Cl)c1F ZINC000131118716 325118658 /nfs/dbraw/zinc/11/86/58/325118658.db2.gz LWRIVSUJUITAQQ-UHFFFAOYSA-N 0 3 229.726 3.757 20 0 BHADHN CC[C@H](NCc1cncc(C)c1)c1ccccc1 ZINC000131119806 385310518 /nfs/dbraw/zinc/31/05/18/385310518.db2.gz MFCLOSFLQULCMX-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1cncc(C)c1)c1ccccc1 ZINC000131119998 345293457 /nfs/dbraw/zinc/29/34/57/345293457.db2.gz MFCLOSFLQULCMX-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN Fc1c(Cl)cccc1CNCC1CCCC1 ZINC000131120879 325119466 /nfs/dbraw/zinc/11/94/66/325119466.db2.gz ALDNFMCESBIOMF-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN Cc1cncc(CN[C@H](C)c2ccccc2C)c1 ZINC000131124132 385311361 /nfs/dbraw/zinc/31/13/61/385311361.db2.gz QRGLCBQFFBBTDI-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN C[C@@H](CNCc1cccc(Cl)c1F)C1CC1 ZINC000131124215 490619138 /nfs/dbraw/zinc/61/91/38/490619138.db2.gz JAPAOIDNSZMZLE-VIFPVBQESA-N 0 3 241.737 3.615 20 0 BHADHN Cc1cncc(CN[C@@H](C)c2ccccc2C)c1 ZINC000131124349 385309689 /nfs/dbraw/zinc/30/96/89/385309689.db2.gz QRGLCBQFFBBTDI-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN C[C@H](CNCc1cccc(Cl)c1F)C1CC1 ZINC000131124419 490618710 /nfs/dbraw/zinc/61/87/10/490618710.db2.gz JAPAOIDNSZMZLE-SECBINFHSA-N 0 3 241.737 3.615 20 0 BHADHN CC1(NCc2cccc(Cl)c2F)CCCC1 ZINC000131126880 325120075 /nfs/dbraw/zinc/12/00/75/325120075.db2.gz ZOKVOZVPICBAQS-UHFFFAOYSA-N 0 3 241.737 3.901 20 0 BHADHN C[C@@H](CC1CC1)NCc1cccc(Cl)c1F ZINC000131132148 325120787 /nfs/dbraw/zinc/12/07/87/325120787.db2.gz IIJUFZYUOXZOOC-VIFPVBQESA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H](CC1CC1)NCc1cccc(Cl)c1F ZINC000131132359 325120998 /nfs/dbraw/zinc/12/09/98/325120998.db2.gz IIJUFZYUOXZOOC-SECBINFHSA-N 0 3 241.737 3.757 20 0 BHADHN Fc1c(Cl)cccc1CNCCCC1CC1 ZINC000131136351 325120945 /nfs/dbraw/zinc/12/09/45/325120945.db2.gz CTAVUTBSVRGIDS-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN Fc1c(Cl)cccc1CN[C@H]1CC=CCC1 ZINC000131136927 323012500 /nfs/dbraw/zinc/01/25/00/323012500.db2.gz YLOSZRILPXNITO-NSHDSACASA-N 0 3 239.721 3.677 20 0 BHADHN Fc1c(Cl)cccc1CN[C@@H]1CC=CCC1 ZINC000131137124 325120929 /nfs/dbraw/zinc/12/09/29/325120929.db2.gz YLOSZRILPXNITO-LLVKDONJSA-N 0 3 239.721 3.677 20 0 BHADHN CCC1(NCc2cccc(Cl)c2F)CCC1 ZINC000131143578 325121698 /nfs/dbraw/zinc/12/16/98/325121698.db2.gz VKIFBZOIWADKNY-UHFFFAOYSA-N 0 3 241.737 3.901 20 0 BHADHN Fc1c(Cl)cccc1CNCCC1CCC1 ZINC000131169676 591565050 /nfs/dbraw/zinc/56/50/50/591565050.db2.gz HTEFJBCFLWQTIR-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN Clc1ccc(CNC2CC=CC2)c(Cl)c1 ZINC000131198426 490623789 /nfs/dbraw/zinc/62/37/89/490623789.db2.gz KOTPECUOXRCRHD-UHFFFAOYSA-N 0 3 242.149 3.802 20 0 BHADHN Clc1cccc(CNC2CC=CC2)c1Cl ZINC000131198629 490623978 /nfs/dbraw/zinc/62/39/78/490623978.db2.gz RDHVAFHATAHOLQ-UHFFFAOYSA-N 0 3 242.149 3.802 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)CC1CCC1 ZINC000131228355 490628124 /nfs/dbraw/zinc/62/81/24/490628124.db2.gz GTIYXSXXTVTKBD-VHSXEESVSA-N 0 3 236.359 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@@H](C)CC1CCC1 ZINC000131228591 490628594 /nfs/dbraw/zinc/62/85/94/490628594.db2.gz GTIYXSXXTVTKBD-UWVGGRQHSA-N 0 3 236.359 3.521 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@H](C)CC1CCC1 ZINC000131228800 490628808 /nfs/dbraw/zinc/62/88/08/490628808.db2.gz GTIYXSXXTVTKBD-NXEZZACHSA-N 0 3 236.359 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@H](C)CC1CCC1 ZINC000131229001 490628486 /nfs/dbraw/zinc/62/84/86/490628486.db2.gz GTIYXSXXTVTKBD-ZJUUUORDSA-N 0 3 236.359 3.521 20 0 BHADHN Cc1ccc(CN(C)CCCCC(F)(F)F)o1 ZINC000131238113 385322018 /nfs/dbraw/zinc/32/20/18/385322018.db2.gz KOZVWEINCLEYII-UHFFFAOYSA-N 0 3 249.276 3.752 20 0 BHADHN CCCC(C)(C)NCc1ccc(CC)o1 ZINC000131255887 325130566 /nfs/dbraw/zinc/13/05/66/325130566.db2.gz IQENLHYVXWNHFI-UHFFFAOYSA-N 0 3 209.333 3.510 20 0 BHADHN CCc1ccc([C@@H](C)N[C@@H](C)CC(C)C)o1 ZINC000131270301 325133468 /nfs/dbraw/zinc/13/34/68/325133468.db2.gz GCNLMOZNWZNHNY-NWDGAFQWSA-N 0 3 223.360 3.927 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H](C)CC(C)C)o1 ZINC000131270490 323012805 /nfs/dbraw/zinc/01/28/05/323012805.db2.gz GCNLMOZNWZNHNY-RYUDHWBXSA-N 0 3 223.360 3.927 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H](C)CC(C)C)o1 ZINC000131270666 323012714 /nfs/dbraw/zinc/01/27/14/323012714.db2.gz GCNLMOZNWZNHNY-VXGBXAGGSA-N 0 3 223.360 3.927 20 0 BHADHN CCc1ccc([C@H](C)N[C@H](C)CC(C)C)o1 ZINC000131270864 325133286 /nfs/dbraw/zinc/13/32/86/325133286.db2.gz GCNLMOZNWZNHNY-NEPJUHHUSA-N 0 3 223.360 3.927 20 0 BHADHN CCOc1cc(Cl)ccc1CN[C@H](C)CC ZINC000131302618 325135477 /nfs/dbraw/zinc/13/54/77/325135477.db2.gz MXIBGHAUXKPNRI-SNVBAGLBSA-N 0 3 241.762 3.627 20 0 BHADHN CCOc1cc(Cl)ccc1CN[C@@H](C)CC ZINC000131302808 325135883 /nfs/dbraw/zinc/13/58/83/325135883.db2.gz MXIBGHAUXKPNRI-JTQLQIEISA-N 0 3 241.762 3.627 20 0 BHADHN C[C@@H]1CCCCN1CCCCC(F)(F)F ZINC000131307222 325135693 /nfs/dbraw/zinc/13/56/93/325135693.db2.gz NOHFFNZQAUUGAQ-SNVBAGLBSA-N 0 3 223.282 3.593 20 0 BHADHN C[C@H]1CCCCN1CCCCC(F)(F)F ZINC000131307445 325135810 /nfs/dbraw/zinc/13/58/10/325135810.db2.gz NOHFFNZQAUUGAQ-JTQLQIEISA-N 0 3 223.282 3.593 20 0 BHADHN c1ccc2c(c1)nccc2N1CCC2(CCC2)C1 ZINC000131413410 325147044 /nfs/dbraw/zinc/14/70/44/325147044.db2.gz OBUDVEAEORSMPR-UHFFFAOYSA-N 0 3 238.334 3.615 20 0 BHADHN CC(C)CSCCCN[C@@H](C)c1ccoc1 ZINC000131522400 325160916 /nfs/dbraw/zinc/16/09/16/325160916.db2.gz DDBNCJLFMCJDGT-LBPRGKRZSA-N 0 3 241.400 3.710 20 0 BHADHN CC(C)CSCCCN[C@H](C)c1ccoc1 ZINC000131522603 325161172 /nfs/dbraw/zinc/16/11/72/325161172.db2.gz DDBNCJLFMCJDGT-GFCCVEGCSA-N 0 3 241.400 3.710 20 0 BHADHN Cc1ccc([C@@H](C)NCCSCC(C)C)o1 ZINC000131529039 191014049 /nfs/dbraw/zinc/01/40/49/191014049.db2.gz IARCVUKXMZXYAT-GFCCVEGCSA-N 0 3 241.400 3.628 20 0 BHADHN Cc1ccc([C@H](C)NCCSCC(C)C)o1 ZINC000131529273 191014440 /nfs/dbraw/zinc/01/44/40/191014440.db2.gz IARCVUKXMZXYAT-LBPRGKRZSA-N 0 3 241.400 3.628 20 0 BHADHN CC(C)CSCCN[C@@H](C)c1ccsc1 ZINC000131543664 344233221 /nfs/dbraw/zinc/23/32/21/344233221.db2.gz GBOXSKDZCLXIJB-NSHDSACASA-N 0 3 243.441 3.788 20 0 BHADHN CC(C)CSCCN[C@H](C)c1ccsc1 ZINC000131543854 344232812 /nfs/dbraw/zinc/23/28/12/344232812.db2.gz GBOXSKDZCLXIJB-LLVKDONJSA-N 0 3 243.441 3.788 20 0 BHADHN CSC[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000131586512 385345024 /nfs/dbraw/zinc/34/50/24/385345024.db2.gz HUBRASYZPPVELE-QWRGUYRKSA-N 0 3 249.379 3.835 20 0 BHADHN CSC[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000131586715 385344386 /nfs/dbraw/zinc/34/43/86/385344386.db2.gz HUBRASYZPPVELE-MNOVXSKESA-N 0 3 249.379 3.835 20 0 BHADHN CSC[C@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000131586891 385344047 /nfs/dbraw/zinc/34/40/47/385344047.db2.gz HUBRASYZPPVELE-WDEREUQCSA-N 0 3 249.379 3.835 20 0 BHADHN CSC[C@@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000131587101 385343823 /nfs/dbraw/zinc/34/38/23/385343823.db2.gz HUBRASYZPPVELE-GHMZBOCLSA-N 0 3 249.379 3.835 20 0 BHADHN CCCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000131665688 169277154 /nfs/dbraw/zinc/27/71/54/169277154.db2.gz NOZKEWMWNLOAHH-NSHDSACASA-N 0 3 246.379 3.871 20 0 BHADHN CCCN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000131665924 169288361 /nfs/dbraw/zinc/28/83/61/169288361.db2.gz NOZKEWMWNLOAHH-LLVKDONJSA-N 0 3 246.379 3.871 20 0 BHADHN CN(CCc1ccccc1F)Cc1ccsc1 ZINC000131800870 490657710 /nfs/dbraw/zinc/65/77/10/490657710.db2.gz JKSWDRUYSDCLSI-UHFFFAOYSA-N 0 3 249.354 3.562 20 0 BHADHN C[C@H](NCCCc1cccs1)c1ccoc1 ZINC000131888842 325189537 /nfs/dbraw/zinc/18/95/37/325189537.db2.gz UKOLXGAHLNYCAF-NSHDSACASA-N 0 3 235.352 3.625 20 0 BHADHN C[C@@H](NCCCc1cccs1)c1ccoc1 ZINC000131889096 325189589 /nfs/dbraw/zinc/18/95/89/325189589.db2.gz UKOLXGAHLNYCAF-LLVKDONJSA-N 0 3 235.352 3.625 20 0 BHADHN C[C@H](NCCCc1cccs1)c1ccco1 ZINC000131893990 325189842 /nfs/dbraw/zinc/18/98/42/325189842.db2.gz RUXJUMGKTJBLIR-NSHDSACASA-N 0 3 235.352 3.625 20 0 BHADHN C[C@@H](NCCCc1cccs1)c1ccco1 ZINC000131894202 325189496 /nfs/dbraw/zinc/18/94/96/325189496.db2.gz RUXJUMGKTJBLIR-LLVKDONJSA-N 0 3 235.352 3.625 20 0 BHADHN Cc1ccsc1CCN[C@@H](C)c1ccco1 ZINC000131983466 384209899 /nfs/dbraw/zinc/20/98/99/384209899.db2.gz ZCVYBGKXNUHXPW-NSHDSACASA-N 0 3 235.352 3.543 20 0 BHADHN Cc1ccsc1CCN[C@H](C)c1ccco1 ZINC000131983642 358702613 /nfs/dbraw/zinc/70/26/13/358702613.db2.gz ZCVYBGKXNUHXPW-LLVKDONJSA-N 0 3 235.352 3.543 20 0 BHADHN Cc1ccsc1CCN[C@@H](C)c1ccoc1 ZINC000131989350 325193904 /nfs/dbraw/zinc/19/39/04/325193904.db2.gz KDLDEJXGQJVPQX-NSHDSACASA-N 0 3 235.352 3.543 20 0 BHADHN Cc1ccsc1CCN[C@H](C)c1ccoc1 ZINC000131989559 325193982 /nfs/dbraw/zinc/19/39/82/325193982.db2.gz KDLDEJXGQJVPQX-LLVKDONJSA-N 0 3 235.352 3.543 20 0 BHADHN CCN(Cc1ccccc1)[C@@H](C)c1ccccn1 ZINC000132099112 325199274 /nfs/dbraw/zinc/19/92/74/325199274.db2.gz NOCXPBXICIYQCF-AWEZNQCLSA-N 0 3 240.350 3.665 20 0 BHADHN CCN(Cc1ccccc1)[C@H](C)c1ccccn1 ZINC000132099306 324113822 /nfs/dbraw/zinc/11/38/22/324113822.db2.gz NOCXPBXICIYQCF-CQSZACIVSA-N 0 3 240.350 3.665 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H](C)CC2CCC2)o1 ZINC000132168982 491134543 /nfs/dbraw/zinc/13/45/43/491134543.db2.gz LQPAMJMUKSZJCP-CMPLNLGQSA-N 0 3 221.344 3.817 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H](C)CC2CCC2)o1 ZINC000132169214 491134582 /nfs/dbraw/zinc/13/45/82/491134582.db2.gz LQPAMJMUKSZJCP-JQWIXIFHSA-N 0 3 221.344 3.817 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)CC2CCC2)o1 ZINC000132169402 491134563 /nfs/dbraw/zinc/13/45/63/491134563.db2.gz LQPAMJMUKSZJCP-ZYHUDNBSSA-N 0 3 221.344 3.817 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)CC2CCC2)o1 ZINC000132169584 491134574 /nfs/dbraw/zinc/13/45/74/491134574.db2.gz LQPAMJMUKSZJCP-PWSUYJOCSA-N 0 3 221.344 3.817 20 0 BHADHN C[C@@H](CC1CCC1)N[C@@H](C)c1ccco1 ZINC000132226442 491134715 /nfs/dbraw/zinc/13/47/15/491134715.db2.gz SUMFWHQGUBKHNT-QWRGUYRKSA-N 0 3 207.317 3.509 20 0 BHADHN C[C@H](CC1CCC1)N[C@@H](C)c1ccco1 ZINC000132226628 491134731 /nfs/dbraw/zinc/13/47/31/491134731.db2.gz SUMFWHQGUBKHNT-MNOVXSKESA-N 0 3 207.317 3.509 20 0 BHADHN C[C@@H](N[C@@H](C)CC1CCC1)c1ccco1 ZINC000132226832 491134705 /nfs/dbraw/zinc/13/47/05/491134705.db2.gz SUMFWHQGUBKHNT-WDEREUQCSA-N 0 3 207.317 3.509 20 0 BHADHN C[C@H](CC1CCC1)N[C@H](C)c1ccco1 ZINC000132227020 491134757 /nfs/dbraw/zinc/13/47/57/491134757.db2.gz SUMFWHQGUBKHNT-GHMZBOCLSA-N 0 3 207.317 3.509 20 0 BHADHN Cc1ccc([C@@H](C)NCCCC(F)(F)F)o1 ZINC000132350239 384227906 /nfs/dbraw/zinc/22/79/06/384227906.db2.gz YSUHHQYQCKACTI-SECBINFHSA-N 0 3 235.249 3.581 20 0 BHADHN Cc1ccc([C@H](C)NCCCC(F)(F)F)o1 ZINC000132350432 178888939 /nfs/dbraw/zinc/88/89/39/178888939.db2.gz YSUHHQYQCKACTI-VIFPVBQESA-N 0 3 235.249 3.581 20 0 BHADHN CCc1ccc([C@@H](C)N[C@@H](CC)CSC)o1 ZINC000132366600 191030366 /nfs/dbraw/zinc/03/03/66/191030366.db2.gz LOUAYRLREVXINX-MNOVXSKESA-N 0 3 241.400 3.634 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H](CC)CSC)o1 ZINC000132366776 191031048 /nfs/dbraw/zinc/03/10/48/191031048.db2.gz LOUAYRLREVXINX-QWRGUYRKSA-N 0 3 241.400 3.634 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H](CC)CSC)o1 ZINC000132366962 191030296 /nfs/dbraw/zinc/03/02/96/191030296.db2.gz LOUAYRLREVXINX-GHMZBOCLSA-N 0 3 241.400 3.634 20 0 BHADHN CCc1ccc([C@H](C)N[C@H](CC)CSC)o1 ZINC000132367157 191030552 /nfs/dbraw/zinc/03/05/52/191030552.db2.gz LOUAYRLREVXINX-WDEREUQCSA-N 0 3 241.400 3.634 20 0 BHADHN CCC[C@H](NC(C)C)c1ccc(F)cc1F ZINC000132398787 358721422 /nfs/dbraw/zinc/72/14/22/358721422.db2.gz KZOJDNKXFBAHDP-ZDUSSCGKSA-N 0 3 227.298 3.804 20 0 BHADHN CCC[C@@H](NC(C)C)c1ccc(F)cc1F ZINC000132398988 358721528 /nfs/dbraw/zinc/72/15/28/358721528.db2.gz KZOJDNKXFBAHDP-CYBMUJFWSA-N 0 3 227.298 3.804 20 0 BHADHN CC(C)CCN[C@@H](C)c1cccc(F)c1F ZINC000132399943 191031963 /nfs/dbraw/zinc/03/19/63/191031963.db2.gz AQHVJICVIQCCCZ-JTQLQIEISA-N 0 3 227.298 3.662 20 0 BHADHN CC(C)CCN[C@H](C)c1cccc(F)c1F ZINC000132400136 191032231 /nfs/dbraw/zinc/03/22/31/191032231.db2.gz AQHVJICVIQCCCZ-SNVBAGLBSA-N 0 3 227.298 3.662 20 0 BHADHN CCCCCN[C@@H](C)c1cccc(F)c1F ZINC000132401194 191031878 /nfs/dbraw/zinc/03/18/78/191031878.db2.gz DYSSNUNAYCKNAJ-JTQLQIEISA-N 0 3 227.298 3.806 20 0 BHADHN CCCCCN[C@H](C)c1cccc(F)c1F ZINC000132401360 191031243 /nfs/dbraw/zinc/03/12/43/191031243.db2.gz DYSSNUNAYCKNAJ-SNVBAGLBSA-N 0 3 227.298 3.806 20 0 BHADHN C[C@@H](Cc1ccccc1F)N[C@@H](C)c1ccco1 ZINC000132403902 191031784 /nfs/dbraw/zinc/03/17/84/191031784.db2.gz PVNMHJJGZGKRLB-RYUDHWBXSA-N 0 3 247.313 3.701 20 0 BHADHN C[C@H](Cc1ccccc1F)N[C@@H](C)c1ccco1 ZINC000132404106 191031235 /nfs/dbraw/zinc/03/12/35/191031235.db2.gz PVNMHJJGZGKRLB-NEPJUHHUSA-N 0 3 247.313 3.701 20 0 BHADHN C[C@@H](N[C@@H](C)Cc1ccccc1F)c1ccco1 ZINC000132404290 191032346 /nfs/dbraw/zinc/03/23/46/191032346.db2.gz PVNMHJJGZGKRLB-NWDGAFQWSA-N 0 3 247.313 3.701 20 0 BHADHN C[C@H](Cc1ccccc1F)N[C@H](C)c1ccco1 ZINC000132404486 191032026 /nfs/dbraw/zinc/03/20/26/191032026.db2.gz PVNMHJJGZGKRLB-VXGBXAGGSA-N 0 3 247.313 3.701 20 0 BHADHN Cc1ccsc1[C@@H](C)NCc1ccoc1 ZINC000132526179 384194083 /nfs/dbraw/zinc/19/40/83/384194083.db2.gz ROLZVVXNUBIUEJ-SNVBAGLBSA-N 0 3 221.325 3.500 20 0 BHADHN Cc1ccsc1[C@H](C)NCc1ccoc1 ZINC000132526369 384194584 /nfs/dbraw/zinc/19/45/84/384194584.db2.gz ROLZVVXNUBIUEJ-JTQLQIEISA-N 0 3 221.325 3.500 20 0 BHADHN Clc1cccc(Cl)c1CNC1CC=CC1 ZINC000132600045 412121523 /nfs/dbraw/zinc/12/15/23/412121523.db2.gz OEYUKHXDQAJZDI-UHFFFAOYSA-N 0 3 242.149 3.802 20 0 BHADHN C[C@H](NC1CC1)c1cccc(Cl)c1Cl ZINC000132648596 191033830 /nfs/dbraw/zinc/03/38/30/191033830.db2.gz RUATUXWBLAJVIV-ZETCQYMHSA-N 0 3 230.138 3.806 20 0 BHADHN C[C@@H](NC1CC1)c1cccc(Cl)c1Cl ZINC000132648774 191034119 /nfs/dbraw/zinc/03/41/19/191034119.db2.gz RUATUXWBLAJVIV-SSDOTTSWSA-N 0 3 230.138 3.806 20 0 BHADHN C[C@H](NC1CC1)c1cc2cc(Cl)ccc2o1 ZINC000132650967 191034601 /nfs/dbraw/zinc/03/46/01/191034601.db2.gz WTIKYVIGLBQROR-QMMMGPOBSA-N 0 3 235.714 3.899 20 0 BHADHN C[C@@H](NC1CC1)c1cc2cc(Cl)ccc2o1 ZINC000132651171 191034583 /nfs/dbraw/zinc/03/45/83/191034583.db2.gz WTIKYVIGLBQROR-MRVPVSSYSA-N 0 3 235.714 3.899 20 0 BHADHN CC[C@H](NC1CC1)c1cc(Cl)ccc1OC ZINC000132658660 191033784 /nfs/dbraw/zinc/03/37/84/191033784.db2.gz ZWQSCCOCRFZQTE-LBPRGKRZSA-N 0 3 239.746 3.552 20 0 BHADHN CC[C@@H](NC1CC1)c1cc(Cl)ccc1OC ZINC000132658870 191034291 /nfs/dbraw/zinc/03/42/91/191034291.db2.gz ZWQSCCOCRFZQTE-GFCCVEGCSA-N 0 3 239.746 3.552 20 0 BHADHN Cc1cc2cc([C@@H](C)NC3CC3)oc2cc1C ZINC000132660953 325233584 /nfs/dbraw/zinc/23/35/84/325233584.db2.gz WMXQQZKZLBELFE-LLVKDONJSA-N 0 3 229.323 3.863 20 0 BHADHN Cc1cc2cc([C@H](C)NC3CC3)oc2cc1C ZINC000132661186 325233761 /nfs/dbraw/zinc/23/37/61/325233761.db2.gz WMXQQZKZLBELFE-NSHDSACASA-N 0 3 229.323 3.863 20 0 BHADHN CCOc1ccc(Cl)cc1[C@@H](C)NC1CC1 ZINC000132687648 384200391 /nfs/dbraw/zinc/20/03/91/384200391.db2.gz JAEPNDXZATZOCE-SECBINFHSA-N 0 3 239.746 3.552 20 0 BHADHN CCOc1ccc(Cl)cc1[C@H](C)NC1CC1 ZINC000132687847 384199667 /nfs/dbraw/zinc/19/96/67/384199667.db2.gz JAEPNDXZATZOCE-VIFPVBQESA-N 0 3 239.746 3.552 20 0 BHADHN CCSc1ccccc1[C@@H](C)NC1CC1 ZINC000132688948 529257377 /nfs/dbraw/zinc/25/73/77/529257377.db2.gz CVAABVSOJBPOJG-SNVBAGLBSA-N 0 3 221.369 3.612 20 0 BHADHN CCSc1ccccc1[C@H](C)NC1CC1 ZINC000132689158 384201229 /nfs/dbraw/zinc/20/12/29/384201229.db2.gz CVAABVSOJBPOJG-JTQLQIEISA-N 0 3 221.369 3.612 20 0 BHADHN COC(C)(C)CN[C@@H](C)c1cc2ccccc2o1 ZINC000132747584 358735435 /nfs/dbraw/zinc/73/54/35/358735435.db2.gz NAPSFZPLSVXWON-NSHDSACASA-N 0 3 247.338 3.508 20 0 BHADHN COC(C)(C)CN[C@H](C)c1cc2ccccc2o1 ZINC000132747793 358735177 /nfs/dbraw/zinc/73/51/77/358735177.db2.gz NAPSFZPLSVXWON-LLVKDONJSA-N 0 3 247.338 3.508 20 0 BHADHN C[C@@H](c1ccccc1)N1CCc2ccsc2C1 ZINC000132755334 325243735 /nfs/dbraw/zinc/24/37/35/325243735.db2.gz SQOKEJXDERMGCL-LBPRGKRZSA-N 0 3 243.375 3.867 20 0 BHADHN C[C@H](c1ccccc1)N1CCc2ccsc2C1 ZINC000132755525 325243600 /nfs/dbraw/zinc/24/36/00/325243600.db2.gz SQOKEJXDERMGCL-GFCCVEGCSA-N 0 3 243.375 3.867 20 0 BHADHN Cc1ccc(CN2CCC3(CCCC3)CC2)nc1 ZINC000132760789 358736216 /nfs/dbraw/zinc/73/62/16/358736216.db2.gz NXMCQOGWLHQNKF-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN C[C@H](NC[C@H]1C[C@H]1C)c1ccc(F)cc1Cl ZINC000132761548 191035157 /nfs/dbraw/zinc/03/51/57/191035157.db2.gz XUYAXOSCVYRBJF-KXUCPTDWSA-N 0 3 241.737 3.786 20 0 BHADHN C[C@H](NC[C@H]1C[C@@H]1C)c1ccc(F)cc1Cl ZINC000132761747 384204490 /nfs/dbraw/zinc/20/44/90/384204490.db2.gz XUYAXOSCVYRBJF-LPEHRKFASA-N 0 3 241.737 3.786 20 0 BHADHN C[C@H](NC[C@@H]1C[C@H]1C)c1ccc(F)cc1Cl ZINC000132761935 384204953 /nfs/dbraw/zinc/20/49/53/384204953.db2.gz XUYAXOSCVYRBJF-UTLUCORTSA-N 0 3 241.737 3.786 20 0 BHADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1ccc(F)cc1Cl ZINC000132762110 384204082 /nfs/dbraw/zinc/20/40/82/384204082.db2.gz XUYAXOSCVYRBJF-GUBZILKMSA-N 0 3 241.737 3.786 20 0 BHADHN C[C@H](NC1CC1)c1cc(Cl)cc(Cl)c1 ZINC000132793936 191035591 /nfs/dbraw/zinc/03/55/91/191035591.db2.gz QEVRUIQWVWFNQE-ZETCQYMHSA-N 0 3 230.138 3.806 20 0 BHADHN C[C@@H](NC1CC1)c1cc(Cl)cc(Cl)c1 ZINC000132794180 191035484 /nfs/dbraw/zinc/03/54/84/191035484.db2.gz QEVRUIQWVWFNQE-SSDOTTSWSA-N 0 3 230.138 3.806 20 0 BHADHN C[C@H](NC1CC1)c1ccc(-c2ccccc2)o1 ZINC000132799363 323129983 /nfs/dbraw/zinc/12/99/83/323129983.db2.gz RAQQAPGUZSOSNO-NSHDSACASA-N 0 3 227.307 3.760 20 0 BHADHN C[C@@H](NC1CC1)c1ccc(-c2ccccc2)o1 ZINC000132799584 325246532 /nfs/dbraw/zinc/24/65/32/325246532.db2.gz RAQQAPGUZSOSNO-LLVKDONJSA-N 0 3 227.307 3.760 20 0 BHADHN Clc1ccc2c(c1Cl)CC[C@H]2NC1CC1 ZINC000132816619 191035165 /nfs/dbraw/zinc/03/51/65/191035165.db2.gz HHMRUZZEVAYXFU-LLVKDONJSA-N 0 3 242.149 3.733 20 0 BHADHN Clc1ccc2c(c1Cl)CC[C@@H]2NC1CC1 ZINC000132816839 191035554 /nfs/dbraw/zinc/03/55/54/191035554.db2.gz HHMRUZZEVAYXFU-NSHDSACASA-N 0 3 242.149 3.733 20 0 BHADHN C[C@H](NCc1ccccc1Cl)C(C)(C)C ZINC000132848673 388370519 /nfs/dbraw/zinc/37/05/19/388370519.db2.gz CDZDEAFVLKWIAB-JTQLQIEISA-N 0 3 225.763 3.864 20 0 BHADHN C[C@@H](NCc1ccccc1Cl)C(C)(C)C ZINC000132848890 388370711 /nfs/dbraw/zinc/37/07/11/388370711.db2.gz CDZDEAFVLKWIAB-SNVBAGLBSA-N 0 3 225.763 3.864 20 0 BHADHN CCCCCNCc1c(Cl)cccc1OC ZINC000132926084 384214196 /nfs/dbraw/zinc/21/41/96/384214196.db2.gz UNWLKPJVOPQVFG-UHFFFAOYSA-N 0 3 241.762 3.628 20 0 BHADHN C[C@H](CNCc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000133012503 371967940 /nfs/dbraw/zinc/96/79/40/371967940.db2.gz HQGBYLDKWFRWNA-GYSYKLTISA-N 0 3 233.355 3.539 20 0 BHADHN C[C@H](CNCc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000133012718 371967988 /nfs/dbraw/zinc/96/79/88/371967988.db2.gz HQGBYLDKWFRWNA-WDMOLILDSA-N 0 3 233.355 3.539 20 0 BHADHN C[C@H](CNCc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000133012928 371967546 /nfs/dbraw/zinc/96/75/46/371967546.db2.gz HQGBYLDKWFRWNA-JTNHKYCSSA-N 0 3 233.355 3.539 20 0 BHADHN C[C@H](CNCc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000133013086 371968306 /nfs/dbraw/zinc/96/83/06/371968306.db2.gz HQGBYLDKWFRWNA-MISXGVKJSA-N 0 3 233.355 3.539 20 0 BHADHN C[C@H](NCc1c(F)cccc1Cl)C1CCC1 ZINC000133016632 491127539 /nfs/dbraw/zinc/12/75/39/491127539.db2.gz OCCQULHZRNBQSM-VIFPVBQESA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H](NCc1c(F)cccc1Cl)C1CCC1 ZINC000133016833 491127563 /nfs/dbraw/zinc/12/75/63/491127563.db2.gz OCCQULHZRNBQSM-SECBINFHSA-N 0 3 241.737 3.757 20 0 BHADHN CC(C)(C)CNCc1ccc(Cl)cc1F ZINC000133044384 191104110 /nfs/dbraw/zinc/10/41/10/191104110.db2.gz KNVZSWVSWITLKO-UHFFFAOYSA-N 0 3 229.726 3.615 20 0 BHADHN Fc1cc(Cl)ccc1CNCC1CCCC1 ZINC000133044815 191036389 /nfs/dbraw/zinc/03/63/89/191036389.db2.gz KGZJNRZLWJNBEL-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CC[C@@H](C)CNCc1ccc(Cl)cc1F ZINC000133046135 191035935 /nfs/dbraw/zinc/03/59/35/191035935.db2.gz PNHFVEYCVOUNJW-SECBINFHSA-N 0 3 229.726 3.615 20 0 BHADHN CC[C@H](C)CNCc1ccc(Cl)cc1F ZINC000133046330 191036352 /nfs/dbraw/zinc/03/63/52/191036352.db2.gz PNHFVEYCVOUNJW-VIFPVBQESA-N 0 3 229.726 3.615 20 0 BHADHN C[C@@H]1CC[C@H](NCc2ccc(Cl)cc2F)C1 ZINC000133046744 191036397 /nfs/dbraw/zinc/03/63/97/191036397.db2.gz GVRQGLHJVHVASS-SKDRFNHKSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CC[C@H](NCc2ccc(Cl)cc2F)C1 ZINC000133046949 191037026 /nfs/dbraw/zinc/03/70/26/191037026.db2.gz GVRQGLHJVHVASS-CABZTGNLSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H]1CC[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC000133047167 191036257 /nfs/dbraw/zinc/03/62/57/191036257.db2.gz GVRQGLHJVHVASS-BXKDBHETSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CC[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC000133047374 191037016 /nfs/dbraw/zinc/03/70/16/191037016.db2.gz GVRQGLHJVHVASS-JOYOIKCWSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H](CNCc1ccc(F)cc1Cl)C1CC1 ZINC000133068507 491146204 /nfs/dbraw/zinc/14/62/04/491146204.db2.gz QSAJOOOSOWXWQG-VIFPVBQESA-N 0 3 241.737 3.615 20 0 BHADHN C[C@H](CNCc1ccc(F)cc1Cl)C1CC1 ZINC000133068677 491146212 /nfs/dbraw/zinc/14/62/12/491146212.db2.gz QSAJOOOSOWXWQG-SECBINFHSA-N 0 3 241.737 3.615 20 0 BHADHN C[C@H](NCc1ccc(Cl)cc1F)C1CCC1 ZINC000133112273 191036873 /nfs/dbraw/zinc/03/68/73/191036873.db2.gz UDPNNNZVVPSZQW-VIFPVBQESA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H](NCc1ccc(Cl)cc1F)C1CCC1 ZINC000133112459 191036908 /nfs/dbraw/zinc/03/69/08/191036908.db2.gz UDPNNNZVVPSZQW-SECBINFHSA-N 0 3 241.737 3.757 20 0 BHADHN CCC(CC)NCc1ccc(Cl)cc1F ZINC000133113670 191036439 /nfs/dbraw/zinc/03/64/39/191036439.db2.gz OPNYMDIVEACEMW-UHFFFAOYSA-N 0 3 229.726 3.757 20 0 BHADHN CC(C)[C@@H](C)NCc1ccc(Cl)cc1F ZINC000133114006 191035914 /nfs/dbraw/zinc/03/59/14/191035914.db2.gz SKLHUQLNPCFGIC-SECBINFHSA-N 0 3 229.726 3.613 20 0 BHADHN CC(C)[C@H](C)NCc1ccc(Cl)cc1F ZINC000133114204 191036483 /nfs/dbraw/zinc/03/64/83/191036483.db2.gz SKLHUQLNPCFGIC-VIFPVBQESA-N 0 3 229.726 3.613 20 0 BHADHN CCC[C@@H](C)NCc1ccc(Cl)cc1F ZINC000133114433 191036979 /nfs/dbraw/zinc/03/69/79/191036979.db2.gz DUCIZVZODJEKSE-SECBINFHSA-N 0 3 229.726 3.757 20 0 BHADHN CCC[C@H](C)NCc1ccc(Cl)cc1F ZINC000133114627 191036900 /nfs/dbraw/zinc/03/69/00/191036900.db2.gz DUCIZVZODJEKSE-VIFPVBQESA-N 0 3 229.726 3.757 20 0 BHADHN C[C@@H](CC1CC1)NCc1ccc(Cl)cc1F ZINC000133114892 191036965 /nfs/dbraw/zinc/03/69/65/191036965.db2.gz CLKVMICOIOQUFM-VIFPVBQESA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H](CC1CC1)NCc1ccc(Cl)cc1F ZINC000133115014 191036607 /nfs/dbraw/zinc/03/66/07/191036607.db2.gz CLKVMICOIOQUFM-SECBINFHSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H](NCc1c(Cl)oc2ccccc21)C1CC1 ZINC000133146329 491147246 /nfs/dbraw/zinc/14/72/46/491147246.db2.gz FXFMZAVRKKRREF-VIFPVBQESA-N 0 3 249.741 3.974 20 0 BHADHN C[C@@H](NCc1c(Cl)oc2ccccc21)C1CC1 ZINC000133146497 491147223 /nfs/dbraw/zinc/14/72/23/491147223.db2.gz FXFMZAVRKKRREF-SECBINFHSA-N 0 3 249.741 3.974 20 0 BHADHN Clc1oc2ccccc2c1CNCC1CCC1 ZINC000133177063 191037437 /nfs/dbraw/zinc/03/74/37/191037437.db2.gz KDQLOROOUCRUIP-UHFFFAOYSA-N 0 3 249.741 3.976 20 0 BHADHN c1coc(CN[C@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000133178181 358747023 /nfs/dbraw/zinc/74/70/23/358747023.db2.gz NSKRXHSCLGCPAW-CABCVRRESA-N 0 3 241.334 3.706 20 0 BHADHN c1coc(CN[C@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000133178407 358746867 /nfs/dbraw/zinc/74/68/67/358746867.db2.gz NSKRXHSCLGCPAW-GJZGRUSLSA-N 0 3 241.334 3.706 20 0 BHADHN c1coc(CN[C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000133178614 358747439 /nfs/dbraw/zinc/74/74/39/358747439.db2.gz NSKRXHSCLGCPAW-HUUCEWRRSA-N 0 3 241.334 3.706 20 0 BHADHN c1coc(CN[C@@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000133178815 358747158 /nfs/dbraw/zinc/74/71/58/358747158.db2.gz NSKRXHSCLGCPAW-LSDHHAIUSA-N 0 3 241.334 3.706 20 0 BHADHN CCC(CC)CNC(C)(C)c1nc(C)cs1 ZINC000133183071 191037220 /nfs/dbraw/zinc/03/72/20/191037220.db2.gz QROJIURCAYZWRG-UHFFFAOYSA-N 0 3 240.416 3.712 20 0 BHADHN CCC[C@@H](C)CNC(C)(C)c1nc(C)cs1 ZINC000133183294 191105486 /nfs/dbraw/zinc/10/54/86/191105486.db2.gz RKPMQOJXPURUBL-SNVBAGLBSA-N 0 3 240.416 3.712 20 0 BHADHN CCC[C@H](C)CNC(C)(C)c1nc(C)cs1 ZINC000133183488 191037857 /nfs/dbraw/zinc/03/78/57/191037857.db2.gz RKPMQOJXPURUBL-JTQLQIEISA-N 0 3 240.416 3.712 20 0 BHADHN Clc1oc2ccccc2c1CNCCC1CC1 ZINC000133207437 191039210 /nfs/dbraw/zinc/03/92/10/191039210.db2.gz CFEWVQXRPRMYPI-UHFFFAOYSA-N 0 3 249.741 3.976 20 0 BHADHN CCc1nc([C@@H](C)NCC(CC)CC)cs1 ZINC000133214401 491147843 /nfs/dbraw/zinc/14/78/43/491147843.db2.gz RSWWUWDDXHSVBC-SNVBAGLBSA-N 0 3 240.416 3.792 20 0 BHADHN CCc1nc([C@H](C)NCC(CC)CC)cs1 ZINC000133214594 537860227 /nfs/dbraw/zinc/86/02/27/537860227.db2.gz RSWWUWDDXHSVBC-JTQLQIEISA-N 0 3 240.416 3.792 20 0 BHADHN C[C@@H]1CC[C@H](Nc2ccnc3ccccc32)C1 ZINC000133218958 191038974 /nfs/dbraw/zinc/03/89/74/191038974.db2.gz XMCSOTRLCKJAKY-NEPJUHHUSA-N 0 3 226.323 3.835 20 0 BHADHN C[C@H]1CC[C@H](Nc2ccnc3ccccc32)C1 ZINC000133219135 191038940 /nfs/dbraw/zinc/03/89/40/191038940.db2.gz XMCSOTRLCKJAKY-RYUDHWBXSA-N 0 3 226.323 3.835 20 0 BHADHN C[C@@H]1CC[C@@H](Nc2ccnc3ccccc32)C1 ZINC000133219316 191038638 /nfs/dbraw/zinc/03/86/38/191038638.db2.gz XMCSOTRLCKJAKY-VXGBXAGGSA-N 0 3 226.323 3.835 20 0 BHADHN C[C@H]1CC[C@@H](Nc2ccnc3ccccc32)C1 ZINC000133219531 191105092 /nfs/dbraw/zinc/10/50/92/191105092.db2.gz XMCSOTRLCKJAKY-NWDGAFQWSA-N 0 3 226.323 3.835 20 0 BHADHN CCC(CC)CN[C@@](C)(CC)c1nccs1 ZINC000133224585 191038631 /nfs/dbraw/zinc/03/86/31/191038631.db2.gz JHTZWHOCFOLDED-ZDUSSCGKSA-N 0 3 240.416 3.794 20 0 BHADHN CCC(CC)CN[C@](C)(CC)c1nccs1 ZINC000133224785 191038652 /nfs/dbraw/zinc/03/86/52/191038652.db2.gz JHTZWHOCFOLDED-CYBMUJFWSA-N 0 3 240.416 3.794 20 0 BHADHN CCC[C@@H](C)CN[C@@](C)(CC)c1nccs1 ZINC000133224989 191039721 /nfs/dbraw/zinc/03/97/21/191039721.db2.gz IWUZTSJEIYVAKY-YPMHNXCESA-N 0 3 240.416 3.794 20 0 BHADHN CCC[C@H](C)CN[C@@](C)(CC)c1nccs1 ZINC000133225183 191038576 /nfs/dbraw/zinc/03/85/76/191038576.db2.gz IWUZTSJEIYVAKY-AAEUAGOBSA-N 0 3 240.416 3.794 20 0 BHADHN CCC[C@@H](C)CN[C@](C)(CC)c1nccs1 ZINC000133225385 191038811 /nfs/dbraw/zinc/03/88/11/191038811.db2.gz IWUZTSJEIYVAKY-DGCLKSJQSA-N 0 3 240.416 3.794 20 0 BHADHN CCC[C@H](C)CN[C@](C)(CC)c1nccs1 ZINC000133225568 191038845 /nfs/dbraw/zinc/03/88/45/191038845.db2.gz IWUZTSJEIYVAKY-WCQYABFASA-N 0 3 240.416 3.794 20 0 BHADHN Cc1csc([C@@H](C)N[C@@H](C)CC2CCC2)n1 ZINC000133225579 491148808 /nfs/dbraw/zinc/14/88/08/491148808.db2.gz FBSDGMNUUJVZRU-GXSJLCMTSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@@H](C)CC2CCC2)n1 ZINC000133225765 491132379 /nfs/dbraw/zinc/13/23/79/491132379.db2.gz FBSDGMNUUJVZRU-ONGXEEELSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@@H](C)N[C@H](C)CC2CCC2)n1 ZINC000133225949 491148796 /nfs/dbraw/zinc/14/87/96/491148796.db2.gz FBSDGMNUUJVZRU-MWLCHTKSSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@H](C)CC2CCC2)n1 ZINC000133226147 491148822 /nfs/dbraw/zinc/14/88/22/491148822.db2.gz FBSDGMNUUJVZRU-KOLCDFICSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)C(C)(C)C)o1 ZINC000133363755 344319213 /nfs/dbraw/zinc/31/92/13/344319213.db2.gz WZJGRYMWALRGDW-GHMZBOCLSA-N 0 3 209.333 3.673 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)C(C)(C)C)o1 ZINC000133363953 343190431 /nfs/dbraw/zinc/19/04/31/343190431.db2.gz WZJGRYMWALRGDW-WDEREUQCSA-N 0 3 209.333 3.673 20 0 BHADHN CCC(CC)CNC(C)(C)c1ncc(C)s1 ZINC000133380905 191040177 /nfs/dbraw/zinc/04/01/77/191040177.db2.gz SSFWBXUAFYIMJQ-UHFFFAOYSA-N 0 3 240.416 3.712 20 0 BHADHN CCC[C@@H](C)CNC(C)(C)c1ncc(C)s1 ZINC000133381345 191040543 /nfs/dbraw/zinc/04/05/43/191040543.db2.gz VNRQNYNSALFDIU-SNVBAGLBSA-N 0 3 240.416 3.712 20 0 BHADHN CCC[C@H](C)CNC(C)(C)c1ncc(C)s1 ZINC000133381559 191040660 /nfs/dbraw/zinc/04/06/60/191040660.db2.gz VNRQNYNSALFDIU-JTQLQIEISA-N 0 3 240.416 3.712 20 0 BHADHN Fc1ccc2c(c1)CC[C@@H]2NCc1ccsc1 ZINC000133384346 180985934 /nfs/dbraw/zinc/98/59/34/180985934.db2.gz ZDIARAXYAWMNSQ-AWEZNQCLSA-N 0 3 247.338 3.664 20 0 BHADHN Fc1ccc2c(c1)CC[C@H]2NCc1ccsc1 ZINC000133384535 386321787 /nfs/dbraw/zinc/32/17/87/386321787.db2.gz ZDIARAXYAWMNSQ-CQSZACIVSA-N 0 3 247.338 3.664 20 0 BHADHN Fc1ccc2c(c1)CC[C@H]2NCc1ccccc1 ZINC000133384787 180987750 /nfs/dbraw/zinc/98/77/50/180987750.db2.gz ZFCWPHXPVTZLGH-MRXNPFEDSA-N 0 3 241.309 3.603 20 0 BHADHN Fc1ccc2c(c1)CC[C@@H]2NCc1ccccc1 ZINC000133384982 388384341 /nfs/dbraw/zinc/38/43/41/388384341.db2.gz ZFCWPHXPVTZLGH-INIZCTEOSA-N 0 3 241.309 3.603 20 0 BHADHN CC[C@@H](C)CN[C@@H](C)c1csc(C(C)C)n1 ZINC000133570602 191041082 /nfs/dbraw/zinc/04/10/82/191041082.db2.gz QLFDBQZTNKTNHJ-MNOVXSKESA-N 0 3 240.416 3.963 20 0 BHADHN CC[C@H](C)CN[C@@H](C)c1csc(C(C)C)n1 ZINC000133570819 191041350 /nfs/dbraw/zinc/04/13/50/191041350.db2.gz QLFDBQZTNKTNHJ-QWRGUYRKSA-N 0 3 240.416 3.963 20 0 BHADHN CC[C@@H](C)CN[C@H](C)c1csc(C(C)C)n1 ZINC000133570986 191041520 /nfs/dbraw/zinc/04/15/20/191041520.db2.gz QLFDBQZTNKTNHJ-GHMZBOCLSA-N 0 3 240.416 3.963 20 0 BHADHN CC[C@H](C)CN[C@H](C)c1csc(C(C)C)n1 ZINC000133571168 191041948 /nfs/dbraw/zinc/04/19/48/191041948.db2.gz QLFDBQZTNKTNHJ-WDEREUQCSA-N 0 3 240.416 3.963 20 0 BHADHN CSCCCCN[C@@H](C)c1ccccc1F ZINC000133577726 191042154 /nfs/dbraw/zinc/04/21/54/191042154.db2.gz YDARDHDKFRNYSF-NSHDSACASA-N 0 3 241.375 3.620 20 0 BHADHN CSCCCCN[C@H](C)c1ccccc1F ZINC000133577959 191041151 /nfs/dbraw/zinc/04/11/51/191041151.db2.gz YDARDHDKFRNYSF-LLVKDONJSA-N 0 3 241.375 3.620 20 0 BHADHN Cc1nc([C@@H](C)N[C@H](C)C(C)(C)C)cs1 ZINC000133588490 343191259 /nfs/dbraw/zinc/19/12/59/343191259.db2.gz QEDCZRLVWFNTJI-RKDXNWHRSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1nc([C@H](C)N[C@H](C)C(C)(C)C)cs1 ZINC000133588705 343190894 /nfs/dbraw/zinc/19/08/94/343190894.db2.gz QEDCZRLVWFNTJI-DTWKUNHWSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1nc([C@@H](C)N[C@H](C)C(C)(C)C)c(C)s1 ZINC000133589702 411845257 /nfs/dbraw/zinc/84/52/57/411845257.db2.gz MILOVXOONMPSFJ-PSASIEDQSA-N 0 3 240.416 3.845 20 0 BHADHN Cc1nc([C@H](C)N[C@H](C)C(C)(C)C)c(C)s1 ZINC000133589881 411844757 /nfs/dbraw/zinc/84/47/57/411844757.db2.gz MILOVXOONMPSFJ-WCBMZHEXSA-N 0 3 240.416 3.845 20 0 BHADHN CC[C@@H](C)CNc1ccc(C)cc1CN(C)C ZINC000133614729 325305028 /nfs/dbraw/zinc/30/50/28/325305028.db2.gz SPEMNOJHZUAKGF-GFCCVEGCSA-N 0 3 234.387 3.515 20 0 BHADHN CC[C@H](C)CNc1ccc(C)cc1CN(C)C ZINC000133614919 325304894 /nfs/dbraw/zinc/30/48/94/325304894.db2.gz SPEMNOJHZUAKGF-LBPRGKRZSA-N 0 3 234.387 3.515 20 0 BHADHN CCc1ccc([C@@H](C)NCCCCSC)o1 ZINC000133742116 191043271 /nfs/dbraw/zinc/04/32/71/191043271.db2.gz BVGRPPDFWVLAER-LLVKDONJSA-N 0 3 241.400 3.636 20 0 BHADHN CCc1ccc([C@H](C)NCCCCSC)o1 ZINC000133742334 191042761 /nfs/dbraw/zinc/04/27/61/191042761.db2.gz BVGRPPDFWVLAER-NSHDSACASA-N 0 3 241.400 3.636 20 0 BHADHN CC(C)(C)C1CCN(Cc2cccc(O)c2)CC1 ZINC000133755793 191042797 /nfs/dbraw/zinc/04/27/97/191042797.db2.gz FDUAWOHKZUBENZ-UHFFFAOYSA-N 0 3 247.382 3.650 20 0 BHADHN C[C@@H]1C[C@H](c2ccccc2F)N(CCCF)C1 ZINC000133925460 358772331 /nfs/dbraw/zinc/77/23/31/358772331.db2.gz HCMOUDFJPUSJFW-BXUZGUMPSA-N 0 3 239.309 3.568 20 0 BHADHN C[C@H]1C[C@H](c2ccccc2F)N(CCCF)C1 ZINC000133925688 358772545 /nfs/dbraw/zinc/77/25/45/358772545.db2.gz HCMOUDFJPUSJFW-SMDDNHRTSA-N 0 3 239.309 3.568 20 0 BHADHN C[C@@H]1C[C@@H](c2ccccc2F)N(CCCF)C1 ZINC000133925860 358772286 /nfs/dbraw/zinc/77/22/86/358772286.db2.gz HCMOUDFJPUSJFW-RISCZKNCSA-N 0 3 239.309 3.568 20 0 BHADHN C[C@H]1C[C@@H](c2ccccc2F)N(CCCF)C1 ZINC000133926084 358772012 /nfs/dbraw/zinc/77/20/12/358772012.db2.gz HCMOUDFJPUSJFW-FZMZJTMJSA-N 0 3 239.309 3.568 20 0 BHADHN C[C@H](NCc1cccc2[nH]ccc21)c1ccoc1 ZINC000133932959 491161059 /nfs/dbraw/zinc/16/10/59/491161059.db2.gz ZEKHQBFKURMNAZ-NSHDSACASA-N 0 3 240.306 3.612 20 0 BHADHN C[C@@H](NCc1cccc2[nH]ccc21)c1ccoc1 ZINC000133933101 491161061 /nfs/dbraw/zinc/16/10/61/491161061.db2.gz ZEKHQBFKURMNAZ-LLVKDONJSA-N 0 3 240.306 3.612 20 0 BHADHN CSC[C@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000133950625 388472945 /nfs/dbraw/zinc/47/29/45/388472945.db2.gz UNSWEPHGXWDMIP-YUMQZZPRSA-N 0 3 249.832 3.804 20 0 BHADHN CSC[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000133950829 388473240 /nfs/dbraw/zinc/47/32/40/388473240.db2.gz UNSWEPHGXWDMIP-SFYZADRCSA-N 0 3 249.832 3.804 20 0 BHADHN CSC[C@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000133951051 388473005 /nfs/dbraw/zinc/47/30/05/388473005.db2.gz UNSWEPHGXWDMIP-JGVFFNPUSA-N 0 3 249.832 3.804 20 0 BHADHN CSC[C@@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000133951254 388473088 /nfs/dbraw/zinc/47/30/88/388473088.db2.gz UNSWEPHGXWDMIP-HTQZYQBOSA-N 0 3 249.832 3.804 20 0 BHADHN Oc1cccc(CN2CCC3(CCCC3)CC2)c1 ZINC000133993603 358775454 /nfs/dbraw/zinc/77/54/54/358775454.db2.gz SPKDPLUPKNJHBB-UHFFFAOYSA-N 0 3 245.366 3.548 20 0 BHADHN CC[C@H](N[C@@H](C)CC1CCC1)c1nccs1 ZINC000134091254 491161952 /nfs/dbraw/zinc/16/19/52/491161952.db2.gz WTGUNCKBEXHQOG-JQWIXIFHSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H](N[C@@H](C)CC1CCC1)c1nccs1 ZINC000134091466 491161950 /nfs/dbraw/zinc/16/19/50/491161950.db2.gz WTGUNCKBEXHQOG-CMPLNLGQSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](N[C@H](C)CC1CCC1)c1nccs1 ZINC000134091673 491161946 /nfs/dbraw/zinc/16/19/46/491161946.db2.gz WTGUNCKBEXHQOG-PWSUYJOCSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H](N[C@H](C)CC1CCC1)c1nccs1 ZINC000134091855 491161948 /nfs/dbraw/zinc/16/19/48/491161948.db2.gz WTGUNCKBEXHQOG-ZYHUDNBSSA-N 0 3 238.400 3.763 20 0 BHADHN CC(C)CCCCN[C@@H](C)c1cncs1 ZINC000134120990 591891318 /nfs/dbraw/zinc/89/13/18/591891318.db2.gz FAMIHEQKCUDMMO-NSHDSACASA-N 0 3 226.389 3.620 20 0 BHADHN CC(C)CCCCN[C@H](C)c1cncs1 ZINC000134121222 591891221 /nfs/dbraw/zinc/89/12/21/591891221.db2.gz FAMIHEQKCUDMMO-LLVKDONJSA-N 0 3 226.389 3.620 20 0 BHADHN CCCNCc1c(Cl)oc2ccccc21 ZINC000134223181 364394338 /nfs/dbraw/zinc/39/43/38/364394338.db2.gz WTLYFCQEWOUNII-UHFFFAOYSA-N 0 3 223.703 3.586 20 0 BHADHN CC(C)CNCc1c(Cl)oc2ccccc21 ZINC000134223239 325349268 /nfs/dbraw/zinc/34/92/68/325349268.db2.gz KSPJNEVVMWVFNL-UHFFFAOYSA-N 0 3 237.730 3.832 20 0 BHADHN CCCCNCc1c(Cl)oc2ccccc21 ZINC000134223267 325349482 /nfs/dbraw/zinc/34/94/82/325349482.db2.gz WJPWKJYJPFLVBY-UHFFFAOYSA-N 0 3 237.730 3.976 20 0 BHADHN CC(C)NCc1c(Cl)oc2ccccc21 ZINC000134223325 364394809 /nfs/dbraw/zinc/39/48/09/364394809.db2.gz NBSPHRAOYPIWDM-UHFFFAOYSA-N 0 3 223.703 3.584 20 0 BHADHN CC[C@@H](C)NCc1c(Cl)oc2ccccc21 ZINC000134223379 325349313 /nfs/dbraw/zinc/34/93/13/325349313.db2.gz QWOKVKKKBQRMGI-SECBINFHSA-N 0 3 237.730 3.974 20 0 BHADHN CC[C@H](C)NCc1c(Cl)oc2ccccc21 ZINC000134223402 325349299 /nfs/dbraw/zinc/34/92/99/325349299.db2.gz QWOKVKKKBQRMGI-VIFPVBQESA-N 0 3 237.730 3.974 20 0 BHADHN Clc1oc2ccccc2c1CNCC1CC1 ZINC000134223563 358783743 /nfs/dbraw/zinc/78/37/43/358783743.db2.gz HAJZTBJDYSZZRD-UHFFFAOYSA-N 0 3 235.714 3.586 20 0 BHADHN Clc1oc2ccccc2c1CNC1CCC1 ZINC000134223676 358784231 /nfs/dbraw/zinc/78/42/31/358784231.db2.gz SIYZQBJOLADURV-UHFFFAOYSA-N 0 3 235.714 3.728 20 0 BHADHN CCC[C@@H](C)NC1(c2ccccc2F)CC1 ZINC000134266171 325351438 /nfs/dbraw/zinc/35/14/38/325351438.db2.gz CJJPKUFMGCDWMR-LLVKDONJSA-N 0 3 221.319 3.593 20 0 BHADHN CCC[C@H](C)NC1(c2ccccc2F)CC1 ZINC000134266191 325351539 /nfs/dbraw/zinc/35/15/39/325351539.db2.gz CJJPKUFMGCDWMR-NSHDSACASA-N 0 3 221.319 3.593 20 0 BHADHN Cc1cnc(C(C)(C)N[C@@H](C)CC(C)C)s1 ZINC000134277085 358785482 /nfs/dbraw/zinc/78/54/82/358785482.db2.gz DGZPWKGRHQISKW-JTQLQIEISA-N 0 3 240.416 3.711 20 0 BHADHN Cc1cnc(C(C)(C)N[C@H](C)CC(C)C)s1 ZINC000134277109 358785701 /nfs/dbraw/zinc/78/57/01/358785701.db2.gz DGZPWKGRHQISKW-SNVBAGLBSA-N 0 3 240.416 3.711 20 0 BHADHN Cc1ccc([C@H](NCc2ccoc2)C2CC2)cc1 ZINC000134284011 325352254 /nfs/dbraw/zinc/35/22/54/325352254.db2.gz OGPHIGGUKBNDQZ-INIZCTEOSA-N 0 3 241.334 3.829 20 0 BHADHN Cc1ccc([C@@H](NCc2ccoc2)C2CC2)cc1 ZINC000134284027 325352524 /nfs/dbraw/zinc/35/25/24/325352524.db2.gz OGPHIGGUKBNDQZ-MRXNPFEDSA-N 0 3 241.334 3.829 20 0 BHADHN c1cc(CN[C@H]2CCCCc3ccccc32)co1 ZINC000134289129 386404949 /nfs/dbraw/zinc/40/49/49/386404949.db2.gz KFCLLTLYEYILEB-INIZCTEOSA-N 0 3 241.334 3.837 20 0 BHADHN c1cc(CN[C@@H]2CCCCc3ccccc32)co1 ZINC000134289151 386405318 /nfs/dbraw/zinc/40/53/18/386405318.db2.gz KFCLLTLYEYILEB-MRXNPFEDSA-N 0 3 241.334 3.837 20 0 BHADHN CC[C@H](Nc1cc(C)cc(C)n1)C(C)C ZINC000134350150 325354848 /nfs/dbraw/zinc/35/48/48/325354848.db2.gz LLNDBIQYRLJTCL-LBPRGKRZSA-N 0 3 206.333 3.545 20 0 BHADHN CC[C@@H](Nc1cc(C)cc(C)n1)C(C)C ZINC000134350173 325354755 /nfs/dbraw/zinc/35/47/55/325354755.db2.gz LLNDBIQYRLJTCL-GFCCVEGCSA-N 0 3 206.333 3.545 20 0 BHADHN CC[C@@H](C)[C@@H](C)Nc1cc(C)cc(C)n1 ZINC000134351346 325354928 /nfs/dbraw/zinc/35/49/28/325354928.db2.gz XVUXKQXJBJJNHQ-ZYHUDNBSSA-N 0 3 206.333 3.545 20 0 BHADHN CC[C@H](C)[C@@H](C)Nc1cc(C)cc(C)n1 ZINC000134351370 325354797 /nfs/dbraw/zinc/35/47/97/325354797.db2.gz XVUXKQXJBJJNHQ-CMPLNLGQSA-N 0 3 206.333 3.545 20 0 BHADHN CC[C@@H](C)[C@H](C)Nc1cc(C)cc(C)n1 ZINC000134351391 325354906 /nfs/dbraw/zinc/35/49/06/325354906.db2.gz XVUXKQXJBJJNHQ-PWSUYJOCSA-N 0 3 206.333 3.545 20 0 BHADHN CC[C@H](C)[C@H](C)Nc1cc(C)cc(C)n1 ZINC000134351410 325354721 /nfs/dbraw/zinc/35/47/21/325354721.db2.gz XVUXKQXJBJJNHQ-JQWIXIFHSA-N 0 3 206.333 3.545 20 0 BHADHN C[C@@H](CNc1ccnc2ccccc21)C1CC1 ZINC000134508425 342859603 /nfs/dbraw/zinc/85/96/03/342859603.db2.gz SSKDQNWSJKUDBR-NSHDSACASA-N 0 3 226.323 3.693 20 0 BHADHN C[C@H](CNc1ccnc2ccccc21)C1CC1 ZINC000134508447 342859677 /nfs/dbraw/zinc/85/96/77/342859677.db2.gz SSKDQNWSJKUDBR-LLVKDONJSA-N 0 3 226.323 3.693 20 0 BHADHN Cc1cc(NCc2ccoc2)c2ccccc2n1 ZINC000134508934 325362335 /nfs/dbraw/zinc/36/23/35/325362335.db2.gz HVVSTUUPAOYZHY-UHFFFAOYSA-N 0 3 238.290 3.748 20 0 BHADHN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(C)(C)C ZINC000134550384 325364949 /nfs/dbraw/zinc/36/49/49/325364949.db2.gz ZQPCTTDKPSDXPP-MDZLAQPJSA-N 0 3 235.371 3.927 20 0 BHADHN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(C)(C)C ZINC000134550425 325364774 /nfs/dbraw/zinc/36/47/74/325364774.db2.gz ZQPCTTDKPSDXPP-NTZNESFSSA-N 0 3 235.371 3.927 20 0 BHADHN C[C@@H](CN[C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC000134563633 342868167 /nfs/dbraw/zinc/86/81/67/342868167.db2.gz YRZYDOZSXZIATD-UWVGGRQHSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@H](CN[C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC000134563653 342868196 /nfs/dbraw/zinc/86/81/96/342868196.db2.gz YRZYDOZSXZIATD-ZJUUUORDSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@@H](CN[C@H](C)c1ccc(F)cc1F)C1CC1 ZINC000134563674 358795253 /nfs/dbraw/zinc/79/52/53/358795253.db2.gz YRZYDOZSXZIATD-VHSXEESVSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@@H](NC[C@@H](C)C1CC1)c1ccc(F)cc1F ZINC000134563694 342868276 /nfs/dbraw/zinc/86/82/76/342868276.db2.gz YRZYDOZSXZIATD-NXEZZACHSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@@H](CN[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000134563917 342868281 /nfs/dbraw/zinc/86/82/81/342868281.db2.gz RKCKVIYIYRSZIV-UWVGGRQHSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@H](CN[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000134563935 342868287 /nfs/dbraw/zinc/86/82/87/342868287.db2.gz RKCKVIYIYRSZIV-ZJUUUORDSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@@H](CN[C@H](C)c1cc(F)ccc1F)C1CC1 ZINC000134563953 342868235 /nfs/dbraw/zinc/86/82/35/342868235.db2.gz RKCKVIYIYRSZIV-VHSXEESVSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@@H](NC[C@@H](C)C1CC1)c1cc(F)ccc1F ZINC000134563972 342868214 /nfs/dbraw/zinc/86/82/14/342868214.db2.gz RKCKVIYIYRSZIV-NXEZZACHSA-N 0 3 239.309 3.662 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1NCc1ncc(C)s1 ZINC000134647677 325369930 /nfs/dbraw/zinc/36/99/30/325369930.db2.gz COHMYPAZFJVIQZ-NEPJUHHUSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCCC[C@@H]1NCc1ncc(C)s1 ZINC000134647702 325369877 /nfs/dbraw/zinc/36/98/77/325369877.db2.gz COHMYPAZFJVIQZ-RYUDHWBXSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H]1CCCC[C@H]1NCc1ncc(C)s1 ZINC000134647725 325369733 /nfs/dbraw/zinc/36/97/33/325369733.db2.gz COHMYPAZFJVIQZ-VXGBXAGGSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCCC[C@H]1NCc1ncc(C)s1 ZINC000134647750 325369747 /nfs/dbraw/zinc/36/97/47/325369747.db2.gz COHMYPAZFJVIQZ-NWDGAFQWSA-N 0 3 238.400 3.510 20 0 BHADHN CC(C)[C@H](NC1CC1)c1ccc(Cl)cc1F ZINC000134752600 325375586 /nfs/dbraw/zinc/37/55/86/325375586.db2.gz CMYYSKIUCDOPDF-ZDUSSCGKSA-N 0 3 241.737 3.928 20 0 BHADHN CC(C)[C@@H](NC1CC1)c1ccc(Cl)cc1F ZINC000134752620 325375611 /nfs/dbraw/zinc/37/56/11/325375611.db2.gz CMYYSKIUCDOPDF-CYBMUJFWSA-N 0 3 241.737 3.928 20 0 BHADHN CSCCCCNc1ccnc2ccccc21 ZINC000134828455 358808238 /nfs/dbraw/zinc/80/82/38/358808238.db2.gz GLPWLERZUSAGPA-UHFFFAOYSA-N 0 3 246.379 3.790 20 0 BHADHN c1ccc2c(c1)nccc2NCCCC1CC1 ZINC000134830302 342894939 /nfs/dbraw/zinc/89/49/39/342894939.db2.gz XTZJTDLXDLZQSE-UHFFFAOYSA-N 0 3 226.323 3.837 20 0 BHADHN CSCC[C@H](C)Nc1ccnc2ccccc21 ZINC000134834970 591953219 /nfs/dbraw/zinc/95/32/19/591953219.db2.gz STLPXZNDZKAASP-NSHDSACASA-N 0 3 246.379 3.788 20 0 BHADHN CSCC[C@@H](C)Nc1ccnc2ccccc21 ZINC000134834988 591952871 /nfs/dbraw/zinc/95/28/71/591952871.db2.gz STLPXZNDZKAASP-LLVKDONJSA-N 0 3 246.379 3.788 20 0 BHADHN CC[C@@H]1CCC[C@H](CNCc2ccco2)C1 ZINC000134840357 325378774 /nfs/dbraw/zinc/37/87/74/325378774.db2.gz OIVWLVASKKDHMP-OLZOCXBDSA-N 0 3 221.344 3.586 20 0 BHADHN CC[C@H]1CCC[C@H](CNCc2ccco2)C1 ZINC000134840379 325378676 /nfs/dbraw/zinc/37/86/76/325378676.db2.gz OIVWLVASKKDHMP-STQMWFEESA-N 0 3 221.344 3.586 20 0 BHADHN CC[C@@H]1CCC[C@@H](CNCc2ccco2)C1 ZINC000134840400 325378860 /nfs/dbraw/zinc/37/88/60/325378860.db2.gz OIVWLVASKKDHMP-CHWSQXEVSA-N 0 3 221.344 3.586 20 0 BHADHN CC[C@H]1CCC[C@@H](CNCc2ccco2)C1 ZINC000134840415 325378848 /nfs/dbraw/zinc/37/88/48/325378848.db2.gz OIVWLVASKKDHMP-QWHCGFSZSA-N 0 3 221.344 3.586 20 0 BHADHN CCC(C)(C)NCc1ncc(C(C)C)s1 ZINC000134845235 387812050 /nfs/dbraw/zinc/81/20/50/387812050.db2.gz ZTEAMDVJLFZYHX-UHFFFAOYSA-N 0 3 226.389 3.545 20 0 BHADHN CC(C)c1cnc(CNC2(C)CCCC2)s1 ZINC000134846091 358808220 /nfs/dbraw/zinc/80/82/20/358808220.db2.gz GCJIGYTZRWWWMH-UHFFFAOYSA-N 0 3 238.400 3.689 20 0 BHADHN CCCC(C)(C)NCc1ncc(C(C)C)s1 ZINC000134848793 325379002 /nfs/dbraw/zinc/37/90/02/325379002.db2.gz QNJYUSWPIAWQHY-UHFFFAOYSA-N 0 3 240.416 3.935 20 0 BHADHN CC(C)c1cnc(CN[C@H](C)C(C)(C)C)s1 ZINC000134848834 343191332 /nfs/dbraw/zinc/19/13/32/343191332.db2.gz XBGCCQLAWFJFQY-SNVBAGLBSA-N 0 3 240.416 3.791 20 0 BHADHN CCC(C)(CC)NCc1ncc(C(C)C)s1 ZINC000134850279 325379035 /nfs/dbraw/zinc/37/90/35/325379035.db2.gz CPLPWDPTXXKGRF-UHFFFAOYSA-N 0 3 240.416 3.935 20 0 BHADHN CC(C)c1cnc(CNCCCC2CC2)s1 ZINC000134851376 541360315 /nfs/dbraw/zinc/36/03/15/541360315.db2.gz HXNBTMCJJYOTFP-UHFFFAOYSA-N 0 3 238.400 3.546 20 0 BHADHN CCC1(NCc2ncc(C(C)C)s2)CCC1 ZINC000134856839 325379156 /nfs/dbraw/zinc/37/91/56/325379156.db2.gz WFITYRJLYROPKL-UHFFFAOYSA-N 0 3 238.400 3.689 20 0 BHADHN CC(C)c1cnc(CNCCC2CCC2)s1 ZINC000134858172 591952860 /nfs/dbraw/zinc/95/28/60/591952860.db2.gz XJNHPOMHFBXXQY-UHFFFAOYSA-N 0 3 238.400 3.546 20 0 BHADHN C[C@H](NCCCC1CC1)c1c(F)cccc1F ZINC000134860598 591953584 /nfs/dbraw/zinc/95/35/84/591953584.db2.gz DCAWSUOXRZRRSK-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCCCC1CC1)c1c(F)cccc1F ZINC000134860613 591953318 /nfs/dbraw/zinc/95/33/18/591953318.db2.gz DCAWSUOXRZRRSK-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@H](NCCCC1CC1)c1ccc(F)cc1F ZINC000134860912 325379692 /nfs/dbraw/zinc/37/96/92/325379692.db2.gz FNIAXPHJJPIQCS-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCCCC1CC1)c1ccc(F)cc1F ZINC000134860933 325379663 /nfs/dbraw/zinc/37/96/63/325379663.db2.gz FNIAXPHJJPIQCS-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@H](NCCCC1CC1)c1cc(F)ccc1F ZINC000134861269 325379589 /nfs/dbraw/zinc/37/95/89/325379589.db2.gz FPQVOUNXYGQNLH-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCCCC1CC1)c1cc(F)ccc1F ZINC000134861290 325379562 /nfs/dbraw/zinc/37/95/62/325379562.db2.gz FPQVOUNXYGQNLH-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN CSCCCCCCNCc1occc1C ZINC000134866117 398341831 /nfs/dbraw/zinc/34/18/31/398341831.db2.gz UCAILZPXJGZRTJ-UHFFFAOYSA-N 0 3 241.400 3.601 20 0 BHADHN CSCCCCCCNCc1ccc(C)o1 ZINC000134867161 398341903 /nfs/dbraw/zinc/34/19/03/398341903.db2.gz GXMXKOZYDAVZHT-UHFFFAOYSA-N 0 3 241.400 3.601 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNCCCC2CC2)o1 ZINC000134867969 325380129 /nfs/dbraw/zinc/38/01/29/325380129.db2.gz XUXDYVKFQNIXRY-RISCZKNCSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNCCCC2CC2)o1 ZINC000134867988 325380139 /nfs/dbraw/zinc/38/01/39/325380139.db2.gz XUXDYVKFQNIXRY-FZMZJTMJSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNCCCC2CC2)o1 ZINC000134868009 325380134 /nfs/dbraw/zinc/38/01/34/325380134.db2.gz XUXDYVKFQNIXRY-BXUZGUMPSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNCCCC2CC2)o1 ZINC000134868025 325379811 /nfs/dbraw/zinc/37/98/11/325379811.db2.gz XUXDYVKFQNIXRY-SMDDNHRTSA-N 0 3 233.355 3.683 20 0 BHADHN CSCCCCCCN[C@@H](C)c1ccco1 ZINC000134888805 591956499 /nfs/dbraw/zinc/95/64/99/591956499.db2.gz ZPEMBDCXUGCYEF-LBPRGKRZSA-N 0 3 241.400 3.854 20 0 BHADHN CSCCCCCCN[C@H](C)c1ccco1 ZINC000134888830 591957144 /nfs/dbraw/zinc/95/71/44/591957144.db2.gz ZPEMBDCXUGCYEF-GFCCVEGCSA-N 0 3 241.400 3.854 20 0 BHADHN CSCCCCCCN[C@@H](C)c1ccoc1 ZINC000134889186 591957082 /nfs/dbraw/zinc/95/70/82/591957082.db2.gz IZQQXAKKFZWZFI-LBPRGKRZSA-N 0 3 241.400 3.854 20 0 BHADHN CSCCCCCCN[C@H](C)c1ccoc1 ZINC000134889208 591956790 /nfs/dbraw/zinc/95/67/90/591956790.db2.gz IZQQXAKKFZWZFI-GFCCVEGCSA-N 0 3 241.400 3.854 20 0 BHADHN CC[C@H](NC1CC1)c1cccc(Cl)c1F ZINC000135041992 325390414 /nfs/dbraw/zinc/39/04/14/325390414.db2.gz XVJWDXOODYWWCK-NSHDSACASA-N 0 3 227.710 3.682 20 0 BHADHN CC[C@@H](NC1CC1)c1cccc(Cl)c1F ZINC000135042011 325390420 /nfs/dbraw/zinc/39/04/20/325390420.db2.gz XVJWDXOODYWWCK-LLVKDONJSA-N 0 3 227.710 3.682 20 0 BHADHN CC[C@H](NCCCF)c1cccc(Cl)c1F ZINC000135042854 325390449 /nfs/dbraw/zinc/39/04/49/325390449.db2.gz ZKIGPRAMPKVLJK-NSHDSACASA-N 0 3 247.716 3.879 20 0 BHADHN CC[C@@H](NCCCF)c1cccc(Cl)c1F ZINC000135042872 325390442 /nfs/dbraw/zinc/39/04/42/325390442.db2.gz ZKIGPRAMPKVLJK-LLVKDONJSA-N 0 3 247.716 3.879 20 0 BHADHN Fc1cc(CNC2CCCC2)c(F)cc1Cl ZINC000135046566 325390509 /nfs/dbraw/zinc/39/05/09/325390509.db2.gz FJSWIFPSOKPKKB-UHFFFAOYSA-N 0 3 245.700 3.650 20 0 BHADHN CC[C@@H](C)NCc1cc(F)c(Cl)cc1F ZINC000135046650 325390526 /nfs/dbraw/zinc/39/05/26/325390526.db2.gz BJUXXUMBWIMZJM-SSDOTTSWSA-N 0 3 233.689 3.506 20 0 BHADHN CC[C@H](C)NCc1cc(F)c(Cl)cc1F ZINC000135046671 323026637 /nfs/dbraw/zinc/02/66/37/323026637.db2.gz BJUXXUMBWIMZJM-ZETCQYMHSA-N 0 3 233.689 3.506 20 0 BHADHN COc1cccc(F)c1[C@H](C)NCCC(C)C ZINC000135091042 323178087 /nfs/dbraw/zinc/17/80/87/323178087.db2.gz JHXLNEINPZXCDE-NSHDSACASA-N 0 3 239.334 3.531 20 0 BHADHN COc1cccc(F)c1[C@@H](C)NCCC(C)C ZINC000135091058 325392720 /nfs/dbraw/zinc/39/27/20/325392720.db2.gz JHXLNEINPZXCDE-LLVKDONJSA-N 0 3 239.334 3.531 20 0 BHADHN CCCCCN[C@@H](C)c1c(F)cccc1OC ZINC000135091121 325392926 /nfs/dbraw/zinc/39/29/26/325392926.db2.gz ZSPYGEIVQGPQPS-NSHDSACASA-N 0 3 239.334 3.675 20 0 BHADHN CCCCCN[C@H](C)c1c(F)cccc1OC ZINC000135091139 325392735 /nfs/dbraw/zinc/39/27/35/325392735.db2.gz ZSPYGEIVQGPQPS-LLVKDONJSA-N 0 3 239.334 3.675 20 0 BHADHN Cc1ccoc1CN[C@@H](C)CCc1ccccc1 ZINC000135122589 325396121 /nfs/dbraw/zinc/39/61/21/325396121.db2.gz JZRRNXCJCCZUNC-AWEZNQCLSA-N 0 3 243.350 3.699 20 0 BHADHN Cc1ccoc1CN[C@H](C)CCc1ccccc1 ZINC000135122607 325396080 /nfs/dbraw/zinc/39/60/80/325396080.db2.gz JZRRNXCJCCZUNC-CQSZACIVSA-N 0 3 243.350 3.699 20 0 BHADHN Cc1ccoc1CNCCc1ccc(Cl)cc1 ZINC000135123754 325396108 /nfs/dbraw/zinc/39/61/08/325396108.db2.gz ORTKXUZQMKLFHF-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN CCC(CC)N(Cc1nccs1)CC(C)C ZINC000135123782 358821440 /nfs/dbraw/zinc/82/14/40/358821440.db2.gz YMVQHRFUHXPPKP-UHFFFAOYSA-N 0 3 240.416 3.790 20 0 BHADHN Cc1ccoc1CN[C@@H](c1ccccc1)C1CC1 ZINC000135137391 386485114 /nfs/dbraw/zinc/48/51/14/386485114.db2.gz YXKSYQNTWIDQTP-INIZCTEOSA-N 0 3 241.334 3.829 20 0 BHADHN Cc1ccoc1CN[C@H](c1ccccc1)C1CC1 ZINC000135137405 386485347 /nfs/dbraw/zinc/48/53/47/386485347.db2.gz YXKSYQNTWIDQTP-MRXNPFEDSA-N 0 3 241.334 3.829 20 0 BHADHN Cc1ccoc1CNCC(C)(C)c1ccccc1 ZINC000135146484 323359894 /nfs/dbraw/zinc/35/98/94/323359894.db2.gz VQZFZOAWQZOARI-UHFFFAOYSA-N 0 3 243.350 3.655 20 0 BHADHN Cc1ccoc1CN[C@H](C)Cc1ccccc1C ZINC000135153224 325397783 /nfs/dbraw/zinc/39/77/83/325397783.db2.gz GCFGMZQJZGWRGY-CQSZACIVSA-N 0 3 243.350 3.617 20 0 BHADHN Cc1ccoc1CN[C@@H](C)Cc1ccccc1C ZINC000135153244 325397777 /nfs/dbraw/zinc/39/77/77/325397777.db2.gz GCFGMZQJZGWRGY-AWEZNQCLSA-N 0 3 243.350 3.617 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN[C@H]2CC[C@@H](C)C2)o1 ZINC000135153310 358822199 /nfs/dbraw/zinc/82/21/99/358822199.db2.gz AKZGPMUCXGTXMT-OWTLIXCDSA-N 0 3 233.355 3.681 20 0 BHADHN CC(C)CN(Cc1nccs1)CC(C)(C)C ZINC000135154144 358822106 /nfs/dbraw/zinc/82/21/06/358822106.db2.gz MZJXBWIBHMMMQG-UHFFFAOYSA-N 0 3 240.416 3.647 20 0 BHADHN CC(C)CC[C@@H]1CCCN1Cc1nccs1 ZINC000135162666 534925110 /nfs/dbraw/zinc/92/51/10/534925110.db2.gz HQEARYPNEFBPDP-LBPRGKRZSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)CC[C@H]1CCCN1Cc1nccs1 ZINC000135162687 358823536 /nfs/dbraw/zinc/82/35/36/358823536.db2.gz HQEARYPNEFBPDP-GFCCVEGCSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1nccs1 ZINC000135162773 358823558 /nfs/dbraw/zinc/82/35/58/358823558.db2.gz MQLMEKZMXJTQGW-NEPJUHHUSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@H](C)[C@@H]1CCCN1Cc1nccs1 ZINC000135162797 358823040 /nfs/dbraw/zinc/82/30/40/358823040.db2.gz MQLMEKZMXJTQGW-RYUDHWBXSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@@H](C)[C@H]1CCCN1Cc1nccs1 ZINC000135162816 358823517 /nfs/dbraw/zinc/82/35/17/358823517.db2.gz MQLMEKZMXJTQGW-VXGBXAGGSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@H](C)[C@H]1CCCN1Cc1nccs1 ZINC000135162837 358823281 /nfs/dbraw/zinc/82/32/81/358823281.db2.gz MQLMEKZMXJTQGW-NWDGAFQWSA-N 0 3 238.400 3.544 20 0 BHADHN Cc1ccoc1CNCC[C@@H](C)c1ccccc1 ZINC000135169355 325398368 /nfs/dbraw/zinc/39/83/68/325398368.db2.gz PNIVCGXQLYWTRX-CYBMUJFWSA-N 0 3 243.350 3.871 20 0 BHADHN Cc1ccoc1CNCC[C@H](C)c1ccccc1 ZINC000135169372 325398473 /nfs/dbraw/zinc/39/84/73/325398473.db2.gz PNIVCGXQLYWTRX-ZDUSSCGKSA-N 0 3 243.350 3.871 20 0 BHADHN CC(C)N(Cc1nccs1)C1CCCCC1 ZINC000135178555 325398816 /nfs/dbraw/zinc/39/88/16/325398816.db2.gz YVIVAMYCQXELRR-UHFFFAOYSA-N 0 3 238.400 3.686 20 0 BHADHN Cc1ccoc1CNCC(C)(C)c1cccs1 ZINC000135186199 325399677 /nfs/dbraw/zinc/39/96/77/325399677.db2.gz JPQPCJMRYNKQDS-UHFFFAOYSA-N 0 3 249.379 3.717 20 0 BHADHN Cc1ccoc1CNCC[C@@H]1CCC[C@H](C)C1 ZINC000135187307 325399638 /nfs/dbraw/zinc/39/96/38/325399638.db2.gz OYEGXNSPFXLQGU-JSGCOSHPSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccoc1CNCC[C@H]1CCC[C@H](C)C1 ZINC000135187327 325399764 /nfs/dbraw/zinc/39/97/64/325399764.db2.gz OYEGXNSPFXLQGU-GXTWGEPZSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccoc1CNCC[C@@H]1CCC[C@@H](C)C1 ZINC000135187347 325399717 /nfs/dbraw/zinc/39/97/17/325399717.db2.gz OYEGXNSPFXLQGU-OCCSQVGLSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccoc1CNCC[C@H]1CCC[C@@H](C)C1 ZINC000135187365 325399814 /nfs/dbraw/zinc/39/98/14/325399814.db2.gz OYEGXNSPFXLQGU-TZMCWYRMSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccc(C[C@H](C)NCc2occc2C)s1 ZINC000135190074 358824015 /nfs/dbraw/zinc/82/40/15/358824015.db2.gz ZUEVBLKPLUGSST-NSHDSACASA-N 0 3 249.379 3.679 20 0 BHADHN Cc1ccc(C[C@@H](C)NCc2occc2C)s1 ZINC000135190094 358824324 /nfs/dbraw/zinc/82/43/24/358824324.db2.gz ZUEVBLKPLUGSST-LLVKDONJSA-N 0 3 249.379 3.679 20 0 BHADHN CCC[C@@H]1[C@H](C)CCCN1Cc1nccs1 ZINC000135202852 358826544 /nfs/dbraw/zinc/82/65/44/358826544.db2.gz ZVHROPTVIVXFKE-VXGBXAGGSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@H]1[C@H](C)CCCN1Cc1nccs1 ZINC000135202873 358826511 /nfs/dbraw/zinc/82/65/11/358826511.db2.gz ZVHROPTVIVXFKE-NEPJUHHUSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1nccs1 ZINC000135202895 358826505 /nfs/dbraw/zinc/82/65/05/358826505.db2.gz ZVHROPTVIVXFKE-NWDGAFQWSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@H]1[C@@H](C)CCCN1Cc1nccs1 ZINC000135202920 358826508 /nfs/dbraw/zinc/82/65/08/358826508.db2.gz ZVHROPTVIVXFKE-RYUDHWBXSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)C[C@@H]1CCCCN1Cc1nccs1 ZINC000135211276 358826517 /nfs/dbraw/zinc/82/65/17/358826517.db2.gz VFHCTAGVKYNLLP-LBPRGKRZSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)C[C@H]1CCCCN1Cc1nccs1 ZINC000135211296 358826498 /nfs/dbraw/zinc/82/64/98/358826498.db2.gz VFHCTAGVKYNLLP-GFCCVEGCSA-N 0 3 238.400 3.544 20 0 BHADHN Cc1ccccc1C1CC(NCc2ccoc2)C1 ZINC000135235452 179256321 /nfs/dbraw/zinc/25/63/21/179256321.db2.gz LSFCCENQZZYAEJ-UHFFFAOYSA-N 0 3 241.334 3.624 20 0 BHADHN CSC(C)(C)CNc1ccnc2ccccc21 ZINC000135361394 592009849 /nfs/dbraw/zinc/00/98/49/592009849.db2.gz HDWDAKZEDFHEEC-UHFFFAOYSA-N 0 3 246.379 3.788 20 0 BHADHN c1ccc(CNCc2cncc3ccccc32)cc1 ZINC000135370713 592010206 /nfs/dbraw/zinc/01/02/06/592010206.db2.gz WRQMJFAJPLRXCI-UHFFFAOYSA-N 0 3 248.329 3.525 20 0 BHADHN CSC(C)(C)CNCc1cc2ccccc2o1 ZINC000135384796 592011117 /nfs/dbraw/zinc/01/11/17/592011117.db2.gz BQFQSNXAROYRDR-UHFFFAOYSA-N 0 3 249.379 3.664 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cnccc2C)cc1 ZINC000135452056 384445299 /nfs/dbraw/zinc/44/52/99/384445299.db2.gz GLKDFLLLFCVJNV-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@H](C)NCc2cnccc2C)cc1 ZINC000135452068 384444821 /nfs/dbraw/zinc/44/48/21/384444821.db2.gz GLKDFLLLFCVJNV-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN CC[C@H](NCc1cnccc1C)c1ccccc1 ZINC000135458604 384444770 /nfs/dbraw/zinc/44/47/70/384444770.db2.gz ALZLXVNEOHUSGP-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1cnccc1C)c1ccccc1 ZINC000135458628 345442317 /nfs/dbraw/zinc/44/23/17/345442317.db2.gz ALZLXVNEOHUSGP-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN Cc1cccc([C@@H](C)NCc2cnccc2C)c1 ZINC000135467493 358839958 /nfs/dbraw/zinc/83/99/58/358839958.db2.gz MLPUNMCUBOQXGE-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc([C@H](C)NCc2cnccc2C)c1 ZINC000135467512 358839701 /nfs/dbraw/zinc/83/97/01/358839701.db2.gz MLPUNMCUBOQXGE-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN CCC1(NCc2ccc([C@@H]3C[C@@H]3C)o2)CCC1 ZINC000135624301 388502349 /nfs/dbraw/zinc/50/23/49/388502349.db2.gz HRIMFRNOOYVGAK-WCQYABFASA-N 0 3 233.355 3.825 20 0 BHADHN CCC1(NCc2ccc([C@H]3C[C@@H]3C)o2)CCC1 ZINC000135624328 388503070 /nfs/dbraw/zinc/50/30/70/388503070.db2.gz HRIMFRNOOYVGAK-AAEUAGOBSA-N 0 3 233.355 3.825 20 0 BHADHN CCC1(NCc2ccc([C@@H]3C[C@H]3C)o2)CCC1 ZINC000135624351 388502414 /nfs/dbraw/zinc/50/24/14/388502414.db2.gz HRIMFRNOOYVGAK-DGCLKSJQSA-N 0 3 233.355 3.825 20 0 BHADHN CCC1(NCc2ccc([C@H]3C[C@H]3C)o2)CCC1 ZINC000135624375 325420693 /nfs/dbraw/zinc/42/06/93/325420693.db2.gz HRIMFRNOOYVGAK-YPMHNXCESA-N 0 3 233.355 3.825 20 0 BHADHN CC[C@@H]1CCCCC[N@H+]1Cc1cccc([O-])c1 ZINC000135644669 388503873 /nfs/dbraw/zinc/50/38/73/388503873.db2.gz IXHDFPAJZIMREO-CQSZACIVSA-N 0 3 233.355 3.547 20 0 BHADHN CC[C@@H]1CCCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000135644669 388503870 /nfs/dbraw/zinc/50/38/70/388503870.db2.gz IXHDFPAJZIMREO-CQSZACIVSA-N 0 3 233.355 3.547 20 0 BHADHN CC[C@H]1CCCCC[N@H+]1Cc1cccc([O-])c1 ZINC000135644700 388504086 /nfs/dbraw/zinc/50/40/86/388504086.db2.gz IXHDFPAJZIMREO-AWEZNQCLSA-N 0 3 233.355 3.547 20 0 BHADHN CC[C@H]1CCCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000135644700 388504082 /nfs/dbraw/zinc/50/40/82/388504082.db2.gz IXHDFPAJZIMREO-AWEZNQCLSA-N 0 3 233.355 3.547 20 0 BHADHN c1ccc2c(c1)nccc2N[C@@H]1CCCSC1 ZINC000135660308 325421594 /nfs/dbraw/zinc/42/15/94/325421594.db2.gz LMSJPSCJGITOHC-LLVKDONJSA-N 0 3 244.363 3.542 20 0 BHADHN c1ccc2c(c1)nccc2N[C@H]1CCCSC1 ZINC000135660345 388504357 /nfs/dbraw/zinc/50/43/57/388504357.db2.gz LMSJPSCJGITOHC-NSHDSACASA-N 0 3 244.363 3.542 20 0 BHADHN CC[C@@H](C)CN[C@@H](C)c1c(F)cccc1OC ZINC000135667387 388504178 /nfs/dbraw/zinc/50/41/78/388504178.db2.gz GMHFSPLYNYJUCV-MNOVXSKESA-N 0 3 239.334 3.531 20 0 BHADHN CC[C@H](C)CN[C@@H](C)c1c(F)cccc1OC ZINC000135667425 388504253 /nfs/dbraw/zinc/50/42/53/388504253.db2.gz GMHFSPLYNYJUCV-QWRGUYRKSA-N 0 3 239.334 3.531 20 0 BHADHN CC[C@@H](C)CN[C@H](C)c1c(F)cccc1OC ZINC000135667457 388504598 /nfs/dbraw/zinc/50/45/98/388504598.db2.gz GMHFSPLYNYJUCV-GHMZBOCLSA-N 0 3 239.334 3.531 20 0 BHADHN CC[C@H](C)CN[C@H](C)c1c(F)cccc1OC ZINC000135667492 388503726 /nfs/dbraw/zinc/50/37/26/388503726.db2.gz GMHFSPLYNYJUCV-WDEREUQCSA-N 0 3 239.334 3.531 20 0 BHADHN CC[C@@H]1CCCCC[N@H+]1Cc1ccc([O-])cc1 ZINC000135904187 491132755 /nfs/dbraw/zinc/13/27/55/491132755.db2.gz SLBUMZFSGPOLSB-CQSZACIVSA-N 0 3 233.355 3.547 20 0 BHADHN CC[C@@H]1CCCCC[N@@H+]1Cc1ccc([O-])cc1 ZINC000135904187 491132754 /nfs/dbraw/zinc/13/27/54/491132754.db2.gz SLBUMZFSGPOLSB-CQSZACIVSA-N 0 3 233.355 3.547 20 0 BHADHN CC[C@H]1CCCCC[N@H+]1Cc1ccc([O-])cc1 ZINC000135904203 538117467 /nfs/dbraw/zinc/11/74/67/538117467.db2.gz SLBUMZFSGPOLSB-AWEZNQCLSA-N 0 3 233.355 3.547 20 0 BHADHN CC[C@H]1CCCCC[N@@H+]1Cc1ccc([O-])cc1 ZINC000135904203 538117466 /nfs/dbraw/zinc/11/74/66/538117466.db2.gz SLBUMZFSGPOLSB-AWEZNQCLSA-N 0 3 233.355 3.547 20 0 BHADHN CCC(C)(C)NCc1csc(C(C)(C)C)n1 ZINC000135983607 388518092 /nfs/dbraw/zinc/51/80/92/388518092.db2.gz GRNAOWDFCLENGK-UHFFFAOYSA-N 0 3 240.416 3.719 20 0 BHADHN CC[C@](C)(NCc1cncs1)c1ccccc1 ZINC000136089170 592093389 /nfs/dbraw/zinc/09/33/89/592093389.db2.gz IZBQOYNSPCMTRI-AWEZNQCLSA-N 0 3 246.379 3.558 20 0 BHADHN CC[C@@](C)(NCc1cncs1)c1ccccc1 ZINC000136089203 592093611 /nfs/dbraw/zinc/09/36/11/592093611.db2.gz IZBQOYNSPCMTRI-CQSZACIVSA-N 0 3 246.379 3.558 20 0 BHADHN C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccco1 ZINC000136162825 176240470 /nfs/dbraw/zinc/24/04/70/176240470.db2.gz WWTHDWUCQPLGGK-MLGOLLRUSA-N 0 3 241.334 3.693 20 0 BHADHN C[C@H]1CCc2ccccc2[C@@H]1NCc1ccco1 ZINC000136162858 177210068 /nfs/dbraw/zinc/21/00/68/177210068.db2.gz WWTHDWUCQPLGGK-BLLLJJGKSA-N 0 3 241.334 3.693 20 0 BHADHN C[C@@H]1CCc2ccccc2[C@H]1NCc1ccco1 ZINC000136162896 176240249 /nfs/dbraw/zinc/24/02/49/176240249.db2.gz WWTHDWUCQPLGGK-WBMJQRKESA-N 0 3 241.334 3.693 20 0 BHADHN C[C@H]1CCc2ccccc2[C@H]1NCc1ccco1 ZINC000136162932 177210040 /nfs/dbraw/zinc/21/00/40/177210040.db2.gz WWTHDWUCQPLGGK-LRDDRELGSA-N 0 3 241.334 3.693 20 0 BHADHN CCC[C@@H](C)NCc1csc(C(C)(C)C)n1 ZINC000136206624 345487929 /nfs/dbraw/zinc/48/79/29/345487929.db2.gz HQGQIUZIVXPAEY-SNVBAGLBSA-N 0 3 240.416 3.719 20 0 BHADHN CCC[C@H](C)NCc1csc(C(C)(C)C)n1 ZINC000136206663 345961656 /nfs/dbraw/zinc/96/16/56/345961656.db2.gz HQGQIUZIVXPAEY-JTQLQIEISA-N 0 3 240.416 3.719 20 0 BHADHN CC(C)(C)CNCc1csc(C(C)(C)C)n1 ZINC000136208752 325445506 /nfs/dbraw/zinc/44/55/06/325445506.db2.gz KJTFODIJNCHQCR-UHFFFAOYSA-N 0 3 240.416 3.576 20 0 BHADHN C[C@@H](CNCc1c(F)cccc1Cl)C1CC1 ZINC000136214518 346170404 /nfs/dbraw/zinc/17/04/04/346170404.db2.gz LKRMTAIREXEDCF-VIFPVBQESA-N 0 3 241.737 3.615 20 0 BHADHN C[C@H](CNCc1c(F)cccc1Cl)C1CC1 ZINC000136214556 346170700 /nfs/dbraw/zinc/17/07/00/346170700.db2.gz LKRMTAIREXEDCF-SECBINFHSA-N 0 3 241.737 3.615 20 0 BHADHN C[C@@H]1C[C@@H]1CNCc1ccc(Cl)cc1Cl ZINC000136249820 388528565 /nfs/dbraw/zinc/52/85/65/388528565.db2.gz ZUXUBWQJYQIMED-PSASIEDQSA-N 0 3 244.165 3.739 20 0 BHADHN C[C@H]1C[C@@H]1CNCc1ccc(Cl)cc1Cl ZINC000136249863 325447303 /nfs/dbraw/zinc/44/73/03/325447303.db2.gz ZUXUBWQJYQIMED-WCBMZHEXSA-N 0 3 244.165 3.739 20 0 BHADHN C[C@@H]1C[C@H]1CNCc1ccc(Cl)cc1Cl ZINC000136249894 388528463 /nfs/dbraw/zinc/52/84/63/388528463.db2.gz ZUXUBWQJYQIMED-SCZZXKLOSA-N 0 3 244.165 3.739 20 0 BHADHN C[C@H]1C[C@H]1CNCc1ccc(Cl)cc1Cl ZINC000136249943 325447356 /nfs/dbraw/zinc/44/73/56/325447356.db2.gz ZUXUBWQJYQIMED-WPRPVWTQSA-N 0 3 244.165 3.739 20 0 BHADHN C[C@@H]1C[C@@H]1CNCc1cccc(Cl)c1Cl ZINC000136249989 388528572 /nfs/dbraw/zinc/52/85/72/388528572.db2.gz ZQGGKEOWALAXBB-PSASIEDQSA-N 0 3 244.165 3.739 20 0 BHADHN C[C@H]1C[C@@H]1CNCc1cccc(Cl)c1Cl ZINC000136250040 325447516 /nfs/dbraw/zinc/44/75/16/325447516.db2.gz ZQGGKEOWALAXBB-WCBMZHEXSA-N 0 3 244.165 3.739 20 0 BHADHN C[C@@H]1C[C@H]1CNCc1cccc(Cl)c1Cl ZINC000136250081 388528267 /nfs/dbraw/zinc/52/82/67/388528267.db2.gz ZQGGKEOWALAXBB-SCZZXKLOSA-N 0 3 244.165 3.739 20 0 BHADHN C[C@H]1C[C@H]1CNCc1cccc(Cl)c1Cl ZINC000136250133 388527938 /nfs/dbraw/zinc/52/79/38/388527938.db2.gz ZQGGKEOWALAXBB-WPRPVWTQSA-N 0 3 244.165 3.739 20 0 BHADHN CCC1(NCc2cc(F)c(F)cc2F)CCC1 ZINC000136276955 325448689 /nfs/dbraw/zinc/44/86/89/325448689.db2.gz JPZIWRXJJQSYED-UHFFFAOYSA-N 0 3 243.272 3.526 20 0 BHADHN C1=CCC(NCc2cnc(C3CCCC3)s2)C1 ZINC000136342688 491056189 /nfs/dbraw/zinc/05/61/89/491056189.db2.gz KYELKCKSGCBOEP-UHFFFAOYSA-N 0 3 248.395 3.609 20 0 BHADHN Cc1ccc(-c2ccc(CNCCCF)o2)cc1 ZINC000136512819 388540011 /nfs/dbraw/zinc/54/00/11/388540011.db2.gz XXBZLBHHBYEZHQ-UHFFFAOYSA-N 0 3 247.313 3.704 20 0 BHADHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@@H](C)c1ncc[nH]1 ZINC000138918013 191204746 /nfs/dbraw/zinc/20/47/46/191204746.db2.gz GSTWCCIGJOGVDD-XJFOESAGSA-N 0 3 249.402 3.521 20 0 BHADHN CC(C)[C@@H]1CCC[C@H](N[C@@H](C)c2ncc[nH]2)CC1 ZINC000138940870 191208705 /nfs/dbraw/zinc/20/87/05/191208705.db2.gz BVUDBTGOUIXQJJ-MJBXVCDLSA-N 0 3 249.402 3.665 20 0 BHADHN CC(C)[C@H]1CCC[C@H](N[C@@H](C)c2ncc[nH]2)CC1 ZINC000138940962 191209388 /nfs/dbraw/zinc/20/93/88/191209388.db2.gz BVUDBTGOUIXQJJ-IHRRRGAJSA-N 0 3 249.402 3.665 20 0 BHADHN CC(C)[C@@H]1CCC[C@@H](N[C@@H](C)c2ncc[nH]2)CC1 ZINC000138941048 191209102 /nfs/dbraw/zinc/20/91/02/191209102.db2.gz BVUDBTGOUIXQJJ-BFHYXJOUSA-N 0 3 249.402 3.665 20 0 BHADHN CC(C)[C@H]1CCC[C@@H](N[C@@H](C)c2ncc[nH]2)CC1 ZINC000138941108 191208710 /nfs/dbraw/zinc/20/87/10/191208710.db2.gz BVUDBTGOUIXQJJ-MELADBBJSA-N 0 3 249.402 3.665 20 0 BHADHN C[C@H](NC1CC(C)(C)CC(C)(C)C1)c1ncc[nH]1 ZINC000138967095 491129861 /nfs/dbraw/zinc/12/98/61/491129861.db2.gz XTRUDSBNDVXMBM-NSHDSACASA-N 0 3 249.402 3.665 20 0 BHADHN C[C@@H](NC1CC(C)(C)CC(C)(C)C1)c1ncc[nH]1 ZINC000138967175 491129855 /nfs/dbraw/zinc/12/98/55/491129855.db2.gz XTRUDSBNDVXMBM-LLVKDONJSA-N 0 3 249.402 3.665 20 0 BHADHN C[C@H](N[C@@H]1CCCC[C@@H]1C(C)(C)C)c1ncc[nH]1 ZINC000139000831 191235763 /nfs/dbraw/zinc/23/57/63/191235763.db2.gz ITNONJASVNEAGV-RWMBFGLXSA-N 0 3 249.402 3.665 20 0 BHADHN C[C@H](N[C@H]1CCCC[C@@H]1C(C)(C)C)c1ncc[nH]1 ZINC000139001050 191235611 /nfs/dbraw/zinc/23/56/11/191235611.db2.gz ITNONJASVNEAGV-AVGNSLFASA-N 0 3 249.402 3.665 20 0 BHADHN CC(C)CC(CC(C)C)N[C@@H](C)c1ncc[nH]1 ZINC000139004470 491130185 /nfs/dbraw/zinc/13/01/85/491130185.db2.gz QVMOLLDJSJEAEV-LBPRGKRZSA-N 0 3 237.391 3.521 20 0 BHADHN CC(C)CC(CC(C)C)N[C@H](C)c1ncc[nH]1 ZINC000139004550 491130161 /nfs/dbraw/zinc/13/01/61/491130161.db2.gz QVMOLLDJSJEAEV-GFCCVEGCSA-N 0 3 237.391 3.521 20 0 BHADHN c1ccc2c(c1)nccc2N1CCCCCC1 ZINC000140122790 345699956 /nfs/dbraw/zinc/69/99/56/345699956.db2.gz KUSSMOXEUKVFHT-UHFFFAOYSA-N 0 3 226.323 3.615 20 0 BHADHN C#Cc1ccc(CN[C@@H](C)c2ccccc2)cc1 ZINC000141271575 583552076 /nfs/dbraw/zinc/55/20/76/583552076.db2.gz YUDSUXQZQAJPCD-AWEZNQCLSA-N 0 3 235.330 3.519 20 0 BHADHN c1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC000141988973 345703670 /nfs/dbraw/zinc/70/36/70/345703670.db2.gz FWUZFIHIWKVHPD-MRXNPFEDSA-N 0 3 223.319 3.634 20 0 BHADHN c1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000141989174 345703495 /nfs/dbraw/zinc/70/34/95/345703495.db2.gz FWUZFIHIWKVHPD-INIZCTEOSA-N 0 3 223.319 3.634 20 0 BHADHN CC(C)(C)CCCN1Cc2ccccc2C1 ZINC000142114890 358567640 /nfs/dbraw/zinc/56/76/40/358567640.db2.gz FMQRXEPDFVDIRZ-UHFFFAOYSA-N 0 3 217.356 3.829 20 0 BHADHN CN(C)Cc1c2ccccc2[nH]c1C(C)(C)C ZINC000142197836 343106492 /nfs/dbraw/zinc/10/64/92/343106492.db2.gz QDILZKOLLSNVKF-UHFFFAOYSA-N 0 3 230.355 3.527 20 0 BHADHN C[C@@H](NCc1ccnc(Cl)c1)c1ccccc1 ZINC000142879516 583661455 /nfs/dbraw/zinc/66/14/55/583661455.db2.gz FBHNTNIVDDEDBU-LLVKDONJSA-N 0 3 246.741 3.586 20 0 BHADHN CC(C)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000143270883 364652307 /nfs/dbraw/zinc/65/23/07/364652307.db2.gz NWEGNBKTAWAGNQ-UHFFFAOYSA-N 0 3 235.758 3.838 20 0 BHADHN CC(C)N(Cc1ccccc1Cl)C(C)C ZINC000143709223 537922490 /nfs/dbraw/zinc/92/24/90/537922490.db2.gz GKMYBMAMNMQOOY-UHFFFAOYSA-N 0 3 225.763 3.959 20 0 BHADHN CN1CC=C(c2cc3ccccc3s2)CC1 ZINC000144240219 345708890 /nfs/dbraw/zinc/70/88/90/345708890.db2.gz STLRSILSSLIZAE-UHFFFAOYSA-N 0 3 229.348 3.620 20 0 BHADHN CN(Cc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000144746911 345709439 /nfs/dbraw/zinc/70/94/39/345709439.db2.gz GWMKVNWXQAYKKI-UHFFFAOYSA-N 0 3 217.356 3.578 20 0 BHADHN CC(C)C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000146833061 491065760 /nfs/dbraw/zinc/06/57/60/491065760.db2.gz WIUSYXZNPIISCH-ZDUSSCGKSA-N 0 3 232.371 3.511 20 0 BHADHN CC(C)C1CCN([C@H](C)c2ccncc2)CC1 ZINC000146833261 491065819 /nfs/dbraw/zinc/06/58/19/491065819.db2.gz WIUSYXZNPIISCH-CYBMUJFWSA-N 0 3 232.371 3.511 20 0 BHADHN CC(C)CCCCN[C@@H](C)c1ccccn1 ZINC000147344668 583456880 /nfs/dbraw/zinc/45/68/80/583456880.db2.gz HSQCPJMDOYZXGV-ZDUSSCGKSA-N 0 3 220.360 3.559 20 0 BHADHN CC(C)CCCCN[C@H](C)c1ccccn1 ZINC000147344842 583463379 /nfs/dbraw/zinc/46/33/79/583463379.db2.gz HSQCPJMDOYZXGV-CYBMUJFWSA-N 0 3 220.360 3.559 20 0 BHADHN CC[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000147618656 345717937 /nfs/dbraw/zinc/71/79/37/345717937.db2.gz HAGRDGKXTQNSCK-CYBMUJFWSA-N 0 3 223.747 3.714 20 0 BHADHN CC[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000147618859 345717827 /nfs/dbraw/zinc/71/78/27/345717827.db2.gz HAGRDGKXTQNSCK-ZDUSSCGKSA-N 0 3 223.747 3.714 20 0 BHADHN C#CCN(CC)C(c1ccccc1)c1ccccc1 ZINC000147866356 583782750 /nfs/dbraw/zinc/78/27/50/583782750.db2.gz LKSIIQAQSAABEO-UHFFFAOYSA-N 0 3 249.357 3.731 20 0 BHADHN c1ccc2cc(CN3CC=CCC3)ccc2c1 ZINC000147957353 537957592 /nfs/dbraw/zinc/95/75/92/537957592.db2.gz QVKPNTPQUOMWKB-UHFFFAOYSA-N 0 3 223.319 3.602 20 0 BHADHN Cc1cccc2c1CCN(Cc1cccs1)C2 ZINC000148120968 583869013 /nfs/dbraw/zinc/86/90/13/583869013.db2.gz ADMARRSHRZWCNE-UHFFFAOYSA-N 0 3 243.375 3.615 20 0 BHADHN Cc1cccc2c1CCN(Cc1ccccc1)C2 ZINC000148140205 583875530 /nfs/dbraw/zinc/87/55/30/583875530.db2.gz YLBLHOJXWOVCRX-UHFFFAOYSA-N 0 3 237.346 3.553 20 0 BHADHN CC[C@@H](C)C[N@@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000148318579 387594886 /nfs/dbraw/zinc/59/48/86/387594886.db2.gz WKJFXMRHVYHVGU-OLZOCXBDSA-N 0 3 235.371 3.821 20 0 BHADHN CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000148318579 387594879 /nfs/dbraw/zinc/59/48/79/387594879.db2.gz WKJFXMRHVYHVGU-OLZOCXBDSA-N 0 3 235.371 3.821 20 0 BHADHN CC[C@H](C)C[N@@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000148318789 387595092 /nfs/dbraw/zinc/59/50/92/387595092.db2.gz WKJFXMRHVYHVGU-STQMWFEESA-N 0 3 235.371 3.821 20 0 BHADHN CC[C@H](C)C[N@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000148318789 387595090 /nfs/dbraw/zinc/59/50/90/387595090.db2.gz WKJFXMRHVYHVGU-STQMWFEESA-N 0 3 235.371 3.821 20 0 BHADHN Cc1ccc([C@@H](C)NCCCCC(F)(F)F)o1 ZINC000148807233 387632749 /nfs/dbraw/zinc/63/27/49/387632749.db2.gz QTNXZPSDDYYPNA-SNVBAGLBSA-N 0 3 249.276 3.971 20 0 BHADHN Cc1ccc([C@H](C)NCCCCC(F)(F)F)o1 ZINC000148807409 386176883 /nfs/dbraw/zinc/17/68/83/386176883.db2.gz QTNXZPSDDYYPNA-JTQLQIEISA-N 0 3 249.276 3.971 20 0 BHADHN Cc1nc([C@@H](C)NC[C@@H](C)C(C)(C)C)cs1 ZINC000148986349 538042891 /nfs/dbraw/zinc/04/28/91/538042891.db2.gz VNDHBCHIARWKNL-NXEZZACHSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1nc([C@H](C)NC[C@@H](C)C(C)(C)C)cs1 ZINC000148986542 538043012 /nfs/dbraw/zinc/04/30/12/538043012.db2.gz VNDHBCHIARWKNL-ZJUUUORDSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1nc([C@@H](C)NC[C@H](C)C(C)(C)C)cs1 ZINC000148986698 538042138 /nfs/dbraw/zinc/04/21/38/538042138.db2.gz VNDHBCHIARWKNL-VHSXEESVSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1nc([C@H](C)NC[C@H](C)C(C)(C)C)cs1 ZINC000148986913 538043387 /nfs/dbraw/zinc/04/33/87/538043387.db2.gz VNDHBCHIARWKNL-UWVGGRQHSA-N 0 3 240.416 3.784 20 0 BHADHN CCN[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000149021698 170141997 /nfs/dbraw/zinc/14/19/97/170141997.db2.gz IFLSPNIHUNBMJI-LBPRGKRZSA-N 0 3 242.322 3.544 20 0 BHADHN CCN[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000149021885 170159253 /nfs/dbraw/zinc/15/92/53/170159253.db2.gz IFLSPNIHUNBMJI-GFCCVEGCSA-N 0 3 242.322 3.544 20 0 BHADHN FC(F)c1ccc(CNCc2ccccc2)cc1 ZINC000150049783 387697352 /nfs/dbraw/zinc/69/73/52/387697352.db2.gz RWTZQLFUUXSXIP-UHFFFAOYSA-N 0 3 247.288 3.914 20 0 BHADHN CC[C@@H]1CCCCCN1Cc1csc(C)n1 ZINC000150739621 387758315 /nfs/dbraw/zinc/75/83/15/387758315.db2.gz WXZRAFJSZIRQIY-CYBMUJFWSA-N 0 3 238.400 3.606 20 0 BHADHN CC[C@H]1CCCCCN1Cc1csc(C)n1 ZINC000150739631 387758253 /nfs/dbraw/zinc/75/82/53/387758253.db2.gz WXZRAFJSZIRQIY-ZDUSSCGKSA-N 0 3 238.400 3.606 20 0 BHADHN CC(C)N(C)Cc1cnc(-c2ccccc2)s1 ZINC000150886809 188156588 /nfs/dbraw/zinc/15/65/88/188156588.db2.gz KUTINMGDKPRMQB-UHFFFAOYSA-N 0 3 246.379 3.650 20 0 BHADHN CC[C@@H](C)[C@@H](C)N[C@@H](CC)c1nc(C)cs1 ZINC000150950933 398235587 /nfs/dbraw/zinc/23/55/87/398235587.db2.gz BTCNAIMQPJOGPV-JLLWLGSASA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@@H](CC)c1nc(C)cs1 ZINC000150950969 398235761 /nfs/dbraw/zinc/23/57/61/398235761.db2.gz BTCNAIMQPJOGPV-WCQGTBRESA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@@H](C)[C@H](C)N[C@@H](CC)c1nc(C)cs1 ZINC000150951006 387785787 /nfs/dbraw/zinc/78/57/87/387785787.db2.gz BTCNAIMQPJOGPV-USWWRNFRSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@@H](CC)c1nc(C)cs1 ZINC000150951050 387785923 /nfs/dbraw/zinc/78/59/23/387785923.db2.gz BTCNAIMQPJOGPV-DLOVCJGASA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](N[C@@H](C)C(C)C)c1nc(C)cs1 ZINC000150962545 398235520 /nfs/dbraw/zinc/23/55/20/398235520.db2.gz MXBIFPWBQMGNJV-QWRGUYRKSA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@@H](N[C@@H](C)C(C)C)c1nc(C)cs1 ZINC000150962586 398235365 /nfs/dbraw/zinc/23/53/65/398235365.db2.gz MXBIFPWBQMGNJV-WDEREUQCSA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@H](N[C@H](C)C(C)C)c1nc(C)cs1 ZINC000150962648 398235699 /nfs/dbraw/zinc/23/56/99/398235699.db2.gz MXBIFPWBQMGNJV-MNOVXSKESA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@@H](N[C@H](C)C(C)C)c1nc(C)cs1 ZINC000150962704 346211191 /nfs/dbraw/zinc/21/11/91/346211191.db2.gz MXBIFPWBQMGNJV-GHMZBOCLSA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@H](N[C@@H](C)CC(C)C)c1nc(C)cs1 ZINC000150976147 192942959 /nfs/dbraw/zinc/94/29/59/192942959.db2.gz DSSRWDGSCBOVFT-JQWIXIFHSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@@H](N[C@@H](C)CC(C)C)c1nc(C)cs1 ZINC000150976202 387786749 /nfs/dbraw/zinc/78/67/49/387786749.db2.gz DSSRWDGSCBOVFT-CMPLNLGQSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](N[C@H](C)CC(C)C)c1nc(C)cs1 ZINC000150976247 191059670 /nfs/dbraw/zinc/05/96/70/191059670.db2.gz DSSRWDGSCBOVFT-PWSUYJOCSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@@H](N[C@H](C)CC(C)C)c1nc(C)cs1 ZINC000150976282 387787351 /nfs/dbraw/zinc/78/73/51/387787351.db2.gz DSSRWDGSCBOVFT-ZYHUDNBSSA-N 0 3 240.416 3.927 20 0 BHADHN CCC[C@@H](C)N[C@@H](CC)c1nc(C)cs1 ZINC000150978901 169370429 /nfs/dbraw/zinc/37/04/29/169370429.db2.gz QBUDUSHVLHBZKD-KOLCDFICSA-N 0 3 226.389 3.681 20 0 BHADHN CCC[C@H](C)N[C@@H](CC)c1nc(C)cs1 ZINC000150978940 169493683 /nfs/dbraw/zinc/49/36/83/169493683.db2.gz QBUDUSHVLHBZKD-ONGXEEELSA-N 0 3 226.389 3.681 20 0 BHADHN CCC[C@@H](C)N[C@H](CC)c1nc(C)cs1 ZINC000150978988 169371164 /nfs/dbraw/zinc/37/11/64/169371164.db2.gz QBUDUSHVLHBZKD-MWLCHTKSSA-N 0 3 226.389 3.681 20 0 BHADHN CCC[C@H](C)N[C@H](CC)c1nc(C)cs1 ZINC000150979031 387787373 /nfs/dbraw/zinc/78/73/73/387787373.db2.gz QBUDUSHVLHBZKD-GXSJLCMTSA-N 0 3 226.389 3.681 20 0 BHADHN CC[C@H](N[C@@H](CC)C(C)C)c1nc(C)cs1 ZINC000150998069 387791240 /nfs/dbraw/zinc/79/12/40/387791240.db2.gz DLGVYOSXKOOXBX-RYUDHWBXSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@@H](N[C@@H](CC)C(C)C)c1nc(C)cs1 ZINC000150998118 387790625 /nfs/dbraw/zinc/79/06/25/387790625.db2.gz DLGVYOSXKOOXBX-NWDGAFQWSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@@H](N[C@@H](CC)c1nc(C)cs1)C(C)C ZINC000150998162 192943949 /nfs/dbraw/zinc/94/39/49/192943949.db2.gz DLGVYOSXKOOXBX-NEPJUHHUSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@@H](N[C@H](CC)C(C)C)c1nc(C)cs1 ZINC000150998207 387791273 /nfs/dbraw/zinc/79/12/73/387791273.db2.gz DLGVYOSXKOOXBX-VXGBXAGGSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](N[C@@H](CC)C1CC1)c1nc(C)cs1 ZINC000151018087 537929155 /nfs/dbraw/zinc/92/91/55/537929155.db2.gz ZEIKUBIDEVAVDC-RYUDHWBXSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H](N[C@@H](CC)C1CC1)c1nc(C)cs1 ZINC000151018130 537928237 /nfs/dbraw/zinc/92/82/37/537928237.db2.gz ZEIKUBIDEVAVDC-NWDGAFQWSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H](N[C@@H](CC)c1nc(C)cs1)C1CC1 ZINC000151018184 537929221 /nfs/dbraw/zinc/92/92/21/537929221.db2.gz ZEIKUBIDEVAVDC-NEPJUHHUSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H](N[C@H](CC)C1CC1)c1nc(C)cs1 ZINC000151018227 537928473 /nfs/dbraw/zinc/92/84/73/537928473.db2.gz ZEIKUBIDEVAVDC-VXGBXAGGSA-N 0 3 238.400 3.681 20 0 BHADHN Clc1ccc(CN[C@H]2C=CCCC2)s1 ZINC000151146215 387802407 /nfs/dbraw/zinc/80/24/07/387802407.db2.gz HCZMJJPLBOVMMT-VIFPVBQESA-N 0 3 227.760 3.600 20 0 BHADHN Clc1ccc(CN[C@@H]2C=CCCC2)s1 ZINC000151146276 398072443 /nfs/dbraw/zinc/07/24/43/398072443.db2.gz HCZMJJPLBOVMMT-SECBINFHSA-N 0 3 227.760 3.600 20 0 BHADHN Clc1ccccc1CN[C@H]1C=CCCC1 ZINC000151150224 387802209 /nfs/dbraw/zinc/80/22/09/387802209.db2.gz UYARAUBBNNYVSU-LBPRGKRZSA-N 0 3 221.731 3.538 20 0 BHADHN Clc1ccccc1CN[C@@H]1C=CCCC1 ZINC000151150278 387801271 /nfs/dbraw/zinc/80/12/71/387801271.db2.gz UYARAUBBNNYVSU-GFCCVEGCSA-N 0 3 221.731 3.538 20 0 BHADHN Clc1cccc(CN[C@H]2C=CCCC2)c1 ZINC000151170054 387804758 /nfs/dbraw/zinc/80/47/58/387804758.db2.gz SAMGCUCIPICBSY-ZDUSSCGKSA-N 0 3 221.731 3.538 20 0 BHADHN Clc1cccc(CN[C@@H]2C=CCCC2)c1 ZINC000151170122 387804848 /nfs/dbraw/zinc/80/48/48/387804848.db2.gz SAMGCUCIPICBSY-CYBMUJFWSA-N 0 3 221.731 3.538 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2C=CCCC2)o1 ZINC000151181629 323012676 /nfs/dbraw/zinc/01/26/76/323012676.db2.gz QURGYUDMYFEQNQ-DYEKYZERSA-N 0 3 231.339 3.601 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2C=CCCC2)o1 ZINC000151181761 323012764 /nfs/dbraw/zinc/01/27/64/323012764.db2.gz QURGYUDMYFEQNQ-MBNYWOFBSA-N 0 3 231.339 3.601 20 0 BHADHN Cc1ccc([C@@H]2C[C@H](C)CCN2CCCF)o1 ZINC000151186361 384551894 /nfs/dbraw/zinc/55/18/94/384551894.db2.gz XRUMWRIHQDCFGN-YPMHNXCESA-N 0 3 239.334 3.721 20 0 BHADHN Cc1ccc([C@H]2C[C@H](C)CCN2CCCF)o1 ZINC000151186424 384551049 /nfs/dbraw/zinc/55/10/49/384551049.db2.gz XRUMWRIHQDCFGN-DGCLKSJQSA-N 0 3 239.334 3.721 20 0 BHADHN Cc1ccc([C@@H]2C[C@@H](C)CCN2CCCF)o1 ZINC000151186484 384550994 /nfs/dbraw/zinc/55/09/94/384550994.db2.gz XRUMWRIHQDCFGN-AAEUAGOBSA-N 0 3 239.334 3.721 20 0 BHADHN Cc1ccc([C@H]2C[C@@H](C)CCN2CCCF)o1 ZINC000151186551 384551347 /nfs/dbraw/zinc/55/13/47/384551347.db2.gz XRUMWRIHQDCFGN-WCQYABFASA-N 0 3 239.334 3.721 20 0 BHADHN CC(C)N(Cc1ccc(F)cc1F)C(C)C ZINC000151331287 384565029 /nfs/dbraw/zinc/56/50/29/384565029.db2.gz YPLZIUAYPLZUDB-UHFFFAOYSA-N 0 3 227.298 3.584 20 0 BHADHN FCCCN1CCC(=Cc2ccccc2)CC1 ZINC000151480543 384573389 /nfs/dbraw/zinc/57/33/89/384573389.db2.gz XGZOKQNOSHVPFF-UHFFFAOYSA-N 0 3 233.330 3.525 20 0 BHADHN CCC(CC)NCc1cc(-c2ccccc2)on1 ZINC000151621648 323020782 /nfs/dbraw/zinc/02/07/82/323020782.db2.gz RZOLEZDVUWDCIN-UHFFFAOYSA-N 0 3 244.338 3.620 20 0 BHADHN C1=CCC(NCc2ccc(-c3ccccc3)o2)C1 ZINC000151987670 538072781 /nfs/dbraw/zinc/07/27/81/538072781.db2.gz JUHSMVPDMVCXMY-UHFFFAOYSA-N 0 3 239.318 3.755 20 0 BHADHN CC(C)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000152013901 167131939 /nfs/dbraw/zinc/13/19/39/167131939.db2.gz MVSWSZDBIHNFAR-NSHDSACASA-N 0 3 246.379 3.869 20 0 BHADHN CC(C)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000152013969 167138185 /nfs/dbraw/zinc/13/81/85/167138185.db2.gz MVSWSZDBIHNFAR-LLVKDONJSA-N 0 3 246.379 3.869 20 0 BHADHN Cc1ccc(CC[C@@H](C)NCc2ccco2)cc1 ZINC000152022637 323101992 /nfs/dbraw/zinc/10/19/92/323101992.db2.gz PBJWVMAVJPMSLT-CQSZACIVSA-N 0 3 243.350 3.699 20 0 BHADHN Cc1ccc(CC[C@H](C)NCc2ccco2)cc1 ZINC000152022710 323101999 /nfs/dbraw/zinc/10/19/99/323101999.db2.gz PBJWVMAVJPMSLT-AWEZNQCLSA-N 0 3 243.350 3.699 20 0 BHADHN C[C@@H](CCc1ccccc1F)NCc1ccco1 ZINC000152037571 323106785 /nfs/dbraw/zinc/10/67/85/323106785.db2.gz YFFFAQGBLAPHQL-LBPRGKRZSA-N 0 3 247.313 3.530 20 0 BHADHN C[C@H](CCc1ccccc1F)NCc1ccco1 ZINC000152037652 323106765 /nfs/dbraw/zinc/10/67/65/323106765.db2.gz YFFFAQGBLAPHQL-GFCCVEGCSA-N 0 3 247.313 3.530 20 0 BHADHN c1c[nH]c([C@@H]2CCCCN2CC2CCCCC2)n1 ZINC000152043077 384922773 /nfs/dbraw/zinc/92/27/73/384922773.db2.gz BSPWGACXRIHKQN-AWEZNQCLSA-N 0 3 247.386 3.517 20 0 BHADHN c1c[nH]c([C@H]2CCCCN2CC2CCCCC2)n1 ZINC000152043157 183327666 /nfs/dbraw/zinc/32/76/66/183327666.db2.gz BSPWGACXRIHKQN-CQSZACIVSA-N 0 3 247.386 3.517 20 0 BHADHN C[C@@H](CCc1ccc(F)cc1)NCc1ccco1 ZINC000152051398 323109071 /nfs/dbraw/zinc/10/90/71/323109071.db2.gz JTCJLJFAIFHDLD-LBPRGKRZSA-N 0 3 247.313 3.530 20 0 BHADHN C[C@H](CCc1ccc(F)cc1)NCc1ccco1 ZINC000152051476 323109042 /nfs/dbraw/zinc/10/90/42/323109042.db2.gz JTCJLJFAIFHDLD-GFCCVEGCSA-N 0 3 247.313 3.530 20 0 BHADHN CCN(CCCCC(F)(F)F)Cc1ccoc1 ZINC000152182388 538092020 /nfs/dbraw/zinc/09/20/20/538092020.db2.gz COWAOJRBLFQUAW-UHFFFAOYSA-N 0 3 249.276 3.834 20 0 BHADHN CC[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000152193418 201191366 /nfs/dbraw/zinc/19/13/66/201191366.db2.gz XYLYWEPXKACLBY-ZJUUUORDSA-N 0 3 241.762 3.798 20 0 BHADHN CC[C@H](C)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000152193505 201191207 /nfs/dbraw/zinc/19/12/07/201191207.db2.gz XYLYWEPXKACLBY-UWVGGRQHSA-N 0 3 241.762 3.798 20 0 BHADHN CC[C@@H](C)N[C@H](C)c1cc(Cl)ccc1OC ZINC000152193574 201191337 /nfs/dbraw/zinc/19/13/37/201191337.db2.gz XYLYWEPXKACLBY-NXEZZACHSA-N 0 3 241.762 3.798 20 0 BHADHN CC[C@H](C)N[C@H](C)c1cc(Cl)ccc1OC ZINC000152193649 191113718 /nfs/dbraw/zinc/11/37/18/191113718.db2.gz XYLYWEPXKACLBY-VHSXEESVSA-N 0 3 241.762 3.798 20 0 BHADHN CCCCCN[C@@H](C)c1cccnc1Cl ZINC000152216920 387881531 /nfs/dbraw/zinc/88/15/31/387881531.db2.gz CEONGFSWDIRXGO-JTQLQIEISA-N 0 3 226.751 3.576 20 0 BHADHN CCCCCN[C@H](C)c1cccnc1Cl ZINC000152216997 387881734 /nfs/dbraw/zinc/88/17/34/387881734.db2.gz CEONGFSWDIRXGO-SNVBAGLBSA-N 0 3 226.751 3.576 20 0 BHADHN CCC1(CNCc2nc(C)cs2)CCCC1 ZINC000152239161 201191904 /nfs/dbraw/zinc/19/19/04/201191904.db2.gz NQTKJUXVDJZWLN-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN CCC1(CNCc2csc(C)n2)CCCC1 ZINC000152242862 201192279 /nfs/dbraw/zinc/19/22/79/201192279.db2.gz CLQBSSMRSIIXMF-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN C[C@@H](CC(F)(F)F)N[C@@H]1CCCc2occc21 ZINC000152279631 201192952 /nfs/dbraw/zinc/19/29/52/201192952.db2.gz YNNYHEMIELZOMH-WCBMZHEXSA-N 0 3 247.260 3.588 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@@H]1CCCc2occc21 ZINC000152279704 201194832 /nfs/dbraw/zinc/19/48/32/201194832.db2.gz YNNYHEMIELZOMH-PSASIEDQSA-N 0 3 247.260 3.588 20 0 BHADHN C[C@@H](CC(F)(F)F)N[C@H]1CCCc2occc21 ZINC000152279786 201193638 /nfs/dbraw/zinc/19/36/38/201193638.db2.gz YNNYHEMIELZOMH-WPRPVWTQSA-N 0 3 247.260 3.588 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@H]1CCCc2occc21 ZINC000152279866 201193568 /nfs/dbraw/zinc/19/35/68/201193568.db2.gz YNNYHEMIELZOMH-SCZZXKLOSA-N 0 3 247.260 3.588 20 0 BHADHN CCC(CC)(CC)CNCc1csc(C)n1 ZINC000152505203 538104094 /nfs/dbraw/zinc/10/40/94/538104094.db2.gz XHKREUNBQXPOFU-UHFFFAOYSA-N 0 3 240.416 3.758 20 0 BHADHN CCC(CC)(CC)CNCc1nc(C)cs1 ZINC000152511586 538104406 /nfs/dbraw/zinc/10/44/06/538104406.db2.gz KYZMNMSWCRGAHA-UHFFFAOYSA-N 0 3 240.416 3.758 20 0 BHADHN CCC(CC)(CC)CNCc1c(C)noc1C ZINC000152514718 538104378 /nfs/dbraw/zinc/10/43/78/538104378.db2.gz MDOCIPYRUCWGDP-UHFFFAOYSA-N 0 3 238.375 3.597 20 0 BHADHN CCSCC[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000152861026 201212024 /nfs/dbraw/zinc/21/20/24/201212024.db2.gz DDJXAUFEXQSYKQ-PWSUYJOCSA-N 0 3 241.400 3.770 20 0 BHADHN CCSCC[C@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000152861107 201210594 /nfs/dbraw/zinc/21/05/94/201210594.db2.gz DDJXAUFEXQSYKQ-JQWIXIFHSA-N 0 3 241.400 3.770 20 0 BHADHN CCSCC[C@@H](C)N[C@H](C)c1ccc(C)o1 ZINC000152861210 201210993 /nfs/dbraw/zinc/21/09/93/201210993.db2.gz DDJXAUFEXQSYKQ-ZYHUDNBSSA-N 0 3 241.400 3.770 20 0 BHADHN CCSCC[C@H](C)N[C@H](C)c1ccc(C)o1 ZINC000152861321 201210765 /nfs/dbraw/zinc/21/07/65/201210765.db2.gz DDJXAUFEXQSYKQ-CMPLNLGQSA-N 0 3 241.400 3.770 20 0 BHADHN Fc1cccc(C2(NCc3ccccc3)CC2)c1 ZINC000152862446 385219403 /nfs/dbraw/zinc/21/94/03/385219403.db2.gz LCRQKYMSXBKXRU-UHFFFAOYSA-N 0 3 241.309 3.605 20 0 BHADHN C[C@H](NCc1ccccc1)c1ccnc(Cl)c1 ZINC000152960832 641675806 /nfs/dbraw/zinc/67/58/06/641675806.db2.gz QGFSVZWCNJYRPC-NSHDSACASA-N 0 3 246.741 3.586 20 0 BHADHN C[C@@H](NCc1ccccc1)c1ccnc(Cl)c1 ZINC000152960963 641673960 /nfs/dbraw/zinc/67/39/60/641673960.db2.gz QGFSVZWCNJYRPC-LLVKDONJSA-N 0 3 246.741 3.586 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@@H](C)CC(F)(F)F ZINC000153218104 201229949 /nfs/dbraw/zinc/22/99/49/201229949.db2.gz DINBGSBXTPJEGF-WDEREUQCSA-N 0 3 245.288 3.987 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@@H](C)CC(F)(F)F ZINC000153218186 201228569 /nfs/dbraw/zinc/22/85/69/201228569.db2.gz DINBGSBXTPJEGF-QWRGUYRKSA-N 0 3 245.288 3.987 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@H](C)CC(F)(F)F ZINC000153218278 201228617 /nfs/dbraw/zinc/22/86/17/201228617.db2.gz DINBGSBXTPJEGF-GHMZBOCLSA-N 0 3 245.288 3.987 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@H](C)CC(F)(F)F ZINC000153218381 201229351 /nfs/dbraw/zinc/22/93/51/201229351.db2.gz DINBGSBXTPJEGF-MNOVXSKESA-N 0 3 245.288 3.987 20 0 BHADHN CC[C@H](NCc1csc(C(C)C)n1)C1CC1 ZINC000153292761 538564813 /nfs/dbraw/zinc/56/48/13/538564813.db2.gz XCAUWDDIZMBDQI-LBPRGKRZSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@@H](NCc1csc(C(C)C)n1)C1CC1 ZINC000153292887 538565179 /nfs/dbraw/zinc/56/51/79/538565179.db2.gz XCAUWDDIZMBDQI-GFCCVEGCSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@@H](C)c1nccs1 ZINC000153337201 387889387 /nfs/dbraw/zinc/88/93/87/387889387.db2.gz ZHQJYXDLXIQAKH-RYUDHWBXSA-N 0 3 238.400 3.929 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@@H](C)c1nccs1 ZINC000153337315 387888434 /nfs/dbraw/zinc/88/84/34/387888434.db2.gz ZHQJYXDLXIQAKH-NEPJUHHUSA-N 0 3 238.400 3.929 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@H](C)c1nccs1 ZINC000153337428 187295120 /nfs/dbraw/zinc/29/51/20/187295120.db2.gz ZHQJYXDLXIQAKH-NWDGAFQWSA-N 0 3 238.400 3.929 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@H](C)c1nccs1 ZINC000153337541 188153992 /nfs/dbraw/zinc/15/39/92/188153992.db2.gz ZHQJYXDLXIQAKH-VXGBXAGGSA-N 0 3 238.400 3.929 20 0 BHADHN Cc1ccc(CN2CCC3(C2)CCCCC3)nc1 ZINC000153483732 344888148 /nfs/dbraw/zinc/88/81/48/344888148.db2.gz ZMSLPOLBXPRUAD-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN Cc1ccccc1[C@@H]1CCCN1Cc1ccco1 ZINC000153490642 388979396 /nfs/dbraw/zinc/97/93/96/388979396.db2.gz KVSCVQFEOOHZJQ-INIZCTEOSA-N 0 3 241.334 3.925 20 0 BHADHN Cc1ccccc1[C@H]1CCCN1Cc1ccco1 ZINC000153490731 388979444 /nfs/dbraw/zinc/97/94/44/388979444.db2.gz KVSCVQFEOOHZJQ-MRXNPFEDSA-N 0 3 241.334 3.925 20 0 BHADHN Cc1ccoc1CN1CCC[C@@H]1c1ccsc1 ZINC000153555255 326101921 /nfs/dbraw/zinc/10/19/21/326101921.db2.gz NMRNECKXBODKIG-CYBMUJFWSA-N 0 3 247.363 3.987 20 0 BHADHN Cc1ccoc1CN1CCC[C@H]1c1ccsc1 ZINC000153555363 326101813 /nfs/dbraw/zinc/10/18/13/326101813.db2.gz NMRNECKXBODKIG-ZDUSSCGKSA-N 0 3 247.363 3.987 20 0 BHADHN CC1(C)CCCN(CCCCC(F)(F)F)C1 ZINC000153597087 326103251 /nfs/dbraw/zinc/10/32/51/326103251.db2.gz BIPUUJVSYJWRFI-UHFFFAOYSA-N 0 3 237.309 3.841 20 0 BHADHN CCN(Cc1cnc(C(C)C)s1)CC(C)C ZINC000153687908 323052779 /nfs/dbraw/zinc/05/27/79/323052779.db2.gz VWFUIHVZMHXVRC-UHFFFAOYSA-N 0 3 240.416 3.744 20 0 BHADHN CN(Cc1ccccc1OC1CCCC1)C1CC1 ZINC000153755611 326111767 /nfs/dbraw/zinc/11/17/67/326111767.db2.gz KWTRGMIAOSDNQW-UHFFFAOYSA-N 0 3 245.366 3.602 20 0 BHADHN CN(Cc1cccc(OC2CCCC2)c1)C1CC1 ZINC000153760543 326112088 /nfs/dbraw/zinc/11/20/88/326112088.db2.gz GYMFWKRQSTUSPO-UHFFFAOYSA-N 0 3 245.366 3.602 20 0 BHADHN CN(Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000153767477 326112075 /nfs/dbraw/zinc/11/20/75/326112075.db2.gz LUJSUPCPKSAEFL-UHFFFAOYSA-N 0 3 230.138 3.588 20 0 BHADHN Cc1ccc(CN2CCC3(CCCC3)CC2)cn1 ZINC000153849283 344986668 /nfs/dbraw/zinc/98/66/68/344986668.db2.gz OVZYNLSPAYGVNY-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN CN(CCC(C)(C)C)Cc1nc2ccccc2o1 ZINC000153930463 326120622 /nfs/dbraw/zinc/12/06/22/326120622.db2.gz APEDIIAYOUIWLI-UHFFFAOYSA-N 0 3 246.354 3.696 20 0 BHADHN CCCCCCN(C)Cc1nc2ccccc2o1 ZINC000153931023 641926978 /nfs/dbraw/zinc/92/69/78/641926978.db2.gz LBJYLYFFCBIQNH-UHFFFAOYSA-N 0 3 246.354 3.840 20 0 BHADHN Cc1ccc(CN2CCC3(C2)CCCCC3)cn1 ZINC000153957941 345003409 /nfs/dbraw/zinc/00/34/09/345003409.db2.gz GMRAIVQUWZPXEJ-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN C[C@@H](CNCc1ccco1)c1cccc(Cl)c1 ZINC000153969130 326122900 /nfs/dbraw/zinc/12/29/00/326122900.db2.gz KQCGAKQVNLVRQY-NSHDSACASA-N 0 3 249.741 3.826 20 0 BHADHN C[C@H](CNCc1ccco1)c1cccc(Cl)c1 ZINC000153969246 326121845 /nfs/dbraw/zinc/12/18/45/326121845.db2.gz KQCGAKQVNLVRQY-LLVKDONJSA-N 0 3 249.741 3.826 20 0 BHADHN CC[C@@H](C)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000154004036 201255616 /nfs/dbraw/zinc/25/56/16/201255616.db2.gz UWSOBKBJPNVFOT-ZJUUUORDSA-N 0 3 240.416 3.890 20 0 BHADHN CC[C@H](C)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000154004168 201254605 /nfs/dbraw/zinc/25/46/05/201254605.db2.gz UWSOBKBJPNVFOT-UWVGGRQHSA-N 0 3 240.416 3.890 20 0 BHADHN CC[C@@H](C)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000154004282 201254914 /nfs/dbraw/zinc/25/49/14/201254914.db2.gz UWSOBKBJPNVFOT-NXEZZACHSA-N 0 3 240.416 3.890 20 0 BHADHN CC[C@H](C)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000154004410 201255727 /nfs/dbraw/zinc/25/57/27/201255727.db2.gz UWSOBKBJPNVFOT-VHSXEESVSA-N 0 3 240.416 3.890 20 0 BHADHN CC[C@@H](c1ccc(F)cc1F)N1CCCC1 ZINC000154017145 326125034 /nfs/dbraw/zinc/12/50/34/326125034.db2.gz IHFUARMVRRASIT-ZDUSSCGKSA-N 0 3 225.282 3.512 20 0 BHADHN CC[C@H](c1ccc(F)cc1F)N1CCCC1 ZINC000154017215 326124901 /nfs/dbraw/zinc/12/49/01/326124901.db2.gz IHFUARMVRRASIT-CYBMUJFWSA-N 0 3 225.282 3.512 20 0 BHADHN CC1CCN(CCSc2cccs2)CC1 ZINC000154239835 326136660 /nfs/dbraw/zinc/13/66/60/326136660.db2.gz BYCABOZCSBNBOT-UHFFFAOYSA-N 0 3 241.425 3.572 20 0 BHADHN CCCCCN(Cc1cncs1)C(C)C ZINC000154351069 385320364 /nfs/dbraw/zinc/32/03/64/385320364.db2.gz CWJGIGRDXLIWGG-UHFFFAOYSA-N 0 3 226.389 3.544 20 0 BHADHN CCCCCN(Cc1scnc1C)C(C)C ZINC000154362869 326141447 /nfs/dbraw/zinc/14/14/47/326141447.db2.gz VAMPDVPQVRISTP-UHFFFAOYSA-N 0 3 240.416 3.852 20 0 BHADHN Cc1ccsc1[C@@H](C)NCc1cccc(O)c1 ZINC000154416950 384626784 /nfs/dbraw/zinc/62/67/84/384626784.db2.gz ZNZYVOYAEQTMQM-LLVKDONJSA-N 0 3 247.363 3.613 20 0 BHADHN Cc1ccsc1[C@H](C)NCc1cccc(O)c1 ZINC000154417054 387898452 /nfs/dbraw/zinc/89/84/52/387898452.db2.gz ZNZYVOYAEQTMQM-NSHDSACASA-N 0 3 247.363 3.613 20 0 BHADHN Cc1cccc([C@@H](C)NCc2cccc(O)c2)c1 ZINC000154457705 179183460 /nfs/dbraw/zinc/18/34/60/179183460.db2.gz QGQHTXKRGOMTJQ-CYBMUJFWSA-N 0 3 241.334 3.551 20 0 BHADHN Cc1cccc([C@H](C)NCc2cccc(O)c2)c1 ZINC000154457812 179195843 /nfs/dbraw/zinc/19/58/43/179195843.db2.gz QGQHTXKRGOMTJQ-ZDUSSCGKSA-N 0 3 241.334 3.551 20 0 BHADHN CC[C@@H](C)N(C)Cc1cnc(C(C)(C)C)s1 ZINC000154568146 326151374 /nfs/dbraw/zinc/15/13/74/326151374.db2.gz MLNRYXAGYNDQFQ-SNVBAGLBSA-N 0 3 240.416 3.671 20 0 BHADHN CC[C@H](C)N(C)Cc1cnc(C(C)(C)C)s1 ZINC000154568255 326151076 /nfs/dbraw/zinc/15/10/76/326151076.db2.gz MLNRYXAGYNDQFQ-JTQLQIEISA-N 0 3 240.416 3.671 20 0 BHADHN CC[C@@H](C)N(C)Cc1cnc(CC(C)C)s1 ZINC000154579108 326151804 /nfs/dbraw/zinc/15/18/04/326151804.db2.gz KFXNCXONFFKUNW-LLVKDONJSA-N 0 3 240.416 3.572 20 0 BHADHN CC[C@H](C)N(C)Cc1cnc(CC(C)C)s1 ZINC000154579200 326151916 /nfs/dbraw/zinc/15/19/16/326151916.db2.gz KFXNCXONFFKUNW-NSHDSACASA-N 0 3 240.416 3.572 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1ncccc1C ZINC000154628949 385343445 /nfs/dbraw/zinc/34/34/45/385343445.db2.gz MXLYZWROFMLWEK-AWEZNQCLSA-N 0 3 232.371 3.615 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1ncccc1C ZINC000154629063 385343716 /nfs/dbraw/zinc/34/37/16/385343716.db2.gz MXLYZWROFMLWEK-CQSZACIVSA-N 0 3 232.371 3.615 20 0 BHADHN CS[C@@H](C)CN[C@@H](C)c1ccccc1Cl ZINC000155113134 201300017 /nfs/dbraw/zinc/30/00/17/201300017.db2.gz BZUMIZAOFOQIQN-UWVGGRQHSA-N 0 3 243.803 3.742 20 0 BHADHN CS[C@H](C)CN[C@@H](C)c1ccccc1Cl ZINC000155113244 201300587 /nfs/dbraw/zinc/30/05/87/201300587.db2.gz BZUMIZAOFOQIQN-ZJUUUORDSA-N 0 3 243.803 3.742 20 0 BHADHN CS[C@@H](C)CN[C@H](C)c1ccccc1Cl ZINC000155113349 201301167 /nfs/dbraw/zinc/30/11/67/201301167.db2.gz BZUMIZAOFOQIQN-VHSXEESVSA-N 0 3 243.803 3.742 20 0 BHADHN CS[C@H](C)CN[C@H](C)c1ccccc1Cl ZINC000155113473 201300911 /nfs/dbraw/zinc/30/09/11/201300911.db2.gz BZUMIZAOFOQIQN-NXEZZACHSA-N 0 3 243.803 3.742 20 0 BHADHN C[C@H](NCC1(C2CC2)CC1)c1ccccc1F ZINC000155181401 201300054 /nfs/dbraw/zinc/30/00/54/201300054.db2.gz DAIXMHSYHVSYIA-NSHDSACASA-N 0 3 233.330 3.667 20 0 BHADHN C[C@@H](NCC1(C2CC2)CC1)c1ccccc1F ZINC000155181508 201301336 /nfs/dbraw/zinc/30/13/36/201301336.db2.gz DAIXMHSYHVSYIA-LLVKDONJSA-N 0 3 233.330 3.667 20 0 BHADHN Fc1ccc([C@H](NC/C=C/Cl)C2CC2)cc1 ZINC000155213467 641561697 /nfs/dbraw/zinc/56/16/97/641561697.db2.gz ZPISILMTWABDCF-NGDXXIETSA-N 0 3 239.721 3.619 20 0 BHADHN Fc1ccc([C@@H](NC/C=C/Cl)C2CC2)cc1 ZINC000155213578 641562751 /nfs/dbraw/zinc/56/27/51/641562751.db2.gz ZPISILMTWABDCF-HXKKTNHBSA-N 0 3 239.721 3.619 20 0 BHADHN c1coc(CN(Cc2ccccc2)CC2CC2)c1 ZINC000155492930 326197490 /nfs/dbraw/zinc/19/74/90/326197490.db2.gz QQFCJDSXPBRFPI-UHFFFAOYSA-N 0 3 241.334 3.692 20 0 BHADHN CCc1ccc([C@@H](C)NCCc2cccs2)o1 ZINC000155625493 326204362 /nfs/dbraw/zinc/20/43/62/326204362.db2.gz VVCNTFGIECNFHI-LLVKDONJSA-N 0 3 249.379 3.797 20 0 BHADHN CCc1ccc([C@H](C)NCCc2cccs2)o1 ZINC000155625599 326204334 /nfs/dbraw/zinc/20/43/34/326204334.db2.gz VVCNTFGIECNFHI-NSHDSACASA-N 0 3 249.379 3.797 20 0 BHADHN CCN(CC1CC1)[C@@H](C)c1ccccc1F ZINC000155833435 389011209 /nfs/dbraw/zinc/01/12/09/389011209.db2.gz YVKPWYASILTOKO-NSHDSACASA-N 0 3 221.319 3.619 20 0 BHADHN CCN(CC1CC1)[C@H](C)c1ccccc1F ZINC000155833547 389010983 /nfs/dbraw/zinc/01/09/83/389010983.db2.gz YVKPWYASILTOKO-LLVKDONJSA-N 0 3 221.319 3.619 20 0 BHADHN CC[C@H](NCCc1ccco1)c1ccccc1F ZINC000156233579 387942863 /nfs/dbraw/zinc/94/28/63/387942863.db2.gz MVTFDUBDIKRZFU-HNNXBMFYSA-N 0 3 247.313 3.702 20 0 BHADHN CC[C@@H](NCCc1ccco1)c1ccccc1F ZINC000156233708 387943921 /nfs/dbraw/zinc/94/39/21/387943921.db2.gz MVTFDUBDIKRZFU-OAHLLOKOSA-N 0 3 247.313 3.702 20 0 BHADHN CC(=O)CCN1CCCC[C@H]1c1ccc(C)cc1 ZINC000156248976 397756501 /nfs/dbraw/zinc/75/65/01/397756501.db2.gz UWWVFRYNESXDIY-INIZCTEOSA-N 0 3 245.366 3.501 20 0 BHADHN CC(=O)CCN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000156249103 397756753 /nfs/dbraw/zinc/75/67/53/397756753.db2.gz UWWVFRYNESXDIY-MRXNPFEDSA-N 0 3 245.366 3.501 20 0 BHADHN CCCCC[C@@H](C)N[C@@H](COC)c1ccco1 ZINC000156540809 641608058 /nfs/dbraw/zinc/60/80/58/641608058.db2.gz BYHWTVOWPKSQIA-OLZOCXBDSA-N 0 3 239.359 3.526 20 0 BHADHN CCCCC[C@H](C)N[C@@H](COC)c1ccco1 ZINC000156540928 641607913 /nfs/dbraw/zinc/60/79/13/641607913.db2.gz BYHWTVOWPKSQIA-STQMWFEESA-N 0 3 239.359 3.526 20 0 BHADHN CCCCC[C@@H](C)N[C@H](COC)c1ccco1 ZINC000156541042 641608100 /nfs/dbraw/zinc/60/81/00/641608100.db2.gz BYHWTVOWPKSQIA-CHWSQXEVSA-N 0 3 239.359 3.526 20 0 BHADHN CCCCC[C@H](C)N[C@H](COC)c1ccco1 ZINC000156541151 641607879 /nfs/dbraw/zinc/60/78/79/641607879.db2.gz BYHWTVOWPKSQIA-QWHCGFSZSA-N 0 3 239.359 3.526 20 0 BHADHN Cc1cc(CN2CCC[C@@H]2c2ccc[nH]2)c(C)o1 ZINC000156609792 640466675 /nfs/dbraw/zinc/46/66/75/640466675.db2.gz LNIQSRZDIJFPHK-OAHLLOKOSA-N 0 3 244.338 3.562 20 0 BHADHN Cc1cc(CN2CCC[C@H]2c2ccc[nH]2)c(C)o1 ZINC000156609922 640466547 /nfs/dbraw/zinc/46/65/47/640466547.db2.gz LNIQSRZDIJFPHK-HNNXBMFYSA-N 0 3 244.338 3.562 20 0 BHADHN CCCC[C@@H](CC)N[C@@H](COC)c1ccco1 ZINC000156699035 326240008 /nfs/dbraw/zinc/24/00/08/326240008.db2.gz BJSDNXYDTXESQV-OLZOCXBDSA-N 0 3 239.359 3.526 20 0 BHADHN CCCC[C@H](CC)N[C@@H](COC)c1ccco1 ZINC000156699171 326240331 /nfs/dbraw/zinc/24/03/31/326240331.db2.gz BJSDNXYDTXESQV-STQMWFEESA-N 0 3 239.359 3.526 20 0 BHADHN CCCC[C@@H](CC)N[C@H](COC)c1ccco1 ZINC000156699318 326240232 /nfs/dbraw/zinc/24/02/32/326240232.db2.gz BJSDNXYDTXESQV-CHWSQXEVSA-N 0 3 239.359 3.526 20 0 BHADHN CCCC[C@H](CC)N[C@H](COC)c1ccco1 ZINC000156699455 326240190 /nfs/dbraw/zinc/24/01/90/326240190.db2.gz BJSDNXYDTXESQV-QWHCGFSZSA-N 0 3 239.359 3.526 20 0 BHADHN C[C@@H](CC1CCCC1)N[C@@H](C)c1nccs1 ZINC000156809758 388036831 /nfs/dbraw/zinc/03/68/31/388036831.db2.gz WRLLJBUZSYTQLI-QWRGUYRKSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](CC1CCCC1)N[C@@H](C)c1nccs1 ZINC000156809891 388037171 /nfs/dbraw/zinc/03/71/71/388037171.db2.gz WRLLJBUZSYTQLI-MNOVXSKESA-N 0 3 238.400 3.763 20 0 BHADHN CCN(CC)Cc1cnc(C2CCCC2)s1 ZINC000156914224 326248737 /nfs/dbraw/zinc/24/87/37/326248737.db2.gz QPVFQZVDCAJFTF-UHFFFAOYSA-N 0 3 238.400 3.643 20 0 BHADHN C[C@H](NCc1cccc(Cl)c1F)C1CCC1 ZINC000156951881 538806800 /nfs/dbraw/zinc/80/68/00/538806800.db2.gz GFPHIMBJTIOMBV-VIFPVBQESA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H](NCc1cccc(Cl)c1F)C1CCC1 ZINC000156952026 538806679 /nfs/dbraw/zinc/80/66/79/538806679.db2.gz GFPHIMBJTIOMBV-SECBINFHSA-N 0 3 241.737 3.757 20 0 BHADHN CCC(C)(C)[C@@H]1CCCN1Cc1nccs1 ZINC000156955322 385025604 /nfs/dbraw/zinc/02/56/04/385025604.db2.gz JOGSVQDFVMFUOR-NSHDSACASA-N 0 3 238.400 3.544 20 0 BHADHN CCC(C)(C)[C@H]1CCCN1Cc1nccs1 ZINC000156955479 385026639 /nfs/dbraw/zinc/02/66/39/385026639.db2.gz JOGSVQDFVMFUOR-LLVKDONJSA-N 0 3 238.400 3.544 20 0 BHADHN C[C@H](NCCc1cccc(Cl)c1)c1ccco1 ZINC000157100302 364754481 /nfs/dbraw/zinc/75/44/81/364754481.db2.gz CBETVLVHTBBWSZ-NSHDSACASA-N 0 3 249.741 3.826 20 0 BHADHN C[C@@H](NCCc1cccc(Cl)c1)c1ccco1 ZINC000157100453 364754244 /nfs/dbraw/zinc/75/42/44/364754244.db2.gz CBETVLVHTBBWSZ-LLVKDONJSA-N 0 3 249.741 3.826 20 0 BHADHN Cc1cnc([C@@H](C)N[C@@H](C)CC2CCC2)s1 ZINC000157141888 538811434 /nfs/dbraw/zinc/81/14/34/538811434.db2.gz YXHXBEPAQABHIH-GXSJLCMTSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H](C)CC2CCC2)s1 ZINC000157142036 538111217 /nfs/dbraw/zinc/11/12/17/538111217.db2.gz YXHXBEPAQABHIH-ONGXEEELSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@@H](C)N[C@H](C)CC2CCC2)s1 ZINC000157142183 538811108 /nfs/dbraw/zinc/81/11/08/538811108.db2.gz YXHXBEPAQABHIH-MWLCHTKSSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@H](C)N[C@H](C)CC2CCC2)s1 ZINC000157142334 538810532 /nfs/dbraw/zinc/81/05/32/538810532.db2.gz YXHXBEPAQABHIH-KOLCDFICSA-N 0 3 238.400 3.681 20 0 BHADHN CC(C)c1ncc(CN2CCCCCC2)s1 ZINC000157368508 326270832 /nfs/dbraw/zinc/27/08/32/326270832.db2.gz RXTKJIHWQJZVQQ-UHFFFAOYSA-N 0 3 238.400 3.643 20 0 BHADHN CSCCCN(C)Cc1cccc(Cl)c1 ZINC000157383162 385156897 /nfs/dbraw/zinc/15/68/97/385156897.db2.gz OKDOUVPSVOCJLK-UHFFFAOYSA-N 0 3 243.803 3.525 20 0 BHADHN CSCCCN(C)Cc1ccc(Cl)s1 ZINC000157410549 387793012 /nfs/dbraw/zinc/79/30/12/387793012.db2.gz VUEOSDHYHZVGMY-UHFFFAOYSA-N 0 3 249.832 3.586 20 0 BHADHN Fc1ccc(CNCCCC2CC2)c(Cl)c1 ZINC000157472199 326276913 /nfs/dbraw/zinc/27/69/13/326276913.db2.gz QZYSYPXTGSYQAC-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN Cc1cc(Cl)cc(CNCc2ccccc2)c1 ZINC000157562178 387847055 /nfs/dbraw/zinc/84/70/55/387847055.db2.gz WAQLWNXJHZDRKX-UHFFFAOYSA-N 0 3 245.753 3.938 20 0 BHADHN CC(C)=CCN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157573223 385509808 /nfs/dbraw/zinc/50/98/08/385509808.db2.gz DDKCZNHWOLZMSP-GFCCVEGCSA-N 0 3 249.402 3.563 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157573376 187301085 /nfs/dbraw/zinc/30/10/85/187301085.db2.gz DDKCZNHWOLZMSP-LBPRGKRZSA-N 0 3 249.402 3.563 20 0 BHADHN CSCCCN(C)[C@@H](C)c1ccccc1F ZINC000157715642 193019524 /nfs/dbraw/zinc/01/95/24/193019524.db2.gz IIKXQKRIYOIMPU-NSHDSACASA-N 0 3 241.375 3.572 20 0 BHADHN CSCCCN(C)[C@H](C)c1ccccc1F ZINC000157715770 193019421 /nfs/dbraw/zinc/01/94/21/193019421.db2.gz IIKXQKRIYOIMPU-LLVKDONJSA-N 0 3 241.375 3.572 20 0 BHADHN C[C@H](SCCN(C)C)c1ccc(Cl)cc1 ZINC000157725770 326292711 /nfs/dbraw/zinc/29/27/11/326292711.db2.gz YBLHENVGQPYOAH-JTQLQIEISA-N 0 3 243.803 3.696 20 0 BHADHN C[C@@H](SCCN(C)C)c1ccc(Cl)cc1 ZINC000157725925 326292824 /nfs/dbraw/zinc/29/28/24/326292824.db2.gz YBLHENVGQPYOAH-SNVBAGLBSA-N 0 3 243.803 3.696 20 0 BHADHN CC[C@H](SCCN(C)C)c1ccc(F)cc1 ZINC000157838556 326297400 /nfs/dbraw/zinc/29/74/00/326297400.db2.gz UNVBNUNXJXWBPZ-ZDUSSCGKSA-N 0 3 241.375 3.572 20 0 BHADHN CC[C@@H](SCCN(C)C)c1ccc(F)cc1 ZINC000157838703 326297490 /nfs/dbraw/zinc/29/74/90/326297490.db2.gz UNVBNUNXJXWBPZ-CYBMUJFWSA-N 0 3 241.375 3.572 20 0 BHADHN CCCN(CCC)Cc1cnc(C(C)C)s1 ZINC000158045545 326305652 /nfs/dbraw/zinc/30/56/52/326305652.db2.gz XOJBJKDKJFWRPG-UHFFFAOYSA-N 0 3 240.416 3.889 20 0 BHADHN CCCN(CCC)Cc1cnc(C2CC2)s1 ZINC000158058013 326306698 /nfs/dbraw/zinc/30/66/98/326306698.db2.gz MBKWEOBPIBHNDA-UHFFFAOYSA-N 0 3 238.400 3.643 20 0 BHADHN CCCCN(CCCC)Cc1cncs1 ZINC000158061451 385546822 /nfs/dbraw/zinc/54/68/22/385546822.db2.gz SGRIUZANOGJKED-UHFFFAOYSA-N 0 3 226.389 3.545 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000158072581 326307291 /nfs/dbraw/zinc/30/72/91/326307291.db2.gz GNQRDEPGPXIACL-SUNKGSAMSA-N 0 3 233.355 3.633 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000158072874 326307621 /nfs/dbraw/zinc/30/76/21/326307621.db2.gz GNQRDEPGPXIACL-UHIISALHSA-N 0 3 233.355 3.633 20 0 BHADHN CCCCN(C)Cc1cnc(C(C)(C)C)s1 ZINC000158165373 326310732 /nfs/dbraw/zinc/31/07/32/326310732.db2.gz IOGWPFPASXFTAE-UHFFFAOYSA-N 0 3 240.416 3.673 20 0 BHADHN CCCCN(C)Cc1cnc(C2CCC2)s1 ZINC000158170270 326311041 /nfs/dbraw/zinc/31/10/41/326311041.db2.gz VUCDNLUNTUMIPS-UHFFFAOYSA-N 0 3 238.400 3.643 20 0 BHADHN CCCCN(C)Cc1cnc(CC(C)C)s1 ZINC000158174372 326311038 /nfs/dbraw/zinc/31/10/38/326311038.db2.gz WKTFMWCQFOMBQZ-UHFFFAOYSA-N 0 3 240.416 3.574 20 0 BHADHN CCN(Cc1ccc(C)o1)Cc1ccccc1 ZINC000158686421 326337087 /nfs/dbraw/zinc/33/70/87/326337087.db2.gz JRDLTLCDRFKJHN-UHFFFAOYSA-N 0 3 229.323 3.610 20 0 BHADHN CCN(Cc1occc1C)Cc1ccccc1 ZINC000158691829 326337386 /nfs/dbraw/zinc/33/73/86/326337386.db2.gz PQAUNWUMBYVFHN-UHFFFAOYSA-N 0 3 229.323 3.610 20 0 BHADHN CCN(Cc1ccsc1)Cc1ccccc1 ZINC000158696580 326338041 /nfs/dbraw/zinc/33/80/41/326338041.db2.gz RKVRWCFIAMZSPG-UHFFFAOYSA-N 0 3 231.364 3.770 20 0 BHADHN CC(C)N(C)Cc1cnc(C2CCCC2)s1 ZINC000158710234 326339241 /nfs/dbraw/zinc/33/92/41/326339241.db2.gz NEPSPJRDBSTSFA-UHFFFAOYSA-N 0 3 238.400 3.641 20 0 BHADHN CC(C)N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000158718801 326340436 /nfs/dbraw/zinc/34/04/36/326340436.db2.gz ZRFJYHHOHVDKLF-UHFFFAOYSA-N 0 3 249.251 3.685 20 0 BHADHN CC(C)N(C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000158727588 326340777 /nfs/dbraw/zinc/34/07/77/326340777.db2.gz PYALDMOVWMTIJT-UHFFFAOYSA-N 0 3 249.251 3.685 20 0 BHADHN CC(C)N(C)Cc1ccc(CSC(F)F)o1 ZINC000158733580 384263615 /nfs/dbraw/zinc/26/36/15/384263615.db2.gz ACEDSOWFDSBFIN-UHFFFAOYSA-N 0 3 249.326 3.576 20 0 BHADHN CC(C)N(C)Cc1ccc(F)cc1C(F)(F)F ZINC000158744104 384764377 /nfs/dbraw/zinc/76/43/77/384764377.db2.gz KTPLIZCRYJCQAE-UHFFFAOYSA-N 0 3 249.251 3.685 20 0 BHADHN Cc1nc([C@@H](C)NCCC(C)(C)C)cs1 ZINC000158854320 361212640 /nfs/dbraw/zinc/21/26/40/361212640.db2.gz RFZCSBQOUIOFCO-SECBINFHSA-N 0 3 226.389 3.538 20 0 BHADHN Cc1nc([C@H](C)NCCC(C)(C)C)cs1 ZINC000158854452 361212546 /nfs/dbraw/zinc/21/25/46/361212546.db2.gz RFZCSBQOUIOFCO-VIFPVBQESA-N 0 3 226.389 3.538 20 0 BHADHN CCC(CC)CN[C@@H](C)c1csc(C)n1 ZINC000158856865 168362935 /nfs/dbraw/zinc/36/29/35/168362935.db2.gz ISEACBHITNZZPB-VIFPVBQESA-N 0 3 226.389 3.538 20 0 BHADHN CCC(CC)CN[C@H](C)c1csc(C)n1 ZINC000158857004 168365350 /nfs/dbraw/zinc/36/53/50/168365350.db2.gz ISEACBHITNZZPB-SECBINFHSA-N 0 3 226.389 3.538 20 0 BHADHN CCC(CC)CN[C@@H](C)c1nc(C)sc1C ZINC000158869735 538869417 /nfs/dbraw/zinc/86/94/17/538869417.db2.gz LZOYHWAOHLKSIK-VIFPVBQESA-N 0 3 240.416 3.847 20 0 BHADHN CCC(CC)CN[C@H](C)c1nc(C)sc1C ZINC000158869870 538869834 /nfs/dbraw/zinc/86/98/34/538869834.db2.gz LZOYHWAOHLKSIK-SECBINFHSA-N 0 3 240.416 3.847 20 0 BHADHN CC1(C)CCC[C@H](NCc2ccc(Cl)o2)C1 ZINC000158885198 387971263 /nfs/dbraw/zinc/97/12/63/387971263.db2.gz HCJNAJQPJYXLAS-JTQLQIEISA-N 0 3 241.762 3.991 20 0 BHADHN CC1(C)CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000158885339 384709548 /nfs/dbraw/zinc/70/95/48/384709548.db2.gz HCJNAJQPJYXLAS-SNVBAGLBSA-N 0 3 241.762 3.991 20 0 BHADHN CC(C)n1ccc(CN[C@@H]2CCCC(C)(C)C2)n1 ZINC000158908294 326345804 /nfs/dbraw/zinc/34/58/04/326345804.db2.gz WUPXBONEZNURIS-CYBMUJFWSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccc(CN[C@H]2CCCC(C)(C)C2)n1 ZINC000158908440 326345764 /nfs/dbraw/zinc/34/57/64/326345764.db2.gz WUPXBONEZNURIS-ZDUSSCGKSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)c1ncc(CN2CCCC[C@H]2C)s1 ZINC000158923290 326346310 /nfs/dbraw/zinc/34/63/10/326346310.db2.gz LGXKBIIQKFBWLC-LLVKDONJSA-N 0 3 238.400 3.641 20 0 BHADHN CC(C)c1ncc(CN2CCCC[C@@H]2C)s1 ZINC000158923401 326346274 /nfs/dbraw/zinc/34/62/74/326346274.db2.gz LGXKBIIQKFBWLC-NSHDSACASA-N 0 3 238.400 3.641 20 0 BHADHN CCCCN(CC)Cc1cnc(C(C)C)s1 ZINC000158970966 326347012 /nfs/dbraw/zinc/34/70/12/326347012.db2.gz OINQOUNRRWGUKL-UHFFFAOYSA-N 0 3 240.416 3.889 20 0 BHADHN CCCCN(CC)Cc1cnc(C2CC2)s1 ZINC000158983662 323074375 /nfs/dbraw/zinc/07/43/75/323074375.db2.gz XZAVIOJPONPYDK-UHFFFAOYSA-N 0 3 238.400 3.643 20 0 BHADHN CCCCCN(CCCCC)Cc1cncnc1 ZINC000158986754 538117440 /nfs/dbraw/zinc/11/74/40/538117440.db2.gz LHILWSDMTVVMQU-UHFFFAOYSA-N 0 3 249.402 3.659 20 0 BHADHN C[C@H](NCCCCC(C)(C)C)c1ccccn1 ZINC000158996520 326347562 /nfs/dbraw/zinc/34/75/62/326347562.db2.gz QLFGQCXEBVGUHS-ZDUSSCGKSA-N 0 3 234.387 3.949 20 0 BHADHN C[C@@H](NCCCCC(C)(C)C)c1ccccn1 ZINC000158996616 326347619 /nfs/dbraw/zinc/34/76/19/326347619.db2.gz QLFGQCXEBVGUHS-CYBMUJFWSA-N 0 3 234.387 3.949 20 0 BHADHN Cc1nc([C@@H](C)NCCC(C)(C)C)c(C)s1 ZINC000159058373 538873321 /nfs/dbraw/zinc/87/33/21/538873321.db2.gz MRUYAJZPCJSCFG-SECBINFHSA-N 0 3 240.416 3.847 20 0 BHADHN Cc1nc([C@H](C)NCCC(C)(C)C)c(C)s1 ZINC000159058500 538873836 /nfs/dbraw/zinc/87/38/36/538873836.db2.gz MRUYAJZPCJSCFG-VIFPVBQESA-N 0 3 240.416 3.847 20 0 BHADHN C[C@@H](CCC(C)(C)C)N[C@@H](C)c1ccccn1 ZINC000159179948 388000217 /nfs/dbraw/zinc/00/02/17/388000217.db2.gz MGVTXAVSFRKXHC-STQMWFEESA-N 0 3 234.387 3.947 20 0 BHADHN C[C@H](CCC(C)(C)C)N[C@@H](C)c1ccccn1 ZINC000159180094 384364899 /nfs/dbraw/zinc/36/48/99/384364899.db2.gz MGVTXAVSFRKXHC-OLZOCXBDSA-N 0 3 234.387 3.947 20 0 BHADHN C[C@@H](N[C@@H](C)CCC(C)(C)C)c1ccccn1 ZINC000159180237 348642019 /nfs/dbraw/zinc/64/20/19/348642019.db2.gz MGVTXAVSFRKXHC-QWHCGFSZSA-N 0 3 234.387 3.947 20 0 BHADHN C[C@H](CCC(C)(C)C)N[C@H](C)c1ccccn1 ZINC000159180369 388000331 /nfs/dbraw/zinc/00/03/31/388000331.db2.gz MGVTXAVSFRKXHC-CHWSQXEVSA-N 0 3 234.387 3.947 20 0 BHADHN CC(C)CC1(CN[C@@H](C)c2ccccn2)CCC1 ZINC000159359566 384013261 /nfs/dbraw/zinc/01/32/61/384013261.db2.gz VDNLOBAAAIRRQR-AWEZNQCLSA-N 0 3 246.398 3.949 20 0 BHADHN CC(C)CC1(CN[C@H](C)c2ccccn2)CCC1 ZINC000159359696 322965616 /nfs/dbraw/zinc/96/56/16/322965616.db2.gz VDNLOBAAAIRRQR-CQSZACIVSA-N 0 3 246.398 3.949 20 0 BHADHN Cc1cccc([C@@H](C)N[C@@H](C)c2ccoc2)c1 ZINC000160126303 541356081 /nfs/dbraw/zinc/35/60/81/541356081.db2.gz MCYPPJVTIOEPIT-OLZOCXBDSA-N 0 3 229.323 4.000 20 0 BHADHN Cc1cccc([C@@H](C)N[C@H](C)c2ccoc2)c1 ZINC000160126421 541495611 /nfs/dbraw/zinc/49/56/11/541495611.db2.gz MCYPPJVTIOEPIT-CHWSQXEVSA-N 0 3 229.323 4.000 20 0 BHADHN Cc1cccc([C@H](C)N[C@@H](C)c2ccoc2)c1 ZINC000160172097 541356017 /nfs/dbraw/zinc/35/60/17/541356017.db2.gz MCYPPJVTIOEPIT-STQMWFEESA-N 0 3 229.323 4.000 20 0 BHADHN Cc1cccc([C@H](C)N[C@H](C)c2ccoc2)c1 ZINC000160172229 538883258 /nfs/dbraw/zinc/88/32/58/538883258.db2.gz MCYPPJVTIOEPIT-QWHCGFSZSA-N 0 3 229.323 4.000 20 0 BHADHN C[C@H](NCc1ccc(F)cc1Cl)C1CCC1 ZINC000160173032 538883254 /nfs/dbraw/zinc/88/32/54/538883254.db2.gz LLFRJKZHPMMKNZ-VIFPVBQESA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H](NCc1ccc(F)cc1Cl)C1CCC1 ZINC000160173167 538883267 /nfs/dbraw/zinc/88/32/67/538883267.db2.gz LLFRJKZHPMMKNZ-SECBINFHSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H]1C[C@@H]1CNCc1c(Cl)oc2ccccc21 ZINC000161014065 566325871 /nfs/dbraw/zinc/32/58/71/566325871.db2.gz SUBNQCXXISIBDJ-NXEZZACHSA-N 0 3 249.741 3.832 20 0 BHADHN C[C@H]1C[C@@H]1CNCc1c(Cl)oc2ccccc21 ZINC000161014156 538913773 /nfs/dbraw/zinc/91/37/73/538913773.db2.gz SUBNQCXXISIBDJ-VHSXEESVSA-N 0 3 249.741 3.832 20 0 BHADHN C[C@@H]1C[C@H]1CNCc1c(Cl)oc2ccccc21 ZINC000161014283 566326131 /nfs/dbraw/zinc/32/61/31/566326131.db2.gz SUBNQCXXISIBDJ-ZJUUUORDSA-N 0 3 249.741 3.832 20 0 BHADHN C[C@H]1C[C@H]1CNCc1c(Cl)oc2ccccc21 ZINC000161014438 538913771 /nfs/dbraw/zinc/91/37/71/538913771.db2.gz SUBNQCXXISIBDJ-UWVGGRQHSA-N 0 3 249.741 3.832 20 0 BHADHN CC1CC(NCc2c(Cl)oc3ccccc32)C1 ZINC000161022891 384481888 /nfs/dbraw/zinc/48/18/88/384481888.db2.gz AJYBOCMYOZQPGP-UHFFFAOYSA-N 0 3 249.741 3.974 20 0 BHADHN Clc1oc2ccccc2c1CNC1CC=CC1 ZINC000161024559 538913855 /nfs/dbraw/zinc/91/38/55/538913855.db2.gz SELPHGNLCXOOIK-UHFFFAOYSA-N 0 3 247.725 3.894 20 0 BHADHN C[C@H](NCCC1=CCCCC1)c1cscn1 ZINC000161125633 384467603 /nfs/dbraw/zinc/46/76/03/384467603.db2.gz GHZVVCZRTQYFRZ-NSHDSACASA-N 0 3 236.384 3.684 20 0 BHADHN C[C@@H](NCCC1=CCCCC1)c1cscn1 ZINC000161125772 384466426 /nfs/dbraw/zinc/46/64/26/384466426.db2.gz GHZVVCZRTQYFRZ-LLVKDONJSA-N 0 3 236.384 3.684 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)c1cscn1 ZINC000161128110 323148771 /nfs/dbraw/zinc/14/87/71/323148771.db2.gz TYELTMAGURDBRS-WISYIIOYSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)c1cscn1 ZINC000161128229 323148696 /nfs/dbraw/zinc/14/86/96/323148696.db2.gz TYELTMAGURDBRS-WHOHXGKFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](NC1CCCCCCC1)c1cscn1 ZINC000161130555 711810700 /nfs/dbraw/zinc/81/07/00/711810700.db2.gz SUAJWOHHEHGYRT-NSHDSACASA-N 0 3 238.400 3.907 20 0 BHADHN C[C@@H](NC1CCCCCCC1)c1cscn1 ZINC000161130684 711810583 /nfs/dbraw/zinc/81/05/83/711810583.db2.gz SUAJWOHHEHGYRT-LLVKDONJSA-N 0 3 238.400 3.907 20 0 BHADHN C[C@H](NCCC1CCCCC1)c1cscn1 ZINC000161148493 538914501 /nfs/dbraw/zinc/91/45/01/538914501.db2.gz SGDCBMVQCIHFCJ-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN C[C@@H](NCCC1CCCCC1)c1cscn1 ZINC000161148612 538914599 /nfs/dbraw/zinc/91/45/99/538914599.db2.gz SGDCBMVQCIHFCJ-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cscn1 ZINC000161151204 323149232 /nfs/dbraw/zinc/14/92/32/323149232.db2.gz AJOQVPZGYTWYJM-TUAOUCFPSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cscn1 ZINC000161151421 323149135 /nfs/dbraw/zinc/14/91/35/323149135.db2.gz AJOQVPZGYTWYJM-QJPTWQEYSA-N 0 3 238.400 3.763 20 0 BHADHN CCC1CCC(N[C@@H](C)c2cscn2)CC1 ZINC000161157895 323149442 /nfs/dbraw/zinc/14/94/42/323149442.db2.gz DUYGFIBNWYXDLI-UNXYVOJBSA-N 0 3 238.400 3.763 20 0 BHADHN CCC1CCC(N[C@H](C)c2cscn2)CC1 ZINC000161158015 323149543 /nfs/dbraw/zinc/14/95/43/323149543.db2.gz DUYGFIBNWYXDLI-VOMCLLRMSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](NCC1CCC(C)CC1)c1cscn1 ZINC000161165654 323149550 /nfs/dbraw/zinc/14/95/50/323149550.db2.gz BOFJCVBWYQDDOE-CXQJBGSLSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@@H](NCC1CCC(C)CC1)c1cscn1 ZINC000161165769 323149680 /nfs/dbraw/zinc/14/96/80/323149680.db2.gz BOFJCVBWYQDDOE-MOENNCHZSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@H]1CCCC[C@H]1C)c1cscn1 ZINC000161172288 323149960 /nfs/dbraw/zinc/14/99/60/323149960.db2.gz VUQVMZLUSGFUMH-GRYCIOLGSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@H]1CCCC[C@@H]1C)c1cscn1 ZINC000161172413 323149985 /nfs/dbraw/zinc/14/99/85/323149985.db2.gz VUQVMZLUSGFUMH-SDDRHHMPSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@@H]1CCCC[C@H]1C)c1cscn1 ZINC000161172529 323149973 /nfs/dbraw/zinc/14/99/73/323149973.db2.gz VUQVMZLUSGFUMH-WOPDTQHZSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@@H]1CCCC[C@@H]1C)c1cscn1 ZINC000161172652 323150033 /nfs/dbraw/zinc/15/00/33/323150033.db2.gz VUQVMZLUSGFUMH-SRVKXCTJSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](C)C[C@H]1C)c1cscn1 ZINC000161197583 323319336 /nfs/dbraw/zinc/31/93/36/323319336.db2.gz SVNIBQJGFZOWQI-WYUUTHIRSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](NC1C[C@H](C)C[C@@H](C)C1)c1cscn1 ZINC000161207637 343204745 /nfs/dbraw/zinc/20/47/45/343204745.db2.gz LFVWXHCBHDKRTO-MXWKQRLJSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2cscn2)C1 ZINC000161208996 323467271 /nfs/dbraw/zinc/46/72/71/323467271.db2.gz IMYVYHYGPKUWKX-TUAOUCFPSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2cscn2)C1 ZINC000161209221 387149757 /nfs/dbraw/zinc/14/97/57/387149757.db2.gz IMYVYHYGPKUWKX-QJPTWQEYSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@@H](C)C1CCCCC1)c1cscn1 ZINC000161209951 323467256 /nfs/dbraw/zinc/46/72/56/323467256.db2.gz ZHWFYNRPRUVMDI-QWRGUYRKSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@@H](C)C1CCCCC1)c1cscn1 ZINC000161210077 323467377 /nfs/dbraw/zinc/46/73/77/323467377.db2.gz ZHWFYNRPRUVMDI-WDEREUQCSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@@H](C)c1cscn1)C1CCCCC1 ZINC000161210197 387151879 /nfs/dbraw/zinc/15/18/79/387151879.db2.gz ZHWFYNRPRUVMDI-MNOVXSKESA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@H](C)C1CCCCC1)c1cscn1 ZINC000161210316 323075891 /nfs/dbraw/zinc/07/58/91/323075891.db2.gz ZHWFYNRPRUVMDI-GHMZBOCLSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](NC1CCC(C)(C)CC1)c1cscn1 ZINC000161210455 387152385 /nfs/dbraw/zinc/15/23/85/387152385.db2.gz XFVRLUDBCRNLIZ-JTQLQIEISA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](NC1CCC(C)(C)CC1)c1cscn1 ZINC000161210583 387151917 /nfs/dbraw/zinc/15/19/17/387151917.db2.gz XFVRLUDBCRNLIZ-SNVBAGLBSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@H]1CCCCC[C@H]1C)c1cscn1 ZINC000161213992 538914904 /nfs/dbraw/zinc/91/49/04/538914904.db2.gz GJHZMEUYQSMDOI-WOPDTQHZSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@H]1CCCCC[C@@H]1C)c1cscn1 ZINC000161214108 538915007 /nfs/dbraw/zinc/91/50/07/538915007.db2.gz GJHZMEUYQSMDOI-SRVKXCTJSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@@H]1CCCCC[C@H]1C)c1cscn1 ZINC000161214231 538915034 /nfs/dbraw/zinc/91/50/34/538915034.db2.gz GJHZMEUYQSMDOI-GRYCIOLGSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@@H]1CCCCC[C@@H]1C)c1cscn1 ZINC000161214353 538914920 /nfs/dbraw/zinc/91/49/20/538914920.db2.gz GJHZMEUYQSMDOI-SDDRHHMPSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@@H]1CCCCC1(C)C)c1cscn1 ZINC000161224425 323469714 /nfs/dbraw/zinc/46/97/14/323469714.db2.gz SVBGKBMBHRJFDQ-CMPLNLGQSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@@H]1CCCCC1(C)C)c1cscn1 ZINC000161224547 323469896 /nfs/dbraw/zinc/46/98/96/323469896.db2.gz SVBGKBMBHRJFDQ-ZYHUDNBSSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@H]1CCCCC1(C)C)c1cscn1 ZINC000161224685 387156596 /nfs/dbraw/zinc/15/65/96/387156596.db2.gz SVBGKBMBHRJFDQ-JQWIXIFHSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@H]1CCCCC1(C)C)c1cscn1 ZINC000161224799 387155905 /nfs/dbraw/zinc/15/59/05/387155905.db2.gz SVBGKBMBHRJFDQ-PWSUYJOCSA-N 0 3 238.400 3.763 20 0 BHADHN Cc1cccc(CNCc2cc(F)cc(F)c2)c1 ZINC000161321236 384970576 /nfs/dbraw/zinc/97/05/76/384970576.db2.gz UFELIZLSEITHFF-UHFFFAOYSA-N 0 3 247.288 3.563 20 0 BHADHN CC[C@H](NCCCC(C)C)c1ccc(F)cn1 ZINC000161324012 384970985 /nfs/dbraw/zinc/97/09/85/384970985.db2.gz ABEXOBDPTZRDJH-ZDUSSCGKSA-N 0 3 238.350 3.698 20 0 BHADHN CC[C@@H](NCCCC(C)C)c1ccc(F)cn1 ZINC000161324096 384969079 /nfs/dbraw/zinc/96/90/79/384969079.db2.gz ABEXOBDPTZRDJH-CYBMUJFWSA-N 0 3 238.350 3.698 20 0 BHADHN CC[C@@H](C)CNCc1cccc(Cl)c1F ZINC000161514010 385208570 /nfs/dbraw/zinc/20/85/70/385208570.db2.gz CRFOZHXXHROJHK-SECBINFHSA-N 0 3 229.726 3.615 20 0 BHADHN CC[C@H](C)CNCc1cccc(Cl)c1F ZINC000161514133 385210421 /nfs/dbraw/zinc/21/04/21/385210421.db2.gz CRFOZHXXHROJHK-VIFPVBQESA-N 0 3 229.726 3.615 20 0 BHADHN COc1ccc(C)cc1[C@@H](C)NCC=C(C)C ZINC000161546238 385344881 /nfs/dbraw/zinc/34/48/81/385344881.db2.gz YSHXPOTWUCIMNM-CYBMUJFWSA-N 0 3 233.355 3.620 20 0 BHADHN COc1ccc(C)cc1[C@H](C)NCC=C(C)C ZINC000161546342 385344775 /nfs/dbraw/zinc/34/47/75/385344775.db2.gz YSHXPOTWUCIMNM-ZDUSSCGKSA-N 0 3 233.355 3.620 20 0 BHADHN Cc1nc([C@@H](C)NCCCC2CC2)c(C)s1 ZINC000161710463 538917411 /nfs/dbraw/zinc/91/74/11/538917411.db2.gz SKQDGZAKOKANTJ-SECBINFHSA-N 0 3 238.400 3.601 20 0 BHADHN Cc1nc([C@H](C)NCCCC2CC2)c(C)s1 ZINC000161710584 538917290 /nfs/dbraw/zinc/91/72/90/538917290.db2.gz SKQDGZAKOKANTJ-VIFPVBQESA-N 0 3 238.400 3.601 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1cscn1 ZINC000161767117 387265323 /nfs/dbraw/zinc/26/53/23/387265323.db2.gz ALWYONMWMDLJIK-AXFHLTTASA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1cscn1 ZINC000161767406 323564016 /nfs/dbraw/zinc/56/40/16/323564016.db2.gz ALWYONMWMDLJIK-DCAQKATOSA-N 0 3 226.389 3.618 20 0 BHADHN C[C@H](NC1CC(C)C1)c1ccc(F)cc1Cl ZINC000161795143 201153738 /nfs/dbraw/zinc/15/37/38/201153738.db2.gz AJHSSIBDUQTAHJ-YUCVTWSNSA-N 0 3 241.737 3.928 20 0 BHADHN C[C@@H](NC1CC(C)C1)c1ccc(F)cc1Cl ZINC000161795272 201154078 /nfs/dbraw/zinc/15/40/78/201154078.db2.gz AJHSSIBDUQTAHJ-INWMGODYSA-N 0 3 241.737 3.928 20 0 BHADHN Cc1nc([C@@H](C)NCCC2CCC2)c(C)s1 ZINC000161864717 632440183 /nfs/dbraw/zinc/44/01/83/632440183.db2.gz VMKQBKCGQRQMTE-SECBINFHSA-N 0 3 238.400 3.601 20 0 BHADHN Cc1nc([C@H](C)NCCC2CCC2)c(C)s1 ZINC000161864838 632439548 /nfs/dbraw/zinc/43/95/48/632439548.db2.gz VMKQBKCGQRQMTE-VIFPVBQESA-N 0 3 238.400 3.601 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H](C)C2CCC2)c(C)s1 ZINC000161982389 538920159 /nfs/dbraw/zinc/92/01/59/538920159.db2.gz ZUBVJGLIGKJYTC-DTWKUNHWSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@H](C)N[C@@H](C)C2CCC2)c(C)s1 ZINC000161982517 538920150 /nfs/dbraw/zinc/92/01/50/538920150.db2.gz ZUBVJGLIGKJYTC-IUCAKERBSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@@H](C)N[C@H](C)C2CCC2)c(C)s1 ZINC000161982657 538919994 /nfs/dbraw/zinc/91/99/94/538919994.db2.gz ZUBVJGLIGKJYTC-RKDXNWHRSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@H](C)N[C@H](C)C2CCC2)c(C)s1 ZINC000161982781 538920157 /nfs/dbraw/zinc/92/01/57/538920157.db2.gz ZUBVJGLIGKJYTC-BDAKNGLRSA-N 0 3 238.400 3.599 20 0 BHADHN CCC(CC)NCc1c(Cl)cccc1OC ZINC000162014222 201598449 /nfs/dbraw/zinc/59/84/49/201598449.db2.gz LWIKPYYCARUBGQ-UHFFFAOYSA-N 0 3 241.762 3.627 20 0 BHADHN CCC[C@@H](C)NCc1c(Cl)cccc1OC ZINC000162014591 384559529 /nfs/dbraw/zinc/55/95/29/384559529.db2.gz SIBRASKSKKAUJR-SNVBAGLBSA-N 0 3 241.762 3.627 20 0 BHADHN CCC[C@H](C)NCc1c(Cl)cccc1OC ZINC000162014663 201600255 /nfs/dbraw/zinc/60/02/55/201600255.db2.gz SIBRASKSKKAUJR-JTQLQIEISA-N 0 3 241.762 3.627 20 0 BHADHN CC[C@@H](CSC)NCc1ccc(Cl)s1 ZINC000162164040 388120745 /nfs/dbraw/zinc/12/07/45/388120745.db2.gz RQHMWCCDIUPWAF-QMMMGPOBSA-N 0 3 249.832 3.633 20 0 BHADHN CC[C@H](CSC)NCc1ccc(Cl)s1 ZINC000162164165 384594216 /nfs/dbraw/zinc/59/42/16/384594216.db2.gz RQHMWCCDIUPWAF-MRVPVSSYSA-N 0 3 249.832 3.633 20 0 BHADHN CC[C@@H](CSC)NCc1ccccc1Cl ZINC000162181512 385104346 /nfs/dbraw/zinc/10/43/46/385104346.db2.gz OKWKANRENKPQHZ-NSHDSACASA-N 0 3 243.803 3.571 20 0 BHADHN CC[C@H](CSC)NCc1ccccc1Cl ZINC000162181617 388122132 /nfs/dbraw/zinc/12/21/32/388122132.db2.gz OKWKANRENKPQHZ-LLVKDONJSA-N 0 3 243.803 3.571 20 0 BHADHN CCc1nc([C@H](C)N[C@@H](C)[C@@H](C)CC)cs1 ZINC000162283423 388142313 /nfs/dbraw/zinc/14/23/13/388142313.db2.gz OURPFZSIVVZGIU-DCAQKATOSA-N 0 3 240.416 3.791 20 0 BHADHN CCc1nc([C@H](C)N[C@H](C)[C@@H](C)CC)cs1 ZINC000162283701 384767491 /nfs/dbraw/zinc/76/74/91/384767491.db2.gz OURPFZSIVVZGIU-AXFHLTTASA-N 0 3 240.416 3.791 20 0 BHADHN CCC1(NCc2ccc(F)cc2Cl)CCC1 ZINC000162287598 388141786 /nfs/dbraw/zinc/14/17/86/388141786.db2.gz FNSLKQRGVJKGPJ-UHFFFAOYSA-N 0 3 241.737 3.901 20 0 BHADHN C[C@@H](CN[C@@H](C)c1cscn1)c1ccccc1 ZINC000162312717 384603269 /nfs/dbraw/zinc/60/32/69/384603269.db2.gz JVMJPRIJQSXIQH-RYUDHWBXSA-N 0 3 246.379 3.597 20 0 BHADHN C[C@H](CN[C@@H](C)c1cscn1)c1ccccc1 ZINC000162312812 384603002 /nfs/dbraw/zinc/60/30/02/384603002.db2.gz JVMJPRIJQSXIQH-NEPJUHHUSA-N 0 3 246.379 3.597 20 0 BHADHN C[C@@H](CN[C@H](C)c1cscn1)c1ccccc1 ZINC000162312908 384603074 /nfs/dbraw/zinc/60/30/74/384603074.db2.gz JVMJPRIJQSXIQH-NWDGAFQWSA-N 0 3 246.379 3.597 20 0 BHADHN C[C@@H](NC[C@@H](C)c1ccccc1)c1cscn1 ZINC000162312999 384600962 /nfs/dbraw/zinc/60/09/62/384600962.db2.gz JVMJPRIJQSXIQH-VXGBXAGGSA-N 0 3 246.379 3.597 20 0 BHADHN CCc1nc([C@@H](C)N[C@@H](C)CC(C)C)cs1 ZINC000162329892 388150198 /nfs/dbraw/zinc/15/01/98/388150198.db2.gz HDXIJCQZACETFV-WDEREUQCSA-N 0 3 240.416 3.791 20 0 BHADHN CCc1nc([C@H](C)N[C@@H](C)CC(C)C)cs1 ZINC000162330024 385811878 /nfs/dbraw/zinc/81/18/78/385811878.db2.gz HDXIJCQZACETFV-QWRGUYRKSA-N 0 3 240.416 3.791 20 0 BHADHN CCc1nc([C@@H](C)N[C@H](C)CC(C)C)cs1 ZINC000162330148 385811657 /nfs/dbraw/zinc/81/16/57/385811657.db2.gz HDXIJCQZACETFV-GHMZBOCLSA-N 0 3 240.416 3.791 20 0 BHADHN CCc1nc([C@H](C)N[C@H](C)CC(C)C)cs1 ZINC000162330286 388150552 /nfs/dbraw/zinc/15/05/52/388150552.db2.gz HDXIJCQZACETFV-MNOVXSKESA-N 0 3 240.416 3.791 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1csc(CC)n1 ZINC000162336541 169370770 /nfs/dbraw/zinc/37/07/70/169370770.db2.gz BNFAVFZQUQLCED-ZJUUUORDSA-N 0 3 226.389 3.545 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1csc(CC)n1 ZINC000162336645 169493770 /nfs/dbraw/zinc/49/37/70/169493770.db2.gz BNFAVFZQUQLCED-UWVGGRQHSA-N 0 3 226.389 3.545 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1csc(CC)n1 ZINC000162336753 169371793 /nfs/dbraw/zinc/37/17/93/169371793.db2.gz BNFAVFZQUQLCED-NXEZZACHSA-N 0 3 226.389 3.545 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1csc(CC)n1 ZINC000162336859 388153233 /nfs/dbraw/zinc/15/32/33/388153233.db2.gz BNFAVFZQUQLCED-VHSXEESVSA-N 0 3 226.389 3.545 20 0 BHADHN CCSCCN[C@H](C)c1ccc(C)c(F)c1 ZINC000162405555 384607353 /nfs/dbraw/zinc/60/73/53/384607353.db2.gz LUBSJRQYDQDMAS-LLVKDONJSA-N 0 3 241.375 3.538 20 0 BHADHN CCc1nc([C@@H](C)N[C@@H](CC)C2CC2)cs1 ZINC000162410963 397953904 /nfs/dbraw/zinc/95/39/04/397953904.db2.gz DNXXFZDJEULZAP-KOLCDFICSA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@H](C)N[C@@H](CC)C2CC2)cs1 ZINC000162411096 398267168 /nfs/dbraw/zinc/26/71/68/398267168.db2.gz DNXXFZDJEULZAP-ONGXEEELSA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@@H](C)N[C@H](CC)C2CC2)cs1 ZINC000162411226 397953961 /nfs/dbraw/zinc/95/39/61/397953961.db2.gz DNXXFZDJEULZAP-MWLCHTKSSA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@H](C)N[C@H](CC)C2CC2)cs1 ZINC000162411349 397953586 /nfs/dbraw/zinc/95/35/86/397953586.db2.gz DNXXFZDJEULZAP-GXSJLCMTSA-N 0 3 238.400 3.545 20 0 BHADHN CCC[C@@H](C)NCc1cc(Cl)ccc1F ZINC000162676246 538924287 /nfs/dbraw/zinc/92/42/87/538924287.db2.gz HVCBLNORKMGVEV-SECBINFHSA-N 0 3 229.726 3.757 20 0 BHADHN CCC[C@H](C)NCc1cc(Cl)ccc1F ZINC000162676385 538924281 /nfs/dbraw/zinc/92/42/81/538924281.db2.gz HVCBLNORKMGVEV-VIFPVBQESA-N 0 3 229.726 3.757 20 0 BHADHN CCC(CC)NCc1cc(Cl)ccc1F ZINC000162676841 202038116 /nfs/dbraw/zinc/03/81/16/202038116.db2.gz BUFRVNRSIDMCIY-UHFFFAOYSA-N 0 3 229.726 3.757 20 0 BHADHN Fc1ccc(Cl)cc1CNCC1CCCC1 ZINC000162680233 385259237 /nfs/dbraw/zinc/25/92/37/385259237.db2.gz BHDJDESJLFRPRK-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CC(C)(C)CNCc1cc(Cl)ccc1F ZINC000162686155 385288321 /nfs/dbraw/zinc/28/83/21/385288321.db2.gz MEIXNIDFEFZBIB-UHFFFAOYSA-N 0 3 229.726 3.615 20 0 BHADHN C[C@@H](CNCc1cc(Cl)ccc1F)C1CC1 ZINC000162686743 538111916 /nfs/dbraw/zinc/11/19/16/538111916.db2.gz LGTDKNNLKXPGFD-VIFPVBQESA-N 0 3 241.737 3.615 20 0 BHADHN C[C@H](CNCc1cc(Cl)ccc1F)C1CC1 ZINC000162686877 538924412 /nfs/dbraw/zinc/92/44/12/538924412.db2.gz LGTDKNNLKXPGFD-SECBINFHSA-N 0 3 241.737 3.615 20 0 BHADHN Cc1ccc(CN2CCC[C@@H]2c2cccs2)o1 ZINC000162690235 387506994 /nfs/dbraw/zinc/50/69/94/387506994.db2.gz FFQLURVTIRWYJZ-CYBMUJFWSA-N 0 3 247.363 3.987 20 0 BHADHN Cc1ccc(CN2CCC[C@H]2c2cccs2)o1 ZINC000162690368 387506554 /nfs/dbraw/zinc/50/65/54/387506554.db2.gz FFQLURVTIRWYJZ-ZDUSSCGKSA-N 0 3 247.363 3.987 20 0 BHADHN CCC(C)(C)NCc1cc(Cl)ccc1F ZINC000162690374 202041994 /nfs/dbraw/zinc/04/19/94/202041994.db2.gz WOEIGAFXEVMUPO-UHFFFAOYSA-N 0 3 229.726 3.757 20 0 BHADHN CC1(NCc2cc(Cl)ccc2F)CCCC1 ZINC000162691267 202041448 /nfs/dbraw/zinc/04/14/48/202041448.db2.gz ROHDFXAYFICMCL-UHFFFAOYSA-N 0 3 241.737 3.901 20 0 BHADHN C[C@@H]1CCC[C@@H]1NCc1cc(Cl)ccc1F ZINC000162694709 202044213 /nfs/dbraw/zinc/04/42/13/202044213.db2.gz VFATZNQDJBCYAQ-RNCFNFMXSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CCC[C@@H]1NCc1cc(Cl)ccc1F ZINC000162694833 202044679 /nfs/dbraw/zinc/04/46/79/202044679.db2.gz VFATZNQDJBCYAQ-ZANVPECISA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H]1CCC[C@H]1NCc1cc(Cl)ccc1F ZINC000162694942 202044248 /nfs/dbraw/zinc/04/42/48/202044248.db2.gz VFATZNQDJBCYAQ-NOZJJQNGSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CCC[C@H]1NCc1cc(Cl)ccc1F ZINC000162695048 384667850 /nfs/dbraw/zinc/66/78/50/384667850.db2.gz VFATZNQDJBCYAQ-TVQRCGJNSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H](CC1CC1)NCc1cc(Cl)ccc1F ZINC000162698058 202044686 /nfs/dbraw/zinc/04/46/86/202044686.db2.gz OWHIKJZDMBTFCL-VIFPVBQESA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H](CC1CC1)NCc1cc(Cl)ccc1F ZINC000162698172 384666033 /nfs/dbraw/zinc/66/60/33/384666033.db2.gz OWHIKJZDMBTFCL-SECBINFHSA-N 0 3 241.737 3.757 20 0 BHADHN Fc1ccc(Cl)cc1CNCCCC1CC1 ZINC000162702889 323638553 /nfs/dbraw/zinc/63/85/53/323638553.db2.gz VQUORDXCIXLBLF-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN Fc1ccc(Cl)cc1CN[C@H]1CC=CCC1 ZINC000162703110 384667659 /nfs/dbraw/zinc/66/76/59/384667659.db2.gz HBJUCNLUZCDKFW-LBPRGKRZSA-N 0 3 239.721 3.677 20 0 BHADHN Fc1ccc(Cl)cc1CN[C@@H]1CC=CCC1 ZINC000162703214 384666849 /nfs/dbraw/zinc/66/68/49/384666849.db2.gz HBJUCNLUZCDKFW-GFCCVEGCSA-N 0 3 239.721 3.677 20 0 BHADHN c1coc(CN2CCC[C@@H]2c2cccs2)c1 ZINC000162704258 384671228 /nfs/dbraw/zinc/67/12/28/384671228.db2.gz POYZULAKOWSDJL-GFCCVEGCSA-N 0 3 233.336 3.678 20 0 BHADHN c1coc(CN2CCC[C@H]2c2cccs2)c1 ZINC000162704391 384671991 /nfs/dbraw/zinc/67/19/91/384671991.db2.gz POYZULAKOWSDJL-LBPRGKRZSA-N 0 3 233.336 3.678 20 0 BHADHN Cc1ccoc1CN1CCC[C@@H]1c1cccs1 ZINC000162705362 387498654 /nfs/dbraw/zinc/49/86/54/387498654.db2.gz OBXHOFNRMYNVMT-GFCCVEGCSA-N 0 3 247.363 3.987 20 0 BHADHN Cc1ccoc1CN1CCC[C@H]1c1cccs1 ZINC000162705504 387498192 /nfs/dbraw/zinc/49/81/92/387498192.db2.gz OBXHOFNRMYNVMT-LBPRGKRZSA-N 0 3 247.363 3.987 20 0 BHADHN CCC1(NCc2cc(Cl)ccc2F)CCC1 ZINC000162710747 384671080 /nfs/dbraw/zinc/67/10/80/384671080.db2.gz DENBCHIGPOPGRY-UHFFFAOYSA-N 0 3 241.737 3.901 20 0 BHADHN CC1(C)CC[C@H](NCc2cccc(F)c2F)C1 ZINC000162713520 359516208 /nfs/dbraw/zinc/51/62/08/359516208.db2.gz OIEXQJZMPDKGKB-NSHDSACASA-N 0 3 239.309 3.633 20 0 BHADHN Cc1ccsc1[C@H](C)NCc1cnccc1C ZINC000162713556 350420852 /nfs/dbraw/zinc/42/08/52/350420852.db2.gz DVCQYDKLQCVQLT-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC1(C)CC[C@@H](NCc2cccc(F)c2F)C1 ZINC000162713638 323640459 /nfs/dbraw/zinc/64/04/59/323640459.db2.gz OIEXQJZMPDKGKB-LLVKDONJSA-N 0 3 239.309 3.633 20 0 BHADHN Cc1ccsc1[C@@H](C)NCc1cnccc1C ZINC000162713684 350420746 /nfs/dbraw/zinc/42/07/46/350420746.db2.gz DVCQYDKLQCVQLT-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN CC1(NCc2cc(Cl)ccc2F)CCC1 ZINC000162819500 387919548 /nfs/dbraw/zinc/91/95/48/387919548.db2.gz RSISCRIHKSADBP-UHFFFAOYSA-N 0 3 227.710 3.511 20 0 BHADHN C[C@H](NCc1cc(Cl)ccc1F)C1CCC1 ZINC000162839582 538925317 /nfs/dbraw/zinc/92/53/17/538925317.db2.gz NTLJZSJRKGWASG-VIFPVBQESA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H](NCc1cc(Cl)ccc1F)C1CCC1 ZINC000162839665 538925172 /nfs/dbraw/zinc/92/51/72/538925172.db2.gz NTLJZSJRKGWASG-SECBINFHSA-N 0 3 241.737 3.757 20 0 BHADHN Cc1nc(CNC[C@@H](C)C(C)(C)C)sc1C ZINC000162912475 538925683 /nfs/dbraw/zinc/92/56/83/538925683.db2.gz FKIKKWSWXFSXJX-SECBINFHSA-N 0 3 240.416 3.532 20 0 BHADHN Cc1nc(CNC[C@H](C)C(C)(C)C)sc1C ZINC000162912592 538925648 /nfs/dbraw/zinc/92/56/48/538925648.db2.gz FKIKKWSWXFSXJX-VIFPVBQESA-N 0 3 240.416 3.532 20 0 BHADHN CCC(C)(C)NCc1ccc(Cl)cc1F ZINC000162952955 202119402 /nfs/dbraw/zinc/11/94/02/202119402.db2.gz NQAOKHATGZTDPZ-UHFFFAOYSA-N 0 3 229.726 3.757 20 0 BHADHN CC1(NCc2ccc(Cl)cc2F)CCCC1 ZINC000162958386 202118442 /nfs/dbraw/zinc/11/84/42/202118442.db2.gz INTKQUBXJXBIBP-UHFFFAOYSA-N 0 3 241.737 3.901 20 0 BHADHN Fc1cc(Cl)ccc1CN[C@H]1CC=CCC1 ZINC000162967467 202120597 /nfs/dbraw/zinc/12/05/97/202120597.db2.gz ANKCHFHKWCSTAC-LBPRGKRZSA-N 0 3 239.721 3.677 20 0 BHADHN Fc1cc(Cl)ccc1CN[C@@H]1CC=CCC1 ZINC000162967594 202120198 /nfs/dbraw/zinc/12/01/98/202120198.db2.gz ANKCHFHKWCSTAC-GFCCVEGCSA-N 0 3 239.721 3.677 20 0 BHADHN C[C@@H](CNCc1ccc(Cl)cc1F)C1CC1 ZINC000162978311 538926143 /nfs/dbraw/zinc/92/61/43/538926143.db2.gz SRRWRYJCKAXEDJ-VIFPVBQESA-N 0 3 241.737 3.615 20 0 BHADHN C[C@H](CNCc1ccc(Cl)cc1F)C1CC1 ZINC000162978419 538926016 /nfs/dbraw/zinc/92/60/16/538926016.db2.gz SRRWRYJCKAXEDJ-SECBINFHSA-N 0 3 241.737 3.615 20 0 BHADHN CC1(NCc2ccc(Cl)cc2F)CCC1 ZINC000162981500 343206013 /nfs/dbraw/zinc/20/60/13/343206013.db2.gz GEZICWIHWYUHRY-UHFFFAOYSA-N 0 3 227.710 3.511 20 0 BHADHN CCC1(NCc2ccc(Cl)cc2F)CCC1 ZINC000162982437 202130062 /nfs/dbraw/zinc/13/00/62/202130062.db2.gz MXUCGSXFPSEZLC-UHFFFAOYSA-N 0 3 241.737 3.901 20 0 BHADHN Fc1cc(Cl)ccc1CNCCCC1CC1 ZINC000162985850 324191043 /nfs/dbraw/zinc/19/10/43/324191043.db2.gz CRCXGFYOTJUJNH-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN C[C@@H]1CC[C@H](NCc2cc(Cl)ccc2F)C1 ZINC000162986575 202129769 /nfs/dbraw/zinc/12/97/69/202129769.db2.gz KPAKVUVFKJKATM-SKDRFNHKSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CC[C@H](NCc2cc(Cl)ccc2F)C1 ZINC000162986685 202129089 /nfs/dbraw/zinc/12/90/89/202129089.db2.gz KPAKVUVFKJKATM-CABZTGNLSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H]1CC[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC000162986790 202129051 /nfs/dbraw/zinc/12/90/51/202129051.db2.gz KPAKVUVFKJKATM-BXKDBHETSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC000162986905 202129957 /nfs/dbraw/zinc/12/99/57/202129957.db2.gz KPAKVUVFKJKATM-JOYOIKCWSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@H](N[C@@H](C)CSC)c1ccccc1F ZINC000163171424 202238849 /nfs/dbraw/zinc/23/88/49/202238849.db2.gz STUYWYIVPHYXDC-GWCFXTLKSA-N 0 3 241.375 3.618 20 0 BHADHN CC[C@@H](N[C@@H](C)CSC)c1ccccc1F ZINC000163171536 202240416 /nfs/dbraw/zinc/24/04/16/202240416.db2.gz STUYWYIVPHYXDC-GXFFZTMASA-N 0 3 241.375 3.618 20 0 BHADHN CC[C@H](N[C@H](C)CSC)c1ccccc1F ZINC000163171639 202244484 /nfs/dbraw/zinc/24/44/84/202244484.db2.gz STUYWYIVPHYXDC-MFKMUULPSA-N 0 3 241.375 3.618 20 0 BHADHN CC[C@@H](N[C@H](C)CSC)c1ccccc1F ZINC000163171733 202244737 /nfs/dbraw/zinc/24/47/37/202244737.db2.gz STUYWYIVPHYXDC-ZWNOBZJWSA-N 0 3 241.375 3.618 20 0 BHADHN CC[C@H](NC1CC=CC1)c1ccccc1F ZINC000163174863 538927107 /nfs/dbraw/zinc/92/71/07/538927107.db2.gz OXFRUDZYIBPIEK-AWEZNQCLSA-N 0 3 219.303 3.585 20 0 BHADHN CC[C@@H](NC1CC=CC1)c1ccccc1F ZINC000163174977 538927195 /nfs/dbraw/zinc/92/71/95/538927195.db2.gz OXFRUDZYIBPIEK-CQSZACIVSA-N 0 3 219.303 3.585 20 0 BHADHN CCCN[C@@H](C)c1c(F)cccc1Cl ZINC000163180499 386508973 /nfs/dbraw/zinc/50/89/73/386508973.db2.gz DSAFLXGLUACXPQ-QMMMGPOBSA-N 0 3 215.699 3.540 20 0 BHADHN CCCN[C@H](C)c1c(F)cccc1Cl ZINC000163180598 202247661 /nfs/dbraw/zinc/24/76/61/202247661.db2.gz DSAFLXGLUACXPQ-MRVPVSSYSA-N 0 3 215.699 3.540 20 0 BHADHN CC[C@H](NC1CC(C)C1)c1ccccc1F ZINC000163183219 350513015 /nfs/dbraw/zinc/51/30/15/350513015.db2.gz RVWYQQVFUKRVIO-MGULZYLOSA-N 0 3 221.319 3.665 20 0 BHADHN CC[C@@H](NC1CC(C)C1)c1ccccc1F ZINC000163183342 350512339 /nfs/dbraw/zinc/51/23/39/350512339.db2.gz RVWYQQVFUKRVIO-QIMFLAQGSA-N 0 3 221.319 3.665 20 0 BHADHN CC[C@H](NC[C@@H](C)SC)c1ccccc1F ZINC000163185103 202251757 /nfs/dbraw/zinc/25/17/57/202251757.db2.gz CZBLHFKCBNYBFQ-MFKMUULPSA-N 0 3 241.375 3.618 20 0 BHADHN CC[C@@H](NC[C@@H](C)SC)c1ccccc1F ZINC000163185230 202251510 /nfs/dbraw/zinc/25/15/10/202251510.db2.gz CZBLHFKCBNYBFQ-ZWNOBZJWSA-N 0 3 241.375 3.618 20 0 BHADHN CC[C@H](NC[C@H](C)SC)c1ccccc1F ZINC000163185367 202251218 /nfs/dbraw/zinc/25/12/18/202251218.db2.gz CZBLHFKCBNYBFQ-GWCFXTLKSA-N 0 3 241.375 3.618 20 0 BHADHN CC[C@@H](NC[C@H](C)SC)c1ccccc1F ZINC000163185497 202250796 /nfs/dbraw/zinc/25/07/96/202250796.db2.gz CZBLHFKCBNYBFQ-GXFFZTMASA-N 0 3 241.375 3.618 20 0 BHADHN C[C@H](NC[C@H]1C[C@@H]1c1ccccc1)c1ccco1 ZINC000163269367 487706647 /nfs/dbraw/zinc/70/66/47/487706647.db2.gz KNQQKPNNZKXQFS-NWANDNLSSA-N 0 3 241.334 3.734 20 0 BHADHN C[C@@H](NC[C@H]1C[C@@H]1c1ccccc1)c1ccco1 ZINC000163269466 487706468 /nfs/dbraw/zinc/70/64/68/487706468.db2.gz KNQQKPNNZKXQFS-BPLDGKMQSA-N 0 3 241.334 3.734 20 0 BHADHN CCOc1ccccc1[C@@H](C)NC1CC(C)C1 ZINC000163380356 388273414 /nfs/dbraw/zinc/27/34/14/388273414.db2.gz GIMGQKKCABMRKR-OTTFEQOBSA-N 0 3 233.355 3.534 20 0 BHADHN CCOc1ccccc1[C@H](C)NC1CC(C)C1 ZINC000163380488 388272764 /nfs/dbraw/zinc/27/27/64/388272764.db2.gz GIMGQKKCABMRKR-CPCZMJQVSA-N 0 3 233.355 3.534 20 0 BHADHN Cc1ccc(CN[C@@H](C)CCCC(F)(F)F)o1 ZINC000163413435 350521223 /nfs/dbraw/zinc/52/12/23/350521223.db2.gz CBTKHCLEKTZPRQ-VIFPVBQESA-N 0 3 249.276 3.799 20 0 BHADHN Cc1ccc(CN[C@H](C)CCCC(F)(F)F)o1 ZINC000163413564 350520702 /nfs/dbraw/zinc/52/07/02/350520702.db2.gz CBTKHCLEKTZPRQ-SECBINFHSA-N 0 3 249.276 3.799 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1NCc1nccn1C(C)C ZINC000163423558 350522338 /nfs/dbraw/zinc/52/23/38/350522338.db2.gz WTWAINYJRCJEFQ-KGLIPLIRSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H]1CCCC[C@@H]1NCc1nccn1C(C)C ZINC000163423674 350522164 /nfs/dbraw/zinc/52/21/64/350522164.db2.gz WTWAINYJRCJEFQ-KBPBESRZSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H]1CCCC[C@H]1NCc1nccn1C(C)C ZINC000163423779 350521700 /nfs/dbraw/zinc/52/17/00/350521700.db2.gz WTWAINYJRCJEFQ-ZIAGYGMSSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H]1CCCC[C@H]1NCc1nccn1C(C)C ZINC000163423897 350522018 /nfs/dbraw/zinc/52/20/18/350522018.db2.gz WTWAINYJRCJEFQ-UONOGXRCSA-N 0 3 249.402 3.522 20 0 BHADHN Cc1ccc(CNCCCC2CCCC2)o1 ZINC000163625704 135022159 /nfs/dbraw/zinc/02/21/59/135022159.db2.gz NSERBGFZGHDHKU-UHFFFAOYSA-N 0 3 221.344 3.648 20 0 BHADHN Clc1ccc(CNCCCC2CCCC2)o1 ZINC000163626318 326404237 /nfs/dbraw/zinc/40/42/37/326404237.db2.gz JAPVHSRIYJCZIF-UHFFFAOYSA-N 0 3 241.762 3.993 20 0 BHADHN Cc1nc(CNCCCC2CCCC2)cs1 ZINC000163626436 135022123 /nfs/dbraw/zinc/02/21/23/135022123.db2.gz AJLOHDKARAECTI-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccccc1)c1ccncc1 ZINC000163656862 384838808 /nfs/dbraw/zinc/83/88/08/384838808.db2.gz YKBXQHVRZGWSFP-BBRMVZONSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccccc1)c1ccncc1 ZINC000163656973 170908217 /nfs/dbraw/zinc/90/82/17/170908217.db2.gz YKBXQHVRZGWSFP-XJKSGUPXSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@H](N[C@H](C)c1ccccc1)c1ccncc1 ZINC000163657097 384839638 /nfs/dbraw/zinc/83/96/38/384839638.db2.gz YKBXQHVRZGWSFP-CJNGLKHVSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccccc1)c1ccncc1 ZINC000163657204 346570651 /nfs/dbraw/zinc/57/06/51/346570651.db2.gz YKBXQHVRZGWSFP-CZUORRHYSA-N 0 3 240.350 3.884 20 0 BHADHN CC[C@H](N[C@@H](C)c1cccs1)c1ccncc1 ZINC000163658059 171538208 /nfs/dbraw/zinc/53/82/08/171538208.db2.gz JGWIQACMBGGDOS-AAEUAGOBSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cccs1)c1ccncc1 ZINC000163658154 346571189 /nfs/dbraw/zinc/57/11/89/346571189.db2.gz JGWIQACMBGGDOS-WCQYABFASA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@H](N[C@H](C)c1cccs1)c1ccncc1 ZINC000163658241 384842152 /nfs/dbraw/zinc/84/21/52/384842152.db2.gz JGWIQACMBGGDOS-YPMHNXCESA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@@H](N[C@H](C)c1cccs1)c1ccncc1 ZINC000163658323 346570643 /nfs/dbraw/zinc/57/06/43/346570643.db2.gz JGWIQACMBGGDOS-DGCLKSJQSA-N 0 3 246.379 3.945 20 0 BHADHN C[C@@H]1CCC[C@H](CNCc2ccc(Cl)o2)C1 ZINC000163673953 387859961 /nfs/dbraw/zinc/85/99/61/387859961.db2.gz QETLRLMFFQFSTQ-MNOVXSKESA-N 0 3 241.762 3.849 20 0 BHADHN C[C@H]1CCC[C@H](CNCc2ccc(Cl)o2)C1 ZINC000163674072 387859782 /nfs/dbraw/zinc/85/97/82/387859782.db2.gz QETLRLMFFQFSTQ-QWRGUYRKSA-N 0 3 241.762 3.849 20 0 BHADHN C[C@@H]1CCC[C@@H](CNCc2ccc(Cl)o2)C1 ZINC000163674199 387860761 /nfs/dbraw/zinc/86/07/61/387860761.db2.gz QETLRLMFFQFSTQ-GHMZBOCLSA-N 0 3 241.762 3.849 20 0 BHADHN C[C@H]1CCC[C@@H](CNCc2ccc(Cl)o2)C1 ZINC000163674319 387859867 /nfs/dbraw/zinc/85/98/67/387859867.db2.gz QETLRLMFFQFSTQ-WDEREUQCSA-N 0 3 241.762 3.849 20 0 BHADHN CC[C@H](NCCOC(C)(C)C)c1cccs1 ZINC000163716177 387899088 /nfs/dbraw/zinc/89/90/88/387899088.db2.gz UBFMEBPVYBYHJD-NSHDSACASA-N 0 3 241.400 3.604 20 0 BHADHN CC[C@@H](NCCOC(C)(C)C)c1cccs1 ZINC000163716315 387898822 /nfs/dbraw/zinc/89/88/22/387898822.db2.gz UBFMEBPVYBYHJD-LLVKDONJSA-N 0 3 241.400 3.604 20 0 BHADHN Cc1ccc([C@@H](C)NCCOC(C)(C)C)s1 ZINC000163718860 388366648 /nfs/dbraw/zinc/36/66/48/388366648.db2.gz DTLUINLMMWLTKA-LLVKDONJSA-N 0 3 241.400 3.522 20 0 BHADHN Cc1ccc([C@H](C)NCCOC(C)(C)C)s1 ZINC000163718974 388366377 /nfs/dbraw/zinc/36/63/77/388366377.db2.gz DTLUINLMMWLTKA-NSHDSACASA-N 0 3 241.400 3.522 20 0 BHADHN CC(C)(NCc1cccs1)c1ccccc1 ZINC000163738542 191118667 /nfs/dbraw/zinc/11/86/67/191118667.db2.gz FQPFYKRXBLTDQQ-UHFFFAOYSA-N 0 3 231.364 3.773 20 0 BHADHN CC(C)(NCc1ccsc1)c1ccccc1 ZINC000163738835 188336485 /nfs/dbraw/zinc/33/64/85/188336485.db2.gz YKZXAMYEAODVEL-UHFFFAOYSA-N 0 3 231.364 3.773 20 0 BHADHN c1cc(CNCCCC2CCCCC2)co1 ZINC000163790323 183350042 /nfs/dbraw/zinc/35/00/42/183350042.db2.gz ZYCLKSAYWLRNCA-UHFFFAOYSA-N 0 3 221.344 3.730 20 0 BHADHN CC[C@@H](CSC)Nc1ccnc2ccccc21 ZINC000163804395 388043564 /nfs/dbraw/zinc/04/35/64/388043564.db2.gz WNURQMHDWKKMLG-NSHDSACASA-N 0 3 246.379 3.788 20 0 BHADHN CC[C@H](CSC)Nc1ccnc2ccccc21 ZINC000163804530 388043700 /nfs/dbraw/zinc/04/37/00/388043700.db2.gz WNURQMHDWKKMLG-LLVKDONJSA-N 0 3 246.379 3.788 20 0 BHADHN CCSCCCNCc1ccccc1Cl ZINC000163820320 135207442 /nfs/dbraw/zinc/20/74/42/135207442.db2.gz SPEONSXRZHIQBA-UHFFFAOYSA-N 0 3 243.803 3.573 20 0 BHADHN CCSCCCN[C@@H](C)c1cc(C)oc1C ZINC000163840163 135208547 /nfs/dbraw/zinc/20/85/47/135208547.db2.gz IASQVLNEVZSSEE-NSHDSACASA-N 0 3 241.400 3.690 20 0 BHADHN CCSCCCN[C@H](C)c1cc(C)oc1C ZINC000163840292 135208768 /nfs/dbraw/zinc/20/87/68/135208768.db2.gz IASQVLNEVZSSEE-LLVKDONJSA-N 0 3 241.400 3.690 20 0 BHADHN CC[C@@H](CSC)NCc1cc2ccccc2o1 ZINC000163861983 135207723 /nfs/dbraw/zinc/20/77/23/135207723.db2.gz HUTGKHNXOHVMRB-LBPRGKRZSA-N 0 3 249.379 3.664 20 0 BHADHN CC[C@H](CSC)NCc1cc2ccccc2o1 ZINC000163862119 135208207 /nfs/dbraw/zinc/20/82/07/135208207.db2.gz HUTGKHNXOHVMRB-GFCCVEGCSA-N 0 3 249.379 3.664 20 0 BHADHN CC1(NCc2cccnc2Cl)CCCCC1 ZINC000163874610 168064247 /nfs/dbraw/zinc/06/42/47/168064247.db2.gz YPQMKSAEBUJUDJ-UHFFFAOYSA-N 0 3 238.762 3.547 20 0 BHADHN CC(C)(C)CCCCNCc1ccco1 ZINC000163877927 388098392 /nfs/dbraw/zinc/09/83/92/388098392.db2.gz BTPZGYQTRMSNPK-UHFFFAOYSA-N 0 3 209.333 3.586 20 0 BHADHN Cc1ccc(CNCCCCC(C)(C)C)o1 ZINC000163878039 384872769 /nfs/dbraw/zinc/87/27/69/384872769.db2.gz WBQWZVDVPLRCMM-UHFFFAOYSA-N 0 3 223.360 3.894 20 0 BHADHN CC(C)(C)SCCNCc1ccc(Cl)o1 ZINC000163880236 640425262 /nfs/dbraw/zinc/42/52/62/640425262.db2.gz JEZRSGWSSIRZLM-UHFFFAOYSA-N 0 3 247.791 3.554 20 0 BHADHN CC[C@H](NCCC(F)(F)F)c1ccccc1F ZINC000164069378 535898728 /nfs/dbraw/zinc/89/87/28/535898728.db2.gz LRSMHSLYNGVTBY-NSHDSACASA-N 0 3 249.251 3.819 20 0 BHADHN CC[C@@H](NCCC(F)(F)F)c1ccccc1F ZINC000164069504 535803385 /nfs/dbraw/zinc/80/33/85/535803385.db2.gz LRSMHSLYNGVTBY-LLVKDONJSA-N 0 3 249.251 3.819 20 0 BHADHN CC1CCC(C)(NCc2ccc(Cl)o2)CC1 ZINC000164084318 202870080 /nfs/dbraw/zinc/87/00/80/202870080.db2.gz ZHWINYJMYZIBFI-UHFFFAOYSA-N 0 3 241.762 3.991 20 0 BHADHN CCC(C)(CC)NCc1cccc(F)c1F ZINC000164090657 372096967 /nfs/dbraw/zinc/09/69/67/372096967.db2.gz DJEJZKXITOLGAE-UHFFFAOYSA-N 0 3 227.298 3.633 20 0 BHADHN CCC(C)(CC)NCc1cc(F)ccc1F ZINC000164091228 388149649 /nfs/dbraw/zinc/14/96/49/388149649.db2.gz PEEGKYUMNRGYLD-UHFFFAOYSA-N 0 3 227.298 3.633 20 0 BHADHN CCC(C)(CC)NCc1ccc(F)cc1F ZINC000164092359 372096777 /nfs/dbraw/zinc/09/67/77/372096777.db2.gz UULLCBHOFRKEEJ-UHFFFAOYSA-N 0 3 227.298 3.633 20 0 BHADHN CCC(C)(CC)NCc1ccc(Cl)o1 ZINC000164095635 388151890 /nfs/dbraw/zinc/15/18/90/388151890.db2.gz NIYSZTKSXQKLAH-UHFFFAOYSA-N 0 3 215.724 3.601 20 0 BHADHN Cc1ccc(F)c(CNCCCC(C)C)c1 ZINC000164106635 384917478 /nfs/dbraw/zinc/91/74/78/384917478.db2.gz IZXGHAOYAYHWOE-UHFFFAOYSA-N 0 3 223.335 3.660 20 0 BHADHN Cc1csc(CNCCCC2CCCC2)n1 ZINC000164133660 135212894 /nfs/dbraw/zinc/21/28/94/135212894.db2.gz SYASKODGKDAFEB-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN C[C@@H](CC(F)(F)F)NC/C=C/c1ccccc1 ZINC000164162778 397990241 /nfs/dbraw/zinc/99/02/41/397990241.db2.gz FDCSELFVXWTPGD-BWNDKRECSA-N 0 3 243.272 3.630 20 0 BHADHN C[C@H](CC(F)(F)F)NC/C=C/c1ccccc1 ZINC000164162887 397990191 /nfs/dbraw/zinc/99/01/91/397990191.db2.gz FDCSELFVXWTPGD-AYLMVEPYSA-N 0 3 243.272 3.630 20 0 BHADHN Cc1ccc(CN[C@@H](C)CCC(C)(C)C)o1 ZINC000164180019 388166300 /nfs/dbraw/zinc/16/63/00/388166300.db2.gz MINNRUALPULUNZ-NSHDSACASA-N 0 3 223.360 3.892 20 0 BHADHN Cc1ccc(CN[C@H](C)CCC(C)(C)C)o1 ZINC000164180141 388166610 /nfs/dbraw/zinc/16/66/10/388166610.db2.gz MINNRUALPULUNZ-LLVKDONJSA-N 0 3 223.360 3.892 20 0 BHADHN C[C@@H](CCC(C)(C)C)NCc1ccoc1 ZINC000164180638 135213967 /nfs/dbraw/zinc/21/39/67/135213967.db2.gz WXXHHIDINFZFEE-NSHDSACASA-N 0 3 209.333 3.584 20 0 BHADHN C[C@H](CCC(C)(C)C)NCc1ccoc1 ZINC000164180754 388166260 /nfs/dbraw/zinc/16/62/60/388166260.db2.gz WXXHHIDINFZFEE-LLVKDONJSA-N 0 3 209.333 3.584 20 0 BHADHN CC[C@@H](C)N[C@@H](CC)c1ccc(F)cc1F ZINC000164193755 535603122 /nfs/dbraw/zinc/60/31/22/535603122.db2.gz OHFQQYRMAXBBNE-RNCFNFMXSA-N 0 3 227.298 3.804 20 0 BHADHN CC[C@H](C)N[C@@H](CC)c1ccc(F)cc1F ZINC000164193868 171345875 /nfs/dbraw/zinc/34/58/75/171345875.db2.gz OHFQQYRMAXBBNE-ZANVPECISA-N 0 3 227.298 3.804 20 0 BHADHN CC[C@@H](C)N[C@H](CC)c1ccc(F)cc1F ZINC000164193978 384938731 /nfs/dbraw/zinc/93/87/31/384938731.db2.gz OHFQQYRMAXBBNE-NOZJJQNGSA-N 0 3 227.298 3.804 20 0 BHADHN CC[C@@H](N[C@@H](C)CC)c1ccc(F)cc1F ZINC000164194096 171347946 /nfs/dbraw/zinc/34/79/46/171347946.db2.gz OHFQQYRMAXBBNE-TVQRCGJNSA-N 0 3 227.298 3.804 20 0 BHADHN CCCCN[C@@H](CC)c1ccc(F)cc1F ZINC000164194224 135215551 /nfs/dbraw/zinc/21/55/51/135215551.db2.gz SVWVNBKELIIMHL-ZDUSSCGKSA-N 0 3 227.298 3.806 20 0 BHADHN CCCCN[C@H](CC)c1ccc(F)cc1F ZINC000164194336 535294649 /nfs/dbraw/zinc/29/46/49/535294649.db2.gz SVWVNBKELIIMHL-CYBMUJFWSA-N 0 3 227.298 3.806 20 0 BHADHN CC(C)(C)CCCNCc1ccccc1F ZINC000164311888 326411977 /nfs/dbraw/zinc/41/19/77/326411977.db2.gz FXSTVYADJYQKJB-UHFFFAOYSA-N 0 3 223.335 3.742 20 0 BHADHN Cc1ccc(CNCCCC(C)(C)C)o1 ZINC000164312159 361738417 /nfs/dbraw/zinc/73/84/17/361738417.db2.gz FJABJQWEVVQSCR-UHFFFAOYSA-N 0 3 209.333 3.504 20 0 BHADHN CC(C)(C)CCCNCc1ccc(Cl)o1 ZINC000164312431 372133267 /nfs/dbraw/zinc/13/32/67/372133267.db2.gz NYJBZKMKBBIWKD-UHFFFAOYSA-N 0 3 229.751 3.849 20 0 BHADHN CCc1ccc([C@@H](C)N[C@@H](C)CC2CC2)o1 ZINC000164336265 388231235 /nfs/dbraw/zinc/23/12/35/388231235.db2.gz DLYYMNSIACRERM-WDEREUQCSA-N 0 3 221.344 3.681 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H](C)CC2CC2)o1 ZINC000164336422 388231278 /nfs/dbraw/zinc/23/12/78/388231278.db2.gz DLYYMNSIACRERM-QWRGUYRKSA-N 0 3 221.344 3.681 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H](C)CC2CC2)o1 ZINC000164336545 388231364 /nfs/dbraw/zinc/23/13/64/388231364.db2.gz DLYYMNSIACRERM-GHMZBOCLSA-N 0 3 221.344 3.681 20 0 BHADHN CCc1ccc([C@H](C)N[C@H](C)CC2CC2)o1 ZINC000164336674 388231421 /nfs/dbraw/zinc/23/14/21/388231421.db2.gz DLYYMNSIACRERM-MNOVXSKESA-N 0 3 221.344 3.681 20 0 BHADHN C[C@@H](CCC1CCCC1)NCc1ccco1 ZINC000164337789 135219396 /nfs/dbraw/zinc/21/93/96/135219396.db2.gz WIPRTJZOCTYDSE-LBPRGKRZSA-N 0 3 221.344 3.728 20 0 BHADHN C[C@H](CCC1CCCC1)NCc1ccco1 ZINC000164337902 135219866 /nfs/dbraw/zinc/21/98/66/135219866.db2.gz WIPRTJZOCTYDSE-GFCCVEGCSA-N 0 3 221.344 3.728 20 0 BHADHN C[C@@H](CCC1CCCC1)NCc1ccoc1 ZINC000164338870 136222375 /nfs/dbraw/zinc/22/23/75/136222375.db2.gz MMSXWHFBBWDVAB-LBPRGKRZSA-N 0 3 221.344 3.728 20 0 BHADHN C[C@H](CCC1CCCC1)NCc1ccoc1 ZINC000164338989 135219329 /nfs/dbraw/zinc/21/93/29/135219329.db2.gz MMSXWHFBBWDVAB-GFCCVEGCSA-N 0 3 221.344 3.728 20 0 BHADHN Cc1ccoc1CNCCCC1CCCC1 ZINC000164416995 135249572 /nfs/dbraw/zinc/24/95/72/135249572.db2.gz BGCNJNPARKSPCT-UHFFFAOYSA-N 0 3 221.344 3.648 20 0 BHADHN Cc1ccoc1CNCCCCC(C)(C)C ZINC000164499531 203138278 /nfs/dbraw/zinc/13/82/78/203138278.db2.gz SUKJFJKSMKLUPK-UHFFFAOYSA-N 0 3 223.360 3.894 20 0 BHADHN Cc1ccc(CN[C@@H](C)CC(F)(F)F)c(C)c1 ZINC000164514998 203151296 /nfs/dbraw/zinc/15/12/96/203151296.db2.gz YOQAOTQYCKBBLV-NSHDSACASA-N 0 3 245.288 3.734 20 0 BHADHN Cc1ccc(CN[C@H](C)CC(F)(F)F)c(C)c1 ZINC000164515089 203151833 /nfs/dbraw/zinc/15/18/33/203151833.db2.gz YOQAOTQYCKBBLV-LLVKDONJSA-N 0 3 245.288 3.734 20 0 BHADHN Cc1ccoc1CN[C@@H](C)CCC(C)(C)C ZINC000164600132 203203115 /nfs/dbraw/zinc/20/31/15/203203115.db2.gz WKWKGMQJXDTSQC-LBPRGKRZSA-N 0 3 223.360 3.892 20 0 BHADHN Cc1ccoc1CN[C@H](C)CCC(C)(C)C ZINC000164600262 203203321 /nfs/dbraw/zinc/20/33/21/203203321.db2.gz WKWKGMQJXDTSQC-GFCCVEGCSA-N 0 3 223.360 3.892 20 0 BHADHN Cc1ccoc1CNCCCC(C)(C)C ZINC000164637437 388381294 /nfs/dbraw/zinc/38/12/94/388381294.db2.gz QHBLOLCWIYZTEX-UHFFFAOYSA-N 0 3 209.333 3.504 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1cscn1 ZINC000164648439 364773219 /nfs/dbraw/zinc/77/32/19/364773219.db2.gz BVFGBVJUIRLOBT-NOOOWODRSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1cscn1 ZINC000164648564 364772875 /nfs/dbraw/zinc/77/28/75/364772875.db2.gz BVFGBVJUIRLOBT-FIQHERPVSA-N 0 3 238.400 3.618 20 0 BHADHN Cc1cnc(CNC2CCC(C)(C)CC2)s1 ZINC000164839526 386331313 /nfs/dbraw/zinc/33/13/13/386331313.db2.gz YSFWYJBCNAZZGN-UHFFFAOYSA-N 0 3 238.400 3.510 20 0 BHADHN CCC1CCC(NCc2ncc(C)s2)CC1 ZINC000164842367 386335697 /nfs/dbraw/zinc/33/56/97/386335697.db2.gz HEKCYAOHPXMUCC-UHFFFAOYSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H]1CCC[C@H](NCc2ncc(C)s2)C1 ZINC000164843125 386334287 /nfs/dbraw/zinc/33/42/87/386334287.db2.gz IQTYQHYVGXIFQN-NEPJUHHUSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCC[C@H](NCc2ncc(C)s2)C1 ZINC000164843220 386334187 /nfs/dbraw/zinc/33/41/87/386334187.db2.gz IQTYQHYVGXIFQN-RYUDHWBXSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H]1CCC[C@@H](NCc2ncc(C)s2)C1 ZINC000164843350 386334277 /nfs/dbraw/zinc/33/42/77/386334277.db2.gz IQTYQHYVGXIFQN-VXGBXAGGSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCC[C@@H](NCc2ncc(C)s2)C1 ZINC000164843444 386335102 /nfs/dbraw/zinc/33/51/02/386335102.db2.gz IQTYQHYVGXIFQN-NWDGAFQWSA-N 0 3 238.400 3.510 20 0 BHADHN CC1(C)CC[C@H](NCc2c(F)cccc2F)C1 ZINC000164871978 203381638 /nfs/dbraw/zinc/38/16/38/203381638.db2.gz FRBCTPZPALSGBA-JTQLQIEISA-N 0 3 239.309 3.633 20 0 BHADHN CC1(C)CC[C@@H](NCc2c(F)cccc2F)C1 ZINC000164872102 203381981 /nfs/dbraw/zinc/38/19/81/203381981.db2.gz FRBCTPZPALSGBA-SNVBAGLBSA-N 0 3 239.309 3.633 20 0 BHADHN CCCNCc1ccc(Oc2ccccc2)o1 ZINC000164879944 326418164 /nfs/dbraw/zinc/41/81/64/326418164.db2.gz UZEKIAGDTIQSCT-UHFFFAOYSA-N 0 3 231.295 3.572 20 0 BHADHN CCc1cnc(CNC2CCCCCC2)s1 ZINC000164907426 386426822 /nfs/dbraw/zinc/42/68/22/386426822.db2.gz GVPRAXKVJKJCIW-UHFFFAOYSA-N 0 3 238.400 3.518 20 0 BHADHN c1coc(CNCCCCC2CCCC2)c1 ZINC000164926700 203381846 /nfs/dbraw/zinc/38/18/46/203381846.db2.gz FFKBOCXCMKJSFT-UHFFFAOYSA-N 0 3 221.344 3.730 20 0 BHADHN CCC1(NCc2cc(C)ccc2F)CCC1 ZINC000165169764 206139114 /nfs/dbraw/zinc/13/91/14/206139114.db2.gz SYFSGQGJSACGFK-UHFFFAOYSA-N 0 3 221.319 3.556 20 0 BHADHN CCCC[C@@H](CCC)NCc1cscn1 ZINC000165246218 361836482 /nfs/dbraw/zinc/83/64/82/361836482.db2.gz GLCSTNWXIALDAI-LLVKDONJSA-N 0 3 226.389 3.592 20 0 BHADHN CCCC[C@H](CCC)NCc1cscn1 ZINC000165246349 169002733 /nfs/dbraw/zinc/00/27/33/169002733.db2.gz GLCSTNWXIALDAI-NSHDSACASA-N 0 3 226.389 3.592 20 0 BHADHN CCCC[C@@H](CCC)NCc1nc(C)cs1 ZINC000165248539 203383834 /nfs/dbraw/zinc/38/38/34/203383834.db2.gz ZRJRYPSKVMKOTJ-GFCCVEGCSA-N 0 3 240.416 3.900 20 0 BHADHN CCCC[C@H](CCC)NCc1nc(C)cs1 ZINC000165248649 385093094 /nfs/dbraw/zinc/09/30/94/385093094.db2.gz ZRJRYPSKVMKOTJ-LBPRGKRZSA-N 0 3 240.416 3.900 20 0 BHADHN CCCC[C@@H](CCC)NCc1csc(C)n1 ZINC000165249014 203383457 /nfs/dbraw/zinc/38/34/57/203383457.db2.gz ZBLGYXZOLDJPNS-GFCCVEGCSA-N 0 3 240.416 3.900 20 0 BHADHN CCCC[C@H](CCC)NCc1csc(C)n1 ZINC000165249127 203384196 /nfs/dbraw/zinc/38/41/96/203384196.db2.gz ZBLGYXZOLDJPNS-LBPRGKRZSA-N 0 3 240.416 3.900 20 0 BHADHN CC[C@H](NCCCC(C)C)c1nccs1 ZINC000165251477 361836398 /nfs/dbraw/zinc/83/63/98/361836398.db2.gz ZCJYKMNXSNNWGO-NSHDSACASA-N 0 3 226.389 3.620 20 0 BHADHN CC[C@@H](NCCCC(C)C)c1nccs1 ZINC000165251595 353266058 /nfs/dbraw/zinc/26/60/58/353266058.db2.gz ZCJYKMNXSNNWGO-LLVKDONJSA-N 0 3 226.389 3.620 20 0 BHADHN Cc1csc([C@@H](C)NCCCC(C)C)n1 ZINC000165251955 361837057 /nfs/dbraw/zinc/83/70/57/361837057.db2.gz WBPPEGGXTHOMIW-LLVKDONJSA-N 0 3 226.389 3.538 20 0 BHADHN Cc1csc([C@H](C)NCCCC(C)C)n1 ZINC000165252080 361836236 /nfs/dbraw/zinc/83/62/36/361836236.db2.gz WBPPEGGXTHOMIW-NSHDSACASA-N 0 3 226.389 3.538 20 0 BHADHN CC(C)c1nc([C@@H](C)N[C@@H](C)C2CC2)cs1 ZINC000165341959 203384139 /nfs/dbraw/zinc/38/41/39/203384139.db2.gz OQNHDRCDRLNTBT-VHSXEESVSA-N 0 3 238.400 3.716 20 0 BHADHN CC(C)c1nc([C@H](C)N[C@@H](C)C2CC2)cs1 ZINC000165342077 203383637 /nfs/dbraw/zinc/38/36/37/203383637.db2.gz OQNHDRCDRLNTBT-UWVGGRQHSA-N 0 3 238.400 3.716 20 0 BHADHN CC(C)c1nc([C@@H](C)N[C@H](C)C2CC2)cs1 ZINC000165342174 203382610 /nfs/dbraw/zinc/38/26/10/203382610.db2.gz OQNHDRCDRLNTBT-NXEZZACHSA-N 0 3 238.400 3.716 20 0 BHADHN CC(C)c1nc([C@H](C)N[C@H](C)C2CC2)cs1 ZINC000165342288 203383796 /nfs/dbraw/zinc/38/37/96/203383796.db2.gz OQNHDRCDRLNTBT-ZJUUUORDSA-N 0 3 238.400 3.716 20 0 BHADHN CCCC(CCC)NCc1ncc(C)s1 ZINC000165387769 388400539 /nfs/dbraw/zinc/40/05/39/388400539.db2.gz LOWRYSDJDPRORR-UHFFFAOYSA-N 0 3 226.389 3.510 20 0 BHADHN Cc1cnc(CN[C@@H](C)C2CCCCC2)s1 ZINC000165387920 387524528 /nfs/dbraw/zinc/52/45/28/387524528.db2.gz MBSUHEQXGMIEIE-NSHDSACASA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cnc(CN[C@H](C)C2CCCCC2)s1 ZINC000165388038 203382432 /nfs/dbraw/zinc/38/24/32/203382432.db2.gz MBSUHEQXGMIEIE-LLVKDONJSA-N 0 3 238.400 3.510 20 0 BHADHN CCCC(CCC)NCc1ncc(CC)s1 ZINC000165392789 203382987 /nfs/dbraw/zinc/38/29/87/203382987.db2.gz OFWLNYGSLOGUQQ-UHFFFAOYSA-N 0 3 240.416 3.764 20 0 BHADHN C[C@H](N[C@@H](C)C1CC1)c1c(F)cccc1Cl ZINC000165407007 385120489 /nfs/dbraw/zinc/12/04/89/385120489.db2.gz UTJKWEJGLGTGRO-IUCAKERBSA-N 0 3 241.737 3.928 20 0 BHADHN C[C@@H](N[C@@H](C)C1CC1)c1c(F)cccc1Cl ZINC000165407127 203382562 /nfs/dbraw/zinc/38/25/62/203382562.db2.gz UTJKWEJGLGTGRO-DTWKUNHWSA-N 0 3 241.737 3.928 20 0 BHADHN C[C@@H](N[C@@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000165407255 203383596 /nfs/dbraw/zinc/38/35/96/203383596.db2.gz UTJKWEJGLGTGRO-BDAKNGLRSA-N 0 3 241.737 3.928 20 0 BHADHN C[C@@H](N[C@H](C)C1CC1)c1c(F)cccc1Cl ZINC000165407379 203382791 /nfs/dbraw/zinc/38/27/91/203382791.db2.gz UTJKWEJGLGTGRO-RKDXNWHRSA-N 0 3 241.737 3.928 20 0 BHADHN CCC1(CN[C@@H](C)c2ccccc2F)CC1 ZINC000165443605 353349756 /nfs/dbraw/zinc/34/97/56/353349756.db2.gz SNHDFRJWMBYBFW-NSHDSACASA-N 0 3 221.319 3.667 20 0 BHADHN CCC1(CN[C@H](C)c2ccccc2F)CC1 ZINC000165443723 353349761 /nfs/dbraw/zinc/34/97/61/353349761.db2.gz SNHDFRJWMBYBFW-LLVKDONJSA-N 0 3 221.319 3.667 20 0 BHADHN C[C@H](NCC1(C)CCC1)c1ccccc1F ZINC000165445148 353349832 /nfs/dbraw/zinc/34/98/32/353349832.db2.gz WQMVNLVDZREDFB-NSHDSACASA-N 0 3 221.319 3.667 20 0 BHADHN C[C@@H](NCC1(C)CCC1)c1ccccc1F ZINC000165445262 353349734 /nfs/dbraw/zinc/34/97/34/353349734.db2.gz WQMVNLVDZREDFB-LLVKDONJSA-N 0 3 221.319 3.667 20 0 BHADHN CCC1(CNCc2c(F)cccc2Cl)CC1 ZINC000165462867 203385508 /nfs/dbraw/zinc/38/55/08/203385508.db2.gz QWBZSMNQBLROPW-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CCC1(CNCc2ccccc2Cl)CC1 ZINC000165467267 361840503 /nfs/dbraw/zinc/84/05/03/361840503.db2.gz XRQDPZJOVWWXQT-UHFFFAOYSA-N 0 3 223.747 3.620 20 0 BHADHN CC1(CNCc2c(F)cccc2Cl)CCC1 ZINC000165480873 203385811 /nfs/dbraw/zinc/38/58/11/203385811.db2.gz HOFZQVBWCFMKIJ-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CC1(CNCc2ccccc2Cl)CCC1 ZINC000165485524 361840252 /nfs/dbraw/zinc/84/02/52/361840252.db2.gz QWNMQDUPFIVHGK-UHFFFAOYSA-N 0 3 223.747 3.620 20 0 BHADHN C[C@H]1CCC[C@H](C)N1CCC(=O)c1ccccc1 ZINC000165487573 203386135 /nfs/dbraw/zinc/38/61/35/203386135.db2.gz QVBFEMOVGUOSBU-KBPBESRZSA-N 0 3 245.366 3.522 20 0 BHADHN C[C@@H]1CCC[C@@H](C)N1CCC(=O)c1ccccc1 ZINC000165487695 203385221 /nfs/dbraw/zinc/38/52/21/203385221.db2.gz QVBFEMOVGUOSBU-ZIAGYGMSSA-N 0 3 245.366 3.522 20 0 BHADHN Cc1ccc(CNCC(C)(C)CC(C)C)o1 ZINC000165538935 203384894 /nfs/dbraw/zinc/38/48/94/203384894.db2.gz UWZWRSNWLKYCCL-UHFFFAOYSA-N 0 3 223.360 3.750 20 0 BHADHN Cc1ccoc1CNCC(C)(C)CC(C)C ZINC000165539203 203385816 /nfs/dbraw/zinc/38/58/16/203385816.db2.gz UZWNQAHJMPYUDQ-UHFFFAOYSA-N 0 3 223.360 3.750 20 0 BHADHN CCC1(CNCc2ccc(Cl)o2)CCC1 ZINC000165577296 358446349 /nfs/dbraw/zinc/44/63/49/358446349.db2.gz QKMDOENXYVNCGH-UHFFFAOYSA-N 0 3 227.735 3.603 20 0 BHADHN CCC[C@@H](CC)NCc1cccc(OC)c1F ZINC000165839431 488046021 /nfs/dbraw/zinc/04/60/21/488046021.db2.gz QQCXOCGGUFEBGG-GFCCVEGCSA-N 0 3 239.334 3.503 20 0 BHADHN CCC[C@H](CC)NCc1cccc(OC)c1F ZINC000165839561 488045848 /nfs/dbraw/zinc/04/58/48/488045848.db2.gz QQCXOCGGUFEBGG-LBPRGKRZSA-N 0 3 239.334 3.503 20 0 BHADHN CC(C)CC1(CNCc2ccc(Cl)o2)CC1 ZINC000165853926 203385474 /nfs/dbraw/zinc/38/54/74/203385474.db2.gz ZDTMFUGQDSOGMA-UHFFFAOYSA-N 0 3 241.762 3.849 20 0 BHADHN Cc1ccc(CNCC2(CC(C)C)CC2)o1 ZINC000165854831 353753286 /nfs/dbraw/zinc/75/32/86/353753286.db2.gz FBPUDSKBWWQSES-UHFFFAOYSA-N 0 3 221.344 3.504 20 0 BHADHN Cc1ccoc1CNCC1(CC(C)C)CC1 ZINC000165856513 353753565 /nfs/dbraw/zinc/75/35/65/353753565.db2.gz IIKJRSAUQGSICM-UHFFFAOYSA-N 0 3 221.344 3.504 20 0 BHADHN CC(C)CC1(CNCc2ccco2)CCC1 ZINC000165859533 353753415 /nfs/dbraw/zinc/75/34/15/353753415.db2.gz FCCUDHVJJUDNFU-UHFFFAOYSA-N 0 3 221.344 3.586 20 0 BHADHN CC[C@@H]1CCC[C@@H]1NCc1ccc(Cl)o1 ZINC000165869478 529311862 /nfs/dbraw/zinc/31/18/62/529311862.db2.gz JTSRVFGMAVGVMD-KOLCDFICSA-N 0 3 227.735 3.601 20 0 BHADHN CC[C@H]1CCC[C@@H]1NCc1ccc(Cl)o1 ZINC000165869580 203385535 /nfs/dbraw/zinc/38/55/35/203385535.db2.gz JTSRVFGMAVGVMD-ONGXEEELSA-N 0 3 227.735 3.601 20 0 BHADHN CC[C@@H]1CCC[C@H]1NCc1ccc(Cl)o1 ZINC000165869699 203384804 /nfs/dbraw/zinc/38/48/04/203384804.db2.gz JTSRVFGMAVGVMD-MWLCHTKSSA-N 0 3 227.735 3.601 20 0 BHADHN CC[C@H]1CCC[C@H]1NCc1ccc(Cl)o1 ZINC000165869830 203385672 /nfs/dbraw/zinc/38/56/72/203385672.db2.gz JTSRVFGMAVGVMD-GXSJLCMTSA-N 0 3 227.735 3.601 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H](C)CC(F)(F)F)cc1 ZINC000165931124 203385952 /nfs/dbraw/zinc/38/59/52/203385952.db2.gz JYTVCWOZWSECSQ-WDEREUQCSA-N 0 3 245.288 3.987 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H](C)CC(F)(F)F)cc1 ZINC000165931234 203386586 /nfs/dbraw/zinc/38/65/86/203386586.db2.gz JYTVCWOZWSECSQ-QWRGUYRKSA-N 0 3 245.288 3.987 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)CC(F)(F)F)cc1 ZINC000165931369 203386195 /nfs/dbraw/zinc/38/61/95/203386195.db2.gz JYTVCWOZWSECSQ-GHMZBOCLSA-N 0 3 245.288 3.987 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)CC(F)(F)F)cc1 ZINC000165931503 387574515 /nfs/dbraw/zinc/57/45/15/387574515.db2.gz JYTVCWOZWSECSQ-MNOVXSKESA-N 0 3 245.288 3.987 20 0 BHADHN CCCC1(CNCc2ccc(C)o2)CCC1 ZINC000165942164 354349096 /nfs/dbraw/zinc/34/90/96/354349096.db2.gz KFAFKELUXDTIML-UHFFFAOYSA-N 0 3 221.344 3.648 20 0 BHADHN CCCC1(CNCc2occc2C)CCC1 ZINC000165943129 354354231 /nfs/dbraw/zinc/35/42/31/354354231.db2.gz MDEDZIDAAGXFAC-UHFFFAOYSA-N 0 3 221.344 3.648 20 0 BHADHN CCC(CC)(CC)CNCc1ccco1 ZINC000165956685 361846854 /nfs/dbraw/zinc/84/68/54/361846854.db2.gz VRFQFMVMYIZCBH-UHFFFAOYSA-N 0 3 209.333 3.586 20 0 BHADHN CCC1(CNCc2cccc(Cl)c2F)CC1 ZINC000165969710 398093560 /nfs/dbraw/zinc/09/35/60/398093560.db2.gz JKEVNCAKCVYNTD-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CC1(CNCc2cccc(Cl)c2F)CCC1 ZINC000165969866 203385916 /nfs/dbraw/zinc/38/59/16/203385916.db2.gz BVAIBQSWRMDLBC-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CCCC1(CNCc2ccc(Cl)o2)CC1 ZINC000165976343 388253779 /nfs/dbraw/zinc/25/37/79/388253779.db2.gz JHRSGDHQGNIAMP-UHFFFAOYSA-N 0 3 227.735 3.603 20 0 BHADHN CCc1ccc(CNCC2(CC)CCC2)o1 ZINC000165994933 386068457 /nfs/dbraw/zinc/06/84/57/386068457.db2.gz YMQIXTFQZZZVIC-UHFFFAOYSA-N 0 3 221.344 3.512 20 0 BHADHN CCCC1(CNCc2ccc(CC)o2)CC1 ZINC000165998263 354629002 /nfs/dbraw/zinc/62/90/02/354629002.db2.gz STAIGZQCWWREAO-UHFFFAOYSA-N 0 3 221.344 3.512 20 0 BHADHN CCC1(CNCc2occc2C)CCCC1 ZINC000166002698 354665438 /nfs/dbraw/zinc/66/54/38/354665438.db2.gz MOCXJXMKIZOCPW-UHFFFAOYSA-N 0 3 221.344 3.648 20 0 BHADHN CCC1(CNCc2ccc(C)o2)CCCC1 ZINC000166003363 354678416 /nfs/dbraw/zinc/67/84/16/354678416.db2.gz LHFDZXLHCMYACH-UHFFFAOYSA-N 0 3 221.344 3.648 20 0 BHADHN CC[C@H](NCCC(C)(C)C)c1ccc(F)cn1 ZINC000166028180 203387582 /nfs/dbraw/zinc/38/75/82/203387582.db2.gz NFZSOXOKUIJJEU-LBPRGKRZSA-N 0 3 238.350 3.698 20 0 BHADHN CC[C@@H](NCCC(C)(C)C)c1ccc(F)cn1 ZINC000166028297 203387427 /nfs/dbraw/zinc/38/74/27/203387427.db2.gz NFZSOXOKUIJJEU-GFCCVEGCSA-N 0 3 238.350 3.698 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1ccc(CC)o1 ZINC000166169106 538938903 /nfs/dbraw/zinc/93/89/03/538938903.db2.gz UGVHVAAWGPETJX-MNOVXSKESA-N 0 3 209.333 3.681 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1ccc(CC)o1 ZINC000166169219 538939000 /nfs/dbraw/zinc/93/90/00/538939000.db2.gz UGVHVAAWGPETJX-QWRGUYRKSA-N 0 3 209.333 3.681 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1ccc(CC)o1 ZINC000166169337 538938882 /nfs/dbraw/zinc/93/88/82/538938882.db2.gz UGVHVAAWGPETJX-GHMZBOCLSA-N 0 3 209.333 3.681 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1ccc(CC)o1 ZINC000166169470 538939222 /nfs/dbraw/zinc/93/92/22/538939222.db2.gz UGVHVAAWGPETJX-WDEREUQCSA-N 0 3 209.333 3.681 20 0 BHADHN CCCCN[C@@H](CC)c1cc(F)ccc1F ZINC000166215607 136309424 /nfs/dbraw/zinc/30/94/24/136309424.db2.gz PCKYLVNYZIAXFW-ZDUSSCGKSA-N 0 3 227.298 3.806 20 0 BHADHN CCCCN[C@H](CC)c1cc(F)ccc1F ZINC000166215713 535295190 /nfs/dbraw/zinc/29/51/90/535295190.db2.gz PCKYLVNYZIAXFW-CYBMUJFWSA-N 0 3 227.298 3.806 20 0 BHADHN CCCCN[C@@H](C)c1cc(Cl)ccc1OC ZINC000166220760 203388507 /nfs/dbraw/zinc/38/85/07/203388507.db2.gz JTHNGKFBTIAROC-JTQLQIEISA-N 0 3 241.762 3.799 20 0 BHADHN CCCCN[C@H](C)c1cc(Cl)ccc1OC ZINC000166220883 203387387 /nfs/dbraw/zinc/38/73/87/203387387.db2.gz JTHNGKFBTIAROC-SNVBAGLBSA-N 0 3 241.762 3.799 20 0 BHADHN CCC(CC)N[C@@H](C)c1cccnc1Cl ZINC000166233689 168391159 /nfs/dbraw/zinc/39/11/59/168391159.db2.gz SFACHZWEACMEPE-VIFPVBQESA-N 0 3 226.751 3.574 20 0 BHADHN CCC(CC)N[C@H](C)c1cccnc1Cl ZINC000166233804 168392917 /nfs/dbraw/zinc/39/29/17/168392917.db2.gz SFACHZWEACMEPE-SECBINFHSA-N 0 3 226.751 3.574 20 0 BHADHN CCc1ccc([C@@H](C)NCCC(C)C)o1 ZINC000166272725 203387473 /nfs/dbraw/zinc/38/74/73/203387473.db2.gz YADTUGMMLUJISQ-LLVKDONJSA-N 0 3 209.333 3.539 20 0 BHADHN CCc1ccc([C@H](C)NCCC(C)C)o1 ZINC000166272832 203388255 /nfs/dbraw/zinc/38/82/55/203388255.db2.gz YADTUGMMLUJISQ-NSHDSACASA-N 0 3 209.333 3.539 20 0 BHADHN CC[C@@H](C)N[C@@H](CC)c1cc(F)ccc1F ZINC000166322890 535603889 /nfs/dbraw/zinc/60/38/89/535603889.db2.gz SRCVXZZPZWZUHO-RNCFNFMXSA-N 0 3 227.298 3.804 20 0 BHADHN CC[C@H](C)N[C@@H](CC)c1cc(F)ccc1F ZINC000166322993 136344818 /nfs/dbraw/zinc/34/48/18/136344818.db2.gz SRCVXZZPZWZUHO-ZANVPECISA-N 0 3 227.298 3.804 20 0 BHADHN CC[C@@H](C)N[C@H](CC)c1cc(F)ccc1F ZINC000166323104 136344913 /nfs/dbraw/zinc/34/49/13/136344913.db2.gz SRCVXZZPZWZUHO-NOZJJQNGSA-N 0 3 227.298 3.804 20 0 BHADHN CC[C@@H](N[C@@H](C)CC)c1cc(F)ccc1F ZINC000166323214 535808062 /nfs/dbraw/zinc/80/80/62/535808062.db2.gz SRCVXZZPZWZUHO-TVQRCGJNSA-N 0 3 227.298 3.804 20 0 BHADHN CC[C@H](NCCCSC)c1ccccc1F ZINC000166348580 490090490 /nfs/dbraw/zinc/09/04/90/490090490.db2.gz CTXRCCWVLUUTOO-ZDUSSCGKSA-N 0 3 241.375 3.620 20 0 BHADHN CC[C@@H](NCCCSC)c1ccccc1F ZINC000166348699 490090438 /nfs/dbraw/zinc/09/04/38/490090438.db2.gz CTXRCCWVLUUTOO-CYBMUJFWSA-N 0 3 241.375 3.620 20 0 BHADHN C[C@H](NC1CCCCC1)c1cccnc1Cl ZINC000166350953 385238680 /nfs/dbraw/zinc/23/86/80/385238680.db2.gz MRLFDWFFSGIMCU-JTQLQIEISA-N 0 3 238.762 3.718 20 0 BHADHN C[C@@H](NC1CCCCC1)c1cccnc1Cl ZINC000166351062 385239149 /nfs/dbraw/zinc/23/91/49/385239149.db2.gz MRLFDWFFSGIMCU-SNVBAGLBSA-N 0 3 238.762 3.718 20 0 BHADHN CCCC[C@@H](CCC)CN[C@@H](C)c1cnccn1 ZINC000166365081 346673614 /nfs/dbraw/zinc/67/36/14/346673614.db2.gz QFNQFLVYCLTOHD-UONOGXRCSA-N 0 3 249.402 3.734 20 0 BHADHN CCCC[C@H](CCC)CN[C@@H](C)c1cnccn1 ZINC000166365191 169000744 /nfs/dbraw/zinc/00/07/44/169000744.db2.gz QFNQFLVYCLTOHD-KBPBESRZSA-N 0 3 249.402 3.734 20 0 BHADHN CCCC[C@@H](CCC)CN[C@H](C)c1cnccn1 ZINC000166365310 346674381 /nfs/dbraw/zinc/67/43/81/346674381.db2.gz QFNQFLVYCLTOHD-ZIAGYGMSSA-N 0 3 249.402 3.734 20 0 BHADHN CCCC[C@H](CCC)CN[C@H](C)c1cnccn1 ZINC000166365422 169001464 /nfs/dbraw/zinc/00/14/64/169001464.db2.gz QFNQFLVYCLTOHD-KGLIPLIRSA-N 0 3 249.402 3.734 20 0 BHADHN CC[C@H](NCCSC)c1ccc(Cl)s1 ZINC000166366844 398002751 /nfs/dbraw/zinc/00/27/51/398002751.db2.gz AFWBJOXINKRHOG-QMMMGPOBSA-N 0 3 249.832 3.805 20 0 BHADHN CC[C@@H](NCCSC)c1ccc(Cl)s1 ZINC000166366956 361849945 /nfs/dbraw/zinc/84/99/45/361849945.db2.gz AFWBJOXINKRHOG-MRVPVSSYSA-N 0 3 249.832 3.805 20 0 BHADHN C[C@H](NCCCC1CCCC1)c1ccco1 ZINC000166529086 229172874 /nfs/dbraw/zinc/17/28/74/229172874.db2.gz JWSCTNNIUDQAQU-LBPRGKRZSA-N 0 3 221.344 3.901 20 0 BHADHN C[C@@H](NCCCC1CCCC1)c1ccco1 ZINC000166529199 385250740 /nfs/dbraw/zinc/25/07/40/385250740.db2.gz JWSCTNNIUDQAQU-GFCCVEGCSA-N 0 3 221.344 3.901 20 0 BHADHN C[C@H](NCCCC1CCCC1)c1ccoc1 ZINC000166529369 388428437 /nfs/dbraw/zinc/42/84/37/388428437.db2.gz GMLLHYNIJNHYHT-LBPRGKRZSA-N 0 3 221.344 3.901 20 0 BHADHN C[C@@H](NCCCC1CCCC1)c1ccoc1 ZINC000166529485 388428628 /nfs/dbraw/zinc/42/86/28/388428628.db2.gz GMLLHYNIJNHYHT-GFCCVEGCSA-N 0 3 221.344 3.901 20 0 BHADHN CC[C@H](NCCC(F)(F)F)c1cccc(F)c1 ZINC000166581487 355697610 /nfs/dbraw/zinc/69/76/10/355697610.db2.gz PWHQUXBZHBZKHM-NSHDSACASA-N 0 3 249.251 3.819 20 0 BHADHN CC[C@@H](NCCC(F)(F)F)c1cccc(F)c1 ZINC000166581588 355698005 /nfs/dbraw/zinc/69/80/05/355698005.db2.gz PWHQUXBZHBZKHM-LLVKDONJSA-N 0 3 249.251 3.819 20 0 BHADHN CC[C@H](N[C@@H]1CC1(C)C)c1ccccc1F ZINC000166586790 355709751 /nfs/dbraw/zinc/70/97/51/355709751.db2.gz BDJXALCXRHNKAY-QWHCGFSZSA-N 0 3 221.319 3.665 20 0 BHADHN CC[C@@H](N[C@@H]1CC1(C)C)c1ccccc1F ZINC000166586900 355709965 /nfs/dbraw/zinc/70/99/65/355709965.db2.gz BDJXALCXRHNKAY-CHWSQXEVSA-N 0 3 221.319 3.665 20 0 BHADHN CC[C@H](N[C@H]1CC1(C)C)c1ccccc1F ZINC000166587020 355709942 /nfs/dbraw/zinc/70/99/42/355709942.db2.gz BDJXALCXRHNKAY-STQMWFEESA-N 0 3 221.319 3.665 20 0 BHADHN CC[C@@H](N[C@H]1CC1(C)C)c1ccccc1F ZINC000166587144 355709446 /nfs/dbraw/zinc/70/94/46/355709446.db2.gz BDJXALCXRHNKAY-OLZOCXBDSA-N 0 3 221.319 3.665 20 0 BHADHN C[C@@H](CSC(C)(C)C)NCc1ccsc1 ZINC000166604625 388255018 /nfs/dbraw/zinc/25/50/18/388255018.db2.gz MABKQTNHJDZEAA-JTQLQIEISA-N 0 3 243.441 3.758 20 0 BHADHN C[C@H](CSC(C)(C)C)NCc1ccsc1 ZINC000166604742 388255060 /nfs/dbraw/zinc/25/50/60/388255060.db2.gz MABKQTNHJDZEAA-SNVBAGLBSA-N 0 3 243.441 3.758 20 0 BHADHN CC[C@@H](C)[C@@H](C)N[C@@H](C)c1cccnc1Cl ZINC000166846572 491081483 /nfs/dbraw/zinc/08/14/83/491081483.db2.gz FTESQUMWSVNPDZ-MXWKQRLJSA-N 0 3 240.778 3.820 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1cccnc1Cl ZINC000166846664 171366629 /nfs/dbraw/zinc/36/66/29/171366629.db2.gz FTESQUMWSVNPDZ-AXFHLTTASA-N 0 3 240.778 3.820 20 0 BHADHN CC[C@@H](C)[C@H](C)N[C@@H](C)c1cccnc1Cl ZINC000166846768 491081476 /nfs/dbraw/zinc/08/14/76/491081476.db2.gz FTESQUMWSVNPDZ-VWYCJHECSA-N 0 3 240.778 3.820 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1cccnc1Cl ZINC000166846884 171390456 /nfs/dbraw/zinc/39/04/56/171390456.db2.gz FTESQUMWSVNPDZ-DCAQKATOSA-N 0 3 240.778 3.820 20 0 BHADHN C[C@H](NCC1CCCC1)c1cccnc1Cl ZINC000166861395 385288896 /nfs/dbraw/zinc/28/88/96/385288896.db2.gz SQPMEUGIYNTAOQ-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCC1CCCC1)c1cccnc1Cl ZINC000166861500 385288778 /nfs/dbraw/zinc/28/87/78/385288778.db2.gz SQPMEUGIYNTAOQ-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN CCc1ccc([C@@H](C)NCCC(C)(C)C)o1 ZINC000166906248 385288110 /nfs/dbraw/zinc/28/81/10/385288110.db2.gz SFKPMMDJAKMCIX-LLVKDONJSA-N 0 3 223.360 3.929 20 0 BHADHN CCc1ccc([C@H](C)NCCC(C)(C)C)o1 ZINC000166906357 206140712 /nfs/dbraw/zinc/14/07/12/206140712.db2.gz SFKPMMDJAKMCIX-NSHDSACASA-N 0 3 223.360 3.929 20 0 BHADHN C[C@@H]1CCC[C@@H]1NCc1cccc(F)c1Cl ZINC000167090177 206145750 /nfs/dbraw/zinc/14/57/50/206145750.db2.gz MGJSZKDCAUTBCR-SKDRFNHKSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CCC[C@@H]1NCc1cccc(F)c1Cl ZINC000167090289 385298798 /nfs/dbraw/zinc/29/87/98/385298798.db2.gz MGJSZKDCAUTBCR-CABZTGNLSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H]1CCC[C@H]1NCc1cccc(F)c1Cl ZINC000167090387 206143457 /nfs/dbraw/zinc/14/34/57/206143457.db2.gz MGJSZKDCAUTBCR-BXKDBHETSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H]1CCC[C@H]1NCc1cccc(F)c1Cl ZINC000167090490 206144720 /nfs/dbraw/zinc/14/47/20/206144720.db2.gz MGJSZKDCAUTBCR-JOYOIKCWSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H](NCc1c(F)cccc1Cl)C1(C)CC1 ZINC000167097622 355955754 /nfs/dbraw/zinc/95/57/54/355955754.db2.gz KLYKSMYXQWVCHY-VIFPVBQESA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H](NCc1c(F)cccc1Cl)C1(C)CC1 ZINC000167097728 355955959 /nfs/dbraw/zinc/95/59/59/355955959.db2.gz KLYKSMYXQWVCHY-SECBINFHSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@H](NCc1c(F)cccc1Cl)C1CC1 ZINC000167097844 206146282 /nfs/dbraw/zinc/14/62/82/206146282.db2.gz FCMOIGFSBCDIRP-ZDUSSCGKSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@@H](NCc1c(F)cccc1Cl)C1CC1 ZINC000167097948 206143283 /nfs/dbraw/zinc/14/32/83/206143283.db2.gz FCMOIGFSBCDIRP-CYBMUJFWSA-N 0 3 241.737 3.757 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H](C)CC2CCC2)cs1 ZINC000167458140 538941634 /nfs/dbraw/zinc/94/16/34/538941634.db2.gz NCSIMWOPIRCXED-VHSXEESVSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@@H](C)CC2CCC2)cs1 ZINC000167458254 538941904 /nfs/dbraw/zinc/94/19/04/538941904.db2.gz NCSIMWOPIRCXED-UWVGGRQHSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@@H](C)N[C@H](C)CC2CCC2)cs1 ZINC000167458365 538941842 /nfs/dbraw/zinc/94/18/42/538941842.db2.gz NCSIMWOPIRCXED-NXEZZACHSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@H](C)CC2CCC2)cs1 ZINC000167458463 538941995 /nfs/dbraw/zinc/94/19/95/538941995.db2.gz NCSIMWOPIRCXED-ZJUUUORDSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1ccc(C2CC(NCc3ccoc3)C2)cc1 ZINC000167493861 206146290 /nfs/dbraw/zinc/14/62/90/206146290.db2.gz KENQPQIAAMCUCJ-UHFFFAOYSA-N 0 3 241.334 3.624 20 0 BHADHN C[C@H](CN[C@@H](C)c1ccco1)Cc1cccs1 ZINC000167502497 344087594 /nfs/dbraw/zinc/08/75/94/344087594.db2.gz YZSMFQIWQJTNSP-RYUDHWBXSA-N 0 3 249.379 3.871 20 0 BHADHN C[C@@H](CN[C@@H](C)c1ccco1)Cc1cccs1 ZINC000167502612 344087682 /nfs/dbraw/zinc/08/76/82/344087682.db2.gz YZSMFQIWQJTNSP-NEPJUHHUSA-N 0 3 249.379 3.871 20 0 BHADHN C[C@@H](NC[C@@H](C)Cc1cccs1)c1ccco1 ZINC000167502716 364795333 /nfs/dbraw/zinc/79/53/33/364795333.db2.gz YZSMFQIWQJTNSP-NWDGAFQWSA-N 0 3 249.379 3.871 20 0 BHADHN C[C@@H](CN[C@H](C)c1ccco1)Cc1cccs1 ZINC000167502823 364795583 /nfs/dbraw/zinc/79/55/83/364795583.db2.gz YZSMFQIWQJTNSP-VXGBXAGGSA-N 0 3 249.379 3.871 20 0 BHADHN CC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000167632490 488191413 /nfs/dbraw/zinc/19/14/13/488191413.db2.gz VAZQIGYERUTUGF-UHFFFAOYSA-N 0 3 229.323 3.665 20 0 BHADHN CCCC[C@@H](COC)N[C@@H](C)c1ccsc1 ZINC000167887502 206147820 /nfs/dbraw/zinc/14/78/20/206147820.db2.gz QBVQMMINJMNGMX-AAEUAGOBSA-N 0 3 241.400 3.604 20 0 BHADHN CCCC[C@H](COC)N[C@@H](C)c1ccsc1 ZINC000167887622 206146806 /nfs/dbraw/zinc/14/68/06/206146806.db2.gz QBVQMMINJMNGMX-WCQYABFASA-N 0 3 241.400 3.604 20 0 BHADHN CCCC[C@@H](COC)N[C@H](C)c1ccsc1 ZINC000167887730 206147907 /nfs/dbraw/zinc/14/79/07/206147907.db2.gz QBVQMMINJMNGMX-YPMHNXCESA-N 0 3 241.400 3.604 20 0 BHADHN CCCC[C@H](COC)N[C@H](C)c1ccsc1 ZINC000167887837 206147835 /nfs/dbraw/zinc/14/78/35/206147835.db2.gz QBVQMMINJMNGMX-DGCLKSJQSA-N 0 3 241.400 3.604 20 0 BHADHN CCCC[C@@H](CC)NCc1ncc(CC)s1 ZINC000168409804 384214856 /nfs/dbraw/zinc/21/48/56/384214856.db2.gz ZFUXCHGIQVFEQV-LLVKDONJSA-N 0 3 240.416 3.764 20 0 BHADHN CCCC[C@H](CC)NCc1ncc(CC)s1 ZINC000168409905 384213994 /nfs/dbraw/zinc/21/39/94/384213994.db2.gz ZFUXCHGIQVFEQV-NSHDSACASA-N 0 3 240.416 3.764 20 0 BHADHN c1coc(CNCCC2CCCCCC2)c1 ZINC000168416263 205503541 /nfs/dbraw/zinc/50/35/41/205503541.db2.gz DVUUPGBRYYERGD-UHFFFAOYSA-N 0 3 221.344 3.730 20 0 BHADHN C[C@@H]1C[C@@H]1CN[C@H](c1ccco1)c1ccccc1 ZINC000168431817 384219043 /nfs/dbraw/zinc/21/90/43/384219043.db2.gz OGEXRKHAXAKMFM-XPKDYRNWSA-N 0 3 241.334 3.615 20 0 BHADHN C[C@@H]1C[C@H]1CN[C@H](c1ccco1)c1ccccc1 ZINC000168432017 384219646 /nfs/dbraw/zinc/21/96/46/384219646.db2.gz OGEXRKHAXAKMFM-INWMFGNUSA-N 0 3 241.334 3.615 20 0 BHADHN CCCc1ccc([C@@H](C)NCCOC(C)C)cc1 ZINC000168876519 384345820 /nfs/dbraw/zinc/34/58/20/384345820.db2.gz SJCQXYYZKGZNJH-CQSZACIVSA-N 0 3 249.398 3.715 20 0 BHADHN CCCc1ccc([C@H](C)NCCOC(C)C)cc1 ZINC000168876611 384345452 /nfs/dbraw/zinc/34/54/52/384345452.db2.gz SJCQXYYZKGZNJH-AWEZNQCLSA-N 0 3 249.398 3.715 20 0 BHADHN CCCC(C)(C)NCc1cccc(OC)c1F ZINC000168980381 487555128 /nfs/dbraw/zinc/55/51/28/487555128.db2.gz XDLTZGJKNAYUTO-UHFFFAOYSA-N 0 3 239.334 3.503 20 0 BHADHN CCN1CCC(c2ccccc2Cl)CC1 ZINC000169039270 358014127 /nfs/dbraw/zinc/01/41/27/358014127.db2.gz NMDVNDVPNFBABP-UHFFFAOYSA-N 0 3 223.747 3.539 20 0 BHADHN C[C@@H](c1cc2ccccc2o1)N(C)CCCF ZINC000169178889 134249394 /nfs/dbraw/zinc/24/93/94/134249394.db2.gz JEPWVQUXWKRIBA-NSHDSACASA-N 0 3 235.302 3.785 20 0 BHADHN C[C@H](c1cc2ccccc2o1)N(C)CCCF ZINC000169178970 134249662 /nfs/dbraw/zinc/24/96/62/134249662.db2.gz JEPWVQUXWKRIBA-LLVKDONJSA-N 0 3 235.302 3.785 20 0 BHADHN CC1(C)CCCN1Cc1nc2ccccc2s1 ZINC000170872781 346465176 /nfs/dbraw/zinc/46/51/76/346465176.db2.gz LEPJAOKXVILQEQ-UHFFFAOYSA-N 0 3 246.379 3.671 20 0 BHADHN CC[C@@H](C)N(C)Cc1ccccc1OC(F)F ZINC000170915618 346479365 /nfs/dbraw/zinc/47/93/65/346479365.db2.gz AJGMQKSHTBZZKG-SNVBAGLBSA-N 0 3 243.297 3.518 20 0 BHADHN CC[C@H](C)N(C)Cc1ccccc1OC(F)F ZINC000170915620 346479410 /nfs/dbraw/zinc/47/94/10/346479410.db2.gz AJGMQKSHTBZZKG-JTQLQIEISA-N 0 3 243.297 3.518 20 0 BHADHN CC[C@@H](C)N(C)Cc1ccc(Cl)s1 ZINC000170916064 206005173 /nfs/dbraw/zinc/00/51/73/206005173.db2.gz YAKDGQMPAFHVBX-MRVPVSSYSA-N 0 3 217.765 3.632 20 0 BHADHN CC[C@H](C)N(C)Cc1ccc(Cl)s1 ZINC000170916065 384533001 /nfs/dbraw/zinc/53/30/01/384533001.db2.gz YAKDGQMPAFHVBX-QMMMGPOBSA-N 0 3 217.765 3.632 20 0 BHADHN CCN(Cc1nccn1C(C)C)C1CCCCC1 ZINC000170958151 346489077 /nfs/dbraw/zinc/48/90/77/346489077.db2.gz VXJJBQXYQXTUQX-UHFFFAOYSA-N 0 3 249.402 3.619 20 0 BHADHN C[C@@H](c1ccccc1)N(C)Cc1cccs1 ZINC000171024112 359530698 /nfs/dbraw/zinc/53/06/98/359530698.db2.gz NUMCBKTVEBPORI-LBPRGKRZSA-N 0 3 231.364 3.941 20 0 BHADHN C[C@H](c1ccccc1)N(C)Cc1cccs1 ZINC000171024114 359530878 /nfs/dbraw/zinc/53/08/78/359530878.db2.gz NUMCBKTVEBPORI-GFCCVEGCSA-N 0 3 231.364 3.941 20 0 BHADHN CCN(CCSC)Cc1ccc(Cl)s1 ZINC000171051415 361238601 /nfs/dbraw/zinc/23/86/01/361238601.db2.gz ITKCZTFUGVNORD-UHFFFAOYSA-N 0 3 249.832 3.586 20 0 BHADHN CCN(Cc1nc2ccccc2s1)C(C)C ZINC000171057199 346805884 /nfs/dbraw/zinc/80/58/84/346805884.db2.gz MCPMYNDXFOAIHJ-UHFFFAOYSA-N 0 3 234.368 3.527 20 0 BHADHN c1cc(CNCc2cc3ccccc3s2)co1 ZINC000171130635 365171142 /nfs/dbraw/zinc/17/11/42/365171142.db2.gz RGOXWIBMDYUQBS-UHFFFAOYSA-N 0 3 243.331 3.784 20 0 BHADHN Cc1ccccc1[C@@H](C)N(C)Cc1cccnc1 ZINC000171145490 179318210 /nfs/dbraw/zinc/31/82/10/179318210.db2.gz CPGVLHYRDJPWLC-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccccc1[C@H](C)N(C)Cc1cccnc1 ZINC000171145492 179334005 /nfs/dbraw/zinc/33/40/05/179334005.db2.gz CPGVLHYRDJPWLC-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN CC[C@@H](c1ccccc1)N(C)Cc1cccnc1 ZINC000171146419 346809137 /nfs/dbraw/zinc/80/91/37/346809137.db2.gz XKBWMMKENAIVTQ-INIZCTEOSA-N 0 3 240.350 3.665 20 0 BHADHN CC[C@H](c1ccccc1)N(C)Cc1cccnc1 ZINC000171146422 385470397 /nfs/dbraw/zinc/47/03/97/385470397.db2.gz XKBWMMKENAIVTQ-MRXNPFEDSA-N 0 3 240.350 3.665 20 0 BHADHN CN(Cc1ccc(F)c(F)c1)[C@H]1C=CCCC1 ZINC000171279078 372530468 /nfs/dbraw/zinc/53/04/68/372530468.db2.gz PRVYOIRIWINIIW-LBPRGKRZSA-N 0 3 237.293 3.505 20 0 BHADHN CN(Cc1ccc(F)c(F)c1)[C@@H]1C=CCCC1 ZINC000171279084 372530508 /nfs/dbraw/zinc/53/05/08/372530508.db2.gz PRVYOIRIWINIIW-GFCCVEGCSA-N 0 3 237.293 3.505 20 0 BHADHN C[C@@H](c1cccs1)N(C)[C@H]1C=CCCC1 ZINC000171279353 372529645 /nfs/dbraw/zinc/52/96/45/372529645.db2.gz SQVDOBGWIXJJFM-RYUDHWBXSA-N 0 3 221.369 3.850 20 0 BHADHN C[C@H](c1cccs1)N(C)[C@H]1C=CCCC1 ZINC000171279359 372530456 /nfs/dbraw/zinc/53/04/56/372530456.db2.gz SQVDOBGWIXJJFM-NEPJUHHUSA-N 0 3 221.369 3.850 20 0 BHADHN C[C@H]1CCC[C@H](C)N1Cc1nc2ccccc2o1 ZINC000171694780 134259996 /nfs/dbraw/zinc/25/99/96/134259996.db2.gz PQIXWBVBXMRQQX-RYUDHWBXSA-N 0 3 244.338 3.591 20 0 BHADHN C[C@@H]1CCC[C@@H](C)N1Cc1nc2ccccc2o1 ZINC000171694784 134260145 /nfs/dbraw/zinc/26/01/45/134260145.db2.gz PQIXWBVBXMRQQX-VXGBXAGGSA-N 0 3 244.338 3.591 20 0 BHADHN Cc1ccccc1[C@H](NCc1ccco1)C1CC1 ZINC000171843947 179344988 /nfs/dbraw/zinc/34/49/88/179344988.db2.gz NNYRXTKUXOBKCX-MRXNPFEDSA-N 0 3 241.334 3.829 20 0 BHADHN Cc1ccccc1[C@@H](NCc1ccco1)C1CC1 ZINC000171843952 179326550 /nfs/dbraw/zinc/32/65/50/179326550.db2.gz NNYRXTKUXOBKCX-INIZCTEOSA-N 0 3 241.334 3.829 20 0 BHADHN Cc1ccccc1[C@H](NCc1ccoc1)C1CC1 ZINC000171843982 641015597 /nfs/dbraw/zinc/01/55/97/641015597.db2.gz CPSHJJIOYAMHMD-MRXNPFEDSA-N 0 3 241.334 3.829 20 0 BHADHN Cc1ccccc1[C@@H](NCc1ccoc1)C1CC1 ZINC000171843984 641014861 /nfs/dbraw/zinc/01/48/61/641014861.db2.gz CPSHJJIOYAMHMD-INIZCTEOSA-N 0 3 241.334 3.829 20 0 BHADHN Cc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1 ZINC000171912074 385531276 /nfs/dbraw/zinc/53/12/76/385531276.db2.gz VYQSWUDFHFAQEO-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccc(CN(C)[C@H](C)c2ccncc2)cc1 ZINC000171912075 385530867 /nfs/dbraw/zinc/53/08/67/385530867.db2.gz VYQSWUDFHFAQEO-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN CC[C@@H](C)CN(C)Cc1nc2ccccc2s1 ZINC000171952529 365261518 /nfs/dbraw/zinc/26/15/18/365261518.db2.gz JAWWNKNCSPULBC-LLVKDONJSA-N 0 3 248.395 3.774 20 0 BHADHN CC[C@H](C)CN(C)Cc1nc2ccccc2s1 ZINC000171952532 365260718 /nfs/dbraw/zinc/26/07/18/365260718.db2.gz JAWWNKNCSPULBC-NSHDSACASA-N 0 3 248.395 3.774 20 0 BHADHN CN(Cc1ccc(Cl)s1)CC1CCC1 ZINC000171971279 365264255 /nfs/dbraw/zinc/26/42/55/365264255.db2.gz BFDOUBXXZUKKCR-UHFFFAOYSA-N 0 3 229.776 3.633 20 0 BHADHN CN(Cc1nc2ccccc2s1)CC1CCC1 ZINC000171972080 385536863 /nfs/dbraw/zinc/53/68/63/385536863.db2.gz ZNYOMMQBUKJXHW-UHFFFAOYSA-N 0 3 246.379 3.528 20 0 BHADHN Cc1cc(CN2CCCC3(CCCCC3)C2)on1 ZINC000171978865 134264095 /nfs/dbraw/zinc/26/40/95/134264095.db2.gz MSPPJXFHATWYBO-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN CCN(Cc1nc2ccccc2s1)CC1CC1 ZINC000171995625 346846468 /nfs/dbraw/zinc/84/64/68/346846468.db2.gz UFXSSXJBPXWOOW-UHFFFAOYSA-N 0 3 246.379 3.528 20 0 BHADHN CC(C)n1ccc(CN(C)C2CCCCCC2)n1 ZINC000172011169 365268896 /nfs/dbraw/zinc/26/88/96/365268896.db2.gz CVPALXLFHIXGIW-UHFFFAOYSA-N 0 3 249.402 3.619 20 0 BHADHN CCN(Cc1ccn(C(C)C)n1)C1CCCCC1 ZINC000172011705 365269115 /nfs/dbraw/zinc/26/91/15/365269115.db2.gz ZJTGASWLMDIUSS-UHFFFAOYSA-N 0 3 249.402 3.619 20 0 BHADHN CC(C)N(Cc1ccn(C(C)C)n1)C1CCCC1 ZINC000172013575 384940091 /nfs/dbraw/zinc/94/00/91/384940091.db2.gz KLIBNWUMMMZWQJ-UHFFFAOYSA-N 0 3 249.402 3.617 20 0 BHADHN C[C@@H](CCc1cccc(F)c1)NCc1ccco1 ZINC000172038525 365280175 /nfs/dbraw/zinc/28/01/75/365280175.db2.gz BHGPICJTONXTTB-LBPRGKRZSA-N 0 3 247.313 3.530 20 0 BHADHN C[C@H](CCc1cccc(F)c1)NCc1ccco1 ZINC000172038530 365280323 /nfs/dbraw/zinc/28/03/23/365280323.db2.gz BHGPICJTONXTTB-GFCCVEGCSA-N 0 3 247.313 3.530 20 0 BHADHN C[C@@H](CCc1cccc(F)c1)NCc1ccoc1 ZINC000172038536 365280442 /nfs/dbraw/zinc/28/04/42/365280442.db2.gz PFRVYWRLCWPIIW-LBPRGKRZSA-N 0 3 247.313 3.530 20 0 BHADHN C[C@H](CCc1cccc(F)c1)NCc1ccoc1 ZINC000172038543 365279382 /nfs/dbraw/zinc/27/93/82/365279382.db2.gz PFRVYWRLCWPIIW-GFCCVEGCSA-N 0 3 247.313 3.530 20 0 BHADHN CCN(Cc1nc2ccccc2s1)CC(C)C ZINC000172170477 134262456 /nfs/dbraw/zinc/26/24/56/134262456.db2.gz ISOLZGCURQEFEY-UHFFFAOYSA-N 0 3 248.395 3.774 20 0 BHADHN CCSCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC000172383801 385529782 /nfs/dbraw/zinc/52/97/82/385529782.db2.gz VPAONIMKXMWQCH-NSHDSACASA-N 0 3 241.375 3.572 20 0 BHADHN CCSCCN(C)[C@H](C)c1ccc(F)cc1 ZINC000172383806 385529866 /nfs/dbraw/zinc/52/98/66/385529866.db2.gz VPAONIMKXMWQCH-LLVKDONJSA-N 0 3 241.375 3.572 20 0 BHADHN CCN(Cc1ccc(Cl)s1)C1CCC1 ZINC000172549014 365341588 /nfs/dbraw/zinc/34/15/88/365341588.db2.gz GUAUBWKYCNIVIR-UHFFFAOYSA-N 0 3 229.776 3.776 20 0 BHADHN CC[C@@H]1CCCCCN1Cc1ccn(C(C)C)n1 ZINC000172643096 323031199 /nfs/dbraw/zinc/03/11/99/323031199.db2.gz ULKNSSOREZIPHC-OAHLLOKOSA-N 0 3 249.402 3.619 20 0 BHADHN CC[C@H]1CCCCCN1Cc1ccn(C(C)C)n1 ZINC000172643100 323031255 /nfs/dbraw/zinc/03/12/55/323031255.db2.gz ULKNSSOREZIPHC-HNNXBMFYSA-N 0 3 249.402 3.619 20 0 BHADHN CC[C@@H]1CCCCCN1Cc1nccn1C(C)C ZINC000172644104 323031214 /nfs/dbraw/zinc/03/12/14/323031214.db2.gz SSYQRBWYDLHNJH-CQSZACIVSA-N 0 3 249.402 3.619 20 0 BHADHN CC[C@H]1CCCCCN1Cc1nccn1C(C)C ZINC000172644109 323031164 /nfs/dbraw/zinc/03/11/64/323031164.db2.gz SSYQRBWYDLHNJH-AWEZNQCLSA-N 0 3 249.402 3.619 20 0 BHADHN CCN(Cc1cccnc1Cl)[C@@H](C)C(C)C ZINC000172810693 641115540 /nfs/dbraw/zinc/11/55/40/641115540.db2.gz YADVGLCIKXXSSO-NSHDSACASA-N 0 3 240.778 3.601 20 0 BHADHN CCN(Cc1cccnc1Cl)[C@H](C)C(C)C ZINC000172810698 641116011 /nfs/dbraw/zinc/11/60/11/641116011.db2.gz YADVGLCIKXXSSO-LLVKDONJSA-N 0 3 240.778 3.601 20 0 BHADHN Cc1cc(N2CCC[C@@H]2C)c2ccccc2n1 ZINC000172811430 134269921 /nfs/dbraw/zinc/26/99/21/134269921.db2.gz HNHDTHHYAYOTOD-LBPRGKRZSA-N 0 3 226.323 3.532 20 0 BHADHN Cc1cc(N2CCC[C@H]2C)c2ccccc2n1 ZINC000172811436 134269994 /nfs/dbraw/zinc/26/99/94/134269994.db2.gz HNHDTHHYAYOTOD-GFCCVEGCSA-N 0 3 226.323 3.532 20 0 BHADHN Cc1cccnc1[C@H](N[C@H]1C=CCCC1)C(C)C ZINC000172817162 179399686 /nfs/dbraw/zinc/39/96/86/179399686.db2.gz QANZQVIWTLOKSC-LSDHHAIUSA-N 0 3 244.382 3.785 20 0 BHADHN Cc1cccnc1[C@@H](N[C@H]1C=CCCC1)C(C)C ZINC000172817166 179397712 /nfs/dbraw/zinc/39/77/12/179397712.db2.gz QANZQVIWTLOKSC-GJZGRUSLSA-N 0 3 244.382 3.785 20 0 BHADHN Cc1cccnc1[C@H](N[C@@H]1C=CCCC1)C(C)C ZINC000172817169 179399290 /nfs/dbraw/zinc/39/92/90/179399290.db2.gz QANZQVIWTLOKSC-HUUCEWRRSA-N 0 3 244.382 3.785 20 0 BHADHN Cc1cccnc1[C@@H](N[C@@H]1C=CCCC1)C(C)C ZINC000172817177 179398403 /nfs/dbraw/zinc/39/84/03/179398403.db2.gz QANZQVIWTLOKSC-CABCVRRESA-N 0 3 244.382 3.785 20 0 BHADHN CC[C@@H]1CCCCN1Cc1nc(C)c(C)s1 ZINC000173172215 385545322 /nfs/dbraw/zinc/54/53/22/385545322.db2.gz NCRPUHLVVOBQDL-GFCCVEGCSA-N 0 3 238.400 3.524 20 0 BHADHN CC[C@H]1CCCCN1Cc1nc(C)c(C)s1 ZINC000173172226 385544673 /nfs/dbraw/zinc/54/46/73/385544673.db2.gz NCRPUHLVVOBQDL-LBPRGKRZSA-N 0 3 238.400 3.524 20 0 BHADHN Cc1csc(CN(CC(C)C)CC(C)C)n1 ZINC000173191918 534804388 /nfs/dbraw/zinc/80/43/88/534804388.db2.gz XKRKBGLCZSUHLY-UHFFFAOYSA-N 0 3 240.416 3.566 20 0 BHADHN Cc1csc(CN(C(C)C)C2CCCC2)n1 ZINC000173210058 385545013 /nfs/dbraw/zinc/54/50/13/385545013.db2.gz ZVEBREQTOSQKRD-UHFFFAOYSA-N 0 3 238.400 3.605 20 0 BHADHN Cc1cnc(CN(C(C)C)C2CCCCC2)o1 ZINC000173280084 229344769 /nfs/dbraw/zinc/34/47/69/229344769.db2.gz DNLUVQSTQJYZHS-UHFFFAOYSA-N 0 3 236.359 3.526 20 0 BHADHN CC(C)(NCCC1CCCC1)c1nccs1 ZINC000173419935 384218712 /nfs/dbraw/zinc/21/87/12/384218712.db2.gz ZONRZXPNRLTGGW-UHFFFAOYSA-N 0 3 238.400 3.548 20 0 BHADHN Cc1csc(C(C)(C)NCCC(C)(C)C)n1 ZINC000173425818 384219255 /nfs/dbraw/zinc/21/92/55/384219255.db2.gz UUFIVJMCKCRPOZ-UHFFFAOYSA-N 0 3 240.416 3.712 20 0 BHADHN CCCCCCNC(C)(C)c1nc(C)cs1 ZINC000173425882 641174489 /nfs/dbraw/zinc/17/44/89/641174489.db2.gz RMFYCAHJZBZOFR-UHFFFAOYSA-N 0 3 240.416 3.857 20 0 BHADHN CN(CCC1CC1)Cc1ccc(Cl)s1 ZINC000173455824 384686531 /nfs/dbraw/zinc/68/65/31/384686531.db2.gz RKLDYJFGCWHHAC-UHFFFAOYSA-N 0 3 229.776 3.633 20 0 BHADHN CC[C@](C)(NCCC(C)(C)C)c1nccs1 ZINC000173498182 384228378 /nfs/dbraw/zinc/22/83/78/384228378.db2.gz ZUOMCRZEAWGNAP-ZDUSSCGKSA-N 0 3 240.416 3.794 20 0 BHADHN CC[C@@](C)(NCCC(C)(C)C)c1nccs1 ZINC000173498194 384227881 /nfs/dbraw/zinc/22/78/81/384227881.db2.gz ZUOMCRZEAWGNAP-CYBMUJFWSA-N 0 3 240.416 3.794 20 0 BHADHN CC[C@](C)(NCC1CCCC1)c1nccs1 ZINC000173507257 384231891 /nfs/dbraw/zinc/23/18/91/384231891.db2.gz KJAJZYKELAOEPH-ZDUSSCGKSA-N 0 3 238.400 3.548 20 0 BHADHN CC[C@@](C)(NCC1CCCC1)c1nccs1 ZINC000173507272 384230965 /nfs/dbraw/zinc/23/09/65/384230965.db2.gz KJAJZYKELAOEPH-CYBMUJFWSA-N 0 3 238.400 3.548 20 0 BHADHN C[C@@H](c1ccccc1F)N(C)CCC1CC1 ZINC000173543538 384237578 /nfs/dbraw/zinc/23/75/78/384237578.db2.gz RFLGGPFGDXFBDU-NSHDSACASA-N 0 3 221.319 3.619 20 0 BHADHN C[C@H](c1ccccc1F)N(C)CCC1CC1 ZINC000173543552 384238018 /nfs/dbraw/zinc/23/80/18/384238018.db2.gz RFLGGPFGDXFBDU-LLVKDONJSA-N 0 3 221.319 3.619 20 0 BHADHN CC(C)CN(Cc1ccncc1Cl)C(C)C ZINC000173573499 387899544 /nfs/dbraw/zinc/89/95/44/387899544.db2.gz CENKUDSHZUQHSI-UHFFFAOYSA-N 0 3 240.778 3.601 20 0 BHADHN Cc1cnc(CN(CC2CC2)C2CCCCC2)o1 ZINC000173636693 384241013 /nfs/dbraw/zinc/24/10/13/384241013.db2.gz MJOUBHWEZSKLME-UHFFFAOYSA-N 0 3 248.370 3.528 20 0 BHADHN CCCCN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000173794158 384721199 /nfs/dbraw/zinc/72/11/99/384721199.db2.gz GMOSKAOMYMYGCY-LBPRGKRZSA-N 0 3 244.338 3.792 20 0 BHADHN CCCCN[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000173794169 384721153 /nfs/dbraw/zinc/72/11/53/384721153.db2.gz GMOSKAOMYMYGCY-GFCCVEGCSA-N 0 3 244.338 3.792 20 0 BHADHN CC(C)CN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000173796735 167012087 /nfs/dbraw/zinc/01/20/87/167012087.db2.gz UOQKQYXCSHKWAD-LBPRGKRZSA-N 0 3 244.338 3.648 20 0 BHADHN CC(C)CN[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000173796745 167013980 /nfs/dbraw/zinc/01/39/80/167013980.db2.gz UOQKQYXCSHKWAD-GFCCVEGCSA-N 0 3 244.338 3.648 20 0 BHADHN Cc1nc(C(C)(C)NCCC(C)C)sc1C ZINC000173953402 384291703 /nfs/dbraw/zinc/29/17/03/384291703.db2.gz SEQPTFBEGGAMPM-UHFFFAOYSA-N 0 3 240.416 3.631 20 0 BHADHN Cc1ccc(CNC[C@@H](C)Cc2cccs2)o1 ZINC000174534318 365496130 /nfs/dbraw/zinc/49/61/30/365496130.db2.gz CGAVIIPWGXRIJA-NSHDSACASA-N 0 3 249.379 3.618 20 0 BHADHN Cc1ccc(CNC[C@H](C)Cc2cccs2)o1 ZINC000174534333 365495749 /nfs/dbraw/zinc/49/57/49/365495749.db2.gz CGAVIIPWGXRIJA-LLVKDONJSA-N 0 3 249.379 3.618 20 0 BHADHN CCN(Cc1ccncc1Cl)[C@@H](C)C(C)C ZINC000174863734 528861450 /nfs/dbraw/zinc/86/14/50/528861450.db2.gz CRADDNIKMDDMFO-NSHDSACASA-N 0 3 240.778 3.601 20 0 BHADHN CCN(Cc1ccncc1Cl)[C@H](C)C(C)C ZINC000174863746 528862022 /nfs/dbraw/zinc/86/20/22/528862022.db2.gz CRADDNIKMDDMFO-LLVKDONJSA-N 0 3 240.778 3.601 20 0 BHADHN CC(C)CCNC1(c2nccs2)CCCC1 ZINC000175015922 384386106 /nfs/dbraw/zinc/38/61/06/384386106.db2.gz IWJGYCMHBRVJQX-UHFFFAOYSA-N 0 3 238.400 3.548 20 0 BHADHN CCCCNC1(c2nc(C)cs2)CCCC1 ZINC000175018505 384384091 /nfs/dbraw/zinc/38/40/91/384384091.db2.gz HLEWPKAXTSMFEY-UHFFFAOYSA-N 0 3 238.400 3.611 20 0 BHADHN CC(C)=CCN1CCCC[C@@H]1c1cccn1C ZINC000175133096 365532669 /nfs/dbraw/zinc/53/26/69/365532669.db2.gz JYLYRXOSAKILKQ-OAHLLOKOSA-N 0 3 232.371 3.518 20 0 BHADHN CC(C)=CCN1CCCC[C@H]1c1cccn1C ZINC000175133118 365531952 /nfs/dbraw/zinc/53/19/52/365531952.db2.gz JYLYRXOSAKILKQ-HNNXBMFYSA-N 0 3 232.371 3.518 20 0 BHADHN CSCCCN(C)Cc1cc2ccccc2o1 ZINC000175178085 134286001 /nfs/dbraw/zinc/28/60/01/134286001.db2.gz QOHGDTZQOIDKGM-UHFFFAOYSA-N 0 3 249.379 3.618 20 0 BHADHN CCSCCN(C)Cc1cc2ccccc2o1 ZINC000175187432 365536346 /nfs/dbraw/zinc/53/63/46/365536346.db2.gz HYGUNXYXAVTMLZ-UHFFFAOYSA-N 0 3 249.379 3.618 20 0 BHADHN CCN(Cc1cnc(Cl)s1)[C@@H](C)C(C)C ZINC000175445269 346897069 /nfs/dbraw/zinc/89/70/69/346897069.db2.gz OKLZUJGZIGJPHI-VIFPVBQESA-N 0 3 246.807 3.663 20 0 BHADHN CCN(Cc1cnc(Cl)s1)[C@H](C)C(C)C ZINC000175445291 346897099 /nfs/dbraw/zinc/89/70/99/346897099.db2.gz OKLZUJGZIGJPHI-SECBINFHSA-N 0 3 246.807 3.663 20 0 BHADHN C[C@@H](c1ccco1)N(C1CC1)[C@H]1C=CCCC1 ZINC000175684238 384477748 /nfs/dbraw/zinc/47/77/48/384477748.db2.gz UHGCWNOKRITRHV-STQMWFEESA-N 0 3 231.339 3.914 20 0 BHADHN C[C@H](c1ccco1)N(C1CC1)[C@H]1C=CCCC1 ZINC000175684258 384477140 /nfs/dbraw/zinc/47/71/40/384477140.db2.gz UHGCWNOKRITRHV-OLZOCXBDSA-N 0 3 231.339 3.914 20 0 BHADHN c1cc(CN[C@@H](c2ccccc2)C2CCC2)c[nH]1 ZINC000175706620 384947635 /nfs/dbraw/zinc/94/76/35/384947635.db2.gz UPMQBKVTFQCMFV-INIZCTEOSA-N 0 3 240.350 3.646 20 0 BHADHN c1cc(CN[C@H](c2ccccc2)C2CCC2)c[nH]1 ZINC000175706639 384946589 /nfs/dbraw/zinc/94/65/89/384946589.db2.gz UPMQBKVTFQCMFV-MRXNPFEDSA-N 0 3 240.350 3.646 20 0 BHADHN Cc1ccccc1[C@H](NCc1cc[nH]c1)C(C)C ZINC000175709560 365579769 /nfs/dbraw/zinc/57/97/69/365579769.db2.gz BGWWPGLSIBHJRD-MRXNPFEDSA-N 0 3 242.366 3.810 20 0 BHADHN Cc1ccccc1[C@@H](NCc1cc[nH]c1)C(C)C ZINC000175709576 365580232 /nfs/dbraw/zinc/58/02/32/365580232.db2.gz BGWWPGLSIBHJRD-INIZCTEOSA-N 0 3 242.366 3.810 20 0 BHADHN CCCN(CCC)Cc1cc(-c2ccco2)on1 ZINC000175872507 585029193 /nfs/dbraw/zinc/02/91/93/585029193.db2.gz OQILYMAZRMRYPU-UHFFFAOYSA-N 0 3 248.326 3.557 20 0 BHADHN CC[C@@H]1CCN(Cc2nc3ccccc3s2)C1 ZINC000176239361 384581470 /nfs/dbraw/zinc/58/14/70/384581470.db2.gz RRIFRAZOVFJANB-LLVKDONJSA-N 0 3 246.379 3.528 20 0 BHADHN CC[C@H]1CCN(Cc2nc3ccccc3s2)C1 ZINC000176239378 385047306 /nfs/dbraw/zinc/04/73/06/385047306.db2.gz RRIFRAZOVFJANB-NSHDSACASA-N 0 3 246.379 3.528 20 0 BHADHN Clc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)s1 ZINC000176280112 365705689 /nfs/dbraw/zinc/70/56/89/365705689.db2.gz OYZZHCZOPBIWNP-AOOOYVTPSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1ccc(CN2C[C@H]3CCC[C@@H]3C2)s1 ZINC000176280133 365706038 /nfs/dbraw/zinc/70/60/38/365706038.db2.gz OYZZHCZOPBIWNP-NXEZZACHSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1ccc(CN2C[C@@H]3CCC[C@H]3C2)s1 ZINC000176280151 365705508 /nfs/dbraw/zinc/70/55/08/365705508.db2.gz OYZZHCZOPBIWNP-UWVGGRQHSA-N 0 3 241.787 3.633 20 0 BHADHN Cc1nc(CN(CC(C)C)C(C)C)sc1C ZINC000176332112 385065561 /nfs/dbraw/zinc/06/55/61/385065561.db2.gz OKPJUSUJIXJGJI-UHFFFAOYSA-N 0 3 240.416 3.626 20 0 BHADHN CC[C@@H](C)CN(CC)Cc1nc(C)c(C)s1 ZINC000176388758 384620563 /nfs/dbraw/zinc/62/05/63/384620563.db2.gz CLBVBWCRZKKAQO-SNVBAGLBSA-N 0 3 240.416 3.628 20 0 BHADHN CC[C@H](C)CN(CC)Cc1nc(C)c(C)s1 ZINC000176388774 384620126 /nfs/dbraw/zinc/62/01/26/384620126.db2.gz CLBVBWCRZKKAQO-JTQLQIEISA-N 0 3 240.416 3.628 20 0 BHADHN Clc1ccc(CN2CCC3(CCC3)C2)s1 ZINC000176925868 134294969 /nfs/dbraw/zinc/29/49/69/134294969.db2.gz FLRSJJFVNSYDRL-UHFFFAOYSA-N 0 3 241.787 3.778 20 0 BHADHN Cc1cccc(CN(C)[C@@H](C)c2ccccn2)c1 ZINC000177042390 179069707 /nfs/dbraw/zinc/06/97/07/179069707.db2.gz ZYYICDHRKNUDAW-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cccc(CN(C)[C@H](C)c2ccccn2)c1 ZINC000177042404 179069159 /nfs/dbraw/zinc/06/91/59/179069159.db2.gz ZYYICDHRKNUDAW-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN CCC(CC)N(Cc1cscn1)CC(C)C ZINC000177064731 365962408 /nfs/dbraw/zinc/96/24/08/365962408.db2.gz JBHHLTGKFDKPIN-UHFFFAOYSA-N 0 3 240.416 3.790 20 0 BHADHN CCN1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000177094387 384867378 /nfs/dbraw/zinc/86/73/78/384867378.db2.gz GZLYQFUXHWXEII-UHFFFAOYSA-N 0 3 240.350 3.585 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1nc2ccccc2s1 ZINC000177100286 388475640 /nfs/dbraw/zinc/47/56/40/388475640.db2.gz NFCMQOBITCDDKU-PHIMTYICSA-N 0 3 246.379 3.669 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1nc2ccccc2s1 ZINC000177100298 388475804 /nfs/dbraw/zinc/47/58/04/388475804.db2.gz NFCMQOBITCDDKU-QWRGUYRKSA-N 0 3 246.379 3.669 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1nc2ccccc2s1 ZINC000177100316 388475797 /nfs/dbraw/zinc/47/57/97/388475797.db2.gz NFCMQOBITCDDKU-GHMZBOCLSA-N 0 3 246.379 3.669 20 0 BHADHN CCCCCNC1(c2nccs2)CCCC1 ZINC000177166377 384882016 /nfs/dbraw/zinc/88/20/16/384882016.db2.gz PPSOCSVSMZPASU-UHFFFAOYSA-N 0 3 238.400 3.692 20 0 BHADHN FC(F)(F)CCN(CC1CC1)[C@H]1C=CCCC1 ZINC000177169624 323077142 /nfs/dbraw/zinc/07/71/42/323077142.db2.gz CDWSACMPWICUMM-LBPRGKRZSA-N 0 3 247.304 3.760 20 0 BHADHN FC(F)(F)CCN(CC1CC1)[C@@H]1C=CCCC1 ZINC000177169638 323077126 /nfs/dbraw/zinc/07/71/26/323077126.db2.gz CDWSACMPWICUMM-GFCCVEGCSA-N 0 3 247.304 3.760 20 0 BHADHN C[C@@H](c1ccccn1)N1CCC(C(C)(C)C)CC1 ZINC000177188409 365985390 /nfs/dbraw/zinc/98/53/90/365985390.db2.gz SPSGOACBYLEGHC-ZDUSSCGKSA-N 0 3 246.398 3.901 20 0 BHADHN C[C@H](c1ccccn1)N1CCC(C(C)(C)C)CC1 ZINC000177188423 365985461 /nfs/dbraw/zinc/98/54/61/365985461.db2.gz SPSGOACBYLEGHC-CYBMUJFWSA-N 0 3 246.398 3.901 20 0 BHADHN C[C@H](N(C)Cc1ccc(F)c(F)c1)C1(C)CC1 ZINC000177214658 134296016 /nfs/dbraw/zinc/29/60/16/134296016.db2.gz OMDLKPQRJSEUTN-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H](N(C)Cc1ccc(F)c(F)c1)C1(C)CC1 ZINC000177214675 134296179 /nfs/dbraw/zinc/29/61/79/134296179.db2.gz OMDLKPQRJSEUTN-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN Cc1ccccc1CN(C)[C@@H](C)c1ccccn1 ZINC000177229764 179269351 /nfs/dbraw/zinc/26/93/51/179269351.db2.gz FZKTUEQBSWKPEZ-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccccc1CN(C)[C@H](C)c1ccccn1 ZINC000177229778 179270137 /nfs/dbraw/zinc/27/01/37/179270137.db2.gz FZKTUEQBSWKPEZ-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN C[C@H](N(C)Cc1cccc(F)c1F)C1(C)CC1 ZINC000177251960 134296712 /nfs/dbraw/zinc/29/67/12/134296712.db2.gz RTACNCWPZBHNQS-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H](N(C)Cc1cccc(F)c1F)C1(C)CC1 ZINC000177251972 134296594 /nfs/dbraw/zinc/29/65/94/134296594.db2.gz RTACNCWPZBHNQS-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)C1CCN([C@@H](C)c2ccccn2)CC1 ZINC000177309522 385219222 /nfs/dbraw/zinc/21/92/22/385219222.db2.gz HWQJMJQSDPWQLO-ZDUSSCGKSA-N 0 3 232.371 3.511 20 0 BHADHN CC(C)C1CCN([C@H](C)c2ccccn2)CC1 ZINC000177309539 385219579 /nfs/dbraw/zinc/21/95/79/385219579.db2.gz HWQJMJQSDPWQLO-CYBMUJFWSA-N 0 3 232.371 3.511 20 0 BHADHN CC[C@H](N[C@@H](C)C1CC1)c1cc(F)ccc1F ZINC000177363740 134297555 /nfs/dbraw/zinc/29/75/55/134297555.db2.gz MMANUDNHNWSYFY-XPTSAGLGSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H](N[C@@H](C)C1CC1)c1cc(F)ccc1F ZINC000177363756 535807915 /nfs/dbraw/zinc/80/79/15/535807915.db2.gz MMANUDNHNWSYFY-LKFCYVNXSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](N[C@H](C)C1CC1)c1cc(F)ccc1F ZINC000177363777 134297760 /nfs/dbraw/zinc/29/77/60/134297760.db2.gz MMANUDNHNWSYFY-OTYXRUKQSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H](N[C@H](C)C1CC1)c1cc(F)ccc1F ZINC000177363793 134297800 /nfs/dbraw/zinc/29/78/00/134297800.db2.gz MMANUDNHNWSYFY-YMTOWFKASA-N 0 3 239.309 3.804 20 0 BHADHN CCCC(CCC)N[C@@H](COC)c1ccco1 ZINC000177396767 365998656 /nfs/dbraw/zinc/99/86/56/365998656.db2.gz CEQSUZYKJGKGNF-ZDUSSCGKSA-N 0 3 239.359 3.526 20 0 BHADHN CCCC(CCC)N[C@H](COC)c1ccco1 ZINC000177396783 365999075 /nfs/dbraw/zinc/99/90/75/365999075.db2.gz CEQSUZYKJGKGNF-CYBMUJFWSA-N 0 3 239.359 3.526 20 0 BHADHN C[C@@H](NCc1ccco1)[C@@H](C)c1ccccc1 ZINC000177582432 176022883 /nfs/dbraw/zinc/02/28/83/176022883.db2.gz FZFQVCQGGIBJPD-CHWSQXEVSA-N 0 3 229.323 3.561 20 0 BHADHN C[C@@H](NCc1ccco1)[C@H](C)c1ccccc1 ZINC000177582446 385262988 /nfs/dbraw/zinc/26/29/88/385262988.db2.gz FZFQVCQGGIBJPD-QWHCGFSZSA-N 0 3 229.323 3.561 20 0 BHADHN C[C@H](NCc1ccco1)[C@@H](C)c1ccccc1 ZINC000177582457 385263701 /nfs/dbraw/zinc/26/37/01/385263701.db2.gz FZFQVCQGGIBJPD-OLZOCXBDSA-N 0 3 229.323 3.561 20 0 BHADHN C[C@H](c1ccccc1)[C@H](C)NCc1ccco1 ZINC000177582467 385262423 /nfs/dbraw/zinc/26/24/23/385262423.db2.gz FZFQVCQGGIBJPD-STQMWFEESA-N 0 3 229.323 3.561 20 0 BHADHN CCCCCCN(C)Cc1ccc(Cl)nc1 ZINC000177623785 643454185 /nfs/dbraw/zinc/45/41/85/643454185.db2.gz CDOPADLGTDCTRF-UHFFFAOYSA-N 0 3 240.778 3.747 20 0 BHADHN CCc1ccc([C@@H](C)NCCc2ccsc2)o1 ZINC000177728068 134905428 /nfs/dbraw/zinc/90/54/28/134905428.db2.gz QWBAHINQMXBCCI-LLVKDONJSA-N 0 3 249.379 3.797 20 0 BHADHN CCc1ccc([C@H](C)NCCc2ccsc2)o1 ZINC000177728082 134300122 /nfs/dbraw/zinc/30/01/22/134300122.db2.gz QWBAHINQMXBCCI-NSHDSACASA-N 0 3 249.379 3.797 20 0 BHADHN Cl/C=C(\Cl)CN1CCC[C@@H]2CCC[C@H]21 ZINC000177769147 643657461 /nfs/dbraw/zinc/65/74/61/643657461.db2.gz ZKZFIWLRXQWWIP-HLLGUJQBSA-N 0 3 234.170 3.570 20 0 BHADHN C[C@H](NCC1(c2ccccc2)CC1)c1ccoc1 ZINC000177789931 366063511 /nfs/dbraw/zinc/06/35/11/366063511.db2.gz XDANTEDDZPQFQL-ZDUSSCGKSA-N 0 3 241.334 3.662 20 0 BHADHN C[C@@H](NCC1(c2ccccc2)CC1)c1ccoc1 ZINC000177789946 366063690 /nfs/dbraw/zinc/06/36/90/366063690.db2.gz XDANTEDDZPQFQL-CYBMUJFWSA-N 0 3 241.334 3.662 20 0 BHADHN CC[C@H](N[C@@H](C)C1CCC1)c1nc(C)cs1 ZINC000177852553 385127816 /nfs/dbraw/zinc/12/78/16/385127816.db2.gz HHJRIKRHMSRZRY-JQWIXIFHSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H](N[C@@H](C)C1CCC1)c1nc(C)cs1 ZINC000177852563 385127401 /nfs/dbraw/zinc/12/74/01/385127401.db2.gz HHJRIKRHMSRZRY-CMPLNLGQSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@H](N[C@H](C)C1CCC1)c1nc(C)cs1 ZINC000177852575 385127643 /nfs/dbraw/zinc/12/76/43/385127643.db2.gz HHJRIKRHMSRZRY-PWSUYJOCSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H](N[C@H](C)C1CCC1)c1nc(C)cs1 ZINC000177852581 385125329 /nfs/dbraw/zinc/12/53/29/385125329.db2.gz HHJRIKRHMSRZRY-ZYHUDNBSSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H](C)CN(CC)Cc1nc2ccccc2o1 ZINC000177857081 388492492 /nfs/dbraw/zinc/49/24/92/388492492.db2.gz KOIVNCLLUHUYRU-GFCCVEGCSA-N 0 3 246.354 3.696 20 0 BHADHN CC[C@H](C)CN(CC)Cc1nc2ccccc2o1 ZINC000177857092 388492561 /nfs/dbraw/zinc/49/25/61/388492561.db2.gz KOIVNCLLUHUYRU-LBPRGKRZSA-N 0 3 246.354 3.696 20 0 BHADHN CC[C@@H](C)CN(CC)Cc1ccncc1Cl ZINC000177857356 535509156 /nfs/dbraw/zinc/50/91/56/535509156.db2.gz GQBVGJZRSAWGJW-LLVKDONJSA-N 0 3 240.778 3.603 20 0 BHADHN CC[C@H](C)CN(CC)Cc1ccncc1Cl ZINC000177857367 134303216 /nfs/dbraw/zinc/30/32/16/134303216.db2.gz GQBVGJZRSAWGJW-NSHDSACASA-N 0 3 240.778 3.603 20 0 BHADHN CCC(CC)N(Cc1cc(C)on1)CC(C)C ZINC000177864847 388492669 /nfs/dbraw/zinc/49/26/69/388492669.db2.gz CGUDNQMHRCKQBO-UHFFFAOYSA-N 0 3 238.375 3.630 20 0 BHADHN CCC(CC)N(Cc1ncc(C)o1)CC(C)C ZINC000177866207 134303459 /nfs/dbraw/zinc/30/34/59/134303459.db2.gz SKJCVSMQIYXOEG-UHFFFAOYSA-N 0 3 238.375 3.630 20 0 BHADHN C[C@@H]1CCN(Cc2nc3ccccc3s2)[C@@H]1C ZINC000177891991 134303801 /nfs/dbraw/zinc/30/38/01/134303801.db2.gz ULQIGZZNBLDDKH-GHMZBOCLSA-N 0 3 246.379 3.527 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1nc2ccccc2s1 ZINC000177892002 134303868 /nfs/dbraw/zinc/30/38/68/134303868.db2.gz ULQIGZZNBLDDKH-WDEREUQCSA-N 0 3 246.379 3.527 20 0 BHADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1cscn1 ZINC000177935490 134302126 /nfs/dbraw/zinc/30/21/26/134302126.db2.gz AFQQVAKXURWFQQ-YPMHNXCESA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@H](C)[C@@H]1CCCN1Cc1cscn1 ZINC000177935505 535656229 /nfs/dbraw/zinc/65/62/29/535656229.db2.gz AFQQVAKXURWFQQ-AAEUAGOBSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@@H](C)[C@H]1CCCN1Cc1cscn1 ZINC000177935519 136274239 /nfs/dbraw/zinc/27/42/39/136274239.db2.gz AFQQVAKXURWFQQ-DGCLKSJQSA-N 0 3 238.400 3.544 20 0 BHADHN CCC[C@H](C)[C@H]1CCCN1Cc1cscn1 ZINC000177935533 535658803 /nfs/dbraw/zinc/65/88/03/535658803.db2.gz AFQQVAKXURWFQQ-WCQYABFASA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)CN(Cc1cscn1)CC(C)(C)C ZINC000177994894 366074828 /nfs/dbraw/zinc/07/48/28/366074828.db2.gz NEJBSSQTECGHBP-UHFFFAOYSA-N 0 3 240.416 3.647 20 0 BHADHN C[C@H](NCCCc1cccc(F)c1)c1ccoc1 ZINC000178048291 366080448 /nfs/dbraw/zinc/08/04/48/366080448.db2.gz GZQNSBPAJFTUME-LBPRGKRZSA-N 0 3 247.313 3.702 20 0 BHADHN C[C@@H](NCCCc1cccc(F)c1)c1ccoc1 ZINC000178048299 366080916 /nfs/dbraw/zinc/08/09/16/366080916.db2.gz GZQNSBPAJFTUME-GFCCVEGCSA-N 0 3 247.313 3.702 20 0 BHADHN CCc1nc([C@@H](C)N[C@@H](C)C2CCC2)cs1 ZINC000178097621 206006771 /nfs/dbraw/zinc/00/67/71/206006771.db2.gz ICGXESZNDNTNCZ-VHSXEESVSA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@H](C)N[C@@H](C)C2CCC2)cs1 ZINC000178097632 385180451 /nfs/dbraw/zinc/18/04/51/385180451.db2.gz ICGXESZNDNTNCZ-UWVGGRQHSA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@@H](C)N[C@H](C)C2CCC2)cs1 ZINC000178097641 385181263 /nfs/dbraw/zinc/18/12/63/385181263.db2.gz ICGXESZNDNTNCZ-NXEZZACHSA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@H](C)N[C@H](C)C2CCC2)cs1 ZINC000178097651 385181761 /nfs/dbraw/zinc/18/17/61/385181761.db2.gz ICGXESZNDNTNCZ-ZJUUUORDSA-N 0 3 238.400 3.545 20 0 BHADHN C[C@H](NCCc1ccccc1Cl)c1ccoc1 ZINC000178142992 344649290 /nfs/dbraw/zinc/64/92/90/344649290.db2.gz DHYRKKGIKJNUGK-NSHDSACASA-N 0 3 249.741 3.826 20 0 BHADHN C[C@@H](NCCc1ccccc1Cl)c1ccoc1 ZINC000178143002 366099668 /nfs/dbraw/zinc/09/96/68/366099668.db2.gz DHYRKKGIKJNUGK-LLVKDONJSA-N 0 3 249.741 3.826 20 0 BHADHN CC1(C)C[C@H](NCc2cc[nH]c2)c2ccccc21 ZINC000178172469 346948900 /nfs/dbraw/zinc/94/89/00/346948900.db2.gz MGVMCSGFNQZOHW-HNNXBMFYSA-N 0 3 240.350 3.527 20 0 BHADHN CC1(C)C[C@@H](NCc2cc[nH]c2)c2ccccc21 ZINC000178172480 346948739 /nfs/dbraw/zinc/94/87/39/346948739.db2.gz MGVMCSGFNQZOHW-OAHLLOKOSA-N 0 3 240.350 3.527 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2ccoc2)c(C)c1 ZINC000178222292 366106261 /nfs/dbraw/zinc/10/62/61/366106261.db2.gz MMGCOTAXGLQROA-ZDUSSCGKSA-N 0 3 229.323 3.747 20 0 BHADHN Cc1ccc(CN[C@H](C)c2ccoc2)c(C)c1 ZINC000178222306 366106708 /nfs/dbraw/zinc/10/67/08/366106708.db2.gz MMGCOTAXGLQROA-CYBMUJFWSA-N 0 3 229.323 3.747 20 0 BHADHN CCc1oc2ccccc2c1CN(C)CCCF ZINC000178247009 134305262 /nfs/dbraw/zinc/30/52/62/134305262.db2.gz XXTXDJGGJUUDFR-UHFFFAOYSA-N 0 3 249.329 3.787 20 0 BHADHN CCN(CCCF)Cc1ccc(Cl)s1 ZINC000178256679 134305176 /nfs/dbraw/zinc/30/51/76/134305176.db2.gz UZOPBWIQGXTZJF-UHFFFAOYSA-N 0 3 235.755 3.583 20 0 BHADHN C[C@H](NCCc1cccc(Cl)c1)c1ccoc1 ZINC000178262389 366109493 /nfs/dbraw/zinc/10/94/93/366109493.db2.gz JLTASCVGBKESAI-NSHDSACASA-N 0 3 249.741 3.826 20 0 BHADHN C[C@@H](NCCc1cccc(Cl)c1)c1ccoc1 ZINC000178262406 346950766 /nfs/dbraw/zinc/95/07/66/346950766.db2.gz JLTASCVGBKESAI-LLVKDONJSA-N 0 3 249.741 3.826 20 0 BHADHN FCCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000178267579 388497090 /nfs/dbraw/zinc/49/70/90/388497090.db2.gz ZQMRKIAPBADRGP-ZDUSSCGKSA-N 0 3 241.737 3.837 20 0 BHADHN FCCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000178267591 388497474 /nfs/dbraw/zinc/49/74/74/388497474.db2.gz ZQMRKIAPBADRGP-CYBMUJFWSA-N 0 3 241.737 3.837 20 0 BHADHN CC(C)c1ccc(CN(C)CCCF)cc1 ZINC000178287331 388498286 /nfs/dbraw/zinc/49/82/86/388498286.db2.gz AYMSCFAJHCLCQR-UHFFFAOYSA-N 0 3 223.335 3.601 20 0 BHADHN CCN(CC=C(C)C)[C@@H](C)c1cccc(O)c1 ZINC000178372753 366117471 /nfs/dbraw/zinc/11/74/71/366117471.db2.gz KZOUGAZQPHDPQG-ZDUSSCGKSA-N 0 3 233.355 3.741 20 0 BHADHN CCN(CC=C(C)C)[C@H](C)c1cccc(O)c1 ZINC000178372769 366118179 /nfs/dbraw/zinc/11/81/79/366118179.db2.gz KZOUGAZQPHDPQG-CYBMUJFWSA-N 0 3 233.355 3.741 20 0 BHADHN CC[N@@H+](CC1CCC1)[C@@H](C)c1cccc([O-])c1 ZINC000178380423 388499888 /nfs/dbraw/zinc/49/98/88/388499888.db2.gz RMTKVMUABRIXMH-LBPRGKRZSA-N 0 3 233.355 3.575 20 0 BHADHN CC[N@H+](CC1CCC1)[C@@H](C)c1cccc([O-])c1 ZINC000178380423 388499886 /nfs/dbraw/zinc/49/98/86/388499886.db2.gz RMTKVMUABRIXMH-LBPRGKRZSA-N 0 3 233.355 3.575 20 0 BHADHN CC[N@@H+](CC1CCC1)[C@H](C)c1cccc([O-])c1 ZINC000178380445 388499482 /nfs/dbraw/zinc/49/94/82/388499482.db2.gz RMTKVMUABRIXMH-GFCCVEGCSA-N 0 3 233.355 3.575 20 0 BHADHN CC[N@H+](CC1CCC1)[C@H](C)c1cccc([O-])c1 ZINC000178380445 388499479 /nfs/dbraw/zinc/49/94/79/388499479.db2.gz RMTKVMUABRIXMH-GFCCVEGCSA-N 0 3 233.355 3.575 20 0 BHADHN C[C@@H](Cc1ccccc1F)N[C@@H](C)c1ccoc1 ZINC000178469071 366128507 /nfs/dbraw/zinc/12/85/07/366128507.db2.gz PREOZZIFKKJZKW-RYUDHWBXSA-N 0 3 247.313 3.701 20 0 BHADHN C[C@H](Cc1ccccc1F)N[C@@H](C)c1ccoc1 ZINC000178469082 366128698 /nfs/dbraw/zinc/12/86/98/366128698.db2.gz PREOZZIFKKJZKW-NEPJUHHUSA-N 0 3 247.313 3.701 20 0 BHADHN C[C@@H](N[C@@H](C)Cc1ccccc1F)c1ccoc1 ZINC000178469088 366128728 /nfs/dbraw/zinc/12/87/28/366128728.db2.gz PREOZZIFKKJZKW-NWDGAFQWSA-N 0 3 247.313 3.701 20 0 BHADHN C[C@H](Cc1ccccc1F)N[C@H](C)c1ccoc1 ZINC000178469098 366129428 /nfs/dbraw/zinc/12/94/28/366129428.db2.gz PREOZZIFKKJZKW-VXGBXAGGSA-N 0 3 247.313 3.701 20 0 BHADHN C[C@@H](CCc1ccccc1F)NCc1ccoc1 ZINC000178475531 388500834 /nfs/dbraw/zinc/50/08/34/388500834.db2.gz VJGPFROMXQSTBL-LBPRGKRZSA-N 0 3 247.313 3.530 20 0 BHADHN C[C@H](CCc1ccccc1F)NCc1ccoc1 ZINC000178475544 388500286 /nfs/dbraw/zinc/50/02/86/388500286.db2.gz VJGPFROMXQSTBL-GFCCVEGCSA-N 0 3 247.313 3.530 20 0 BHADHN CC1(C)C[C@H](NCc2ccoc2)c2ccccc21 ZINC000178476163 346956168 /nfs/dbraw/zinc/95/61/68/346956168.db2.gz IEBSGPOJHJCVEM-HNNXBMFYSA-N 0 3 241.334 3.792 20 0 BHADHN CC1(C)C[C@@H](NCc2ccoc2)c2ccccc21 ZINC000178476171 346956375 /nfs/dbraw/zinc/95/63/75/346956375.db2.gz IEBSGPOJHJCVEM-OAHLLOKOSA-N 0 3 241.334 3.792 20 0 BHADHN C[C@H](NC/C=C/c1ccccc1)c1ccoc1 ZINC000178505135 366131251 /nfs/dbraw/zinc/13/12/51/366131251.db2.gz DCHRJLQPQWTWII-LJLILKBBSA-N 0 3 227.307 3.644 20 0 BHADHN C[C@@H](NC/C=C/c1ccccc1)c1ccoc1 ZINC000178505148 346957262 /nfs/dbraw/zinc/95/72/62/346957262.db2.gz DCHRJLQPQWTWII-OQHXTRMZSA-N 0 3 227.307 3.644 20 0 BHADHN CC(C)c1csc(CN[C@@H](C)C2CCC2)n1 ZINC000178520951 205637731 /nfs/dbraw/zinc/63/77/31/205637731.db2.gz ZJMAUACDDLHJJB-JTQLQIEISA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1csc(CN[C@H](C)C2CCC2)n1 ZINC000178520961 385293727 /nfs/dbraw/zinc/29/37/27/385293727.db2.gz ZJMAUACDDLHJJB-SNVBAGLBSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)N(Cc1cscn1)C1CCCCC1 ZINC000178670618 388503681 /nfs/dbraw/zinc/50/36/81/388503681.db2.gz TUARHXMWRAALJW-UHFFFAOYSA-N 0 3 238.400 3.686 20 0 BHADHN Cc1cccc([C@@H]2CCCN2[C@H]2C=CCCC2)n1 ZINC000178673303 134312997 /nfs/dbraw/zinc/31/29/97/134312997.db2.gz JWCBZRHUSOPZLY-HOCLYGCPSA-N 0 3 242.366 3.636 20 0 BHADHN Cc1cccc([C@H]2CCCN2[C@H]2C=CCCC2)n1 ZINC000178673318 134312932 /nfs/dbraw/zinc/31/29/32/134312932.db2.gz JWCBZRHUSOPZLY-GOEBONIOSA-N 0 3 242.366 3.636 20 0 BHADHN CCc1ccc([C@@H](C)NCC(C)(C)C)o1 ZINC000178678890 219866481 /nfs/dbraw/zinc/86/64/81/219866481.db2.gz ARQYIMIEARMTCL-SNVBAGLBSA-N 0 3 209.333 3.539 20 0 BHADHN CCc1ccc([C@H](C)NCC(C)(C)C)o1 ZINC000178678903 385316301 /nfs/dbraw/zinc/31/63/01/385316301.db2.gz ARQYIMIEARMTCL-JTQLQIEISA-N 0 3 209.333 3.539 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccsc1)c1ccncc1 ZINC000178762711 385417867 /nfs/dbraw/zinc/41/78/67/385417867.db2.gz ANIMGTBURZYQMA-FZMZJTMJSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccsc1)c1ccncc1 ZINC000178762723 346965001 /nfs/dbraw/zinc/96/50/01/346965001.db2.gz ANIMGTBURZYQMA-SMDDNHRTSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@H](N[C@H](C)c1ccsc1)c1ccncc1 ZINC000178762737 385417668 /nfs/dbraw/zinc/41/76/68/385417668.db2.gz ANIMGTBURZYQMA-RISCZKNCSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccsc1)c1ccncc1 ZINC000178762752 346965347 /nfs/dbraw/zinc/96/53/47/346965347.db2.gz ANIMGTBURZYQMA-BXUZGUMPSA-N 0 3 246.379 3.945 20 0 BHADHN CCC(C)(C)[C@@H]1CCCN1Cc1cscn1 ZINC000178906574 134313258 /nfs/dbraw/zinc/31/32/58/134313258.db2.gz JAIWGRNNLCAORL-LBPRGKRZSA-N 0 3 238.400 3.544 20 0 BHADHN CCC(C)(C)[C@H]1CCCN1Cc1cscn1 ZINC000178906586 134313187 /nfs/dbraw/zinc/31/31/87/134313187.db2.gz JAIWGRNNLCAORL-GFCCVEGCSA-N 0 3 238.400 3.544 20 0 BHADHN Cc1ccc2c(c1)[C@H](NCc1ccoc1)CCC2 ZINC000178952598 385429477 /nfs/dbraw/zinc/42/94/77/385429477.db2.gz PPCDPTNUSMAWDH-MRXNPFEDSA-N 0 3 241.334 3.755 20 0 BHADHN Cc1ccc2c(c1)[C@@H](NCc1ccoc1)CCC2 ZINC000178952608 385429716 /nfs/dbraw/zinc/42/97/16/385429716.db2.gz PPCDPTNUSMAWDH-INIZCTEOSA-N 0 3 241.334 3.755 20 0 BHADHN CN(Cc1ccc(-c2ccccc2)o1)C1CC1 ZINC000179303872 386633418 /nfs/dbraw/zinc/63/34/18/386633418.db2.gz HRDPBEKCYRCXLK-UHFFFAOYSA-N 0 3 227.307 3.541 20 0 BHADHN CN(Cc1ccc(-c2ccc(F)cc2)o1)C1CC1 ZINC000179305886 386634110 /nfs/dbraw/zinc/63/41/10/386634110.db2.gz FNPLITUHEBZEFW-UHFFFAOYSA-N 0 3 245.297 3.680 20 0 BHADHN CC[C@H](C)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000179324110 386639031 /nfs/dbraw/zinc/63/90/31/386639031.db2.gz CAUPHKOMHCUNGN-GMXVVIOVSA-N 0 3 221.344 3.633 20 0 BHADHN Cc1cccc2c1[C@H](C)C[C@@H]2NCc1ccoc1 ZINC000179405300 179223760 /nfs/dbraw/zinc/22/37/60/179223760.db2.gz DYJLCVNHSXLLRU-DOMZBBRYSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ccoc1 ZINC000179405308 179223160 /nfs/dbraw/zinc/22/31/60/179223160.db2.gz DYJLCVNHSXLLRU-WFASDCNBSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1cccc2c1[C@H](C)C[C@H]2NCc1ccoc1 ZINC000179405320 179223980 /nfs/dbraw/zinc/22/39/80/179223980.db2.gz DYJLCVNHSXLLRU-IUODEOHRSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ccoc1 ZINC000179405331 179221998 /nfs/dbraw/zinc/22/19/98/179221998.db2.gz DYJLCVNHSXLLRU-SWLSCSKDSA-N 0 3 241.334 3.926 20 0 BHADHN C[C@H](NCCCC1CCCC1)c1ccccn1 ZINC000179461030 385468161 /nfs/dbraw/zinc/46/81/61/385468161.db2.gz HPZRPOVYJRZXRS-ZDUSSCGKSA-N 0 3 232.371 3.703 20 0 BHADHN C[C@@H](NCCCC1CCCC1)c1ccccn1 ZINC000179461038 385466723 /nfs/dbraw/zinc/46/67/23/385466723.db2.gz HPZRPOVYJRZXRS-CYBMUJFWSA-N 0 3 232.371 3.703 20 0 BHADHN CCC[C@@H]1CCCCN1Cc1nc(C)cs1 ZINC000179519735 535410140 /nfs/dbraw/zinc/41/01/40/535410140.db2.gz XPGUFRKJETVTEO-GFCCVEGCSA-N 0 3 238.400 3.606 20 0 BHADHN CCC[C@H]1CCCCN1Cc1nc(C)cs1 ZINC000179519748 134321532 /nfs/dbraw/zinc/32/15/32/134321532.db2.gz XPGUFRKJETVTEO-LBPRGKRZSA-N 0 3 238.400 3.606 20 0 BHADHN CCC[C@@H]1CCCCN1Cc1cnc(C)s1 ZINC000179519809 535410324 /nfs/dbraw/zinc/41/03/24/535410324.db2.gz UBFRNHFBCSYOKX-GFCCVEGCSA-N 0 3 238.400 3.606 20 0 BHADHN CCC[C@H]1CCCCN1Cc1cnc(C)s1 ZINC000179519815 134321535 /nfs/dbraw/zinc/32/15/35/134321535.db2.gz UBFRNHFBCSYOKX-LBPRGKRZSA-N 0 3 238.400 3.606 20 0 BHADHN Cc1cccc(C(C)(C)NC/C=C/Cl)c1 ZINC000179596484 642728279 /nfs/dbraw/zinc/72/82/79/642728279.db2.gz AAQNDQYOTGWNPE-VMPITWQZSA-N 0 3 223.747 3.572 20 0 BHADHN Cc1ncccc1CN(C)[C@@H](C)c1ccccc1 ZINC000179702128 384336216 /nfs/dbraw/zinc/33/62/16/384336216.db2.gz SEXNMHJHODXXJF-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ncccc1CN(C)[C@H](C)c1ccccc1 ZINC000179702142 384335776 /nfs/dbraw/zinc/33/57/76/384335776.db2.gz SEXNMHJHODXXJF-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN Fc1cccc(C2(N[C@H]3C=CCCC3)CC2)c1 ZINC000179704169 366288857 /nfs/dbraw/zinc/28/88/57/366288857.db2.gz JCJJBKDBBLXAEG-AWEZNQCLSA-N 0 3 231.314 3.513 20 0 BHADHN Fc1cccc(C2(N[C@@H]3C=CCCC3)CC2)c1 ZINC000179704186 344707378 /nfs/dbraw/zinc/70/73/78/344707378.db2.gz JCJJBKDBBLXAEG-CQSZACIVSA-N 0 3 231.314 3.513 20 0 BHADHN CC[C@H](NCC=C(C)C)c1ccccc1OC ZINC000179731274 205651984 /nfs/dbraw/zinc/65/19/84/205651984.db2.gz PSPPUQRXSZBUGX-AWEZNQCLSA-N 0 3 233.355 3.702 20 0 BHADHN CC[C@@H](NCC=C(C)C)c1ccccc1OC ZINC000179731285 385381270 /nfs/dbraw/zinc/38/12/70/385381270.db2.gz PSPPUQRXSZBUGX-CQSZACIVSA-N 0 3 233.355 3.702 20 0 BHADHN Cc1ncccc1CN1CCC(C(C)(C)C)CC1 ZINC000179766883 134323867 /nfs/dbraw/zinc/32/38/67/134323867.db2.gz ZPOAXKXZUYOHDY-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CC(C)n1cc(CN(C)C2CCCCCC2)cn1 ZINC000179793906 384355927 /nfs/dbraw/zinc/35/59/27/384355927.db2.gz UTBJETSPSGFYHV-UHFFFAOYSA-N 0 3 249.402 3.619 20 0 BHADHN Cc1ccc(CN(C)[C@@H]2CCc3ccccc32)o1 ZINC000179906497 384389448 /nfs/dbraw/zinc/38/94/48/384389448.db2.gz YRVYPSJFJUERMO-MRXNPFEDSA-N 0 3 241.334 3.707 20 0 BHADHN Cc1ccc(CN(C)[C@H]2CCc3ccccc32)o1 ZINC000179906513 259305959 /nfs/dbraw/zinc/30/59/59/259305959.db2.gz YRVYPSJFJUERMO-INIZCTEOSA-N 0 3 241.334 3.707 20 0 BHADHN CC(C)CC[C@H](NCc1ccon1)C(C)(C)C ZINC000179907718 398246032 /nfs/dbraw/zinc/24/60/32/398246032.db2.gz VOHFWRGSAWTTBD-ZDUSSCGKSA-N 0 3 238.375 3.615 20 0 BHADHN CC(C)CC[C@@H](NCc1ccon1)C(C)(C)C ZINC000179907737 398246119 /nfs/dbraw/zinc/24/61/19/398246119.db2.gz VOHFWRGSAWTTBD-CYBMUJFWSA-N 0 3 238.375 3.615 20 0 BHADHN CN(Cc1ccsc1)[C@@H]1CCc2ccccc21 ZINC000179909098 259305760 /nfs/dbraw/zinc/30/57/60/259305760.db2.gz NRNBZYSVKKSYPI-OAHLLOKOSA-N 0 3 243.375 3.867 20 0 BHADHN CN(Cc1ccsc1)[C@H]1CCc2ccccc21 ZINC000179909118 259305978 /nfs/dbraw/zinc/30/59/78/259305978.db2.gz NRNBZYSVKKSYPI-HNNXBMFYSA-N 0 3 243.375 3.867 20 0 BHADHN CCN(C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000179949391 259305904 /nfs/dbraw/zinc/30/59/04/259305904.db2.gz CPOVKTUSVXYTFI-UHFFFAOYSA-N 0 3 233.286 3.537 20 0 BHADHN Cc1ccc2c(c1)[C@H](NCc1ccoc1)[C@H](C)C2 ZINC000180200075 385514424 /nfs/dbraw/zinc/51/44/24/385514424.db2.gz ZNRCQRREFWIEQZ-MLGOLLRUSA-N 0 3 241.334 3.611 20 0 BHADHN Cc1ccc2c(c1)[C@@H](NCc1ccoc1)[C@H](C)C2 ZINC000180200093 385513818 /nfs/dbraw/zinc/51/38/18/385513818.db2.gz ZNRCQRREFWIEQZ-WBMJQRKESA-N 0 3 241.334 3.611 20 0 BHADHN Cc1ccc2c(c1)[C@H](NCc1ccoc1)[C@@H](C)C2 ZINC000180200105 385513204 /nfs/dbraw/zinc/51/32/04/385513204.db2.gz ZNRCQRREFWIEQZ-BLLLJJGKSA-N 0 3 241.334 3.611 20 0 BHADHN Cc1ccc2c(c1)[C@@H](NCc1ccoc1)[C@@H](C)C2 ZINC000180200123 385513558 /nfs/dbraw/zinc/51/35/58/385513558.db2.gz ZNRCQRREFWIEQZ-LRDDRELGSA-N 0 3 241.334 3.611 20 0 BHADHN CCCCN(CCCC)Cc1ncc(C)s1 ZINC000180411709 347026836 /nfs/dbraw/zinc/02/68/36/347026836.db2.gz XPYZUQKCHONTOU-UHFFFAOYSA-N 0 3 240.416 3.854 20 0 BHADHN Cc1cnc(CN(C)C2CCCCCC2)s1 ZINC000180412137 134327070 /nfs/dbraw/zinc/32/70/70/134327070.db2.gz MEKXIHGUDYYKCA-UHFFFAOYSA-N 0 3 238.400 3.606 20 0 BHADHN Cc1cnc(CN(CC(C)C)CC(C)C)s1 ZINC000180427888 134327045 /nfs/dbraw/zinc/32/70/45/134327045.db2.gz WEMRDYKAGCTIQV-UHFFFAOYSA-N 0 3 240.416 3.566 20 0 BHADHN CCC(CC)CN(CC)Cc1ncc(C)s1 ZINC000180431925 347028606 /nfs/dbraw/zinc/02/86/06/347028606.db2.gz RVKLOGSSUFHKLK-UHFFFAOYSA-N 0 3 240.416 3.710 20 0 BHADHN CCN(Cc1ncc(C)s1)C1CCCCC1 ZINC000180433498 347028391 /nfs/dbraw/zinc/02/83/91/347028391.db2.gz NXPBAVYBMZCOGI-UHFFFAOYSA-N 0 3 238.400 3.606 20 0 BHADHN CC(C)N(Cc1cccc(F)c1F)C(C)C ZINC000180453531 535097053 /nfs/dbraw/zinc/09/70/53/535097053.db2.gz ZFUUZKMFGHWIPZ-UHFFFAOYSA-N 0 3 227.298 3.584 20 0 BHADHN Cc1cnc(CNC(C)(C)CC(C)(C)C)s1 ZINC000180469422 385391781 /nfs/dbraw/zinc/39/17/81/385391781.db2.gz UILDGYZHKISXQA-UHFFFAOYSA-N 0 3 240.416 3.756 20 0 BHADHN Cc1cccnc1CN1CCC(C(C)(C)C)CC1 ZINC000180498121 366484861 /nfs/dbraw/zinc/48/48/61/366484861.db2.gz OWUVKKVJDZMKRR-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CC[C@@H]1CCCCCN1Cc1ncc(C)s1 ZINC000180505535 134329723 /nfs/dbraw/zinc/32/97/23/134329723.db2.gz JMMQJZQVMWQMCW-GFCCVEGCSA-N 0 3 238.400 3.606 20 0 BHADHN CC[C@H]1CCCCCN1Cc1ncc(C)s1 ZINC000180505557 134329607 /nfs/dbraw/zinc/32/96/07/134329607.db2.gz JMMQJZQVMWQMCW-LBPRGKRZSA-N 0 3 238.400 3.606 20 0 BHADHN Cc1cnc(CN(C(C)C)C2CCCC2)s1 ZINC000180577409 711889368 /nfs/dbraw/zinc/88/93/68/711889368.db2.gz QNHPYINKQSSLCA-UHFFFAOYSA-N 0 3 238.400 3.605 20 0 BHADHN CCC(CC)(CC)NCc1ncc(C)s1 ZINC000180594694 168316972 /nfs/dbraw/zinc/31/69/72/168316972.db2.gz UAMKZDGLJQRBDK-UHFFFAOYSA-N 0 3 226.389 3.510 20 0 BHADHN CCOc1cccc([C@@H](C)NCC=C(C)C)c1 ZINC000180715536 366536495 /nfs/dbraw/zinc/53/64/95/366536495.db2.gz RFNBOVIDBYJLNN-CYBMUJFWSA-N 0 3 233.355 3.702 20 0 BHADHN CCOc1cccc([C@H](C)NCC=C(C)C)c1 ZINC000180715549 366537683 /nfs/dbraw/zinc/53/76/83/366537683.db2.gz RFNBOVIDBYJLNN-ZDUSSCGKSA-N 0 3 233.355 3.702 20 0 BHADHN CC(C)NCc1ccc(Oc2ccccc2)o1 ZINC000180757202 134331321 /nfs/dbraw/zinc/33/13/21/134331321.db2.gz FMZQJNZYQBKYTK-UHFFFAOYSA-N 0 3 231.295 3.570 20 0 BHADHN c1cc(Oc2ccccc2)oc1CNCC1CC1 ZINC000180788919 256521432 /nfs/dbraw/zinc/52/14/32/256521432.db2.gz GTWSLCLCBCBMDM-UHFFFAOYSA-N 0 3 243.306 3.572 20 0 BHADHN c1ccc(CN(CCC2CCCC2)C2CC2)nc1 ZINC000180865993 134331596 /nfs/dbraw/zinc/33/15/96/134331596.db2.gz RPLKRARMZFYZSW-UHFFFAOYSA-N 0 3 244.382 3.626 20 0 BHADHN CCCCN(C)[C@@H](C)c1nc2ccccc2o1 ZINC000180896428 385554269 /nfs/dbraw/zinc/55/42/69/385554269.db2.gz WABWNADJTAFHBI-NSHDSACASA-N 0 3 232.327 3.621 20 0 BHADHN CCCCN(C)[C@H](C)c1nc2ccccc2o1 ZINC000180896447 385554544 /nfs/dbraw/zinc/55/45/44/385554544.db2.gz WABWNADJTAFHBI-LLVKDONJSA-N 0 3 232.327 3.621 20 0 BHADHN C[C@@H](c1nc2ccccc2o1)N1CCC[C@@H](C)C1 ZINC000180938281 176038990 /nfs/dbraw/zinc/03/89/90/176038990.db2.gz DOQVCEGFXVGXKH-NEPJUHHUSA-N 0 3 244.338 3.621 20 0 BHADHN C[C@@H](c1nc2ccccc2o1)N1CCC[C@H](C)C1 ZINC000180938301 177104030 /nfs/dbraw/zinc/10/40/30/177104030.db2.gz DOQVCEGFXVGXKH-RYUDHWBXSA-N 0 3 244.338 3.621 20 0 BHADHN C[C@@H](c1nc2ccccc2o1)N1CCC(C)CC1 ZINC000180939608 168186337 /nfs/dbraw/zinc/18/63/37/168186337.db2.gz JFQMLZNEKINAJJ-LBPRGKRZSA-N 0 3 244.338 3.621 20 0 BHADHN C[C@H](c1nc2ccccc2o1)N1CCC(C)CC1 ZINC000180939626 168186544 /nfs/dbraw/zinc/18/65/44/168186544.db2.gz JFQMLZNEKINAJJ-GFCCVEGCSA-N 0 3 244.338 3.621 20 0 BHADHN C[C@@H](c1nc2ccccc2o1)N1CCCCCC1 ZINC000180952836 176039734 /nfs/dbraw/zinc/03/97/34/176039734.db2.gz AMAFSULQMFPDGQ-LBPRGKRZSA-N 0 3 244.338 3.765 20 0 BHADHN C[C@H](c1nc2ccccc2o1)N1CCCCCC1 ZINC000180952854 177054545 /nfs/dbraw/zinc/05/45/45/177054545.db2.gz AMAFSULQMFPDGQ-GFCCVEGCSA-N 0 3 244.338 3.765 20 0 BHADHN CCN(CC(C)C)[C@@H](C)c1nc2ccccc2o1 ZINC000180967852 259346138 /nfs/dbraw/zinc/34/61/38/259346138.db2.gz FBFOKKJJUGMCPQ-LBPRGKRZSA-N 0 3 246.354 3.867 20 0 BHADHN CCN(CC(C)C)[C@H](C)c1nc2ccccc2o1 ZINC000180967872 259346183 /nfs/dbraw/zinc/34/61/83/259346183.db2.gz FBFOKKJJUGMCPQ-GFCCVEGCSA-N 0 3 246.354 3.867 20 0 BHADHN CC(C)CCN(C)[C@@H](C)c1nc2ccccc2o1 ZINC000180983130 538959498 /nfs/dbraw/zinc/95/94/98/538959498.db2.gz VREODYDVMYCQKD-LBPRGKRZSA-N 0 3 246.354 3.867 20 0 BHADHN CC(C)CCN(C)[C@H](C)c1nc2ccccc2o1 ZINC000180983152 538959586 /nfs/dbraw/zinc/95/95/86/538959586.db2.gz VREODYDVMYCQKD-GFCCVEGCSA-N 0 3 246.354 3.867 20 0 BHADHN FCCCNCc1ccc(Oc2ccccc2)o1 ZINC000181009302 366781403 /nfs/dbraw/zinc/78/14/03/366781403.db2.gz KZZURJOIHOAVKR-UHFFFAOYSA-N 0 3 249.285 3.521 20 0 BHADHN CC[C@@H](C)CN(C)[C@@H](C)c1nc2ccccc2o1 ZINC000181106497 384442665 /nfs/dbraw/zinc/44/26/65/384442665.db2.gz RBEBQXBCGNZBGS-NEPJUHHUSA-N 0 3 246.354 3.867 20 0 BHADHN CC[C@H](C)CN(C)[C@@H](C)c1nc2ccccc2o1 ZINC000181106517 384443601 /nfs/dbraw/zinc/44/36/01/384443601.db2.gz RBEBQXBCGNZBGS-RYUDHWBXSA-N 0 3 246.354 3.867 20 0 BHADHN C[C@@H](c1nc2ccccc2o1)N(C)CC1CCC1 ZINC000181107292 134333620 /nfs/dbraw/zinc/33/36/20/134333620.db2.gz NLVKMNPXRFQOPS-NSHDSACASA-N 0 3 244.338 3.621 20 0 BHADHN C[C@H](c1nc2ccccc2o1)N(C)CC1CCC1 ZINC000181107309 134333699 /nfs/dbraw/zinc/33/36/99/134333699.db2.gz NLVKMNPXRFQOPS-LLVKDONJSA-N 0 3 244.338 3.621 20 0 BHADHN CCN(CC1CC1)[C@@H](C)c1nc2ccccc2o1 ZINC000181108172 385563702 /nfs/dbraw/zinc/56/37/02/385563702.db2.gz OTMCBEVXCFQPOJ-NSHDSACASA-N 0 3 244.338 3.621 20 0 BHADHN CCN(CC1CC1)[C@H](C)c1nc2ccccc2o1 ZINC000181108189 385563763 /nfs/dbraw/zinc/56/37/63/385563763.db2.gz OTMCBEVXCFQPOJ-LLVKDONJSA-N 0 3 244.338 3.621 20 0 BHADHN C[C@@H](c1nc2ccccc2o1)N1CCC(C)(C)C1 ZINC000181125638 176039221 /nfs/dbraw/zinc/03/92/21/176039221.db2.gz COPXUGZJLATJDG-NSHDSACASA-N 0 3 244.338 3.621 20 0 BHADHN C[C@H](c1nc2ccccc2o1)N1CCC(C)(C)C1 ZINC000181125650 177054008 /nfs/dbraw/zinc/05/40/08/177054008.db2.gz COPXUGZJLATJDG-LLVKDONJSA-N 0 3 244.338 3.621 20 0 BHADHN C[C@@H](c1nc2ccccc2o1)N1CC[C@@H](C)[C@H]1C ZINC000181134657 176039428 /nfs/dbraw/zinc/03/94/28/176039428.db2.gz LHLVNMCHWQRGND-UTUOFQBUSA-N 0 3 244.338 3.619 20 0 BHADHN C[C@@H](c1nc2ccccc2o1)N1CC[C@H](C)[C@H]1C ZINC000181134675 177170066 /nfs/dbraw/zinc/17/00/66/177170066.db2.gz LHLVNMCHWQRGND-TUAOUCFPSA-N 0 3 244.338 3.619 20 0 BHADHN CC[C@@H]1CCN([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181144256 171013490 /nfs/dbraw/zinc/01/34/90/171013490.db2.gz PUBFRLUWMIGDBN-NWDGAFQWSA-N 0 3 244.338 3.621 20 0 BHADHN CC[C@H]1CCN([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181144271 385565504 /nfs/dbraw/zinc/56/55/04/385565504.db2.gz PUBFRLUWMIGDBN-RYUDHWBXSA-N 0 3 244.338 3.621 20 0 BHADHN C[C@@H](c1nc2ccccc2o1)N(C)CCC1CC1 ZINC000181185952 176039329 /nfs/dbraw/zinc/03/93/29/176039329.db2.gz GSDZDWFXIQSDSK-NSHDSACASA-N 0 3 244.338 3.621 20 0 BHADHN C[C@H](c1nc2ccccc2o1)N(C)CCC1CC1 ZINC000181185969 177054173 /nfs/dbraw/zinc/05/41/73/177054173.db2.gz GSDZDWFXIQSDSK-LLVKDONJSA-N 0 3 244.338 3.621 20 0 BHADHN C[C@H](NCc1ccnc(Cl)c1)c1ccccc1 ZINC000181362157 642866711 /nfs/dbraw/zinc/86/67/11/642866711.db2.gz FBHNTNIVDDEDBU-NSHDSACASA-N 0 3 246.741 3.586 20 0 BHADHN C[C@H](NCc1ccccc1)c1ccc(Cl)nc1 ZINC000181367999 633084484 /nfs/dbraw/zinc/08/44/84/633084484.db2.gz SSLRQZHQGYVYQP-NSHDSACASA-N 0 3 246.741 3.586 20 0 BHADHN C[C@@H](NCc1ccccc1)c1ccc(Cl)nc1 ZINC000181368016 642867416 /nfs/dbraw/zinc/86/74/16/642867416.db2.gz SSLRQZHQGYVYQP-LLVKDONJSA-N 0 3 246.741 3.586 20 0 BHADHN Cc1ccc([C@@H](C)NC/C=C/Cl)cc1F ZINC000181371521 642866595 /nfs/dbraw/zinc/86/65/95/642866595.db2.gz FQDKBXKVHPJAMN-QLCVYAKKSA-N 0 3 227.710 3.537 20 0 BHADHN Cc1ccc([C@H](C)NC/C=C/Cl)cc1F ZINC000181371539 642867464 /nfs/dbraw/zinc/86/74/64/642867464.db2.gz FQDKBXKVHPJAMN-YVGDHZEHSA-N 0 3 227.710 3.537 20 0 BHADHN Cc1cccc(C)c1CCN[C@@H](C)c1ccoc1 ZINC000181387639 366807096 /nfs/dbraw/zinc/80/70/96/366807096.db2.gz WPGCMELRDOUJFQ-AWEZNQCLSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1cccc(C)c1CCN[C@H](C)c1ccoc1 ZINC000181387661 366807025 /nfs/dbraw/zinc/80/70/25/366807025.db2.gz WPGCMELRDOUJFQ-CQSZACIVSA-N 0 3 243.350 3.790 20 0 BHADHN CCOc1cccc2cc([C@@H](C)NC3CC3)oc21 ZINC000181387664 366806970 /nfs/dbraw/zinc/80/69/70/366806970.db2.gz AYYSCHUXLIFVSJ-SNVBAGLBSA-N 0 3 245.322 3.645 20 0 BHADHN CCOc1cccc2cc([C@H](C)NC3CC3)oc21 ZINC000181387683 366806906 /nfs/dbraw/zinc/80/69/06/366806906.db2.gz AYYSCHUXLIFVSJ-JTQLQIEISA-N 0 3 245.322 3.645 20 0 BHADHN C[C@H](NC/C=C/Cl)c1cccc(Cl)c1 ZINC000181420692 642870574 /nfs/dbraw/zinc/87/05/74/642870574.db2.gz LCFBIIRQZLUYTL-SWTNXBIASA-N 0 3 230.138 3.743 20 0 BHADHN C[C@@H](NC/C=C/Cl)c1cccc(Cl)c1 ZINC000181420712 642870642 /nfs/dbraw/zinc/87/06/42/642870642.db2.gz LCFBIIRQZLUYTL-BSPAPZMXSA-N 0 3 230.138 3.743 20 0 BHADHN Cc1csc([C@H](NCCC(C)C)C2CC2)n1 ZINC000181618225 385411955 /nfs/dbraw/zinc/41/19/55/385411955.db2.gz GIZAUDRHLSOPDD-GFCCVEGCSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@@H](NCCC(C)C)C2CC2)n1 ZINC000181618246 385411992 /nfs/dbraw/zinc/41/19/92/385411992.db2.gz GIZAUDRHLSOPDD-LBPRGKRZSA-N 0 3 238.400 3.538 20 0 BHADHN CC(C)[C@H](NCCCF)c1ccc(F)cc1F ZINC000181653462 347067566 /nfs/dbraw/zinc/06/75/66/347067566.db2.gz UWNOHCCUROBFRR-ZDUSSCGKSA-N 0 3 245.288 3.611 20 0 BHADHN CC(C)[C@@H](NCCCF)c1ccc(F)cc1F ZINC000181653482 366835858 /nfs/dbraw/zinc/83/58/58/366835858.db2.gz UWNOHCCUROBFRR-CYBMUJFWSA-N 0 3 245.288 3.611 20 0 BHADHN Cc1oncc1CN1CCC2(CCCCC2)CC1 ZINC000181675103 387936462 /nfs/dbraw/zinc/93/64/62/387936462.db2.gz KONONPXDEDGYGU-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN CCC[C@H](NCCCF)c1ccc(F)cc1F ZINC000181678117 366837612 /nfs/dbraw/zinc/83/76/12/366837612.db2.gz QUYXHSVIVSOUTE-ZDUSSCGKSA-N 0 3 245.288 3.755 20 0 BHADHN CCC[C@@H](NCCCF)c1ccc(F)cc1F ZINC000181678130 366838132 /nfs/dbraw/zinc/83/81/32/366838132.db2.gz QUYXHSVIVSOUTE-CYBMUJFWSA-N 0 3 245.288 3.755 20 0 BHADHN CC[C@H](NCc1cncc(C)c1)c1cccs1 ZINC000181828129 259365216 /nfs/dbraw/zinc/36/52/16/259365216.db2.gz JBXFEGYQKIPVEH-ZDUSSCGKSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1cncc(C)c1)c1cccs1 ZINC000181828280 259365243 /nfs/dbraw/zinc/36/52/43/259365243.db2.gz JBXFEGYQKIPVEH-CYBMUJFWSA-N 0 3 246.379 3.692 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cncc(C)c2)cc1 ZINC000181835315 385611568 /nfs/dbraw/zinc/61/15/68/385611568.db2.gz WWACHVHGODPJSL-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@H](C)NCc2cncc(C)c2)cc1 ZINC000181835335 385611747 /nfs/dbraw/zinc/61/17/47/385611747.db2.gz WWACHVHGODPJSL-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cncc(C)c2)s1 ZINC000181838581 259365125 /nfs/dbraw/zinc/36/51/25/259365125.db2.gz USPVHUQJAHOCPY-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc([C@H](C)NCc2cncc(C)c2)s1 ZINC000181838604 259365141 /nfs/dbraw/zinc/36/51/41/259365141.db2.gz USPVHUQJAHOCPY-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC(C)=CCN[C@@H](CC(C)C)c1ccccn1 ZINC000181883571 385613618 /nfs/dbraw/zinc/61/36/18/385613618.db2.gz PEQPSELALJQNKN-HNNXBMFYSA-N 0 3 232.371 3.725 20 0 BHADHN CC(C)=CCN[C@H](CC(C)C)c1ccccn1 ZINC000181883596 385613543 /nfs/dbraw/zinc/61/35/43/385613543.db2.gz PEQPSELALJQNKN-OAHLLOKOSA-N 0 3 232.371 3.725 20 0 BHADHN C[C@H](N[C@H]1C=CCCC1)c1cccc(F)c1F ZINC000181999323 385626432 /nfs/dbraw/zinc/62/64/32/385626432.db2.gz XDBXNLYQQXFZMR-QWRGUYRKSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@@H](N[C@H]1C=CCCC1)c1cccc(F)c1F ZINC000181999343 385627859 /nfs/dbraw/zinc/62/78/59/385627859.db2.gz XDBXNLYQQXFZMR-MNOVXSKESA-N 0 3 237.293 3.724 20 0 BHADHN C[C@H](N[C@@H]1C=CCCC1)c1cccc(F)c1F ZINC000181999363 366858889 /nfs/dbraw/zinc/85/88/89/366858889.db2.gz XDBXNLYQQXFZMR-WDEREUQCSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@@H](N[C@@H]1C=CCCC1)c1cccc(F)c1F ZINC000181999379 366858849 /nfs/dbraw/zinc/85/88/49/366858849.db2.gz XDBXNLYQQXFZMR-GHMZBOCLSA-N 0 3 237.293 3.724 20 0 BHADHN CC[C@@H](C)[C@@H](C)N[C@@H](C)c1nc2ccccc2o1 ZINC000182067902 385632698 /nfs/dbraw/zinc/63/26/98/385632698.db2.gz VWAYWPHSBCMQDV-UTUOFQBUSA-N 0 3 246.354 3.913 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc2ccccc2o1 ZINC000182067923 171366505 /nfs/dbraw/zinc/36/65/05/171366505.db2.gz VWAYWPHSBCMQDV-TUAOUCFPSA-N 0 3 246.354 3.913 20 0 BHADHN CC[C@@H](C)[C@H](C)N[C@@H](C)c1nc2ccccc2o1 ZINC000182067940 385633399 /nfs/dbraw/zinc/63/33/99/385633399.db2.gz VWAYWPHSBCMQDV-WOPDTQHZSA-N 0 3 246.354 3.913 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1nc2ccccc2o1 ZINC000182068067 171390371 /nfs/dbraw/zinc/39/03/71/171390371.db2.gz VWAYWPHSBCMQDV-SRVKXCTJSA-N 0 3 246.354 3.913 20 0 BHADHN CC(C)(C)CN(Cc1ccon1)CC(C)(C)C ZINC000182078610 366866513 /nfs/dbraw/zinc/86/65/13/366866513.db2.gz BIRMSGZZMKWTBF-UHFFFAOYSA-N 0 3 238.375 3.569 20 0 BHADHN CCNC(C)(c1ccccc1)c1ccccc1 ZINC000182186827 366872496 /nfs/dbraw/zinc/87/24/96/366872496.db2.gz GZNGTEUKHKPHKZ-UHFFFAOYSA-N 0 3 225.335 3.560 20 0 BHADHN C[C@@H](CC1CC1)NC1(c2ccccc2F)CC1 ZINC000182233584 366877571 /nfs/dbraw/zinc/87/75/71/366877571.db2.gz HLFXFFUOIQCKJK-NSHDSACASA-N 0 3 233.330 3.593 20 0 BHADHN C[C@H](CC1CC1)NC1(c2ccccc2F)CC1 ZINC000182233596 366877573 /nfs/dbraw/zinc/87/75/73/366877573.db2.gz HLFXFFUOIQCKJK-LLVKDONJSA-N 0 3 233.330 3.593 20 0 BHADHN CCCCCN[C@@H](CC)c1c(C)noc1C ZINC000182394114 385444600 /nfs/dbraw/zinc/44/46/00/385444600.db2.gz OZPFLFYBRCKOCW-LBPRGKRZSA-N 0 3 224.348 3.522 20 0 BHADHN CCCCCN[C@H](CC)c1c(C)noc1C ZINC000182394132 385665079 /nfs/dbraw/zinc/66/50/79/385665079.db2.gz OZPFLFYBRCKOCW-GFCCVEGCSA-N 0 3 224.348 3.522 20 0 BHADHN C[C@@H]1CC[C@H](NC2(c3ccccc3F)CC2)C1 ZINC000182400438 366897225 /nfs/dbraw/zinc/89/72/25/366897225.db2.gz NVGFDTIGAIRLRU-NEPJUHHUSA-N 0 3 233.330 3.593 20 0 BHADHN C[C@H]1CC[C@H](NC2(c3ccccc3F)CC2)C1 ZINC000182400457 366896823 /nfs/dbraw/zinc/89/68/23/366896823.db2.gz NVGFDTIGAIRLRU-RYUDHWBXSA-N 0 3 233.330 3.593 20 0 BHADHN C[C@@H]1CC[C@@H](NC2(c3ccccc3F)CC2)C1 ZINC000182400475 366897098 /nfs/dbraw/zinc/89/70/98/366897098.db2.gz NVGFDTIGAIRLRU-VXGBXAGGSA-N 0 3 233.330 3.593 20 0 BHADHN C[C@H]1CC[C@@H](NC2(c3ccccc3F)CC2)C1 ZINC000182400494 345081133 /nfs/dbraw/zinc/08/11/33/345081133.db2.gz NVGFDTIGAIRLRU-NWDGAFQWSA-N 0 3 233.330 3.593 20 0 BHADHN CCC(CC)N[C@@H](C)c1nc2ccccc2o1 ZINC000182420955 366900482 /nfs/dbraw/zinc/90/04/82/366900482.db2.gz KPDKHFWCNDLPBM-JTQLQIEISA-N 0 3 232.327 3.667 20 0 BHADHN CCC(CC)N[C@H](C)c1nc2ccccc2o1 ZINC000182420977 366901331 /nfs/dbraw/zinc/90/13/31/366901331.db2.gz KPDKHFWCNDLPBM-SNVBAGLBSA-N 0 3 232.327 3.667 20 0 BHADHN CCSCCN[C@@H](C)c1cc2ccccc2o1 ZINC000182640816 385461371 /nfs/dbraw/zinc/46/13/71/385461371.db2.gz CREALORMHFNSCJ-NSHDSACASA-N 0 3 249.379 3.837 20 0 BHADHN CCSCCN[C@H](C)c1cc2ccccc2o1 ZINC000182640835 385460635 /nfs/dbraw/zinc/46/06/35/385460635.db2.gz CREALORMHFNSCJ-LLVKDONJSA-N 0 3 249.379 3.837 20 0 BHADHN Cc1cc([C@@H](C)NC/C=C/Cl)c(C)s1 ZINC000182763223 643065627 /nfs/dbraw/zinc/06/56/27/643065627.db2.gz CGPLKGCEELMHSG-XNPJLODASA-N 0 3 229.776 3.768 20 0 BHADHN Cc1cc([C@H](C)NC/C=C/Cl)c(C)s1 ZINC000182763238 643065323 /nfs/dbraw/zinc/06/53/23/643065323.db2.gz CGPLKGCEELMHSG-MOVJSRMASA-N 0 3 229.776 3.768 20 0 BHADHN CC(C)n1ccnc1CN[C@@H](C)C1CCCCC1 ZINC000182935201 366958863 /nfs/dbraw/zinc/95/88/63/366958863.db2.gz QXNNJUPZJLANTL-ZDUSSCGKSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccnc1CN[C@H](C)C1CCCCC1 ZINC000182935222 366959504 /nfs/dbraw/zinc/95/95/04/366959504.db2.gz QXNNJUPZJLANTL-CYBMUJFWSA-N 0 3 249.402 3.522 20 0 BHADHN Cc1cc(C)cc([C@@H](C)NC/C=C/Cl)c1 ZINC000182939966 643074017 /nfs/dbraw/zinc/07/40/17/643074017.db2.gz PMYWSEUMXUZAPT-ZYOFXKKJSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1cc(C)cc([C@H](C)NC/C=C/Cl)c1 ZINC000182939987 643073740 /nfs/dbraw/zinc/07/37/40/643073740.db2.gz PMYWSEUMXUZAPT-ITKZLYELSA-N 0 3 223.747 3.707 20 0 BHADHN CCCc1nc(CN[C@@H](C)[C@@H](C)CC)cs1 ZINC000183035582 385501881 /nfs/dbraw/zinc/50/18/81/385501881.db2.gz MEKSNFSWFJILSB-QWRGUYRKSA-N 0 3 240.416 3.620 20 0 BHADHN CCCc1nc(CN[C@H](C)[C@@H](C)CC)cs1 ZINC000183035605 385502394 /nfs/dbraw/zinc/50/23/94/385502394.db2.gz MEKSNFSWFJILSB-WDEREUQCSA-N 0 3 240.416 3.620 20 0 BHADHN CCCc1nc(CN[C@@H](C)[C@H](C)CC)cs1 ZINC000183035626 385502373 /nfs/dbraw/zinc/50/23/73/385502373.db2.gz MEKSNFSWFJILSB-MNOVXSKESA-N 0 3 240.416 3.620 20 0 BHADHN CCCc1nc(CN[C@H](C)[C@H](C)CC)cs1 ZINC000183035640 385502133 /nfs/dbraw/zinc/50/21/33/385502133.db2.gz MEKSNFSWFJILSB-GHMZBOCLSA-N 0 3 240.416 3.620 20 0 BHADHN CC(C)N(Cc1cc(F)ccc1F)C(C)C ZINC000183041165 535087574 /nfs/dbraw/zinc/08/75/74/535087574.db2.gz XZOKCLOTDSEUJU-UHFFFAOYSA-N 0 3 227.298 3.584 20 0 BHADHN CC(C)N(Cc1nc2ccccc2s1)C(C)C ZINC000183051591 535121203 /nfs/dbraw/zinc/12/12/03/535121203.db2.gz OPZPXLVBAARIDF-UHFFFAOYSA-N 0 3 248.395 3.915 20 0 BHADHN CCN(Cc1ccco1)[C@@H](C)Cc1ccsc1 ZINC000183055453 366970584 /nfs/dbraw/zinc/97/05/84/366970584.db2.gz MLKDTXMSTBVXRK-LBPRGKRZSA-N 0 3 249.379 3.794 20 0 BHADHN CCN(Cc1ccco1)[C@H](C)Cc1ccsc1 ZINC000183055475 366971108 /nfs/dbraw/zinc/97/11/08/366971108.db2.gz MLKDTXMSTBVXRK-GFCCVEGCSA-N 0 3 249.379 3.794 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000183100342 366976816 /nfs/dbraw/zinc/97/68/16/366976816.db2.gz MAEGDAHYUXTBFJ-VIFPVBQESA-N 0 3 243.272 3.721 20 0 BHADHN CC(C)=CCN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000183100363 366977129 /nfs/dbraw/zinc/97/71/29/366977129.db2.gz MAEGDAHYUXTBFJ-SECBINFHSA-N 0 3 243.272 3.721 20 0 BHADHN C[C@H](NCC(C)(C)C)c1cccc(F)c1F ZINC000183236193 385511119 /nfs/dbraw/zinc/51/11/19/385511119.db2.gz RBWDDBZXCONLNL-VIFPVBQESA-N 0 3 227.298 3.662 20 0 BHADHN C[C@@H](NCC(C)(C)C)c1cccc(F)c1F ZINC000183236211 385511192 /nfs/dbraw/zinc/51/11/92/385511192.db2.gz RBWDDBZXCONLNL-SECBINFHSA-N 0 3 227.298 3.662 20 0 BHADHN C[C@H](N[C@H]1CC=CCC1)c1cccc(F)c1F ZINC000183299855 385751817 /nfs/dbraw/zinc/75/18/17/385751817.db2.gz SPZXZCMBROHLOX-QWRGUYRKSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@@H](N[C@H]1CC=CCC1)c1cccc(F)c1F ZINC000183299873 385515894 /nfs/dbraw/zinc/51/58/94/385515894.db2.gz SPZXZCMBROHLOX-MNOVXSKESA-N 0 3 237.293 3.724 20 0 BHADHN C[C@H](N[C@@H]1CC=CCC1)c1cccc(F)c1F ZINC000183299894 385516001 /nfs/dbraw/zinc/51/60/01/385516001.db2.gz SPZXZCMBROHLOX-WDEREUQCSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@@H](N[C@@H]1CC=CCC1)c1cccc(F)c1F ZINC000183299912 385515968 /nfs/dbraw/zinc/51/59/68/385515968.db2.gz SPZXZCMBROHLOX-GHMZBOCLSA-N 0 3 237.293 3.724 20 0 BHADHN CCCCCN[C@@H](c1nc(C)cs1)C1CC1 ZINC000183490202 385549131 /nfs/dbraw/zinc/54/91/31/385549131.db2.gz MBZSCKGABHZHNR-GFCCVEGCSA-N 0 3 238.400 3.682 20 0 BHADHN CCCCCN[C@H](c1nc(C)cs1)C1CC1 ZINC000183490223 385548404 /nfs/dbraw/zinc/54/84/04/385548404.db2.gz MBZSCKGABHZHNR-LBPRGKRZSA-N 0 3 238.400 3.682 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccc(C)s1 ZINC000183646606 384548897 /nfs/dbraw/zinc/54/88/97/384548897.db2.gz STHVAAHOPFSODV-LLVKDONJSA-N 0 3 209.358 3.673 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccc(C)s1 ZINC000183646626 384546221 /nfs/dbraw/zinc/54/62/21/384546221.db2.gz STHVAAHOPFSODV-NSHDSACASA-N 0 3 209.358 3.673 20 0 BHADHN Cc1cccc([C@@H](C)NCCOC(C)(C)C)c1C ZINC000183710578 367041282 /nfs/dbraw/zinc/04/12/82/367041282.db2.gz DWVCIXXTCCIBKL-CQSZACIVSA-N 0 3 249.398 3.769 20 0 BHADHN Cc1cccc([C@H](C)NCCOC(C)(C)C)c1C ZINC000183710593 347133511 /nfs/dbraw/zinc/13/35/11/347133511.db2.gz DWVCIXXTCCIBKL-AWEZNQCLSA-N 0 3 249.398 3.769 20 0 BHADHN Cc1cccc([C@@H](C)NC/C=C/Cl)c1C ZINC000183736331 643159683 /nfs/dbraw/zinc/15/96/83/643159683.db2.gz JRNUGGHVAFGDDQ-FZKGZDJFSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1cccc([C@H](C)NC/C=C/Cl)c1C ZINC000183736350 643159998 /nfs/dbraw/zinc/15/99/98/643159998.db2.gz JRNUGGHVAFGDDQ-ZCRIDZFUSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2C=CCCC2)c(C)o1 ZINC000183794812 384593672 /nfs/dbraw/zinc/59/36/72/384593672.db2.gz IMJGUKLENXADJB-YPMHNXCESA-N 0 3 219.328 3.656 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2C=CCCC2)c(C)o1 ZINC000183794828 205686105 /nfs/dbraw/zinc/68/61/05/205686105.db2.gz IMJGUKLENXADJB-AAEUAGOBSA-N 0 3 219.328 3.656 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2C=CCCC2)c(C)o1 ZINC000183794843 384593368 /nfs/dbraw/zinc/59/33/68/384593368.db2.gz IMJGUKLENXADJB-DGCLKSJQSA-N 0 3 219.328 3.656 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2C=CCCC2)c(C)o1 ZINC000183794857 384593953 /nfs/dbraw/zinc/59/39/53/384593953.db2.gz IMJGUKLENXADJB-WCQYABFASA-N 0 3 219.328 3.656 20 0 BHADHN CC(C)=CCN[C@H](C)c1cc(C)oc1C ZINC000183809362 384586622 /nfs/dbraw/zinc/58/66/22/384586622.db2.gz AUGTYMJBDMHOGK-LLVKDONJSA-N 0 3 207.317 3.513 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cc(C)oc1C ZINC000183809377 384587737 /nfs/dbraw/zinc/58/77/37/384587737.db2.gz AUGTYMJBDMHOGK-NSHDSACASA-N 0 3 207.317 3.513 20 0 BHADHN FCCCNC1c2ccccc2-c2ccccc21 ZINC000183911614 367057568 /nfs/dbraw/zinc/05/75/68/367057568.db2.gz ZMDXBLLWQZTONH-UHFFFAOYSA-N 0 3 241.309 3.706 20 0 BHADHN CCCCCCNC(C)(C)c1ncc(C)s1 ZINC000183957126 643185439 /nfs/dbraw/zinc/18/54/39/643185439.db2.gz WQTTVMCZMWTAMU-UHFFFAOYSA-N 0 3 240.416 3.857 20 0 BHADHN CC[C@H](NCC=C(C)C)c1cccs1 ZINC000184072942 385584243 /nfs/dbraw/zinc/58/42/43/385584243.db2.gz BDVAYWDRSVSCPL-NSHDSACASA-N 0 3 209.358 3.755 20 0 BHADHN CC[C@@H](NCC=C(C)C)c1cccs1 ZINC000184072956 385583697 /nfs/dbraw/zinc/58/36/97/385583697.db2.gz BDVAYWDRSVSCPL-LLVKDONJSA-N 0 3 209.358 3.755 20 0 BHADHN CC[C@H](NC/C=C/Cl)c1cccs1 ZINC000184098712 711900610 /nfs/dbraw/zinc/90/06/10/711900610.db2.gz BBQPOSLIJOJYDC-DNQSNQRASA-N 0 3 215.749 3.541 20 0 BHADHN CC[C@@H](NC/C=C/Cl)c1cccs1 ZINC000184098726 711900688 /nfs/dbraw/zinc/90/06/88/711900688.db2.gz BBQPOSLIJOJYDC-OTQAPUNGSA-N 0 3 215.749 3.541 20 0 BHADHN [O-]c1cc(F)cc(C[NH2+]CCC2=CCCCC2)c1 ZINC000184132674 134359160 /nfs/dbraw/zinc/35/91/60/134359160.db2.gz ZRTSHWXVFKVKQZ-UHFFFAOYSA-N 0 3 249.329 3.511 20 0 BHADHN Cc1csc([C@@H](C)NCCC2CCCC2)n1 ZINC000184217505 323088703 /nfs/dbraw/zinc/08/87/03/323088703.db2.gz ARMDKFNVTIAITR-LLVKDONJSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1csc([C@H](C)NCCC2CCCC2)n1 ZINC000184217517 323088670 /nfs/dbraw/zinc/08/86/70/323088670.db2.gz ARMDKFNVTIAITR-NSHDSACASA-N 0 3 238.400 3.682 20 0 BHADHN CCC[C@@H]1CCCCN1Cc1cnn(C(C)C)c1 ZINC000184234198 535409934 /nfs/dbraw/zinc/40/99/34/535409934.db2.gz BXFCGBBJDSLYJI-OAHLLOKOSA-N 0 3 249.402 3.619 20 0 BHADHN CCC[C@H]1CCCCN1Cc1cnn(C(C)C)c1 ZINC000184234218 134361132 /nfs/dbraw/zinc/36/11/32/134361132.db2.gz BXFCGBBJDSLYJI-HNNXBMFYSA-N 0 3 249.402 3.619 20 0 BHADHN Cc1cncc([C@@H](C)N[C@@H](C)c2ccccc2)c1 ZINC000184253205 384585389 /nfs/dbraw/zinc/58/53/89/384585389.db2.gz TUWWZFUXRUVNBN-UONOGXRCSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1cncc([C@H](C)N[C@@H](C)c2ccccc2)c1 ZINC000184253226 384585299 /nfs/dbraw/zinc/58/52/99/384585299.db2.gz TUWWZFUXRUVNBN-KBPBESRZSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1cncc([C@@H](C)N[C@H](C)c2ccccc2)c1 ZINC000184253242 384585755 /nfs/dbraw/zinc/58/57/55/384585755.db2.gz TUWWZFUXRUVNBN-ZIAGYGMSSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1cncc([C@H](C)N[C@H](C)c2ccccc2)c1 ZINC000184253257 384586565 /nfs/dbraw/zinc/58/65/65/384586565.db2.gz TUWWZFUXRUVNBN-KGLIPLIRSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2cncc(C)c2)cc1 ZINC000184255163 384587268 /nfs/dbraw/zinc/58/72/68/384587268.db2.gz NHHRNELVJRASAD-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(CN[C@H](C)c2cncc(C)c2)cc1 ZINC000184255183 384585847 /nfs/dbraw/zinc/58/58/47/384585847.db2.gz NHHRNELVJRASAD-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cncc([C@H](C)NCc2ccccc2C)c1 ZINC000184257484 384584799 /nfs/dbraw/zinc/58/47/99/384584799.db2.gz GWULIISFNPIJDJ-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cncc([C@@H](C)NCc2ccccc2C)c1 ZINC000184257502 384586641 /nfs/dbraw/zinc/58/66/41/384586641.db2.gz GWULIISFNPIJDJ-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc(CN[C@@H](C)c2cncc(C)c2)c1 ZINC000184265300 179097192 /nfs/dbraw/zinc/09/71/92/179097192.db2.gz CJNHKOVWSODMHW-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc(CN[C@H](C)c2cncc(C)c2)c1 ZINC000184265315 179100179 /nfs/dbraw/zinc/10/01/79/179100179.db2.gz CJNHKOVWSODMHW-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN CCCCCN[C@@H](CC)c1nc(C)cs1 ZINC000184343129 398033910 /nfs/dbraw/zinc/03/39/10/398033910.db2.gz TXPDOOZNZCWDHL-NSHDSACASA-N 0 3 226.389 3.682 20 0 BHADHN CCCCCN[C@H](CC)c1nc(C)cs1 ZINC000184343153 398033614 /nfs/dbraw/zinc/03/36/14/398033614.db2.gz TXPDOOZNZCWDHL-LLVKDONJSA-N 0 3 226.389 3.682 20 0 BHADHN CC[C@H](NCCC(C)C)c1nc(C)cs1 ZINC000184376583 385638001 /nfs/dbraw/zinc/63/80/01/385638001.db2.gz PZURYYHRLANEBP-NSHDSACASA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@@H](NCCC(C)C)c1nc(C)cs1 ZINC000184376603 385636534 /nfs/dbraw/zinc/63/65/34/385636534.db2.gz PZURYYHRLANEBP-LLVKDONJSA-N 0 3 226.389 3.538 20 0 BHADHN CCCCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184449270 385659291 /nfs/dbraw/zinc/65/92/91/385659291.db2.gz PKLZLNBNEZAFCB-JTQLQIEISA-N 0 3 240.416 3.891 20 0 BHADHN CCCCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184449291 385659324 /nfs/dbraw/zinc/65/93/24/385659324.db2.gz PKLZLNBNEZAFCB-SNVBAGLBSA-N 0 3 240.416 3.891 20 0 BHADHN CC/C=C/CCN(C)[C@@H](C)c1ccco1 ZINC000184481799 388578608 /nfs/dbraw/zinc/57/86/08/388578608.db2.gz VTWSZKBZPQRRIT-FYJFLYSWSA-N 0 3 207.317 3.629 20 0 BHADHN CC/C=C/CCN(C)[C@H](C)c1ccco1 ZINC000184481818 388577966 /nfs/dbraw/zinc/57/79/66/388577966.db2.gz VTWSZKBZPQRRIT-BTDICHCPSA-N 0 3 207.317 3.629 20 0 BHADHN CCCN(C/C=C/Cl)CCc1cccs1 ZINC000184507699 643215028 /nfs/dbraw/zinc/21/50/28/643215028.db2.gz ZVLZHGPIWNJDMT-QPJJXVBHSA-N 0 3 243.803 3.755 20 0 BHADHN CC/C=C/CCN1CCC(C(F)(F)F)CC1 ZINC000184587097 384623020 /nfs/dbraw/zinc/62/30/20/384623020.db2.gz JLOWEROIOKNVOS-ONEGZZNKSA-N 0 3 235.293 3.617 20 0 BHADHN CC/C=C/CCN(C)Cc1ccc(Cl)nc1 ZINC000184601023 188168982 /nfs/dbraw/zinc/16/89/82/188168982.db2.gz PEPPUMHUTOUVPG-SNAWJCMRSA-N 0 3 238.762 3.523 20 0 BHADHN CC/C=C/CCNC(C)(C)c1nc(C)cs1 ZINC000184660562 398047499 /nfs/dbraw/zinc/04/74/99/398047499.db2.gz YYLLPEVOOKPPEB-VOTSOKGWSA-N 0 3 238.400 3.633 20 0 BHADHN CC/C=C/CCN[C@@](C)(CC)c1nccs1 ZINC000184664822 398049587 /nfs/dbraw/zinc/04/95/87/398049587.db2.gz JFOAAIKRGOIXFG-YBJDMEARSA-N 0 3 238.400 3.714 20 0 BHADHN CC/C=C/CCN[C@](C)(CC)c1nccs1 ZINC000184664840 398049789 /nfs/dbraw/zinc/04/97/89/398049789.db2.gz JFOAAIKRGOIXFG-KTRBRXNASA-N 0 3 238.400 3.714 20 0 BHADHN CCCCCN[C@@H](C)c1csc(CC)n1 ZINC000184676769 385689054 /nfs/dbraw/zinc/68/90/54/385689054.db2.gz VJERUGZXINUFLQ-JTQLQIEISA-N 0 3 226.389 3.546 20 0 BHADHN CCCCCN[C@H](C)c1csc(CC)n1 ZINC000184676786 385689826 /nfs/dbraw/zinc/68/98/26/385689826.db2.gz VJERUGZXINUFLQ-SNVBAGLBSA-N 0 3 226.389 3.546 20 0 BHADHN CCCCCCN[C@@H](C)c1csc(CC)n1 ZINC000184717887 643232506 /nfs/dbraw/zinc/23/25/06/643232506.db2.gz XOIRLOOCJMONEU-NSHDSACASA-N 0 3 240.416 3.936 20 0 BHADHN CCCCCCN[C@H](C)c1csc(CC)n1 ZINC000184717907 643232687 /nfs/dbraw/zinc/23/26/87/643232687.db2.gz XOIRLOOCJMONEU-LLVKDONJSA-N 0 3 240.416 3.936 20 0 BHADHN CCCCN[C@@H](C)c1csc(C(C)C)n1 ZINC000184721765 385707094 /nfs/dbraw/zinc/70/70/94/385707094.db2.gz OTTSSIQEZOOHOT-JTQLQIEISA-N 0 3 226.389 3.717 20 0 BHADHN CCCCN[C@H](C)c1csc(C(C)C)n1 ZINC000184721784 385706691 /nfs/dbraw/zinc/70/66/91/385706691.db2.gz OTTSSIQEZOOHOT-SNVBAGLBSA-N 0 3 226.389 3.717 20 0 BHADHN CC(C)CCN[C@@H](C)c1csc(C(C)C)n1 ZINC000184723315 385706472 /nfs/dbraw/zinc/70/64/72/385706472.db2.gz LPNLDFADVYWYOG-NSHDSACASA-N 0 3 240.416 3.963 20 0 BHADHN CC(C)CCN[C@H](C)c1csc(C(C)C)n1 ZINC000184723331 385706733 /nfs/dbraw/zinc/70/67/33/385706733.db2.gz LPNLDFADVYWYOG-LLVKDONJSA-N 0 3 240.416 3.963 20 0 BHADHN c1ccc2c(c1)nccc2N1CCCC2(CC2)C1 ZINC000184833300 134369270 /nfs/dbraw/zinc/36/92/70/134369270.db2.gz MZFAGXOAAUEAAC-UHFFFAOYSA-N 0 3 238.334 3.615 20 0 BHADHN CCC[C@H](NCc1ccccc1)c1cccnc1 ZINC000184849561 384655714 /nfs/dbraw/zinc/65/57/14/384655714.db2.gz HUMMTFBYRLXCGB-INIZCTEOSA-N 0 3 240.350 3.713 20 0 BHADHN CCC[C@@H](NCc1ccccc1)c1cccnc1 ZINC000184849575 384656855 /nfs/dbraw/zinc/65/68/55/384656855.db2.gz HUMMTFBYRLXCGB-MRXNPFEDSA-N 0 3 240.350 3.713 20 0 BHADHN CCC[C@H](NCc1cccs1)c1cccnc1 ZINC000184872732 384660523 /nfs/dbraw/zinc/66/05/23/384660523.db2.gz VSQAWMHAFFJTSS-AWEZNQCLSA-N 0 3 246.379 3.774 20 0 BHADHN CCC[C@@H](NCc1cccs1)c1cccnc1 ZINC000184872752 384661197 /nfs/dbraw/zinc/66/11/97/384661197.db2.gz VSQAWMHAFFJTSS-CQSZACIVSA-N 0 3 246.379 3.774 20 0 BHADHN CCCC[C@H](NCc1nccs1)C1CCC1 ZINC000184908629 385717488 /nfs/dbraw/zinc/71/74/88/385717488.db2.gz FXWBPCAAIVBVRG-LBPRGKRZSA-N 0 3 238.400 3.592 20 0 BHADHN CCCC[C@@H](NCc1nccs1)C1CCC1 ZINC000184908650 385715883 /nfs/dbraw/zinc/71/58/83/385715883.db2.gz FXWBPCAAIVBVRG-GFCCVEGCSA-N 0 3 238.400 3.592 20 0 BHADHN Cc1cnc([C@@H](C)NCCC2CCCC2)s1 ZINC000185010842 385719587 /nfs/dbraw/zinc/71/95/87/385719587.db2.gz OQMQYGAWCIBUIJ-LLVKDONJSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1cnc([C@H](C)NCCC2CCCC2)s1 ZINC000185010861 385719936 /nfs/dbraw/zinc/71/99/36/385719936.db2.gz OQMQYGAWCIBUIJ-NSHDSACASA-N 0 3 238.400 3.682 20 0 BHADHN CCC[C@H](NCc1ccsc1)c1cccnc1 ZINC000185019979 384674229 /nfs/dbraw/zinc/67/42/29/384674229.db2.gz OVESLRSACZTMOU-AWEZNQCLSA-N 0 3 246.379 3.774 20 0 BHADHN CCC[C@@H](NCc1ccsc1)c1cccnc1 ZINC000185019998 384673931 /nfs/dbraw/zinc/67/39/31/384673931.db2.gz OVESLRSACZTMOU-CQSZACIVSA-N 0 3 246.379 3.774 20 0 BHADHN CC[C@H](NCCC1CCCC1)c1nccs1 ZINC000185087251 385719923 /nfs/dbraw/zinc/71/99/23/385719923.db2.gz LEFCJDWCLGMBRX-LBPRGKRZSA-N 0 3 238.400 3.764 20 0 BHADHN CC[C@@H](NCCC1CCCC1)c1nccs1 ZINC000185087268 385718326 /nfs/dbraw/zinc/71/83/26/385718326.db2.gz LEFCJDWCLGMBRX-GFCCVEGCSA-N 0 3 238.400 3.764 20 0 BHADHN Cc1oncc1CN(C1CC1)C1CCC(C)CC1 ZINC000185191296 367125456 /nfs/dbraw/zinc/12/54/56/367125456.db2.gz HVAIHYFONCPLKX-UHFFFAOYSA-N 0 3 248.370 3.526 20 0 BHADHN Cc1oncc1CN(CC1CCCCC1)C1CC1 ZINC000185193933 367124868 /nfs/dbraw/zinc/12/48/68/367124868.db2.gz ZAPQEUDBTPITRH-UHFFFAOYSA-N 0 3 248.370 3.528 20 0 BHADHN CCCCCN[C@@H](c1ncc(C)s1)C1CC1 ZINC000185275914 385729060 /nfs/dbraw/zinc/72/90/60/385729060.db2.gz JAOOQCUAABMMCT-GFCCVEGCSA-N 0 3 238.400 3.682 20 0 BHADHN CCCCCN[C@H](c1ncc(C)s1)C1CC1 ZINC000185275929 385729481 /nfs/dbraw/zinc/72/94/81/385729481.db2.gz JAOOQCUAABMMCT-LBPRGKRZSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1cnc([C@H](NCCC(C)C)C2CC2)s1 ZINC000185316500 385728953 /nfs/dbraw/zinc/72/89/53/385728953.db2.gz JDQRSGIJBIBKRR-GFCCVEGCSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1cnc([C@@H](NCCC(C)C)C2CC2)s1 ZINC000185316514 385728205 /nfs/dbraw/zinc/72/82/05/385728205.db2.gz JDQRSGIJBIBKRR-LBPRGKRZSA-N 0 3 238.400 3.538 20 0 BHADHN c1coc(CNCCC2=CCCCCC2)c1 ZINC000185405849 385728591 /nfs/dbraw/zinc/72/85/91/385728591.db2.gz YZOLJERWOQYTML-UHFFFAOYSA-N 0 3 219.328 3.650 20 0 BHADHN c1ncc(CNCCC2=CCCCCC2)s1 ZINC000185408923 187227786 /nfs/dbraw/zinc/22/77/86/187227786.db2.gz DUILXFSOCPTDKP-UHFFFAOYSA-N 0 3 236.384 3.513 20 0 BHADHN Cc1noc(C)c1CNCCC1=CCCCCC1 ZINC000185409566 136220039 /nfs/dbraw/zinc/22/00/39/136220039.db2.gz MVACCSSGHRHNNU-UHFFFAOYSA-N 0 3 248.370 3.662 20 0 BHADHN CC/C=C/CCN[C@@H](CC)c1nc(C)cs1 ZINC000185434638 385731759 /nfs/dbraw/zinc/73/17/59/385731759.db2.gz WERAYHXLXCSHBF-SYTKJHMZSA-N 0 3 238.400 3.849 20 0 BHADHN CC/C=C/CCN[C@H](CC)c1nc(C)cs1 ZINC000185434659 385730244 /nfs/dbraw/zinc/73/02/44/385730244.db2.gz WERAYHXLXCSHBF-NNNHXZLVSA-N 0 3 238.400 3.849 20 0 BHADHN CC/C=C/CCN[C@@H](CC)c1nccs1 ZINC000185436033 385731403 /nfs/dbraw/zinc/73/14/03/385731403.db2.gz HQDZQOWWHOMUQU-QRGHLMKCSA-N 0 3 224.373 3.540 20 0 BHADHN CC/C=C/CCN[C@H](CC)c1nccs1 ZINC000185436053 385730775 /nfs/dbraw/zinc/73/07/75/385730775.db2.gz HQDZQOWWHOMUQU-MVIFTORASA-N 0 3 224.373 3.540 20 0 BHADHN CC/C=C/CCN[C@@H](CC)c1c(C)noc1C ZINC000185438646 388587613 /nfs/dbraw/zinc/58/76/13/388587613.db2.gz GVROQXPCQUOSOS-GWJCSSMESA-N 0 3 236.359 3.688 20 0 BHADHN CC/C=C/CCN[C@H](CC)c1c(C)noc1C ZINC000185438668 388588037 /nfs/dbraw/zinc/58/80/37/388588037.db2.gz GVROQXPCQUOSOS-SBDDDAINSA-N 0 3 236.359 3.688 20 0 BHADHN CC/C=C/CCNC(C)(C)c1ncc(C)s1 ZINC000185441033 385730193 /nfs/dbraw/zinc/73/01/93/385730193.db2.gz AAVSZBRTRJCUNX-VOTSOKGWSA-N 0 3 238.400 3.633 20 0 BHADHN CC/C=C/CCN[C@@H](C)c1csc(CC)n1 ZINC000185443048 385731847 /nfs/dbraw/zinc/73/18/47/385731847.db2.gz HNBIMUOPPNWAPP-MLRMMBSGSA-N 0 3 238.400 3.712 20 0 BHADHN CC/C=C/CCN[C@H](C)c1csc(CC)n1 ZINC000185443067 385731503 /nfs/dbraw/zinc/73/15/03/385731503.db2.gz HNBIMUOPPNWAPP-XUIVZRPNSA-N 0 3 238.400 3.712 20 0 BHADHN Cc1ccc2nccc(NCc3ccoc3)c2c1 ZINC000185538974 134381664 /nfs/dbraw/zinc/38/16/64/134381664.db2.gz ZBOZJTFXIXRBFF-UHFFFAOYSA-N 0 3 238.290 3.748 20 0 BHADHN Cc1ccc2nccc(N3CCC[C@@H]3C)c2c1 ZINC000185740974 134393172 /nfs/dbraw/zinc/39/31/72/134393172.db2.gz NXGIQOVNAYXAPE-LBPRGKRZSA-N 0 3 226.323 3.532 20 0 BHADHN Cc1ccc2nccc(N3CCC[C@H]3C)c2c1 ZINC000185740998 134392878 /nfs/dbraw/zinc/39/28/78/134392878.db2.gz NXGIQOVNAYXAPE-GFCCVEGCSA-N 0 3 226.323 3.532 20 0 BHADHN CCC[C@@H]1CCCCN1Cc1ncc(C)s1 ZINC000185859684 343110834 /nfs/dbraw/zinc/11/08/34/343110834.db2.gz YENFMIAULGCROQ-GFCCVEGCSA-N 0 3 238.400 3.606 20 0 BHADHN CCC[C@H]1CCCCN1Cc1ncc(C)s1 ZINC000185859706 343110776 /nfs/dbraw/zinc/11/07/76/343110776.db2.gz YENFMIAULGCROQ-LBPRGKRZSA-N 0 3 238.400 3.606 20 0 BHADHN COc1ccsc1[C@H](C)NCc1ccccc1 ZINC000186078157 175379747 /nfs/dbraw/zinc/37/97/47/175379747.db2.gz IKOPOJLIWJIEMT-NSHDSACASA-N 0 3 247.363 3.608 20 0 BHADHN COc1ccsc1[C@@H](C)NCc1ccccc1 ZINC000186078173 175380222 /nfs/dbraw/zinc/38/02/22/175380222.db2.gz IKOPOJLIWJIEMT-LLVKDONJSA-N 0 3 247.363 3.608 20 0 BHADHN CC(C)C1(C)CCN([C@@H](C)c2ccccn2)CC1 ZINC000186193756 385752438 /nfs/dbraw/zinc/75/24/38/385752438.db2.gz XGQXXOVTKHWONP-AWEZNQCLSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)C1(C)CCN([C@H](C)c2ccccn2)CC1 ZINC000186193774 385751889 /nfs/dbraw/zinc/75/18/89/385751889.db2.gz XGQXXOVTKHWONP-CQSZACIVSA-N 0 3 246.398 3.901 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H](C)CCC2CC2)o1 ZINC000186210332 385747882 /nfs/dbraw/zinc/74/78/82/385747882.db2.gz CJYQJIUAQKWTEQ-CMPLNLGQSA-N 0 3 221.344 3.817 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H](C)CCC2CC2)o1 ZINC000186210342 385747559 /nfs/dbraw/zinc/74/75/59/385747559.db2.gz CJYQJIUAQKWTEQ-JQWIXIFHSA-N 0 3 221.344 3.817 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)CCC2CC2)o1 ZINC000186210357 385747413 /nfs/dbraw/zinc/74/74/13/385747413.db2.gz CJYQJIUAQKWTEQ-ZYHUDNBSSA-N 0 3 221.344 3.817 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)CCC2CC2)o1 ZINC000186210376 385747692 /nfs/dbraw/zinc/74/76/92/385747692.db2.gz CJYQJIUAQKWTEQ-PWSUYJOCSA-N 0 3 221.344 3.817 20 0 BHADHN CC(C)c1nc([C@@H](C)NCC(C)(C)C)cs1 ZINC000186279406 411293291 /nfs/dbraw/zinc/29/32/91/411293291.db2.gz VAPMQDQRDUHHQI-SNVBAGLBSA-N 0 3 240.416 3.963 20 0 BHADHN CC(C)c1nc([C@H](C)NCC(C)(C)C)cs1 ZINC000186279424 411293153 /nfs/dbraw/zinc/29/31/53/411293153.db2.gz VAPMQDQRDUHHQI-JTQLQIEISA-N 0 3 240.416 3.963 20 0 BHADHN Cc1csc([C@@H](C)N[C@@H](C)CCC2CC2)n1 ZINC000186313036 385754368 /nfs/dbraw/zinc/75/43/68/385754368.db2.gz BJSZVYIOWVLENO-GXSJLCMTSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@@H](C)CCC2CC2)n1 ZINC000186313053 259409521 /nfs/dbraw/zinc/40/95/21/259409521.db2.gz BJSZVYIOWVLENO-ONGXEEELSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@@H](C)N[C@H](C)CCC2CC2)n1 ZINC000186313071 385754714 /nfs/dbraw/zinc/75/47/14/385754714.db2.gz BJSZVYIOWVLENO-MWLCHTKSSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@H](C)CCC2CC2)n1 ZINC000186313088 385755160 /nfs/dbraw/zinc/75/51/60/385755160.db2.gz BJSZVYIOWVLENO-KOLCDFICSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@H](N[C@@H](C)CCC1CC1)c1nccs1 ZINC000186348226 385754791 /nfs/dbraw/zinc/75/47/91/385754791.db2.gz GLRDTEUZNMQUKC-JQWIXIFHSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H](N[C@@H](C)CCC1CC1)c1nccs1 ZINC000186348244 385756238 /nfs/dbraw/zinc/75/62/38/385756238.db2.gz GLRDTEUZNMQUKC-CMPLNLGQSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](N[C@H](C)CCC1CC1)c1nccs1 ZINC000186348258 385755582 /nfs/dbraw/zinc/75/55/82/385755582.db2.gz GLRDTEUZNMQUKC-PWSUYJOCSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H](N[C@H](C)CCC1CC1)c1nccs1 ZINC000186348272 385754518 /nfs/dbraw/zinc/75/45/18/385754518.db2.gz GLRDTEUZNMQUKC-ZYHUDNBSSA-N 0 3 238.400 3.763 20 0 BHADHN Cc1cnc([C@@H](C)N[C@@H](C)CCC2CC2)s1 ZINC000186375545 385757199 /nfs/dbraw/zinc/75/71/99/385757199.db2.gz WEPGTCFBUNZEKS-GXSJLCMTSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H](C)CCC2CC2)s1 ZINC000186375561 385757478 /nfs/dbraw/zinc/75/74/78/385757478.db2.gz WEPGTCFBUNZEKS-ONGXEEELSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@@H](C)N[C@H](C)CCC2CC2)s1 ZINC000186375575 385758067 /nfs/dbraw/zinc/75/80/67/385758067.db2.gz WEPGTCFBUNZEKS-MWLCHTKSSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@H](C)N[C@H](C)CCC2CC2)s1 ZINC000186375592 385757521 /nfs/dbraw/zinc/75/75/21/385757521.db2.gz WEPGTCFBUNZEKS-KOLCDFICSA-N 0 3 238.400 3.681 20 0 BHADHN CC(C)c1nc([C@@H](C)NCCC2CC2)cs1 ZINC000186415206 538973466 /nfs/dbraw/zinc/97/34/66/538973466.db2.gz FHJHZYUKHOMXIS-SNVBAGLBSA-N 0 3 238.400 3.717 20 0 BHADHN CC(C)c1nc([C@H](C)NCCC2CC2)cs1 ZINC000186415223 538973548 /nfs/dbraw/zinc/97/35/48/538973548.db2.gz FHJHZYUKHOMXIS-JTQLQIEISA-N 0 3 238.400 3.717 20 0 BHADHN CC1=CCC[C@@H](C)[C@H]1CN(C)Cc1cccnc1 ZINC000186423307 398053843 /nfs/dbraw/zinc/05/38/43/398053843.db2.gz FIUCMHPHPCFLNE-ZBFHGGJFSA-N 0 3 244.382 3.506 20 0 BHADHN CC1=CCC[C@H](C)[C@H]1CN(C)Cc1cccnc1 ZINC000186423324 134416501 /nfs/dbraw/zinc/41/65/01/134416501.db2.gz FIUCMHPHPCFLNE-HOCLYGCPSA-N 0 3 244.382 3.506 20 0 BHADHN CC1=CCC[C@@H](C)[C@@H]1CN(C)Cc1cccnc1 ZINC000186423344 398053686 /nfs/dbraw/zinc/05/36/86/398053686.db2.gz FIUCMHPHPCFLNE-GDBMZVCRSA-N 0 3 244.382 3.506 20 0 BHADHN CC1=CCC[C@H](C)[C@@H]1CN(C)Cc1cccnc1 ZINC000186423361 398053834 /nfs/dbraw/zinc/05/38/34/398053834.db2.gz FIUCMHPHPCFLNE-GOEBONIOSA-N 0 3 244.382 3.506 20 0 BHADHN C[C@@H](CCC1CC1)Nc1cccc(CN(C)C)c1 ZINC000186454123 388599961 /nfs/dbraw/zinc/59/99/61/388599961.db2.gz TYMQDFAECRFKHG-ZDUSSCGKSA-N 0 3 246.398 3.739 20 0 BHADHN C[C@H](CCC1CC1)Nc1cccc(CN(C)C)c1 ZINC000186454140 388599983 /nfs/dbraw/zinc/59/99/83/388599983.db2.gz TYMQDFAECRFKHG-CYBMUJFWSA-N 0 3 246.398 3.739 20 0 BHADHN C[C@H](NC1(Cc2ccccc2)CC1)c1ccoc1 ZINC000186583664 346521885 /nfs/dbraw/zinc/52/18/85/346521885.db2.gz YNADVWMFQHZVLH-ZDUSSCGKSA-N 0 3 241.334 3.706 20 0 BHADHN C[C@@H](NC1(Cc2ccccc2)CC1)c1ccoc1 ZINC000186583683 346521978 /nfs/dbraw/zinc/52/19/78/346521978.db2.gz YNADVWMFQHZVLH-CYBMUJFWSA-N 0 3 241.334 3.706 20 0 BHADHN C[C@H](NC1(Cc2ccccc2)CC1)c1ccco1 ZINC000186586443 384859841 /nfs/dbraw/zinc/85/98/41/384859841.db2.gz QFOKNIAARAHTJB-ZDUSSCGKSA-N 0 3 241.334 3.706 20 0 BHADHN C[C@@H](NC1(Cc2ccccc2)CC1)c1ccco1 ZINC000186586463 384857092 /nfs/dbraw/zinc/85/70/92/384857092.db2.gz QFOKNIAARAHTJB-CYBMUJFWSA-N 0 3 241.334 3.706 20 0 BHADHN C(=C/c1ccccc1)\CN1CCCC2(CC2)C1 ZINC000186607505 388601787 /nfs/dbraw/zinc/60/17/87/388601787.db2.gz FFPORNAPMMLUFK-XBXARRHUSA-N 0 3 227.351 3.576 20 0 BHADHN CC(C)(CC1CCCCCC1)NCc1ncc[nH]1 ZINC000186610196 398069669 /nfs/dbraw/zinc/06/96/69/398069669.db2.gz ICQPXPHDPRMFMV-UHFFFAOYSA-N 0 3 249.402 3.638 20 0 BHADHN Cc1cccc2c1[C@H](C)C[C@@H]2NCCOC(C)C ZINC000186641575 538973874 /nfs/dbraw/zinc/97/38/74/538973874.db2.gz WTRMFVWVUXGGPT-HIFRSBDPSA-N 0 3 247.382 3.558 20 0 BHADHN Cc1cccc2c1[C@@H](C)C[C@@H]2NCCOC(C)C ZINC000186641592 538974032 /nfs/dbraw/zinc/97/40/32/538974032.db2.gz WTRMFVWVUXGGPT-ZFWWWQNUSA-N 0 3 247.382 3.558 20 0 BHADHN Cc1cccc2c1[C@H](C)C[C@H]2NCCOC(C)C ZINC000186641607 538973848 /nfs/dbraw/zinc/97/38/48/538973848.db2.gz WTRMFVWVUXGGPT-UKRRQHHQSA-N 0 3 247.382 3.558 20 0 BHADHN Cc1cccc2c1[C@@H](C)C[C@H]2NCCOC(C)C ZINC000186641625 538973816 /nfs/dbraw/zinc/97/38/16/538973816.db2.gz WTRMFVWVUXGGPT-DZGCQCFKSA-N 0 3 247.382 3.558 20 0 BHADHN Cc1ccc(CN(CCC(C)C)C2CC2)c(C)n1 ZINC000186667818 538973910 /nfs/dbraw/zinc/97/39/10/538973910.db2.gz WDULHTQJKYCROG-UHFFFAOYSA-N 0 3 246.398 3.709 20 0 BHADHN CCC[C@@H](C)N1CCc2[nH]c3ccccc3c2C1 ZINC000186767657 388603772 /nfs/dbraw/zinc/60/37/72/388603772.db2.gz QJWVPAOYLHMCHE-GFCCVEGCSA-N 0 3 242.366 3.715 20 0 BHADHN CCC[C@H](C)N1CCc2[nH]c3ccccc3c2C1 ZINC000186767678 388603650 /nfs/dbraw/zinc/60/36/50/388603650.db2.gz QJWVPAOYLHMCHE-LBPRGKRZSA-N 0 3 242.366 3.715 20 0 BHADHN CSCCCCCN[C@H](C)c1ccc(C)o1 ZINC000186775570 385792054 /nfs/dbraw/zinc/79/20/54/385792054.db2.gz LXJIFFHAMKJTRI-GFCCVEGCSA-N 0 3 241.400 3.772 20 0 BHADHN CSCCCCCN[C@@H](C)c1ccc(C)o1 ZINC000186775589 385793249 /nfs/dbraw/zinc/79/32/49/385793249.db2.gz LXJIFFHAMKJTRI-LBPRGKRZSA-N 0 3 241.400 3.772 20 0 BHADHN CC(C)(NCCCF)c1cccc(Cl)c1F ZINC000186892960 385811596 /nfs/dbraw/zinc/81/15/96/385811596.db2.gz YKBFOJOJURFRGF-UHFFFAOYSA-N 0 3 247.716 3.663 20 0 BHADHN C[C@@H](c1ccccc1F)N1CCCC2(CC2)C1 ZINC000186962554 387156788 /nfs/dbraw/zinc/15/67/88/387156788.db2.gz RPDRYBPKGDHTNU-LBPRGKRZSA-N 0 3 233.330 3.763 20 0 BHADHN C[C@H](c1ccccc1F)N1CCCC2(CC2)C1 ZINC000186962573 387156654 /nfs/dbraw/zinc/15/66/54/387156654.db2.gz RPDRYBPKGDHTNU-GFCCVEGCSA-N 0 3 233.330 3.763 20 0 BHADHN C[C@@H](c1cccc(F)c1)N1CCCC2(CC2)C1 ZINC000186975514 387155250 /nfs/dbraw/zinc/15/52/50/387155250.db2.gz DCYVUZAHQMIXQP-LBPRGKRZSA-N 0 3 233.330 3.763 20 0 BHADHN C[C@H](c1cccc(F)c1)N1CCCC2(CC2)C1 ZINC000186975535 387157237 /nfs/dbraw/zinc/15/72/37/387157237.db2.gz DCYVUZAHQMIXQP-GFCCVEGCSA-N 0 3 233.330 3.763 20 0 BHADHN Fc1ccc2c(c1)[C@H](N1CCCC3(CC3)C1)CC2 ZINC000186991348 387158157 /nfs/dbraw/zinc/15/81/57/387158157.db2.gz ZZGUHZIWAVEOEP-OAHLLOKOSA-N 0 3 245.341 3.689 20 0 BHADHN Fc1ccc2c(c1)[C@@H](N1CCCC3(CC3)C1)CC2 ZINC000186991371 387159934 /nfs/dbraw/zinc/15/99/34/387159934.db2.gz ZZGUHZIWAVEOEP-HNNXBMFYSA-N 0 3 245.341 3.689 20 0 BHADHN C[C@@H](c1ccc(F)cc1)N1CCCC2(CC2)C1 ZINC000186998194 387160159 /nfs/dbraw/zinc/16/01/59/387160159.db2.gz ZANPOWNQTJQRJX-LBPRGKRZSA-N 0 3 233.330 3.763 20 0 BHADHN C[C@H](c1ccc(F)cc1)N1CCCC2(CC2)C1 ZINC000186998211 387158197 /nfs/dbraw/zinc/15/81/97/387158197.db2.gz ZANPOWNQTJQRJX-GFCCVEGCSA-N 0 3 233.330 3.763 20 0 BHADHN CCCc1cccc(CNCc2cccs2)c1 ZINC000187097200 388606106 /nfs/dbraw/zinc/60/61/06/388606106.db2.gz XVRMUSKQLOOSTJ-UHFFFAOYSA-N 0 3 245.391 3.990 20 0 BHADHN CCCc1cccc(CNCc2ccsc2)c1 ZINC000187122954 388605907 /nfs/dbraw/zinc/60/59/07/388605907.db2.gz OFQHLIDQAVWSDK-UHFFFAOYSA-N 0 3 245.391 3.990 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2ccccc2)c(C)n1 ZINC000187400516 387194688 /nfs/dbraw/zinc/19/46/88/387194688.db2.gz LSWGAVNAYCGAKY-ZDUSSCGKSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(CN[C@H](C)c2ccccc2)c(C)n1 ZINC000187400530 387195663 /nfs/dbraw/zinc/19/56/63/387195663.db2.gz LSWGAVNAYCGAKY-CYBMUJFWSA-N 0 3 240.350 3.549 20 0 BHADHN CCCCCC[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000187670466 384972819 /nfs/dbraw/zinc/97/28/19/384972819.db2.gz SSJKGEOGDCWTHH-OCCSQVGLSA-N 0 3 249.402 3.795 20 0 BHADHN CCCCCC[C@H](C)N[C@@H](C)c1nccnc1C ZINC000187670481 384971306 /nfs/dbraw/zinc/97/13/06/384971306.db2.gz SSJKGEOGDCWTHH-JSGCOSHPSA-N 0 3 249.402 3.795 20 0 BHADHN CCCCCC[C@@H](C)N[C@H](C)c1nccnc1C ZINC000187670502 384971800 /nfs/dbraw/zinc/97/18/00/384971800.db2.gz SSJKGEOGDCWTHH-TZMCWYRMSA-N 0 3 249.402 3.795 20 0 BHADHN CCCCCC[C@H](C)N[C@H](C)c1nccnc1C ZINC000187670521 384973690 /nfs/dbraw/zinc/97/36/90/384973690.db2.gz SSJKGEOGDCWTHH-GXTWGEPZSA-N 0 3 249.402 3.795 20 0 BHADHN Cc1nccnc1[C@@H](C)N[C@@H](C)CCCC(C)C ZINC000187673480 180282337 /nfs/dbraw/zinc/28/23/37/180282337.db2.gz OFGWETMKNKFZAH-GXTWGEPZSA-N 0 3 249.402 3.650 20 0 BHADHN Cc1nccnc1[C@H](C)N[C@@H](C)CCCC(C)C ZINC000187673499 180283721 /nfs/dbraw/zinc/28/37/21/180283721.db2.gz OFGWETMKNKFZAH-JSGCOSHPSA-N 0 3 249.402 3.650 20 0 BHADHN Cc1nccnc1[C@@H](C)N[C@H](C)CCCC(C)C ZINC000187673518 180282777 /nfs/dbraw/zinc/28/27/77/180282777.db2.gz OFGWETMKNKFZAH-TZMCWYRMSA-N 0 3 249.402 3.650 20 0 BHADHN Cc1nccnc1[C@H](C)N[C@H](C)CCCC(C)C ZINC000187673536 180283675 /nfs/dbraw/zinc/28/36/75/180283675.db2.gz OFGWETMKNKFZAH-OCCSQVGLSA-N 0 3 249.402 3.650 20 0 BHADHN Cc1nccnc1[C@@H](C)NC1CCCCCCC1 ZINC000187677514 180280719 /nfs/dbraw/zinc/28/07/19/180280719.db2.gz RCSXWZZVWKEMMN-CYBMUJFWSA-N 0 3 247.386 3.549 20 0 BHADHN Cc1nccnc1[C@H](C)NC1CCCCCCC1 ZINC000187677535 180281346 /nfs/dbraw/zinc/28/13/46/180281346.db2.gz RCSXWZZVWKEMMN-ZDUSSCGKSA-N 0 3 247.386 3.549 20 0 BHADHN c1csc(SCCCN2CCCCC2)c1 ZINC000187680723 388610821 /nfs/dbraw/zinc/61/08/21/388610821.db2.gz QROQFRLCCAESLX-UHFFFAOYSA-N 0 3 241.425 3.716 20 0 BHADHN CCCC[C@@H](CC)CN[C@@H](C)c1nccnc1C ZINC000187681275 357518261 /nfs/dbraw/zinc/51/82/61/357518261.db2.gz OCCKGVDLHTVCBS-UONOGXRCSA-N 0 3 249.402 3.652 20 0 BHADHN CCCC[C@H](CC)CN[C@@H](C)c1nccnc1C ZINC000187681295 357518348 /nfs/dbraw/zinc/51/83/48/357518348.db2.gz OCCKGVDLHTVCBS-KBPBESRZSA-N 0 3 249.402 3.652 20 0 BHADHN CCCC[C@@H](CC)CN[C@H](C)c1nccnc1C ZINC000187681311 357518268 /nfs/dbraw/zinc/51/82/68/357518268.db2.gz OCCKGVDLHTVCBS-ZIAGYGMSSA-N 0 3 249.402 3.652 20 0 BHADHN CCCC[C@H](CC)CN[C@H](C)c1nccnc1C ZINC000187681330 357518222 /nfs/dbraw/zinc/51/82/22/357518222.db2.gz OCCKGVDLHTVCBS-KGLIPLIRSA-N 0 3 249.402 3.652 20 0 BHADHN C[C@@H](CNCc1ccoc1)c1cccc(Cl)c1 ZINC000187703311 384196034 /nfs/dbraw/zinc/19/60/34/384196034.db2.gz RGULGJOKMXYERN-NSHDSACASA-N 0 3 249.741 3.826 20 0 BHADHN C[C@H](CNCc1ccoc1)c1cccc(Cl)c1 ZINC000187703330 384196144 /nfs/dbraw/zinc/19/61/44/384196144.db2.gz RGULGJOKMXYERN-LLVKDONJSA-N 0 3 249.741 3.826 20 0 BHADHN CCN(C/C=C/Cl)[C@@H](C)Cc1ccsc1 ZINC000187792260 640927939 /nfs/dbraw/zinc/92/79/39/640927939.db2.gz FLAWWPAAHGAPIJ-MALLOTDXSA-N 0 3 243.803 3.754 20 0 BHADHN CCN(C/C=C/Cl)[C@H](C)Cc1ccsc1 ZINC000187792280 640927844 /nfs/dbraw/zinc/92/78/44/640927844.db2.gz FLAWWPAAHGAPIJ-DUMNWFOQSA-N 0 3 243.803 3.754 20 0 BHADHN CCC[C@H](NCCOC(C)C)c1ccsc1 ZINC000187915767 386733148 /nfs/dbraw/zinc/73/31/48/386733148.db2.gz DVIRIIYBAJUZOG-ZDUSSCGKSA-N 0 3 241.400 3.604 20 0 BHADHN CCC[C@@H](NCCOC(C)C)c1ccsc1 ZINC000187915796 169401162 /nfs/dbraw/zinc/40/11/62/169401162.db2.gz DVIRIIYBAJUZOG-CYBMUJFWSA-N 0 3 241.400 3.604 20 0 BHADHN Cc1nccnc1[C@@H](C)NCCCCC(C)(C)C ZINC000187952149 180280725 /nfs/dbraw/zinc/28/07/25/180280725.db2.gz OZMIRPRDFJMINF-GFCCVEGCSA-N 0 3 249.402 3.652 20 0 BHADHN Cc1nccnc1[C@H](C)NCCCCC(C)(C)C ZINC000187952178 180281737 /nfs/dbraw/zinc/28/17/37/180281737.db2.gz OZMIRPRDFJMINF-LBPRGKRZSA-N 0 3 249.402 3.652 20 0 BHADHN C[C@@H](CCN[C@@H](C)c1cnccn1)CC(C)(C)C ZINC000188031198 491060761 /nfs/dbraw/zinc/06/07/61/491060761.db2.gz DQDXGMKJEVJSFH-STQMWFEESA-N 0 3 249.402 3.590 20 0 BHADHN C[C@H](CCN[C@@H](C)c1cnccn1)CC(C)(C)C ZINC000188031218 491060759 /nfs/dbraw/zinc/06/07/59/491060759.db2.gz DQDXGMKJEVJSFH-OLZOCXBDSA-N 0 3 249.402 3.590 20 0 BHADHN C[C@@H](CCN[C@H](C)c1cnccn1)CC(C)(C)C ZINC000188031244 491060751 /nfs/dbraw/zinc/06/07/51/491060751.db2.gz DQDXGMKJEVJSFH-QWHCGFSZSA-N 0 3 249.402 3.590 20 0 BHADHN C[C@@H](NCC[C@@H](C)CC(C)(C)C)c1cnccn1 ZINC000188031271 397881472 /nfs/dbraw/zinc/88/14/72/397881472.db2.gz DQDXGMKJEVJSFH-CHWSQXEVSA-N 0 3 249.402 3.590 20 0 BHADHN Cc1nccnc1[C@@H](C)N[C@@H](C)CCC(C)(C)C ZINC000188038566 180282272 /nfs/dbraw/zinc/28/22/72/180282272.db2.gz HVDRZFQLYVTGBT-WCQYABFASA-N 0 3 249.402 3.650 20 0 BHADHN Cc1nccnc1[C@H](C)N[C@@H](C)CCC(C)(C)C ZINC000188038583 180283940 /nfs/dbraw/zinc/28/39/40/180283940.db2.gz HVDRZFQLYVTGBT-AAEUAGOBSA-N 0 3 249.402 3.650 20 0 BHADHN Cc1nccnc1[C@@H](C)N[C@H](C)CCC(C)(C)C ZINC000188038609 180282619 /nfs/dbraw/zinc/28/26/19/180282619.db2.gz HVDRZFQLYVTGBT-DGCLKSJQSA-N 0 3 249.402 3.650 20 0 BHADHN Cc1nccnc1[C@H](C)N[C@H](C)CCC(C)(C)C ZINC000188038626 180283232 /nfs/dbraw/zinc/28/32/32/180283232.db2.gz HVDRZFQLYVTGBT-YPMHNXCESA-N 0 3 249.402 3.650 20 0 BHADHN CCCC[C@@H](CCC)N[C@@H](C)c1nccnc1C ZINC000188110792 384360407 /nfs/dbraw/zinc/36/04/07/384360407.db2.gz WNKNGTWMTUCIJH-UONOGXRCSA-N 0 3 249.402 3.795 20 0 BHADHN CCCC[C@H](CCC)N[C@@H](C)c1nccnc1C ZINC000188110814 169001854 /nfs/dbraw/zinc/00/18/54/169001854.db2.gz WNKNGTWMTUCIJH-KBPBESRZSA-N 0 3 249.402 3.795 20 0 BHADHN CCCC[C@@H](CCC)N[C@H](C)c1nccnc1C ZINC000188110839 384360004 /nfs/dbraw/zinc/36/00/04/384360004.db2.gz WNKNGTWMTUCIJH-ZIAGYGMSSA-N 0 3 249.402 3.795 20 0 BHADHN CCCC[C@H](CCC)N[C@H](C)c1nccnc1C ZINC000188110868 169002319 /nfs/dbraw/zinc/00/23/19/169002319.db2.gz WNKNGTWMTUCIJH-KGLIPLIRSA-N 0 3 249.402 3.795 20 0 BHADHN CC(C)c1csc(CNCCC(C)(C)C)n1 ZINC000188141273 386254311 /nfs/dbraw/zinc/25/43/11/386254311.db2.gz LNRNVEXJMWGQGC-UHFFFAOYSA-N 0 3 240.416 3.792 20 0 BHADHN CC(C)(C)CCNCc1nc(C2CC2)cs1 ZINC000188151035 386264906 /nfs/dbraw/zinc/26/49/06/386264906.db2.gz QXWRKLRGSGACOJ-UHFFFAOYSA-N 0 3 238.400 3.546 20 0 BHADHN Cc1nccnc1[C@@H](C)NCC(C)(C)CC(C)C ZINC000188228422 180280510 /nfs/dbraw/zinc/28/05/10/180280510.db2.gz FJIMJVMLSKOBQS-CYBMUJFWSA-N 0 3 249.402 3.508 20 0 BHADHN Cc1nccnc1[C@H](C)NCC(C)(C)CC(C)C ZINC000188228446 180282389 /nfs/dbraw/zinc/28/23/89/180282389.db2.gz FJIMJVMLSKOBQS-ZDUSSCGKSA-N 0 3 249.402 3.508 20 0 BHADHN CCC(CC)(CC)CN[C@@H](C)c1nccnc1C ZINC000188232737 168315524 /nfs/dbraw/zinc/31/55/24/168315524.db2.gz MPDABJQHOXAIND-ZDUSSCGKSA-N 0 3 249.402 3.652 20 0 BHADHN CCC(CC)(CC)CN[C@H](C)c1nccnc1C ZINC000188232762 168316231 /nfs/dbraw/zinc/31/62/31/168316231.db2.gz MPDABJQHOXAIND-CYBMUJFWSA-N 0 3 249.402 3.652 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cnc2ccsc2c1 ZINC000188441556 188348678 /nfs/dbraw/zinc/34/86/78/188348678.db2.gz HZUGASXYZATORT-NSHDSACASA-N 0 3 246.379 3.913 20 0 BHADHN CC(C)=CCN[C@H](C)c1cnc2ccsc2c1 ZINC000188441584 191129068 /nfs/dbraw/zinc/12/90/68/191129068.db2.gz HZUGASXYZATORT-LLVKDONJSA-N 0 3 246.379 3.913 20 0 BHADHN CC(C)=CCN[C@@H]1CCCc2sccc21 ZINC000188442317 386525326 /nfs/dbraw/zinc/52/53/26/386525326.db2.gz XWDZUZSCALGVLR-GFCCVEGCSA-N 0 3 221.369 3.681 20 0 BHADHN CC(C)=CCN[C@H]1CCCc2sccc21 ZINC000188442341 386524547 /nfs/dbraw/zinc/52/45/47/386524547.db2.gz XWDZUZSCALGVLR-LBPRGKRZSA-N 0 3 221.369 3.681 20 0 BHADHN CC(C)=CCN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000188443296 385051962 /nfs/dbraw/zinc/05/19/62/385051962.db2.gz YCHQJOICRQEXGN-GFCCVEGCSA-N 0 3 249.402 3.563 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000188443320 385050918 /nfs/dbraw/zinc/05/09/18/385050918.db2.gz YCHQJOICRQEXGN-LBPRGKRZSA-N 0 3 249.402 3.563 20 0 BHADHN CCc1nc(C)c([C@@H](C)NCC=C(C)C)s1 ZINC000188443892 353148460 /nfs/dbraw/zinc/14/84/60/353148460.db2.gz PFWNDTNWZLOVKP-SNVBAGLBSA-N 0 3 238.400 3.631 20 0 BHADHN CCc1nc(C)c([C@H](C)NCC=C(C)C)s1 ZINC000188443914 353148468 /nfs/dbraw/zinc/14/84/68/353148468.db2.gz PFWNDTNWZLOVKP-JTQLQIEISA-N 0 3 238.400 3.631 20 0 BHADHN CC(C)=CCN[C@@H]1CCCOc2cc(F)ccc21 ZINC000188445008 357554199 /nfs/dbraw/zinc/55/41/99/357554199.db2.gz JRVTUAHDWHYVAQ-CQSZACIVSA-N 0 3 249.329 3.595 20 0 BHADHN CC(C)=CCN[C@H]1CCCOc2cc(F)ccc21 ZINC000188445029 357554556 /nfs/dbraw/zinc/55/45/56/357554556.db2.gz JRVTUAHDWHYVAQ-AWEZNQCLSA-N 0 3 249.329 3.595 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccc2ccccc2n1 ZINC000188445617 259406016 /nfs/dbraw/zinc/40/60/16/259406016.db2.gz PFFBVGSYVPPTIA-ZDUSSCGKSA-N 0 3 240.350 3.852 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccc2ccccc2n1 ZINC000188445637 259406047 /nfs/dbraw/zinc/40/60/47/259406047.db2.gz PFFBVGSYVPPTIA-CYBMUJFWSA-N 0 3 240.350 3.852 20 0 BHADHN CC(C)=CCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000188460133 357555447 /nfs/dbraw/zinc/55/54/47/357555447.db2.gz XWAYXIMOKHFOFW-CQSZACIVSA-N 0 3 249.329 3.595 20 0 BHADHN CC(C)=CCN[C@H]1CCCOc2ccc(F)cc21 ZINC000188460161 357555169 /nfs/dbraw/zinc/55/51/69/357555169.db2.gz XWAYXIMOKHFOFW-AWEZNQCLSA-N 0 3 249.329 3.595 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000188460193 386658453 /nfs/dbraw/zinc/65/84/53/386658453.db2.gz GSMMYKCAUKTBCZ-JTQLQIEISA-N 0 3 225.282 3.582 20 0 BHADHN CC(C)=CCN[C@H](C)c1cc(F)cc(F)c1 ZINC000188460217 386659403 /nfs/dbraw/zinc/65/94/03/386659403.db2.gz GSMMYKCAUKTBCZ-SNVBAGLBSA-N 0 3 225.282 3.582 20 0 BHADHN CC(C)=CCN[C@H](C)c1sccc1C ZINC000188460501 386658285 /nfs/dbraw/zinc/65/82/85/386658285.db2.gz HAYMFZGLFWIKSY-LLVKDONJSA-N 0 3 209.358 3.673 20 0 BHADHN CC(C)=CCN[C@@H](C)c1sccc1C ZINC000188460524 386660081 /nfs/dbraw/zinc/66/00/81/386660081.db2.gz HAYMFZGLFWIKSY-NSHDSACASA-N 0 3 209.358 3.673 20 0 BHADHN CCC1(CC)CCN(Cc2cncs2)CC1 ZINC000188660694 134941635 /nfs/dbraw/zinc/94/16/35/134941635.db2.gz ZNYZROKGIMIMGO-UHFFFAOYSA-N 0 3 238.400 3.545 20 0 BHADHN c1coc(CN2CCC(c3ccsc3)CC2)c1 ZINC000188693743 385080769 /nfs/dbraw/zinc/08/07/69/385080769.db2.gz OCRPORNPLXYFHI-UHFFFAOYSA-N 0 3 247.363 3.721 20 0 BHADHN CC(C)C(C)(C)CN[C@@H](C)c1ccco1 ZINC000188709461 387084609 /nfs/dbraw/zinc/08/46/09/387084609.db2.gz LOHVHIQNGNSZQE-NSHDSACASA-N 0 3 209.333 3.612 20 0 BHADHN CC(C)C(C)(C)CN[C@H](C)c1ccco1 ZINC000188709482 387085077 /nfs/dbraw/zinc/08/50/77/387085077.db2.gz LOHVHIQNGNSZQE-LLVKDONJSA-N 0 3 209.333 3.612 20 0 BHADHN c1nc(CNC2CCC3(CCCCC3)CC2)co1 ZINC000188790517 259369987 /nfs/dbraw/zinc/36/99/87/259369987.db2.gz GBLZNLAKTQZVHH-UHFFFAOYSA-N 0 3 248.370 3.657 20 0 BHADHN FC(F)(F)c1cc(Cl)cc(CNC2CC2)c1 ZINC000188981996 487946457 /nfs/dbraw/zinc/94/64/57/487946457.db2.gz INCHREXDGBIXQE-UHFFFAOYSA-N 0 3 249.663 3.611 20 0 BHADHN Fc1ccccc1CN[C@@H]1CCC12CCCC2 ZINC000189037807 357601635 /nfs/dbraw/zinc/60/16/35/357601635.db2.gz QBMNAMYUQIBEPH-CQSZACIVSA-N 0 3 233.330 3.638 20 0 BHADHN Fc1ccccc1CN[C@H]1CCC12CCCC2 ZINC000189037827 357602338 /nfs/dbraw/zinc/60/23/38/357602338.db2.gz QBMNAMYUQIBEPH-AWEZNQCLSA-N 0 3 233.330 3.638 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CCC23CCCC3)o1 ZINC000189042879 357601944 /nfs/dbraw/zinc/60/19/44/357601944.db2.gz KTGJXTFDFVUJRB-TZMCWYRMSA-N 0 3 233.355 3.961 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CCC23CCCC3)o1 ZINC000189042899 357601896 /nfs/dbraw/zinc/60/18/96/357601896.db2.gz KTGJXTFDFVUJRB-GXTWGEPZSA-N 0 3 233.355 3.961 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2CCC23CCCC3)o1 ZINC000189042919 134540021 /nfs/dbraw/zinc/54/00/21/134540021.db2.gz KTGJXTFDFVUJRB-OCCSQVGLSA-N 0 3 233.355 3.961 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CCC23CCCC3)o1 ZINC000189042942 357602219 /nfs/dbraw/zinc/60/22/19/357602219.db2.gz KTGJXTFDFVUJRB-JSGCOSHPSA-N 0 3 233.355 3.961 20 0 BHADHN C[C@H](N[C@@H]1CCC12CCCC2)c1nccs1 ZINC000189115886 353279856 /nfs/dbraw/zinc/27/98/56/353279856.db2.gz MAGDJHJQMYYMEV-WDEREUQCSA-N 0 3 236.384 3.517 20 0 BHADHN C[C@H](N[C@H]1CCC12CCCC2)c1nccs1 ZINC000189115930 353280229 /nfs/dbraw/zinc/28/02/29/353280229.db2.gz MAGDJHJQMYYMEV-QWRGUYRKSA-N 0 3 236.384 3.517 20 0 BHADHN Cc1cncc(CN(C)[C@@H](C)c2ccccc2)c1 ZINC000189761874 385184095 /nfs/dbraw/zinc/18/40/95/385184095.db2.gz ITLDVTABSMTJIM-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cncc(CN(C)[C@H](C)c2ccccc2)c1 ZINC000189761893 385182871 /nfs/dbraw/zinc/18/28/71/385182871.db2.gz ITLDVTABSMTJIM-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cncc(CN2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000189763185 386105001 /nfs/dbraw/zinc/10/50/01/386105001.db2.gz FLECTBQCWRLSDO-CVEARBPZSA-N 0 3 244.382 3.545 20 0 BHADHN Cc1cncc(CN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000189763201 386104484 /nfs/dbraw/zinc/10/44/84/386104484.db2.gz FLECTBQCWRLSDO-HOTGVXAUSA-N 0 3 244.382 3.545 20 0 BHADHN Cc1nc([C@@H]2CCCN2CCC(C)C)cs1 ZINC000189764893 357668149 /nfs/dbraw/zinc/66/81/49/357668149.db2.gz PHAGNRKRRYOJSY-ZDUSSCGKSA-N 0 3 238.400 3.635 20 0 BHADHN Cc1nc([C@H]2CCCN2CCC(C)C)cs1 ZINC000189764909 357668142 /nfs/dbraw/zinc/66/81/42/357668142.db2.gz PHAGNRKRRYOJSY-CYBMUJFWSA-N 0 3 238.400 3.635 20 0 BHADHN CC[C@@H](C)CN1CCC[C@@H]1c1csc(C)n1 ZINC000189808329 357672221 /nfs/dbraw/zinc/67/22/21/357672221.db2.gz GBYYECZWNGSNND-ZWNOBZJWSA-N 0 3 238.400 3.635 20 0 BHADHN CC[C@H](C)CN1CCC[C@@H]1c1csc(C)n1 ZINC000189808348 357672157 /nfs/dbraw/zinc/67/21/57/357672157.db2.gz GBYYECZWNGSNND-GXFFZTMASA-N 0 3 238.400 3.635 20 0 BHADHN Cc1nc([C@@H]2CCCN2C2CCCC2)cs1 ZINC000189837687 357673551 /nfs/dbraw/zinc/67/35/51/357673551.db2.gz UYPWMCUFBFGYTP-ZDUSSCGKSA-N 0 3 236.384 3.531 20 0 BHADHN Cc1nc([C@H]2CCCN2C2CCCC2)cs1 ZINC000189837704 347311882 /nfs/dbraw/zinc/31/18/82/347311882.db2.gz UYPWMCUFBFGYTP-CYBMUJFWSA-N 0 3 236.384 3.531 20 0 BHADHN Cc1nc([C@@H]2CCCN2CC(C)(C)C)cs1 ZINC000189919973 357676674 /nfs/dbraw/zinc/67/66/74/357676674.db2.gz LPGGNWXJWMJCCE-LBPRGKRZSA-N 0 3 238.400 3.635 20 0 BHADHN Cc1nc([C@H]2CCCN2CC(C)(C)C)cs1 ZINC000189919991 357676719 /nfs/dbraw/zinc/67/67/19/357676719.db2.gz LPGGNWXJWMJCCE-GFCCVEGCSA-N 0 3 238.400 3.635 20 0 BHADHN CCC(C)(C)CN[C@@H](C)c1ccc(C)o1 ZINC000189992079 385203640 /nfs/dbraw/zinc/20/36/40/385203640.db2.gz AUHUNCCKMOQBOT-NSHDSACASA-N 0 3 209.333 3.675 20 0 BHADHN CCC(C)(C)CN[C@H](C)c1ccc(C)o1 ZINC000189992097 386140551 /nfs/dbraw/zinc/14/05/51/386140551.db2.gz AUHUNCCKMOQBOT-LLVKDONJSA-N 0 3 209.333 3.675 20 0 BHADHN CCC(=O)CCN1CCCCC[C@@H]1c1ccco1 ZINC000190240962 168202046 /nfs/dbraw/zinc/20/20/46/168202046.db2.gz PEIMWWOETVJWBK-CQSZACIVSA-N 0 3 249.354 3.566 20 0 BHADHN CCC(=O)CCN1CCCCC[C@H]1c1ccco1 ZINC000190240986 168203876 /nfs/dbraw/zinc/20/38/76/168203876.db2.gz PEIMWWOETVJWBK-AWEZNQCLSA-N 0 3 249.354 3.566 20 0 BHADHN Cc1ccc([C@@H](C)N(C)C[C@@H]2CC[C@H](C)O2)cc1 ZINC000190390030 357705214 /nfs/dbraw/zinc/70/52/14/357705214.db2.gz CXZRXRJNOUXPTP-LZWOXQAQSA-N 0 3 247.382 3.555 20 0 BHADHN Cc1ccc([C@H](C)N(C)C[C@@H]2CC[C@H](C)O2)cc1 ZINC000190390043 357705202 /nfs/dbraw/zinc/70/52/02/357705202.db2.gz CXZRXRJNOUXPTP-DZKIICNBSA-N 0 3 247.382 3.555 20 0 BHADHN C[C@@H]1CCN(C/C=C/c2ccccc2)CCS1 ZINC000190685873 386546533 /nfs/dbraw/zinc/54/65/33/386546533.db2.gz AEMLITQYVWGIEZ-LHRNQBEKSA-N 0 3 247.407 3.527 20 0 BHADHN C[C@H]1CCN(C/C=C/c2ccccc2)CCS1 ZINC000190685893 386547161 /nfs/dbraw/zinc/54/71/61/386547161.db2.gz AEMLITQYVWGIEZ-GPAKFWEMSA-N 0 3 247.407 3.527 20 0 BHADHN Cc1cc(C(F)(F)F)ccc1CN(C)C1CC1 ZINC000191049035 323184724 /nfs/dbraw/zinc/18/47/24/323184724.db2.gz NPZJZPFMSKZQHC-UHFFFAOYSA-N 0 3 243.272 3.608 20 0 BHADHN C[C@@H](CCNCc1ccccn1)CC(C)(C)C ZINC000191116445 386756807 /nfs/dbraw/zinc/75/68/07/386756807.db2.gz YUSVHXXIDDMAHE-ZDUSSCGKSA-N 0 3 234.387 3.634 20 0 BHADHN C[C@H](CCNCc1ccccn1)CC(C)(C)C ZINC000191116462 386756706 /nfs/dbraw/zinc/75/67/06/386756706.db2.gz YUSVHXXIDDMAHE-CYBMUJFWSA-N 0 3 234.387 3.634 20 0 BHADHN C[C@@H](CCNCc1cscn1)CC(C)(C)C ZINC000191116915 386757888 /nfs/dbraw/zinc/75/78/88/386757888.db2.gz VYLLSXXARHFFEV-NSHDSACASA-N 0 3 240.416 3.695 20 0 BHADHN C[C@H](CCNCc1cscn1)CC(C)(C)C ZINC000191116931 386757749 /nfs/dbraw/zinc/75/77/49/386757749.db2.gz VYLLSXXARHFFEV-LLVKDONJSA-N 0 3 240.416 3.695 20 0 BHADHN C[C@@H](CCNCc1cncs1)CC(C)(C)C ZINC000191117706 219910705 /nfs/dbraw/zinc/91/07/05/219910705.db2.gz CYFRVHFKYPJTOF-NSHDSACASA-N 0 3 240.416 3.695 20 0 BHADHN C[C@H](CCNCc1cncs1)CC(C)(C)C ZINC000191117724 386754500 /nfs/dbraw/zinc/75/45/00/386754500.db2.gz CYFRVHFKYPJTOF-LLVKDONJSA-N 0 3 240.416 3.695 20 0 BHADHN CCC[C@H](NCc1cccnc1)c1ccsc1 ZINC000191180567 385289261 /nfs/dbraw/zinc/28/92/61/385289261.db2.gz OOXXUJMIDMTLHI-AWEZNQCLSA-N 0 3 246.379 3.774 20 0 BHADHN CCC[C@@H](NCc1cccnc1)c1ccsc1 ZINC000191180586 385288935 /nfs/dbraw/zinc/28/89/35/385288935.db2.gz OOXXUJMIDMTLHI-CQSZACIVSA-N 0 3 246.379 3.774 20 0 BHADHN CSCCCN[C@@H](C)c1csc(Cl)c1 ZINC000191296890 355384304 /nfs/dbraw/zinc/38/43/04/355384304.db2.gz LIJMHTBWLTZVPV-QMMMGPOBSA-N 0 3 249.832 3.805 20 0 BHADHN CSCCCN[C@H](C)c1csc(Cl)c1 ZINC000191296907 135512552 /nfs/dbraw/zinc/51/25/52/135512552.db2.gz LIJMHTBWLTZVPV-MRVPVSSYSA-N 0 3 249.832 3.805 20 0 BHADHN CSC[C@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000191297748 386847254 /nfs/dbraw/zinc/84/72/54/386847254.db2.gz ZJFZLISUQLDEDW-YUMQZZPRSA-N 0 3 249.832 3.804 20 0 BHADHN CSC[C@@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000191297764 386847713 /nfs/dbraw/zinc/84/77/13/386847713.db2.gz ZJFZLISUQLDEDW-SFYZADRCSA-N 0 3 249.832 3.804 20 0 BHADHN CSC[C@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000191297779 386846875 /nfs/dbraw/zinc/84/68/75/386846875.db2.gz ZJFZLISUQLDEDW-JGVFFNPUSA-N 0 3 249.832 3.804 20 0 BHADHN CSC[C@@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000191297794 386846888 /nfs/dbraw/zinc/84/68/88/386846888.db2.gz ZJFZLISUQLDEDW-HTQZYQBOSA-N 0 3 249.832 3.804 20 0 BHADHN CS[C@@H](C)CN[C@@H](C)c1csc(Cl)c1 ZINC000191390039 387306875 /nfs/dbraw/zinc/30/68/75/387306875.db2.gz GWNFEHBHFMQBKI-YUMQZZPRSA-N 0 3 249.832 3.804 20 0 BHADHN CS[C@H](C)CN[C@@H](C)c1csc(Cl)c1 ZINC000191390056 386946965 /nfs/dbraw/zinc/94/69/65/386946965.db2.gz GWNFEHBHFMQBKI-SFYZADRCSA-N 0 3 249.832 3.804 20 0 BHADHN CS[C@@H](C)CN[C@H](C)c1csc(Cl)c1 ZINC000191390071 386946765 /nfs/dbraw/zinc/94/67/65/386946765.db2.gz GWNFEHBHFMQBKI-JGVFFNPUSA-N 0 3 249.832 3.804 20 0 BHADHN CS[C@H](C)CN[C@H](C)c1csc(Cl)c1 ZINC000191390086 386946455 /nfs/dbraw/zinc/94/64/55/386946455.db2.gz GWNFEHBHFMQBKI-HTQZYQBOSA-N 0 3 249.832 3.804 20 0 BHADHN Cc1ccc(N[C@@H](C)C(C)C)c(CN(C)C)c1 ZINC000191453572 388662891 /nfs/dbraw/zinc/66/28/91/388662891.db2.gz MISLUOBHCPNIJP-ZDUSSCGKSA-N 0 3 234.387 3.513 20 0 BHADHN Cc1ccc(N[C@H](C)C(C)C)c(CN(C)C)c1 ZINC000191453590 388663279 /nfs/dbraw/zinc/66/32/79/388663279.db2.gz MISLUOBHCPNIJP-CYBMUJFWSA-N 0 3 234.387 3.513 20 0 BHADHN CC(C)=CCNCc1ccc(OC(C)C)cc1 ZINC000191627378 205937751 /nfs/dbraw/zinc/93/77/51/205937751.db2.gz BXPZLPQFWIFPPM-UHFFFAOYSA-N 0 3 233.355 3.530 20 0 BHADHN CC(C)=CCNC/C(C)=C/c1ccccc1 ZINC000191630559 323192038 /nfs/dbraw/zinc/19/20/38/323192038.db2.gz WOQNJUZFJILPAB-SDNWHVSQSA-N 0 3 215.340 3.646 20 0 BHADHN CC(C)=CCNCc1ccccc1OC(C)C ZINC000191630745 323192099 /nfs/dbraw/zinc/19/20/99/323192099.db2.gz SUCGOMCGVWJROG-UHFFFAOYSA-N 0 3 233.355 3.530 20 0 BHADHN CC(C)=CCNCc1cccc(OC(C)C)c1 ZINC000191631318 398302205 /nfs/dbraw/zinc/30/22/05/398302205.db2.gz QUALFPKQUCNWJL-UHFFFAOYSA-N 0 3 233.355 3.530 20 0 BHADHN CC(C)=CCNCc1ccc2nc(C)ccc2c1 ZINC000191632111 398301991 /nfs/dbraw/zinc/30/19/91/398301991.db2.gz ROJUEZLVDGJYJH-UHFFFAOYSA-N 0 3 240.350 3.599 20 0 BHADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000191644416 386987430 /nfs/dbraw/zinc/98/74/30/386987430.db2.gz QUGWOUWJEDVUJU-SRVKXCTJSA-N 0 3 247.338 3.507 20 0 BHADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000191644436 385313700 /nfs/dbraw/zinc/31/37/00/385313700.db2.gz QUGWOUWJEDVUJU-TUAOUCFPSA-N 0 3 247.338 3.507 20 0 BHADHN CC(C)C(CN[C@@H](C)c1nccs1)C(C)C ZINC000191702253 387052322 /nfs/dbraw/zinc/05/23/22/387052322.db2.gz RDEPUQAYNBYBIY-NSHDSACASA-N 0 3 240.416 3.722 20 0 BHADHN CC(C)C(CN[C@H](C)c1nccs1)C(C)C ZINC000191702265 387052229 /nfs/dbraw/zinc/05/22/29/387052229.db2.gz RDEPUQAYNBYBIY-LLVKDONJSA-N 0 3 240.416 3.722 20 0 BHADHN CCCC1CCC(N(C)Cc2c[nH]nc2C)CC1 ZINC000191808079 357798142 /nfs/dbraw/zinc/79/81/42/357798142.db2.gz ZVXTWADPWYLSKN-UHFFFAOYSA-N 0 3 249.402 3.509 20 0 BHADHN C[C@@H]1CCSCCN1C/C=C/c1ccccc1 ZINC000191819434 259579289 /nfs/dbraw/zinc/57/92/89/259579289.db2.gz QIBTXOXDZDEYSX-LHRNQBEKSA-N 0 3 247.407 3.527 20 0 BHADHN C[C@H]1CCSCCN1C/C=C/c1ccccc1 ZINC000191819447 388670813 /nfs/dbraw/zinc/67/08/13/388670813.db2.gz QIBTXOXDZDEYSX-GPAKFWEMSA-N 0 3 247.407 3.527 20 0 BHADHN CC(C)c1cccc2c1CCN(CCCF)C2 ZINC000191892121 357802099 /nfs/dbraw/zinc/80/20/99/357802099.db2.gz UDTBKOMHGUSZCQ-UHFFFAOYSA-N 0 3 235.346 3.528 20 0 BHADHN CCCCCN(Cc1cocn1)[C@@H](C)CCC ZINC000191937185 386723754 /nfs/dbraw/zinc/72/37/54/386723754.db2.gz JGZQHCYYLFEXJK-ZDUSSCGKSA-N 0 3 238.375 3.855 20 0 BHADHN CCCCCN(Cc1cocn1)[C@H](C)CCC ZINC000191937195 386724019 /nfs/dbraw/zinc/72/40/19/386724019.db2.gz JGZQHCYYLFEXJK-CYBMUJFWSA-N 0 3 238.375 3.855 20 0 BHADHN c1nc(CN2CCC[C@@H]2CC2CCCCC2)co1 ZINC000191937666 386724527 /nfs/dbraw/zinc/72/45/27/386724527.db2.gz BVMUQPVUZSKASS-OAHLLOKOSA-N 0 3 248.370 3.609 20 0 BHADHN c1nc(CN2CCC[C@H]2CC2CCCCC2)co1 ZINC000191937675 386722356 /nfs/dbraw/zinc/72/23/56/386722356.db2.gz BVMUQPVUZSKASS-HNNXBMFYSA-N 0 3 248.370 3.609 20 0 BHADHN CCCCCN(Cc1ncccn1)[C@@H](C)CCC ZINC000191981247 357818878 /nfs/dbraw/zinc/81/88/78/357818878.db2.gz KSCUIUSBIDPVOS-AWEZNQCLSA-N 0 3 249.402 3.657 20 0 BHADHN CCCCCN(Cc1ncccn1)[C@H](C)CCC ZINC000191981254 357818787 /nfs/dbraw/zinc/81/87/87/357818787.db2.gz KSCUIUSBIDPVOS-CQSZACIVSA-N 0 3 249.402 3.657 20 0 BHADHN CCCCC[C@H](NCc1ncccn1)C(C)(C)C ZINC000192164744 644133156 /nfs/dbraw/zinc/13/31/56/644133156.db2.gz XURQEOUJDUIBRT-ZDUSSCGKSA-N 0 3 249.402 3.561 20 0 BHADHN CCCCC[C@@H](NCc1ncccn1)C(C)(C)C ZINC000192164749 644133058 /nfs/dbraw/zinc/13/30/58/644133058.db2.gz XURQEOUJDUIBRT-CYBMUJFWSA-N 0 3 249.402 3.561 20 0 BHADHN CCCCC1CCC(NCc2cocn2)CC1 ZINC000192296217 386756373 /nfs/dbraw/zinc/75/63/73/386756373.db2.gz GWPADSZJTXGIKU-UHFFFAOYSA-N 0 3 236.359 3.513 20 0 BHADHN CCCCC[C@H](NCc1cocn1)C(C)(C)C ZINC000192314130 644145694 /nfs/dbraw/zinc/14/56/94/644145694.db2.gz FLIUWBCRYSUAFP-ZDUSSCGKSA-N 0 3 238.375 3.759 20 0 BHADHN CCCCC[C@@H](NCc1cocn1)C(C)(C)C ZINC000192314135 644144428 /nfs/dbraw/zinc/14/44/28/644144428.db2.gz FLIUWBCRYSUAFP-CYBMUJFWSA-N 0 3 238.375 3.759 20 0 BHADHN CC(C)CC[C@H](NCc1cocn1)C(C)(C)C ZINC000192314163 365322108 /nfs/dbraw/zinc/32/21/08/365322108.db2.gz WQTLTUJBUMOBNA-ZDUSSCGKSA-N 0 3 238.375 3.615 20 0 BHADHN CC(C)CC[C@@H](NCc1cocn1)C(C)(C)C ZINC000192314168 365321804 /nfs/dbraw/zinc/32/18/04/365321804.db2.gz WQTLTUJBUMOBNA-CYBMUJFWSA-N 0 3 238.375 3.615 20 0 BHADHN CC(C)=CCNCc1ccc(C(F)F)cc1 ZINC000192344229 365329155 /nfs/dbraw/zinc/32/91/55/365329155.db2.gz LAIXMEBLDKAZFT-UHFFFAOYSA-N 0 3 225.282 3.680 20 0 BHADHN CCC(C)(C)CNCc1ncc(C(C)C)s1 ZINC000192352565 386759732 /nfs/dbraw/zinc/75/97/32/386759732.db2.gz JVEWWQUKUTXBEW-UHFFFAOYSA-N 0 3 240.416 3.792 20 0 BHADHN C[C@H](N[C@H]1CC(C)(C)C[C@H]1C)c1nccs1 ZINC000192391371 386760181 /nfs/dbraw/zinc/76/01/81/386760181.db2.gz IVTXBFLIMWMTRI-VWYCJHECSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1CC(C)(C)C[C@@H]1C)c1nccs1 ZINC000192391374 386759996 /nfs/dbraw/zinc/75/99/96/386759996.db2.gz IVTXBFLIMWMTRI-DCAQKATOSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CC(C)(C)C[C@H]1C)c1nccs1 ZINC000192391377 386759159 /nfs/dbraw/zinc/75/91/59/386759159.db2.gz IVTXBFLIMWMTRI-OUAUKWLOSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CC(C)(C)C[C@@H]1C)c1nccs1 ZINC000192391380 386760019 /nfs/dbraw/zinc/76/00/19/386760019.db2.gz IVTXBFLIMWMTRI-GARJFASQSA-N 0 3 238.400 3.618 20 0 BHADHN CCOc1ccc([C@@H](C)NCC=C(C)C)cc1 ZINC000192509668 386779329 /nfs/dbraw/zinc/77/93/29/386779329.db2.gz HALKCXPCUAZLPE-CYBMUJFWSA-N 0 3 233.355 3.702 20 0 BHADHN CCOc1ccc([C@H](C)NCC=C(C)C)cc1 ZINC000192509677 386778565 /nfs/dbraw/zinc/77/85/65/386778565.db2.gz HALKCXPCUAZLPE-ZDUSSCGKSA-N 0 3 233.355 3.702 20 0 BHADHN CN(Cc1cccs1)[C@@H]1CCc2ccccc21 ZINC000192609690 388680412 /nfs/dbraw/zinc/68/04/12/388680412.db2.gz KJHVHCJHEXDWQF-OAHLLOKOSA-N 0 3 243.375 3.867 20 0 BHADHN CN(Cc1cccs1)[C@H]1CCc2ccccc21 ZINC000192609710 388680481 /nfs/dbraw/zinc/68/04/81/388680481.db2.gz KJHVHCJHEXDWQF-HNNXBMFYSA-N 0 3 243.375 3.867 20 0 BHADHN Cc1ccc(N[C@@H](C)C2CCC2)c(CN(C)C)c1 ZINC000192628268 356270710 /nfs/dbraw/zinc/27/07/10/356270710.db2.gz HBJALSDHZAUTRV-ZDUSSCGKSA-N 0 3 246.398 3.657 20 0 BHADHN Cc1ccc(N[C@H](C)C2CCC2)c(CN(C)C)c1 ZINC000192628283 387022547 /nfs/dbraw/zinc/02/25/47/387022547.db2.gz HBJALSDHZAUTRV-CYBMUJFWSA-N 0 3 246.398 3.657 20 0 BHADHN CN(CCSc1ccc(Cl)cc1)C1CC1 ZINC000192648740 388681708 /nfs/dbraw/zinc/68/17/08/388681708.db2.gz QZPBRJLUNZCKPO-UHFFFAOYSA-N 0 3 241.787 3.526 20 0 BHADHN CSCCN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000192672030 365787727 /nfs/dbraw/zinc/78/77/27/365787727.db2.gz MDPSJSFJMOPATA-NSHDSACASA-N 0 3 249.379 3.789 20 0 BHADHN CSCCN(C)[C@H](C)c1cc2ccccc2o1 ZINC000192672045 365787830 /nfs/dbraw/zinc/78/78/30/365787830.db2.gz MDPSJSFJMOPATA-LLVKDONJSA-N 0 3 249.379 3.789 20 0 BHADHN CSCCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000192676669 365789211 /nfs/dbraw/zinc/78/92/11/365789211.db2.gz STNQLAUVDXJAKN-JTQLQIEISA-N 0 3 243.803 3.696 20 0 BHADHN CSCCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000192676679 365789701 /nfs/dbraw/zinc/78/97/01/365789701.db2.gz STNQLAUVDXJAKN-SNVBAGLBSA-N 0 3 243.803 3.696 20 0 BHADHN CCc1nc(CN(CC(C)C)C(C)C)cs1 ZINC000192850691 347385604 /nfs/dbraw/zinc/38/56/04/347385604.db2.gz GMWILXLGXVKDBP-UHFFFAOYSA-N 0 3 240.416 3.572 20 0 BHADHN CC(C)CCNCc1sccc1Cl ZINC000192977140 386805385 /nfs/dbraw/zinc/80/53/85/386805385.db2.gz IITUEWOMMADQFP-UHFFFAOYSA-N 0 3 217.765 3.537 20 0 BHADHN CC(C)(C)CNCc1sccc1Cl ZINC000193038757 386813250 /nfs/dbraw/zinc/81/32/50/386813250.db2.gz HCXSIRBZSYSYJK-UHFFFAOYSA-N 0 3 217.765 3.537 20 0 BHADHN CCC(C)(C)NCc1sccc1Cl ZINC000193072652 387048322 /nfs/dbraw/zinc/04/83/22/387048322.db2.gz SKVVRPAXWDAVGQ-UHFFFAOYSA-N 0 3 217.765 3.680 20 0 BHADHN C[C@@H](CC1CC1)NCc1sccc1Cl ZINC000193101583 387089522 /nfs/dbraw/zinc/08/95/22/387089522.db2.gz QMSYHKNLSDGZEL-QMMMGPOBSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@H](CC1CC1)NCc1sccc1Cl ZINC000193101596 387090186 /nfs/dbraw/zinc/09/01/86/387090186.db2.gz QMSYHKNLSDGZEL-MRVPVSSYSA-N 0 3 229.776 3.680 20 0 BHADHN CSCCCCNCc1sccc1Cl ZINC000193114205 387117535 /nfs/dbraw/zinc/11/75/35/387117535.db2.gz ZWPAWEMFJSZDEE-UHFFFAOYSA-N 0 3 249.832 3.634 20 0 BHADHN Clc1ccsc1CN[C@H]1CC=CCC1 ZINC000193114689 385385786 /nfs/dbraw/zinc/38/57/86/385385786.db2.gz YNGOSMNSBDTBSY-VIFPVBQESA-N 0 3 227.760 3.600 20 0 BHADHN Clc1ccsc1CN[C@@H]1CC=CCC1 ZINC000193114702 385385228 /nfs/dbraw/zinc/38/52/28/385385228.db2.gz YNGOSMNSBDTBSY-SECBINFHSA-N 0 3 227.760 3.600 20 0 BHADHN CN(Cc1nc2ccccc2s1)C1CCCC1 ZINC000193118951 385385742 /nfs/dbraw/zinc/38/57/42/385385742.db2.gz UOKYOFBEXIGVBG-UHFFFAOYSA-N 0 3 246.379 3.671 20 0 BHADHN CSC(C)(C)CNCc1sccc1Cl ZINC000193133700 175443060 /nfs/dbraw/zinc/44/30/60/175443060.db2.gz BPIKNZHEYCRTNW-UHFFFAOYSA-N 0 3 249.832 3.633 20 0 BHADHN CCC1(NCc2sccc2Cl)CCC1 ZINC000193137406 387229778 /nfs/dbraw/zinc/22/97/78/387229778.db2.gz LEGCPYRDGLCKLE-UHFFFAOYSA-N 0 3 229.776 3.824 20 0 BHADHN CCC1(CNCc2sccc2Cl)CC1 ZINC000193140384 387250382 /nfs/dbraw/zinc/25/03/82/387250382.db2.gz AKKUDKKGQIOASB-UHFFFAOYSA-N 0 3 229.776 3.681 20 0 BHADHN CC1(CNCc2sccc2Cl)CCC1 ZINC000193140521 387251730 /nfs/dbraw/zinc/25/17/30/387251730.db2.gz LPZYJSDRMHEZPI-UHFFFAOYSA-N 0 3 229.776 3.681 20 0 BHADHN Clc1ccsc1CN[C@H]1C=CCCC1 ZINC000193148330 387285352 /nfs/dbraw/zinc/28/53/52/387285352.db2.gz UMTFUURUUXYWMY-VIFPVBQESA-N 0 3 227.760 3.600 20 0 BHADHN Clc1ccsc1CN[C@@H]1C=CCCC1 ZINC000193148340 387285332 /nfs/dbraw/zinc/28/53/32/387285332.db2.gz UMTFUURUUXYWMY-SECBINFHSA-N 0 3 227.760 3.600 20 0 BHADHN Clc1csc(CN[C@H]2C=CCCC2)c1 ZINC000193148355 387285757 /nfs/dbraw/zinc/28/57/57/387285757.db2.gz OGKZEFOICXYQPQ-JTQLQIEISA-N 0 3 227.760 3.600 20 0 BHADHN Clc1csc(CN[C@@H]2C=CCCC2)c1 ZINC000193148371 387285974 /nfs/dbraw/zinc/28/59/74/387285974.db2.gz OGKZEFOICXYQPQ-SNVBAGLBSA-N 0 3 227.760 3.600 20 0 BHADHN Clc1ccsc1CNCC1(C2CC2)CC1 ZINC000193178083 387135698 /nfs/dbraw/zinc/13/56/98/387135698.db2.gz MXHCDFXUDPVAHE-UHFFFAOYSA-N 0 3 241.787 3.681 20 0 BHADHN CC[C@@H](CSC)NCc1sccc1Cl ZINC000193203122 256683926 /nfs/dbraw/zinc/68/39/26/256683926.db2.gz KZJGEAFIAATJLF-QMMMGPOBSA-N 0 3 249.832 3.633 20 0 BHADHN CC[C@H](CSC)NCc1sccc1Cl ZINC000193203137 387178454 /nfs/dbraw/zinc/17/84/54/387178454.db2.gz KZJGEAFIAATJLF-MRVPVSSYSA-N 0 3 249.832 3.633 20 0 BHADHN C[C@H](CC1CCCCC1)NCc1cscn1 ZINC000193274693 387204993 /nfs/dbraw/zinc/20/49/93/387204993.db2.gz CCQORHHCSVTKRP-LLVKDONJSA-N 0 3 238.400 3.592 20 0 BHADHN C[C@H](CC1CCCCC1)NCc1ccccn1 ZINC000193275012 388698857 /nfs/dbraw/zinc/69/88/57/388698857.db2.gz NJIDMLQFRBKZSC-CYBMUJFWSA-N 0 3 232.371 3.530 20 0 BHADHN Cc1ccc([C@H](NC2CC2)c2ccccc2)cc1 ZINC000193308061 367163323 /nfs/dbraw/zinc/16/33/23/367163323.db2.gz GGPOICUXIPGESZ-QGZVFWFLSA-N 0 3 237.346 3.836 20 0 BHADHN Cc1ccc([C@@H](NC2CC2)c2ccccc2)cc1 ZINC000193308068 347268426 /nfs/dbraw/zinc/26/84/26/347268426.db2.gz GGPOICUXIPGESZ-KRWDZBQOSA-N 0 3 237.346 3.836 20 0 BHADHN C[C@@H](c1ccc(F)cc1)N(C)C[C@@H]1CCC=CO1 ZINC000193646900 176015194 /nfs/dbraw/zinc/01/51/94/176015194.db2.gz IHGFEFWLJRRSBX-WFASDCNBSA-N 0 3 249.329 3.511 20 0 BHADHN C[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CCC=CO1 ZINC000193646919 177034558 /nfs/dbraw/zinc/03/45/58/177034558.db2.gz IHGFEFWLJRRSBX-DOMZBBRYSA-N 0 3 249.329 3.511 20 0 BHADHN CSC1(CNc2ccnc3ccccc32)CC1 ZINC000193730679 385409281 /nfs/dbraw/zinc/40/92/81/385409281.db2.gz AGHBFIHNKBRZTF-UHFFFAOYSA-N 0 3 244.363 3.542 20 0 BHADHN CSC1(CN[C@H](C)c2ccc(C)o2)CCC1 ZINC000193801897 385413181 /nfs/dbraw/zinc/41/31/81/385413181.db2.gz JMSKDDYQKYLVID-LLVKDONJSA-N 0 3 239.384 3.524 20 0 BHADHN CSC1(CN[C@@H](C)c2ccc(C)o2)CCC1 ZINC000193801912 385413424 /nfs/dbraw/zinc/41/34/24/385413424.db2.gz JMSKDDYQKYLVID-NSHDSACASA-N 0 3 239.384 3.524 20 0 BHADHN CC(C)CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000193843781 387806681 /nfs/dbraw/zinc/80/66/81/387806681.db2.gz IUHOFFVZPBPCOJ-NSHDSACASA-N 0 3 248.395 3.945 20 0 BHADHN CC(C)CN(C)[C@H](C)c1nc2ccccc2s1 ZINC000193843798 387807523 /nfs/dbraw/zinc/80/75/23/387807523.db2.gz IUHOFFVZPBPCOJ-LLVKDONJSA-N 0 3 248.395 3.945 20 0 BHADHN CCN(Cc1ccccc1OC(F)F)C(C)C ZINC000194090733 388477463 /nfs/dbraw/zinc/47/74/63/388477463.db2.gz YCSWVKHJLAHDIS-UHFFFAOYSA-N 0 3 243.297 3.518 20 0 BHADHN Cc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1 ZINC000194294898 367274419 /nfs/dbraw/zinc/27/44/19/367274419.db2.gz NALXBIIELCEWEE-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccc(CN(C)[C@H](C)c2cccnc2)cc1 ZINC000194294913 367274159 /nfs/dbraw/zinc/27/41/59/367274159.db2.gz NALXBIIELCEWEE-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN CN(Cc1sccc1Cl)CC1CCC1 ZINC000194295011 367274959 /nfs/dbraw/zinc/27/49/59/367274959.db2.gz MTRXKAIAHMLBOY-UHFFFAOYSA-N 0 3 229.776 3.633 20 0 BHADHN CN(Cc1cc(Cl)cs1)CC1CCC1 ZINC000194295029 388729014 /nfs/dbraw/zinc/72/90/14/388729014.db2.gz AZHCXBHHMSBRHJ-UHFFFAOYSA-N 0 3 229.776 3.633 20 0 BHADHN CCCCN(C)Cc1cc(Cl)cs1 ZINC000194299866 206088314 /nfs/dbraw/zinc/08/83/14/206088314.db2.gz ODQNPHDVKIDRPJ-UHFFFAOYSA-N 0 3 217.765 3.633 20 0 BHADHN Cc1cccc(CN(C)[C@@H](C)c2cccnc2)c1 ZINC000194315932 367278862 /nfs/dbraw/zinc/27/88/62/367278862.db2.gz KBUPJYKCJFOPLI-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cccc(CN(C)[C@H](C)c2cccnc2)c1 ZINC000194315949 367278271 /nfs/dbraw/zinc/27/82/71/367278271.db2.gz KBUPJYKCJFOPLI-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN CN(Cc1sccc1Cl)C1CCCC1 ZINC000194316960 367278077 /nfs/dbraw/zinc/27/80/77/367278077.db2.gz UOPDNONWTQJCTR-UHFFFAOYSA-N 0 3 229.776 3.776 20 0 BHADHN CN(Cc1cc(Cl)cs1)C1CCCC1 ZINC000194316981 388728762 /nfs/dbraw/zinc/72/87/62/388728762.db2.gz VRNVFWRMGLNHBY-UHFFFAOYSA-N 0 3 229.776 3.776 20 0 BHADHN CCN(Cc1cc(Cl)cs1)C(C)C ZINC000194323028 386583516 /nfs/dbraw/zinc/58/35/16/386583516.db2.gz MEXGMKTUEAQCTE-UHFFFAOYSA-N 0 3 217.765 3.632 20 0 BHADHN CC[C@@H](C)N(C)Cc1sccc1Cl ZINC000194331999 206087405 /nfs/dbraw/zinc/08/74/05/206087405.db2.gz CWLYMSZDFPVIPB-MRVPVSSYSA-N 0 3 217.765 3.632 20 0 BHADHN CC[C@H](C)N(C)Cc1sccc1Cl ZINC000194332014 206087637 /nfs/dbraw/zinc/08/76/37/206087637.db2.gz CWLYMSZDFPVIPB-QMMMGPOBSA-N 0 3 217.765 3.632 20 0 BHADHN CC[C@@H](C)N(C)Cc1cc(Cl)cs1 ZINC000194332035 206088347 /nfs/dbraw/zinc/08/83/47/206088347.db2.gz QQUYQQXFDQOYOF-MRVPVSSYSA-N 0 3 217.765 3.632 20 0 BHADHN CC[C@H](C)N(C)Cc1cc(Cl)cs1 ZINC000194332051 206087368 /nfs/dbraw/zinc/08/73/68/206087368.db2.gz QQUYQQXFDQOYOF-QMMMGPOBSA-N 0 3 217.765 3.632 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1sccc1Cl ZINC000194334611 388730101 /nfs/dbraw/zinc/73/01/01/388730101.db2.gz UJQDXZGQZYWZGR-QMMMGPOBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1sccc1Cl ZINC000194334625 388730073 /nfs/dbraw/zinc/73/00/73/388730073.db2.gz UJQDXZGQZYWZGR-MRVPVSSYSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1cc(Cl)cs1 ZINC000194334645 388729278 /nfs/dbraw/zinc/72/92/78/388729278.db2.gz HQXKHPCFCSXDSM-QMMMGPOBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1cc(Cl)cs1 ZINC000194334659 388730116 /nfs/dbraw/zinc/73/01/16/388730116.db2.gz HQXKHPCFCSXDSM-MRVPVSSYSA-N 0 3 229.776 3.632 20 0 BHADHN CC(C)N(Cc1cc(Cl)cs1)C1CC1 ZINC000194336721 388729828 /nfs/dbraw/zinc/72/98/28/388729828.db2.gz GNEFTAWUIGTVRL-UHFFFAOYSA-N 0 3 229.776 3.774 20 0 BHADHN CCN(Cc1sccc1Cl)CC1CC1 ZINC000194396473 367284483 /nfs/dbraw/zinc/28/44/83/367284483.db2.gz ZUOMDNYNDQVOOY-UHFFFAOYSA-N 0 3 229.776 3.633 20 0 BHADHN CCN(Cc1cc(Cl)cs1)CC1CC1 ZINC000194396495 388732136 /nfs/dbraw/zinc/73/21/36/388732136.db2.gz QGSUKKYRTXUNRD-UHFFFAOYSA-N 0 3 229.776 3.633 20 0 BHADHN Clc1ccsc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000194400613 388732323 /nfs/dbraw/zinc/73/23/23/388732323.db2.gz SRSKCKLUMNCDNM-AOOOYVTPSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1ccsc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000194400626 388731487 /nfs/dbraw/zinc/73/14/87/388731487.db2.gz SRSKCKLUMNCDNM-NXEZZACHSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1ccsc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000194400641 388731657 /nfs/dbraw/zinc/73/16/57/388731657.db2.gz SRSKCKLUMNCDNM-UWVGGRQHSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1csc(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000194400677 388731765 /nfs/dbraw/zinc/73/17/65/388731765.db2.gz GHROKBNUBSJKDD-AOOOYVTPSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1csc(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000194400694 388731959 /nfs/dbraw/zinc/73/19/59/388731959.db2.gz GHROKBNUBSJKDD-NXEZZACHSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1csc(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000194400705 388731616 /nfs/dbraw/zinc/73/16/16/388731616.db2.gz GHROKBNUBSJKDD-UWVGGRQHSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1ccsc1CN1CCC2(CCC2)C1 ZINC000194401331 367283771 /nfs/dbraw/zinc/28/37/71/367283771.db2.gz VKGRBKGIXTYINU-UHFFFAOYSA-N 0 3 241.787 3.778 20 0 BHADHN Clc1csc(CN2CCC3(CCC3)C2)c1 ZINC000194401351 388732238 /nfs/dbraw/zinc/73/22/38/388732238.db2.gz ZVVQINKDMUUNGC-UHFFFAOYSA-N 0 3 241.787 3.778 20 0 BHADHN CN(CCC1CC1)Cc1cc(Cl)cs1 ZINC000194436085 259620824 /nfs/dbraw/zinc/62/08/24/259620824.db2.gz WZMQEHHEFCSRIM-UHFFFAOYSA-N 0 3 229.776 3.633 20 0 BHADHN Cc1ccccc1[C@@H](C)N(C)Cc1ccco1 ZINC000194986612 367327522 /nfs/dbraw/zinc/32/75/22/367327522.db2.gz SUPJPSWZCBZGKS-CYBMUJFWSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1ccccc1[C@H](C)N(C)Cc1ccco1 ZINC000194986622 367328661 /nfs/dbraw/zinc/32/86/61/367328661.db2.gz SUPJPSWZCBZGKS-ZDUSSCGKSA-N 0 3 229.323 3.781 20 0 BHADHN C[C@@H](c1ccco1)N(C)CCc1ccccc1F ZINC000195007205 367331949 /nfs/dbraw/zinc/33/19/49/367331949.db2.gz ALKKHBJGCUJGCH-LBPRGKRZSA-N 0 3 247.313 3.654 20 0 BHADHN C[C@H](c1ccco1)N(C)CCc1ccccc1F ZINC000195007216 367331211 /nfs/dbraw/zinc/33/12/11/367331211.db2.gz ALKKHBJGCUJGCH-GFCCVEGCSA-N 0 3 247.313 3.654 20 0 BHADHN CCCN(C)Cc1cnc(-c2ccccc2)s1 ZINC000195016192 388694339 /nfs/dbraw/zinc/69/43/39/388694339.db2.gz TVAFYUCXDIDLGB-UHFFFAOYSA-N 0 3 246.379 3.652 20 0 BHADHN Cc1ccsc1CN(C)[C@@H](C)c1ccncc1 ZINC000195132417 367342762 /nfs/dbraw/zinc/34/27/62/367342762.db2.gz AHDKBNRBXROTTB-LBPRGKRZSA-N 0 3 246.379 3.645 20 0 BHADHN Cc1ccsc1CN(C)[C@H](C)c1ccncc1 ZINC000195132429 367342134 /nfs/dbraw/zinc/34/21/34/367342134.db2.gz AHDKBNRBXROTTB-GFCCVEGCSA-N 0 3 246.379 3.645 20 0 BHADHN Fc1ccccc1CN(CC1CCCC1)C1CC1 ZINC000195599332 388508229 /nfs/dbraw/zinc/50/82/29/388508229.db2.gz CCBLSTUNVXCTGL-UHFFFAOYSA-N 0 3 247.357 3.980 20 0 BHADHN CCN(CCSC)Cc1cccc(Cl)c1 ZINC000195601324 387323364 /nfs/dbraw/zinc/32/33/64/387323364.db2.gz XXFPSIZQLRVGOV-UHFFFAOYSA-N 0 3 243.803 3.525 20 0 BHADHN CCCN(Cc1cc(F)ccc1F)CC1CC1 ZINC000195661815 367373260 /nfs/dbraw/zinc/37/32/60/367373260.db2.gz NRFWONGIQAPPJC-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN CCc1ccc(CN(CCSC)C2CC2)cc1 ZINC000195664551 367373864 /nfs/dbraw/zinc/37/38/64/367373864.db2.gz SSOJLAMYTJFURN-UHFFFAOYSA-N 0 3 249.423 3.576 20 0 BHADHN CCOc1ccccc1CN(C)CC1CCCC1 ZINC000195667144 388544927 /nfs/dbraw/zinc/54/49/27/388544927.db2.gz QHQKDHHTJYBPCQ-UHFFFAOYSA-N 0 3 247.382 3.707 20 0 BHADHN Cc1cc(CN(C)Cc2ccccc2)c(C)s1 ZINC000195673624 387925001 /nfs/dbraw/zinc/92/50/01/387925001.db2.gz RBWMDNNLQJTQJN-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CN(Cc1ccc(F)cc1F)C1CCCCC1 ZINC000195731090 386619302 /nfs/dbraw/zinc/61/93/02/386619302.db2.gz UFFWVDIWWVSOPM-UHFFFAOYSA-N 0 3 239.309 3.729 20 0 BHADHN CCCN(CCC)Cc1ccc(F)cc1F ZINC000195732516 388720758 /nfs/dbraw/zinc/72/07/58/388720758.db2.gz AYWKCJYAMGQVOR-UHFFFAOYSA-N 0 3 227.298 3.587 20 0 BHADHN CCN(Cc1ccc(F)cc1F)C1CCCC1 ZINC000195733031 345292729 /nfs/dbraw/zinc/29/27/29/345292729.db2.gz JKJGEPQBIDKTTD-UHFFFAOYSA-N 0 3 239.309 3.729 20 0 BHADHN CCCCN(CC)Cc1ccc(F)cc1F ZINC000195733052 388721000 /nfs/dbraw/zinc/72/10/00/388721000.db2.gz MQAWSBIVDBWOEA-UHFFFAOYSA-N 0 3 227.298 3.587 20 0 BHADHN CN(Cc1cc(F)ccc1F)CC1CCCC1 ZINC000195734983 388720321 /nfs/dbraw/zinc/72/03/21/388720321.db2.gz YJLGHTVQCNMIFC-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN CCOCCN(C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000195736691 345304716 /nfs/dbraw/zinc/30/47/16/345304716.db2.gz GXRQUURTYCYWLQ-AWEZNQCLSA-N 0 3 249.398 3.839 20 0 BHADHN CCOCCN(C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000195736692 345304728 /nfs/dbraw/zinc/30/47/28/345304728.db2.gz GXRQUURTYCYWLQ-CQSZACIVSA-N 0 3 249.398 3.839 20 0 BHADHN C/C=C/CNC(c1ccccc1)c1ccccc1 ZINC000199049733 397933656 /nfs/dbraw/zinc/93/36/56/397933656.db2.gz ZSJHPHPCTZZTDF-NSCUHMNNSA-N 0 3 237.346 3.942 20 0 BHADHN CCSc1cccc(CN2CCCCC2)c1 ZINC000201266185 345729521 /nfs/dbraw/zinc/72/95/21/345729521.db2.gz QVHDQJVGZNYCDP-UHFFFAOYSA-N 0 3 235.396 3.785 20 0 BHADHN CC(C)CCN(C)Cc1cnc2ccccc2c1 ZINC000201485296 541501356 /nfs/dbraw/zinc/50/13/56/541501356.db2.gz ZKQHOZAGNGYDOV-UHFFFAOYSA-N 0 3 242.366 3.713 20 0 BHADHN CC(C)(C)c1ccc(CN2CCCC2)s1 ZINC000202161674 343053820 /nfs/dbraw/zinc/05/38/20/343053820.db2.gz HKBPBYIYJYMWBS-UHFFFAOYSA-N 0 3 223.385 3.641 20 0 BHADHN CC(C)c1cccc2c1CCN(C(C)C)C2 ZINC000202302608 346003302 /nfs/dbraw/zinc/00/33/02/346003302.db2.gz MOKQNCGUOMJTEY-UHFFFAOYSA-N 0 3 217.356 3.577 20 0 BHADHN C[C@@H]1CCCN1Cc1ccccc1C(F)(F)F ZINC000202497472 346108001 /nfs/dbraw/zinc/10/80/01/346108001.db2.gz UDWCOCVFZUIKGW-SNVBAGLBSA-N 0 3 243.272 3.690 20 0 BHADHN C[C@H]1CCCN1Cc1ccccc1C(F)(F)F ZINC000202497495 346107610 /nfs/dbraw/zinc/10/76/10/346107610.db2.gz UDWCOCVFZUIKGW-JTQLQIEISA-N 0 3 243.272 3.690 20 0 BHADHN Cc1ccc(CN2CCCCC2)cc1Cl ZINC000202904364 363065863 /nfs/dbraw/zinc/06/58/63/363065863.db2.gz BNYDFEBQCDVGRJ-UHFFFAOYSA-N 0 3 223.747 3.634 20 0 BHADHN Cc1cc(Cl)cc(CN2CCCCC2)c1 ZINC000205003143 348438896 /nfs/dbraw/zinc/43/88/96/348438896.db2.gz KBLZVYHCEQMDHJ-UHFFFAOYSA-N 0 3 223.747 3.634 20 0 BHADHN Cl/C=C\CN1CCC(Cc2ccccc2)CC1 ZINC000206390921 589519781 /nfs/dbraw/zinc/51/97/81/589519781.db2.gz HBYNJWAAIRPCSL-WTKPLQERSA-N 0 3 249.785 3.694 20 0 BHADHN CC(C)(C)C1CCN(Cc2ccco2)CC1 ZINC000206537160 345734496 /nfs/dbraw/zinc/73/44/96/345734496.db2.gz CBEVWUVVLHHAOJ-UHFFFAOYSA-N 0 3 221.344 3.538 20 0 BHADHN CC(C)(C)[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000210167360 590825735 /nfs/dbraw/zinc/82/57/35/590825735.db2.gz ZJRPOMXWQNMXSI-VVEJJEBESA-N 0 3 229.795 3.887 20 0 BHADHN CC(C)(C)[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000210167395 590825576 /nfs/dbraw/zinc/82/55/76/590825576.db2.gz ZJRPOMXWQNMXSI-JECSTDCCSA-N 0 3 229.795 3.887 20 0 BHADHN Fc1cccc(CNC/C=C\c2ccccc2)c1 ZINC000210539288 385581751 /nfs/dbraw/zinc/58/17/51/385581751.db2.gz DOTWYFKZIQKJHC-UITAMQMPSA-N 0 3 241.309 3.629 20 0 BHADHN C(=C\c1ccccc1)\CN[C@@H]1CCc2ccccc21 ZINC000210539751 386705524 /nfs/dbraw/zinc/70/55/24/386705524.db2.gz CLNUIOGMOUJAMN-OTIVFRFGSA-N 0 3 249.357 3.977 20 0 BHADHN C(=C\c1ccccc1)\CN[C@H]1CCc2ccccc21 ZINC000210539783 386703610 /nfs/dbraw/zinc/70/36/10/386703610.db2.gz CLNUIOGMOUJAMN-KKMIYCERSA-N 0 3 249.357 3.977 20 0 BHADHN Cc1cccc(CNC/C=C\c2ccccc2)c1 ZINC000210539828 386705315 /nfs/dbraw/zinc/70/53/15/386705315.db2.gz NBCNXNULKZEOGU-WDZFZDKYSA-N 0 3 237.346 3.798 20 0 BHADHN Cc1cscc1CNC/C=C\c1ccccc1 ZINC000211115917 386779947 /nfs/dbraw/zinc/77/99/47/386779947.db2.gz NLOMEQUYRSWYBM-YVMONPNESA-N 0 3 243.375 3.860 20 0 BHADHN CCC(CC)(CC)NC/C(Cl)=C\Cl ZINC000211214188 591147770 /nfs/dbraw/zinc/14/77/70/591147770.db2.gz XPFHZOSJQAZJAJ-VQHVLOKHSA-N 0 3 224.175 3.864 20 0 BHADHN C[C@H](NC/C(Cl)=C\Cl)C1CCCCC1 ZINC000211232525 591148639 /nfs/dbraw/zinc/14/86/39/591148639.db2.gz QFHRMOQZMATRBI-FKVCUQLRSA-N 0 3 236.186 3.864 20 0 BHADHN C[C@@H](NC/C(Cl)=C\Cl)C1CCCCC1 ZINC000211232583 591149218 /nfs/dbraw/zinc/14/92/18/591149218.db2.gz QFHRMOQZMATRBI-MXFUOJGSSA-N 0 3 236.186 3.864 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1NC/C(Cl)=C\Cl ZINC000211246423 591152716 /nfs/dbraw/zinc/15/27/16/591152716.db2.gz WRBXMBHYEMZIFB-LCIINNLCSA-N 0 3 236.186 3.864 20 0 BHADHN C[C@@H]1CCC[C@H](NC/C(Cl)=C\Cl)[C@@H]1C ZINC000211250438 591152148 /nfs/dbraw/zinc/15/21/48/591152148.db2.gz KRCPPQWXRFGQKJ-NKGCTNDSSA-N 0 3 236.186 3.720 20 0 BHADHN C[C@@H]1CC[C@H](NC/C(Cl)=C\Cl)[C@H](C)C1 ZINC000211273553 591152920 /nfs/dbraw/zinc/15/29/20/591152920.db2.gz FCAQFZMAYGBWCR-NKGCTNDSSA-N 0 3 236.186 3.720 20 0 BHADHN CC1(C)CCCC[C@@H]1NC/C(Cl)=C\Cl ZINC000211337047 591159787 /nfs/dbraw/zinc/15/97/87/591159787.db2.gz GAGDPTWVLTUWQM-PCYYEKQGSA-N 0 3 236.186 3.864 20 0 BHADHN CC1(C)CCCC[C@H]1NC/C(Cl)=C\Cl ZINC000211337113 591160267 /nfs/dbraw/zinc/16/02/67/591160267.db2.gz GAGDPTWVLTUWQM-TTZKWOQHSA-N 0 3 236.186 3.864 20 0 BHADHN Cc1ccsc1CNC/C=C\c1ccccc1 ZINC000211422412 387546866 /nfs/dbraw/zinc/54/68/66/387546866.db2.gz MBEKSMIGKVZKSC-YVMONPNESA-N 0 3 243.375 3.860 20 0 BHADHN CC(C)C[N@@H+](Cc1cccc([O-])c1)C1CCCC1 ZINC000211549482 387382645 /nfs/dbraw/zinc/38/26/45/387382645.db2.gz BXKVXKDIAZSJAB-UHFFFAOYSA-N 0 3 247.382 3.793 20 0 BHADHN CC(C)C[N@H+](Cc1cccc([O-])c1)C1CCCC1 ZINC000211549482 387382638 /nfs/dbraw/zinc/38/26/38/387382638.db2.gz BXKVXKDIAZSJAB-UHFFFAOYSA-N 0 3 247.382 3.793 20 0 BHADHN Cc1ccc2c(c1)[C@H](NCCC(F)(F)F)CC2 ZINC000211956815 256590223 /nfs/dbraw/zinc/59/02/23/256590223.db2.gz MWQDGULCLXHPIB-GFCCVEGCSA-N 0 3 243.272 3.524 20 0 BHADHN Cc1ccc2c(c1)[C@@H](NCCC(F)(F)F)CC2 ZINC000211956893 384753188 /nfs/dbraw/zinc/75/31/88/384753188.db2.gz MWQDGULCLXHPIB-LBPRGKRZSA-N 0 3 243.272 3.524 20 0 BHADHN C(=C\c1ccccc1)\CNCc1ccsc1 ZINC000211957631 166228285 /nfs/dbraw/zinc/22/82/85/166228285.db2.gz ARFJMGHKHYLODB-DAXSKMNVSA-N 0 3 229.348 3.551 20 0 BHADHN CCC[C@@H]1CCCC[N@H+]1Cc1cccc([O-])c1 ZINC000213563734 386005766 /nfs/dbraw/zinc/00/57/66/386005766.db2.gz FTRGSCUZOONSJY-CQSZACIVSA-N 0 3 233.355 3.547 20 0 BHADHN CCC[C@@H]1CCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000213563734 386005759 /nfs/dbraw/zinc/00/57/59/386005759.db2.gz FTRGSCUZOONSJY-CQSZACIVSA-N 0 3 233.355 3.547 20 0 BHADHN CCC[C@H]1CCCC[N@H+]1Cc1cccc([O-])c1 ZINC000213563784 386006787 /nfs/dbraw/zinc/00/67/87/386006787.db2.gz FTRGSCUZOONSJY-AWEZNQCLSA-N 0 3 233.355 3.547 20 0 BHADHN CCC[C@H]1CCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000213563784 386006784 /nfs/dbraw/zinc/00/67/84/386006784.db2.gz FTRGSCUZOONSJY-AWEZNQCLSA-N 0 3 233.355 3.547 20 0 BHADHN C/C=C\CNC(c1ccccc1)c1ccccc1 ZINC000214317539 344083118 /nfs/dbraw/zinc/08/31/18/344083118.db2.gz ZSJHPHPCTZZTDF-IHWYPQMZSA-N 0 3 237.346 3.942 20 0 BHADHN Cc1cscc1CNCc1c(C)cccc1C ZINC000215412159 384434533 /nfs/dbraw/zinc/43/45/33/384434533.db2.gz FWRSLQYGONSJSE-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN CCN(CC)[C@@H](C)c1ccccc1Cl ZINC000215892928 386841690 /nfs/dbraw/zinc/84/16/90/386841690.db2.gz NIIFUHXJSCOLHH-JTQLQIEISA-N 0 3 211.736 3.743 20 0 BHADHN CCN(CC)[C@H](C)c1ccccc1Cl ZINC000215892975 384621740 /nfs/dbraw/zinc/62/17/40/384621740.db2.gz NIIFUHXJSCOLHH-SNVBAGLBSA-N 0 3 211.736 3.743 20 0 BHADHN CC[C@@H](CSC)N[C@@H](C)c1cc(C)oc1C ZINC000217328245 387796455 /nfs/dbraw/zinc/79/64/55/387796455.db2.gz ZYVIQRIXUKYQCD-JQWIXIFHSA-N 0 3 241.400 3.689 20 0 BHADHN CC[C@H](CSC)N[C@@H](C)c1cc(C)oc1C ZINC000217328247 387796278 /nfs/dbraw/zinc/79/62/78/387796278.db2.gz ZYVIQRIXUKYQCD-CMPLNLGQSA-N 0 3 241.400 3.689 20 0 BHADHN CC[C@@H](CSC)N[C@H](C)c1cc(C)oc1C ZINC000217328248 387796496 /nfs/dbraw/zinc/79/64/96/387796496.db2.gz ZYVIQRIXUKYQCD-PWSUYJOCSA-N 0 3 241.400 3.689 20 0 BHADHN CC[C@H](CSC)N[C@H](C)c1cc(C)oc1C ZINC000217328250 387795269 /nfs/dbraw/zinc/79/52/69/387795269.db2.gz ZYVIQRIXUKYQCD-ZYHUDNBSSA-N 0 3 241.400 3.689 20 0 BHADHN Cc1nc([C@H](C)N[C@@H]2CCC[C@@H](C)C2)cs1 ZINC000217978004 134250824 /nfs/dbraw/zinc/25/08/24/134250824.db2.gz WNMYZNYCIMJQGB-JFGNBEQYSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@H]2CCC[C@@H](C)C2)cs1 ZINC000217978161 134251105 /nfs/dbraw/zinc/25/11/05/134251105.db2.gz WNMYZNYCIMJQGB-SCVCMEIPSA-N 0 3 238.400 3.681 20 0 BHADHN CC(C)(NCc1ccc(Cl)cc1F)C1CC1 ZINC000218058495 324057831 /nfs/dbraw/zinc/05/78/31/324057831.db2.gz BGOWCAZYHSQTFA-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN c1cc2cccc(CNCc3ccsc3)c2[nH]1 ZINC000218106414 134251517 /nfs/dbraw/zinc/25/15/17/134251517.db2.gz NSELEVTXCKGDBU-UHFFFAOYSA-N 0 3 242.347 3.519 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1cscn1 ZINC000218224651 324074510 /nfs/dbraw/zinc/07/45/10/324074510.db2.gz TYELTMAGURDBRS-NOOOWODRSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@@H](NC[C@@H]1CCC[C@@H](C)C1)c1cscn1 ZINC000218234109 324075593 /nfs/dbraw/zinc/07/55/93/324075593.db2.gz XLYDSSFEWDXPBM-IJLUTSLNSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@@H](NC[C@H]1CCC[C@@H](C)C1)c1cscn1 ZINC000218234166 324075485 /nfs/dbraw/zinc/07/54/85/324075485.db2.gz XLYDSSFEWDXPBM-UTUOFQBUSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1cscn1 ZINC000218249535 324074547 /nfs/dbraw/zinc/07/45/47/324074547.db2.gz SVNIBQJGFZOWQI-KXNHARMFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1cscn1 ZINC000218249625 324074622 /nfs/dbraw/zinc/07/46/22/324074622.db2.gz SVNIBQJGFZOWQI-RHYQMDGZSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@@H](NC1C[C@H](C)C[C@@H](C)C1)c1cscn1 ZINC000218257954 357922135 /nfs/dbraw/zinc/92/21/35/357922135.db2.gz LFVWXHCBHDKRTO-GMTAPVOTSA-N 0 3 238.400 3.618 20 0 BHADHN CCC1(CNCc2ccc(Cl)cc2F)CC1 ZINC000218966617 256853763 /nfs/dbraw/zinc/85/37/63/256853763.db2.gz OELPDDMMQMTZRR-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CC1(CNCc2ccc(Cl)cc2F)CCC1 ZINC000218966680 388586630 /nfs/dbraw/zinc/58/66/30/388586630.db2.gz OMIMNVPRDGDZKX-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CC(C)C(C)(C)CNCc1ccc(Cl)o1 ZINC000218978486 388586639 /nfs/dbraw/zinc/58/66/39/388586639.db2.gz IAEMYKNQTIBIJS-UHFFFAOYSA-N 0 3 229.751 3.705 20 0 BHADHN CC(C)C(C)(C)CNCc1ncc(Cl)s1 ZINC000218979045 363133454 /nfs/dbraw/zinc/13/34/54/363133454.db2.gz YNWHVDDAJNEYGV-UHFFFAOYSA-N 0 3 246.807 3.568 20 0 BHADHN CCc1ccc(CNCC(C)(C)C(C)C)o1 ZINC000218981301 386123759 /nfs/dbraw/zinc/12/37/59/386123759.db2.gz VOAXXFTZUZMVQZ-UHFFFAOYSA-N 0 3 223.360 3.614 20 0 BHADHN CC(C)=CCNCc1cccc(C(F)(F)F)c1 ZINC000219222551 388589525 /nfs/dbraw/zinc/58/95/25/388589525.db2.gz PTAYDPALKINXNX-UHFFFAOYSA-N 0 3 243.272 3.761 20 0 BHADHN CC(C)C(C)(C)CN[C@@H](C)c1ccc(F)cn1 ZINC000219271374 385923633 /nfs/dbraw/zinc/92/36/33/385923633.db2.gz IEETXLCINDWWHS-NSHDSACASA-N 0 3 238.350 3.554 20 0 BHADHN CC(C)C(C)(C)CN[C@H](C)c1ccc(F)cn1 ZINC000219271422 385924172 /nfs/dbraw/zinc/92/41/72/385924172.db2.gz IEETXLCINDWWHS-LLVKDONJSA-N 0 3 238.350 3.554 20 0 BHADHN Cc1nc([C@@H](C)NCC(C)(C)C(C)C)cs1 ZINC000219273255 134277074 /nfs/dbraw/zinc/27/70/74/134277074.db2.gz UUPGPYGUGUWYPS-SNVBAGLBSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1nc([C@H](C)NCC(C)(C)C(C)C)cs1 ZINC000219273299 134277115 /nfs/dbraw/zinc/27/71/15/134277115.db2.gz UUPGPYGUGUWYPS-JTQLQIEISA-N 0 3 240.416 3.784 20 0 BHADHN Cc1ccc([C@@H](C)NCC(C)(C)C(C)C)o1 ZINC000219274224 388590217 /nfs/dbraw/zinc/59/02/17/388590217.db2.gz HAAVDDPILCNQPP-GFCCVEGCSA-N 0 3 223.360 3.921 20 0 BHADHN Cc1ccc([C@H](C)NCC(C)(C)C(C)C)o1 ZINC000219274273 388590716 /nfs/dbraw/zinc/59/07/16/388590716.db2.gz HAAVDDPILCNQPP-LBPRGKRZSA-N 0 3 223.360 3.921 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccccc1Cl ZINC000219354197 388591131 /nfs/dbraw/zinc/59/11/31/388591131.db2.gz GTOKZVGXEPDHJP-NSHDSACASA-N 0 3 223.747 3.957 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccccc1Cl ZINC000219354276 388591216 /nfs/dbraw/zinc/59/12/16/388591216.db2.gz GTOKZVGXEPDHJP-LLVKDONJSA-N 0 3 223.747 3.957 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cccc(Cl)c1 ZINC000219354374 256857756 /nfs/dbraw/zinc/85/77/56/256857756.db2.gz KSYCNCWRPIUVBS-NSHDSACASA-N 0 3 223.747 3.957 20 0 BHADHN CC(C)=CCN[C@H](C)c1cccc(Cl)c1 ZINC000219354441 388591227 /nfs/dbraw/zinc/59/12/27/388591227.db2.gz KSYCNCWRPIUVBS-LLVKDONJSA-N 0 3 223.747 3.957 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccc(Cl)cc1 ZINC000219354540 256857079 /nfs/dbraw/zinc/85/70/79/256857079.db2.gz JZLZSIUDHMDYKO-NSHDSACASA-N 0 3 223.747 3.957 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccc(Cl)cc1 ZINC000219354611 388591082 /nfs/dbraw/zinc/59/10/82/388591082.db2.gz JZLZSIUDHMDYKO-LLVKDONJSA-N 0 3 223.747 3.957 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cc(C)ccc1C ZINC000219355628 388591209 /nfs/dbraw/zinc/59/12/09/388591209.db2.gz FVBXCVOECHLXOP-AWEZNQCLSA-N 0 3 217.356 3.920 20 0 BHADHN CC(C)=CCN[C@H](C)c1cc(C)ccc1C ZINC000219355705 388591222 /nfs/dbraw/zinc/59/12/22/388591222.db2.gz FVBXCVOECHLXOP-CQSZACIVSA-N 0 3 217.356 3.920 20 0 BHADHN CC(C)=CCN[C@@H]1CCSc2ccccc21 ZINC000219358466 350123346 /nfs/dbraw/zinc/12/33/46/350123346.db2.gz YPFSFWMBBZYAMZ-CYBMUJFWSA-N 0 3 233.380 3.779 20 0 BHADHN CC(C)=CCN[C@H]1CCSc2ccccc21 ZINC000219358552 350123642 /nfs/dbraw/zinc/12/36/42/350123642.db2.gz YPFSFWMBBZYAMZ-ZDUSSCGKSA-N 0 3 233.380 3.779 20 0 BHADHN C[C@@H]1CC[C@H](NC/C(Cl)=C/Cl)[C@@H](C)C1 ZINC000219476808 592225234 /nfs/dbraw/zinc/22/52/34/592225234.db2.gz FCAQFZMAYGBWCR-KMNQMVFYSA-N 0 3 236.186 3.720 20 0 BHADHN CC(C)=CCNCc1ccc(C(F)(F)F)cc1 ZINC000219512579 387906852 /nfs/dbraw/zinc/90/68/52/387906852.db2.gz AILSNXJEEGRSKB-UHFFFAOYSA-N 0 3 243.272 3.761 20 0 BHADHN C[C@@H](NC1C[C@H](C)C[C@@H](C)C1)c1nccs1 ZINC000219630258 134288954 /nfs/dbraw/zinc/28/89/54/134288954.db2.gz KROHGOTYSZUBRC-GMTAPVOTSA-N 0 3 238.400 3.618 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccccc1Cl ZINC000220097931 487830061 /nfs/dbraw/zinc/83/00/61/487830061.db2.gz QYBUQMBEVOTNPC-FSIBCCDJSA-N 0 3 209.720 3.567 20 0 BHADHN C/C=C/CN[C@H](C)c1ccccc1Cl ZINC000220098010 487829868 /nfs/dbraw/zinc/82/98/68/487829868.db2.gz QYBUQMBEVOTNPC-HMDXOVGESA-N 0 3 209.720 3.567 20 0 BHADHN C/C=C/CN[C@@H](C)c1cccc(Cl)c1 ZINC000220098197 342908967 /nfs/dbraw/zinc/90/89/67/342908967.db2.gz AMAKTCUMRHYBQA-FSIBCCDJSA-N 0 3 209.720 3.567 20 0 BHADHN C/C=C/CN[C@H](C)c1cccc(Cl)c1 ZINC000220098262 487829938 /nfs/dbraw/zinc/82/99/38/487829938.db2.gz AMAKTCUMRHYBQA-HMDXOVGESA-N 0 3 209.720 3.567 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(Cl)cc1 ZINC000220098459 487829890 /nfs/dbraw/zinc/82/98/90/487829890.db2.gz KOCQYBZOVBEWBY-FSIBCCDJSA-N 0 3 209.720 3.567 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(Cl)cc1 ZINC000220098509 487830032 /nfs/dbraw/zinc/83/00/32/487830032.db2.gz KOCQYBZOVBEWBY-HMDXOVGESA-N 0 3 209.720 3.567 20 0 BHADHN Fc1ccccc1CNC/C=C\c1ccccc1 ZINC000220543852 388604804 /nfs/dbraw/zinc/60/48/04/388604804.db2.gz JIMQTYYACYVLOK-TWGQIWQCSA-N 0 3 241.309 3.629 20 0 BHADHN Cc1ccc([C@@H](C)NC/C=C\c2ccccc2)o1 ZINC000220544653 388604886 /nfs/dbraw/zinc/60/48/86/388604886.db2.gz RQGASSJLRGPZEH-DEBLGDTFSA-N 0 3 241.334 3.952 20 0 BHADHN Cc1ccc([C@H](C)NC/C=C\c2ccccc2)o1 ZINC000220544717 256868070 /nfs/dbraw/zinc/86/80/70/256868070.db2.gz RQGASSJLRGPZEH-PIZKADEWSA-N 0 3 241.334 3.952 20 0 BHADHN Cc1ccc(CNC/C=C\c2ccccc2)s1 ZINC000220549405 256868227 /nfs/dbraw/zinc/86/82/27/256868227.db2.gz QRCXVDXAIKWOJZ-YVMONPNESA-N 0 3 243.375 3.860 20 0 BHADHN Cc1ccccc1CNC/C=C\c1ccccc1 ZINC000220551641 388604954 /nfs/dbraw/zinc/60/49/54/388604954.db2.gz ZSHQVARYDBNGMS-XFFZJAGNSA-N 0 3 237.346 3.798 20 0 BHADHN Fc1ccccc1CNCCCC1CCCC1 ZINC000220718292 388607484 /nfs/dbraw/zinc/60/74/84/388607484.db2.gz FAMTWPMGOKOMAG-UHFFFAOYSA-N 0 3 235.346 3.886 20 0 BHADHN Cc1cnc([C@@H](C)N[C@@H](C)C2CCCCC2)o1 ZINC000220945633 134314846 /nfs/dbraw/zinc/31/48/46/134314846.db2.gz HPBXFEJGMLOZSB-NWDGAFQWSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H](C)C2CCCCC2)o1 ZINC000220945695 134315330 /nfs/dbraw/zinc/31/53/30/134315330.db2.gz HPBXFEJGMLOZSB-RYUDHWBXSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cnc([C@@H](C)N[C@H](C)C2CCCCC2)o1 ZINC000220945755 134315046 /nfs/dbraw/zinc/31/50/46/134315046.db2.gz HPBXFEJGMLOZSB-VXGBXAGGSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cnc([C@H](C)N[C@H](C)C2CCCCC2)o1 ZINC000220945803 134315169 /nfs/dbraw/zinc/31/51/69/134315169.db2.gz HPBXFEJGMLOZSB-NEPJUHHUSA-N 0 3 236.359 3.602 20 0 BHADHN CCN1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000220979795 345746673 /nfs/dbraw/zinc/74/66/73/345746673.db2.gz RFMVAOJGMUDCLG-UHFFFAOYSA-N 0 3 247.382 3.673 20 0 BHADHN Clc1cc(CNCC2CC2)c(Cl)s1 ZINC000220990039 385109054 /nfs/dbraw/zinc/10/90/54/385109054.db2.gz NJYVDRKSTJKTBG-UHFFFAOYSA-N 0 3 236.167 3.555 20 0 BHADHN CC(C)CNCc1cc(Cl)sc1Cl ZINC000220990225 259517984 /nfs/dbraw/zinc/51/79/84/259517984.db2.gz KUFPQADVYAHPKJ-UHFFFAOYSA-N 0 3 238.183 3.801 20 0 BHADHN CC[C@@H](C)NCc1cc(Cl)sc1Cl ZINC000221097262 385978938 /nfs/dbraw/zinc/97/89/38/385978938.db2.gz CRPWQAQEPIYEMW-ZCFIWIBFSA-N 0 3 238.183 3.943 20 0 BHADHN CC[C@H](C)NCc1cc(Cl)sc1Cl ZINC000221097317 385260047 /nfs/dbraw/zinc/26/00/47/385260047.db2.gz CRPWQAQEPIYEMW-LURJTMIESA-N 0 3 238.183 3.943 20 0 BHADHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H](C)c1ncc[nH]1 ZINC000221145876 490177005 /nfs/dbraw/zinc/17/70/05/490177005.db2.gz GSTWCCIGJOGVDD-RQJABVFESA-N 0 3 249.402 3.521 20 0 BHADHN CC(C)[C@@H]1CCC[C@@H](NCc2ccco2)C1 ZINC000221383094 259372939 /nfs/dbraw/zinc/37/29/39/259372939.db2.gz XDXTZHXDAXOBIQ-CHWSQXEVSA-N 0 3 221.344 3.584 20 0 BHADHN CC(C)[C@H]1CCC[C@@H](NCc2ccco2)C1 ZINC000221383149 259372832 /nfs/dbraw/zinc/37/28/32/259372832.db2.gz XDXTZHXDAXOBIQ-QWHCGFSZSA-N 0 3 221.344 3.584 20 0 BHADHN CC(C)[C@@H]1CCC[C@H](NCc2ccco2)C1 ZINC000221383186 259372898 /nfs/dbraw/zinc/37/28/98/259372898.db2.gz XDXTZHXDAXOBIQ-OLZOCXBDSA-N 0 3 221.344 3.584 20 0 BHADHN CC(C)[C@H]1CCC[C@H](NCc2ccco2)C1 ZINC000221383240 259372854 /nfs/dbraw/zinc/37/28/54/259372854.db2.gz XDXTZHXDAXOBIQ-STQMWFEESA-N 0 3 221.344 3.584 20 0 BHADHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cccc(F)c1 ZINC000221690129 398049185 /nfs/dbraw/zinc/04/91/85/398049185.db2.gz KFIKUECJUKGCRC-IUCAKERBSA-N 0 3 249.251 3.817 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@@H](C)c1cccc(F)c1 ZINC000221690177 398049197 /nfs/dbraw/zinc/04/91/97/398049197.db2.gz KFIKUECJUKGCRC-BDAKNGLRSA-N 0 3 249.251 3.817 20 0 BHADHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cccc(F)c1 ZINC000221690227 398048302 /nfs/dbraw/zinc/04/83/02/398048302.db2.gz KFIKUECJUKGCRC-DTWKUNHWSA-N 0 3 249.251 3.817 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@H](C)c1cccc(F)c1 ZINC000221690291 398048505 /nfs/dbraw/zinc/04/85/05/398048505.db2.gz KFIKUECJUKGCRC-RKDXNWHRSA-N 0 3 249.251 3.817 20 0 BHADHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccccc1F ZINC000221732152 385694328 /nfs/dbraw/zinc/69/43/28/385694328.db2.gz NZFMGKYEJFFCIV-IUCAKERBSA-N 0 3 249.251 3.817 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccccc1F ZINC000221732219 385693948 /nfs/dbraw/zinc/69/39/48/385693948.db2.gz NZFMGKYEJFFCIV-BDAKNGLRSA-N 0 3 249.251 3.817 20 0 BHADHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccccc1F ZINC000221732277 385694233 /nfs/dbraw/zinc/69/42/33/385694233.db2.gz NZFMGKYEJFFCIV-DTWKUNHWSA-N 0 3 249.251 3.817 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@H](C)c1ccccc1F ZINC000221732321 259405411 /nfs/dbraw/zinc/40/54/11/259405411.db2.gz NZFMGKYEJFFCIV-RKDXNWHRSA-N 0 3 249.251 3.817 20 0 BHADHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cccs1 ZINC000221746162 134326399 /nfs/dbraw/zinc/32/63/99/134326399.db2.gz PDKDHVNLPOHHQI-YUMQZZPRSA-N 0 3 237.290 3.740 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@@H](C)c1cccs1 ZINC000221746218 350219511 /nfs/dbraw/zinc/21/95/11/350219511.db2.gz PDKDHVNLPOHHQI-SFYZADRCSA-N 0 3 237.290 3.740 20 0 BHADHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cccs1 ZINC000221746272 134326271 /nfs/dbraw/zinc/32/62/71/134326271.db2.gz PDKDHVNLPOHHQI-JGVFFNPUSA-N 0 3 237.290 3.740 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@H](C)c1cccs1 ZINC000221746331 134326056 /nfs/dbraw/zinc/32/60/56/134326056.db2.gz PDKDHVNLPOHHQI-HTQZYQBOSA-N 0 3 237.290 3.740 20 0 BHADHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(F)cc1 ZINC000221766956 385703487 /nfs/dbraw/zinc/70/34/87/385703487.db2.gz MWBJBKDSPKGILF-IUCAKERBSA-N 0 3 249.251 3.817 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(F)cc1 ZINC000221767010 385702907 /nfs/dbraw/zinc/70/29/07/385702907.db2.gz MWBJBKDSPKGILF-BDAKNGLRSA-N 0 3 249.251 3.817 20 0 BHADHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccc(F)cc1 ZINC000221767069 385702167 /nfs/dbraw/zinc/70/21/67/385702167.db2.gz MWBJBKDSPKGILF-DTWKUNHWSA-N 0 3 249.251 3.817 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@H](C)c1ccc(F)cc1 ZINC000221767119 262743559 /nfs/dbraw/zinc/74/35/59/262743559.db2.gz MWBJBKDSPKGILF-RKDXNWHRSA-N 0 3 249.251 3.817 20 0 BHADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000221804278 398054207 /nfs/dbraw/zinc/05/42/07/398054207.db2.gz QUGWOUWJEDVUJU-WOPDTQHZSA-N 0 3 247.338 3.507 20 0 BHADHN CS[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccco1 ZINC000221806852 347028747 /nfs/dbraw/zinc/02/87/47/347028747.db2.gz VAINQPNVQSNXNI-DMDPSCGWSA-N 0 3 239.384 3.604 20 0 BHADHN C[C@@H](CC(F)(F)F)N[C@@H]1CCc2ccccc21 ZINC000221849865 134328062 /nfs/dbraw/zinc/32/80/62/134328062.db2.gz KLPVXMNHMPEAFK-JOYOIKCWSA-N 0 3 243.272 3.604 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@@H]1CCc2ccccc21 ZINC000221849919 134328118 /nfs/dbraw/zinc/32/81/18/134328118.db2.gz KLPVXMNHMPEAFK-BXKDBHETSA-N 0 3 243.272 3.604 20 0 BHADHN C[C@@H](CC(F)(F)F)N[C@H]1CCc2ccccc21 ZINC000221849969 134328210 /nfs/dbraw/zinc/32/82/10/134328210.db2.gz KLPVXMNHMPEAFK-CABZTGNLSA-N 0 3 243.272 3.604 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@H]1CCc2ccccc21 ZINC000221850025 134328152 /nfs/dbraw/zinc/32/81/52/134328152.db2.gz KLPVXMNHMPEAFK-SKDRFNHKSA-N 0 3 243.272 3.604 20 0 BHADHN C[C@@H](NC[C@@H]1CC1(C)C)c1cc(F)ccc1F ZINC000222045578 387790512 /nfs/dbraw/zinc/79/05/12/387790512.db2.gz PPLMHVDQKCUQIA-ZJUUUORDSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@H](NC[C@@H]1CC1(C)C)c1cc(F)ccc1F ZINC000222045640 387790219 /nfs/dbraw/zinc/79/02/19/387790219.db2.gz PPLMHVDQKCUQIA-UWVGGRQHSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@@H](NC[C@H]1CC1(C)C)c1cc(F)ccc1F ZINC000222045699 387800239 /nfs/dbraw/zinc/80/02/39/387800239.db2.gz PPLMHVDQKCUQIA-NXEZZACHSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@H](NC[C@H]1CC1(C)C)c1cc(F)ccc1F ZINC000222045760 490194407 /nfs/dbraw/zinc/19/44/07/490194407.db2.gz PPLMHVDQKCUQIA-VHSXEESVSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@@H](NC[C@@H]1CC1(C)C)c1ccc(F)cc1F ZINC000222054022 387804577 /nfs/dbraw/zinc/80/45/77/387804577.db2.gz KTZZFUUIVLVVJO-ZJUUUORDSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@H](NC[C@@H]1CC1(C)C)c1ccc(F)cc1F ZINC000222054075 387805045 /nfs/dbraw/zinc/80/50/45/387805045.db2.gz KTZZFUUIVLVVJO-UWVGGRQHSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@@H](NC[C@H]1CC1(C)C)c1ccc(F)cc1F ZINC000222054124 387804639 /nfs/dbraw/zinc/80/46/39/387804639.db2.gz KTZZFUUIVLVVJO-NXEZZACHSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@H](NC[C@H]1CC1(C)C)c1ccc(F)cc1F ZINC000222054172 387804046 /nfs/dbraw/zinc/80/40/46/387804046.db2.gz KTZZFUUIVLVVJO-VHSXEESVSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1nccs1 ZINC000222092336 134329350 /nfs/dbraw/zinc/32/93/50/134329350.db2.gz RYHDPTJQMZVAAR-NOOOWODRSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)c1nccs1 ZINC000222092447 349818823 /nfs/dbraw/zinc/81/88/23/349818823.db2.gz RYHDPTJQMZVAAR-RHYQMDGZSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)C[C@@H]1C)c1nccs1 ZINC000222092598 349819458 /nfs/dbraw/zinc/81/94/58/349819458.db2.gz CJMMQWQVPPPECM-NOOOWODRSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1nccs1 ZINC000222092651 134329097 /nfs/dbraw/zinc/32/90/97/134329097.db2.gz CJMMQWQVPPPECM-KXNHARMFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1nccs1 ZINC000222092706 134329485 /nfs/dbraw/zinc/32/94/85/134329485.db2.gz CJMMQWQVPPPECM-RHYQMDGZSA-N 0 3 238.400 3.618 20 0 BHADHN CCC[C@@H]1C[C@@H]1N[C@@H](CC)c1ccccc1OC ZINC000222161906 259522539 /nfs/dbraw/zinc/52/25/39/259522539.db2.gz LWLAYPBSIQOHPH-SNPRPXQTSA-N 0 3 247.382 3.925 20 0 BHADHN CCC[C@@H]1C[C@H]1N[C@@H](CC)c1ccccc1OC ZINC000222162016 388613596 /nfs/dbraw/zinc/61/35/96/388613596.db2.gz LWLAYPBSIQOHPH-VHDGCEQUSA-N 0 3 247.382 3.925 20 0 BHADHN C[C@@H](NCC1(C)CC1)c1ccc(F)cc1Cl ZINC000222184853 259314798 /nfs/dbraw/zinc/31/47/98/259314798.db2.gz NTYFMYJLEQWUKU-SECBINFHSA-N 0 3 241.737 3.930 20 0 BHADHN C[C@H](NCC1(C)CC1)c1ccc(F)cc1Cl ZINC000222184920 388614869 /nfs/dbraw/zinc/61/48/69/388614869.db2.gz NTYFMYJLEQWUKU-VIFPVBQESA-N 0 3 241.737 3.930 20 0 BHADHN Cc1nc([C@@H](C)NCC2(C(C)C)CC2)cs1 ZINC000222221682 134331038 /nfs/dbraw/zinc/33/10/38/134331038.db2.gz SFSLJMZWDPXLLH-SNVBAGLBSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@H](C)NCC2(C(C)C)CC2)cs1 ZINC000222221731 134331105 /nfs/dbraw/zinc/33/11/05/134331105.db2.gz SFSLJMZWDPXLLH-JTQLQIEISA-N 0 3 238.400 3.538 20 0 BHADHN C[C@@H](NCC1(C)CCCCC1)c1nccs1 ZINC000222266094 134330878 /nfs/dbraw/zinc/33/08/78/134330878.db2.gz ZGWAIQQHWGMZFH-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN C[C@H](NCC1(C)CCCCC1)c1nccs1 ZINC000222266151 134330939 /nfs/dbraw/zinc/33/09/39/134330939.db2.gz ZGWAIQQHWGMZFH-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN C[C@@H](NCC1(C)CCCCC1)c1ccco1 ZINC000222268920 388617212 /nfs/dbraw/zinc/61/72/12/388617212.db2.gz NIAHXABZLJHUDN-GFCCVEGCSA-N 0 3 221.344 3.901 20 0 BHADHN C[C@H](NCC1(C)CCCCC1)c1ccco1 ZINC000222268969 259324771 /nfs/dbraw/zinc/32/47/71/259324771.db2.gz NIAHXABZLJHUDN-LBPRGKRZSA-N 0 3 221.344 3.901 20 0 BHADHN C[C@@H](NCC1(C)CCCCC1)c1cscn1 ZINC000222269426 358158338 /nfs/dbraw/zinc/15/83/38/358158338.db2.gz REMQNSBESLKPKW-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN C[C@H](NCC1(C)CCCCC1)c1cscn1 ZINC000222269484 358158099 /nfs/dbraw/zinc/15/80/99/358158099.db2.gz REMQNSBESLKPKW-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN CCCC[C@@H](C)NCc1ccc(OC)cc1F ZINC000222282789 388618486 /nfs/dbraw/zinc/61/84/86/388618486.db2.gz UTBANHLLRCQDMA-LLVKDONJSA-N 0 3 239.334 3.503 20 0 BHADHN CCCC[C@H](C)NCc1ccc(OC)cc1F ZINC000222282843 388618302 /nfs/dbraw/zinc/61/83/02/388618302.db2.gz UTBANHLLRCQDMA-NSHDSACASA-N 0 3 239.334 3.503 20 0 BHADHN CCCC1(CN[C@@H](C)c2csc(C)n2)CC1 ZINC000222297756 134331463 /nfs/dbraw/zinc/33/14/63/134331463.db2.gz VVQGFTDCSOUEHA-JTQLQIEISA-N 0 3 238.400 3.682 20 0 BHADHN CCCC1(CN[C@H](C)c2csc(C)n2)CC1 ZINC000222297812 134331470 /nfs/dbraw/zinc/33/14/70/134331470.db2.gz VVQGFTDCSOUEHA-SNVBAGLBSA-N 0 3 238.400 3.682 20 0 BHADHN CCC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000222453717 386045840 /nfs/dbraw/zinc/04/58/40/386045840.db2.gz FIRYZAAKOLFCEH-SWLSCSKDSA-N 0 3 243.354 3.602 20 0 BHADHN CCC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000222453764 386047748 /nfs/dbraw/zinc/04/77/48/386047748.db2.gz FIRYZAAKOLFCEH-WFASDCNBSA-N 0 3 243.354 3.602 20 0 BHADHN CCC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 ZINC000222453830 386046798 /nfs/dbraw/zinc/04/67/98/386046798.db2.gz FIRYZAAKOLFCEH-IUODEOHRSA-N 0 3 243.354 3.602 20 0 BHADHN CCC[C@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 ZINC000222453898 386046281 /nfs/dbraw/zinc/04/62/81/386046281.db2.gz FIRYZAAKOLFCEH-DOMZBBRYSA-N 0 3 243.354 3.602 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(C)cc1 ZINC000222498365 350242134 /nfs/dbraw/zinc/24/21/34/350242134.db2.gz DGEJHXQGUAABPQ-SWLSCSKDSA-N 0 3 243.354 3.520 20 0 BHADHN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccc(C)cc1 ZINC000222498431 386048876 /nfs/dbraw/zinc/04/88/76/386048876.db2.gz DGEJHXQGUAABPQ-WFASDCNBSA-N 0 3 243.354 3.520 20 0 BHADHN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccc(C)cc1 ZINC000222498479 350242470 /nfs/dbraw/zinc/24/24/70/350242470.db2.gz DGEJHXQGUAABPQ-IUODEOHRSA-N 0 3 243.354 3.520 20 0 BHADHN CC[C@H](N[C@H](C)c1cn[nH]c1)c1ccc(C)cc1 ZINC000222498546 386049324 /nfs/dbraw/zinc/04/93/24/386049324.db2.gz DGEJHXQGUAABPQ-DOMZBBRYSA-N 0 3 243.354 3.520 20 0 BHADHN C[C@@H](NC1CCCCC1)c1cccc(F)c1F ZINC000222717430 388644184 /nfs/dbraw/zinc/64/41/84/388644184.db2.gz VBDKGNSWWLYANJ-SNVBAGLBSA-N 0 3 239.309 3.948 20 0 BHADHN C[C@H](NC1CCCCC1)c1cccc(F)c1F ZINC000222717488 388644079 /nfs/dbraw/zinc/64/40/79/388644079.db2.gz VBDKGNSWWLYANJ-JTQLQIEISA-N 0 3 239.309 3.948 20 0 BHADHN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1cccc(F)c1F ZINC000222718960 259329083 /nfs/dbraw/zinc/32/90/83/259329083.db2.gz PIGDKUUYPKKUQP-GMTAPVOTSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1cccc(F)c1F ZINC000222719024 388644044 /nfs/dbraw/zinc/64/40/44/388644044.db2.gz PIGDKUUYPKKUQP-OUAUKWLOSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1cccc(F)c1F ZINC000222719075 388643484 /nfs/dbraw/zinc/64/34/84/388643484.db2.gz PIGDKUUYPKKUQP-MXWKQRLJSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1cccc(F)c1F ZINC000222719147 259328994 /nfs/dbraw/zinc/32/89/94/259328994.db2.gz PIGDKUUYPKKUQP-VWYCJHECSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1cccc(F)c1F ZINC000222720408 388644227 /nfs/dbraw/zinc/64/42/27/388644227.db2.gz YRKRFEPAMUPZTL-OUJBWJOFSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CCC[C@@H]1C)c1cccc(F)c1F ZINC000222720518 388644163 /nfs/dbraw/zinc/64/41/63/388644163.db2.gz YRKRFEPAMUPZTL-KWBADKCTSA-N 0 3 239.309 3.804 20 0 BHADHN CCc1ccc(CN[C@@H](C)CC(F)(F)F)cc1 ZINC000222923396 388646491 /nfs/dbraw/zinc/64/64/91/388646491.db2.gz DRGYCQURQXZPGI-JTQLQIEISA-N 0 3 245.288 3.680 20 0 BHADHN CCc1ccc(CN[C@H](C)CC(F)(F)F)cc1 ZINC000222923451 388645904 /nfs/dbraw/zinc/64/59/04/388645904.db2.gz DRGYCQURQXZPGI-SNVBAGLBSA-N 0 3 245.288 3.680 20 0 BHADHN C[C@@H](c1ccccc1)N1CCc2ccccc2C1 ZINC000222952345 345748078 /nfs/dbraw/zinc/74/80/78/345748078.db2.gz PWLQUEOPKUBKCQ-AWEZNQCLSA-N 0 3 237.346 3.806 20 0 BHADHN C[C@H](c1ccccc1)N1CCc2ccccc2C1 ZINC000222952408 345748109 /nfs/dbraw/zinc/74/81/09/345748109.db2.gz PWLQUEOPKUBKCQ-CQSZACIVSA-N 0 3 237.346 3.806 20 0 BHADHN Cc1ccccc1CN(C)Cc1ccccc1C ZINC000222985662 353094481 /nfs/dbraw/zinc/09/44/81/353094481.db2.gz JMEOCGWFJCYENR-UHFFFAOYSA-N 0 3 239.362 3.935 20 0 BHADHN CCC(CC)(CC)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000223133984 259332212 /nfs/dbraw/zinc/33/22/12/259332212.db2.gz JIAMZDYEOKVJNP-UHFFFAOYSA-N 0 3 239.334 3.590 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccc(C)cc1 ZINC000223624819 388655651 /nfs/dbraw/zinc/65/56/51/388655651.db2.gz JOGPXVUYDVZOOF-ZDUSSCGKSA-N 0 3 203.329 3.612 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccc(C)cc1 ZINC000223624884 388655804 /nfs/dbraw/zinc/65/58/04/388655804.db2.gz JOGPXVUYDVZOOF-CYBMUJFWSA-N 0 3 203.329 3.612 20 0 BHADHN CCOc1ccccc1[C@@H](C)NCC=C(C)C ZINC000223645003 259337741 /nfs/dbraw/zinc/33/77/41/259337741.db2.gz DHLGJSVADKXYSX-CYBMUJFWSA-N 0 3 233.355 3.702 20 0 BHADHN CCOc1ccccc1[C@H](C)NCC=C(C)C ZINC000223645063 259567550 /nfs/dbraw/zinc/56/75/50/259567550.db2.gz DHLGJSVADKXYSX-ZDUSSCGKSA-N 0 3 233.355 3.702 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccc(C)c(C)c1 ZINC000223650174 388655576 /nfs/dbraw/zinc/65/55/76/388655576.db2.gz PEQSVEZAUBOJOG-AWEZNQCLSA-N 0 3 217.356 3.920 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccc(C)c(C)c1 ZINC000223650225 388655543 /nfs/dbraw/zinc/65/55/43/388655543.db2.gz PEQSVEZAUBOJOG-CQSZACIVSA-N 0 3 217.356 3.920 20 0 BHADHN CS[C@@H]1CCC[C@@H](N[C@@H](C)c2ccco2)C1 ZINC000223717915 134339331 /nfs/dbraw/zinc/33/93/31/134339331.db2.gz VTVCXESDFYOARA-QJPTWQEYSA-N 0 3 239.384 3.604 20 0 BHADHN CS[C@@H]1CCC[C@H](N[C@@H](C)c2ccco2)C1 ZINC000223717958 134339130 /nfs/dbraw/zinc/33/91/30/134339130.db2.gz VTVCXESDFYOARA-SDDRHHMPSA-N 0 3 239.384 3.604 20 0 BHADHN CCCCC[C@@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000223769536 583181071 /nfs/dbraw/zinc/18/10/71/583181071.db2.gz UHOXREHYFMTCOU-LLVKDONJSA-N 0 3 239.334 3.590 20 0 BHADHN CCCCC[C@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000223769591 583180992 /nfs/dbraw/zinc/18/09/92/583180992.db2.gz UHOXREHYFMTCOU-NSHDSACASA-N 0 3 239.334 3.590 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccc(C)c(F)c1 ZINC000223893645 388658950 /nfs/dbraw/zinc/65/89/50/388658950.db2.gz SZEZVFIRCTXXNP-LBPRGKRZSA-N 0 3 221.319 3.751 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccc(C)c(F)c1 ZINC000223893696 388659320 /nfs/dbraw/zinc/65/93/20/388659320.db2.gz SZEZVFIRCTXXNP-GFCCVEGCSA-N 0 3 221.319 3.751 20 0 BHADHN CS[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccoc1 ZINC000223992192 357179008 /nfs/dbraw/zinc/17/90/08/357179008.db2.gz VGLIQSBCNTUGLQ-CYZMBNFOSA-N 0 3 239.384 3.604 20 0 BHADHN CC1(CNCc2ccc(Cl)cc2Cl)CC1 ZINC000224168560 384192952 /nfs/dbraw/zinc/19/29/52/384192952.db2.gz ZXCDQNQSPGCTSP-UHFFFAOYSA-N 0 3 244.165 3.883 20 0 BHADHN CC1(CNCc2cccc(Cl)c2Cl)CC1 ZINC000224170696 388661466 /nfs/dbraw/zinc/66/14/66/388661466.db2.gz XAHNXLIHOAOEIV-UHFFFAOYSA-N 0 3 244.165 3.883 20 0 BHADHN CC1(CNCc2c(Cl)cccc2Cl)CC1 ZINC000224172478 388661255 /nfs/dbraw/zinc/66/12/55/388661255.db2.gz PRSBDAVFTSUOMH-UHFFFAOYSA-N 0 3 244.165 3.883 20 0 BHADHN C[C@@H](NCC1(C)CC1)c1ccccc1Cl ZINC000224399881 259349461 /nfs/dbraw/zinc/34/94/61/259349461.db2.gz XCVMVVINMHNISG-SNVBAGLBSA-N 0 3 223.747 3.791 20 0 BHADHN C[C@H](NCC1(C)CC1)c1ccccc1Cl ZINC000224399933 388663959 /nfs/dbraw/zinc/66/39/59/388663959.db2.gz XCVMVVINMHNISG-JTQLQIEISA-N 0 3 223.747 3.791 20 0 BHADHN Clc1ccc(/C=C\CN2CCCCC2)cc1 ZINC000224408950 345749500 /nfs/dbraw/zinc/74/95/00/345749500.db2.gz FJNWTYGQPASGQX-PLNGDYQASA-N 0 3 235.758 3.839 20 0 BHADHN Cc1cc(NCC2(C)CC2)c2ccccc2n1 ZINC000224426359 134347358 /nfs/dbraw/zinc/34/73/58/134347358.db2.gz OKDLUCLDCQBSML-UHFFFAOYSA-N 0 3 226.323 3.755 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@H](C)C2)s1 ZINC000224492049 388665334 /nfs/dbraw/zinc/66/53/34/388665334.db2.gz BXUMCCKEISRASF-ADEWGFFLSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1cnc([C@H](C)N[C@H]2CCC[C@@H](C)C2)s1 ZINC000224492143 388665064 /nfs/dbraw/zinc/66/50/64/388665064.db2.gz BXUMCCKEISRASF-USWWRNFRSA-N 0 3 238.400 3.681 20 0 BHADHN C[C@@H](CC1CCCCC1)NCc1ccccn1 ZINC000224650664 363192723 /nfs/dbraw/zinc/19/27/23/363192723.db2.gz NJIDMLQFRBKZSC-ZDUSSCGKSA-N 0 3 232.371 3.530 20 0 BHADHN CC(C)NCc1cc(Cl)sc1Cl ZINC000224721531 134350367 /nfs/dbraw/zinc/35/03/67/134350367.db2.gz SKZBEDISDAUFMH-UHFFFAOYSA-N 0 3 224.156 3.553 20 0 BHADHN C[C@@H](CN[C@@H](C)c1cccc(F)c1F)C1CC1 ZINC000224981061 491161521 /nfs/dbraw/zinc/16/15/21/491161521.db2.gz RVDUBVNPSMXAKS-UWVGGRQHSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@H](CN[C@@H](C)c1cccc(F)c1F)C1CC1 ZINC000224981101 491161547 /nfs/dbraw/zinc/16/15/47/491161547.db2.gz RVDUBVNPSMXAKS-ZJUUUORDSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@@H](CN[C@H](C)c1cccc(F)c1F)C1CC1 ZINC000224981138 491161511 /nfs/dbraw/zinc/16/15/11/491161511.db2.gz RVDUBVNPSMXAKS-VHSXEESVSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@@H](NC[C@@H](C)C1CC1)c1cccc(F)c1F ZINC000224981175 491161540 /nfs/dbraw/zinc/16/15/40/491161540.db2.gz RVDUBVNPSMXAKS-NXEZZACHSA-N 0 3 239.309 3.662 20 0 BHADHN CC(C)[C@@H](C)CN[C@@H](C)c1cccc(F)c1F ZINC000224994435 259355053 /nfs/dbraw/zinc/35/50/53/259355053.db2.gz HAZBZWXFKRZBPE-QWRGUYRKSA-N 0 3 241.325 3.908 20 0 BHADHN CC(C)[C@H](C)CN[C@@H](C)c1cccc(F)c1F ZINC000224994475 259355065 /nfs/dbraw/zinc/35/50/65/259355065.db2.gz HAZBZWXFKRZBPE-MNOVXSKESA-N 0 3 241.325 3.908 20 0 BHADHN CC(C)[C@@H](C)CN[C@H](C)c1cccc(F)c1F ZINC000224994514 259355059 /nfs/dbraw/zinc/35/50/59/259355059.db2.gz HAZBZWXFKRZBPE-WDEREUQCSA-N 0 3 241.325 3.908 20 0 BHADHN CC(C)[C@H](C)CN[C@H](C)c1cccc(F)c1F ZINC000224994550 259355074 /nfs/dbraw/zinc/35/50/74/259355074.db2.gz HAZBZWXFKRZBPE-GHMZBOCLSA-N 0 3 241.325 3.908 20 0 BHADHN C[C@@H](NC[C@@H]1CC1(C)C)c1cccc(F)c1F ZINC000225002625 487606012 /nfs/dbraw/zinc/60/60/12/487606012.db2.gz SYIMQVBFEHWGDN-ZJUUUORDSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@H](NC[C@@H]1CC1(C)C)c1cccc(F)c1F ZINC000225002662 487605905 /nfs/dbraw/zinc/60/59/05/487605905.db2.gz SYIMQVBFEHWGDN-UWVGGRQHSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@@H](NC[C@H]1CC1(C)C)c1cccc(F)c1F ZINC000225002705 259355221 /nfs/dbraw/zinc/35/52/21/259355221.db2.gz SYIMQVBFEHWGDN-NXEZZACHSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@H](NC[C@H]1CC1(C)C)c1cccc(F)c1F ZINC000225002743 487605927 /nfs/dbraw/zinc/60/59/27/487605927.db2.gz SYIMQVBFEHWGDN-VHSXEESVSA-N 0 3 239.309 3.662 20 0 BHADHN C[C@@H](NCCCC1CC1)c1cccc(F)c1F ZINC000225003792 358245087 /nfs/dbraw/zinc/24/50/87/358245087.db2.gz WOVAMYOIIXIPHU-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@H](NCCCC1CC1)c1cccc(F)c1F ZINC000225003825 358244976 /nfs/dbraw/zinc/24/49/76/358244976.db2.gz WOVAMYOIIXIPHU-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN CCC1(CN[C@@H](C)c2cccc(F)c2F)CC1 ZINC000225005239 398104154 /nfs/dbraw/zinc/10/41/54/398104154.db2.gz RZUIPUIACDMKNK-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN CCC1(CN[C@H](C)c2cccc(F)c2F)CC1 ZINC000225005276 398104492 /nfs/dbraw/zinc/10/44/92/398104492.db2.gz RZUIPUIACDMKNK-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCC1(C)CCC1)c1cccc(F)c1F ZINC000225005331 259580607 /nfs/dbraw/zinc/58/06/07/259580607.db2.gz RBKCRXLZYOCLSV-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@H](NCC1(C)CCC1)c1cccc(F)c1F ZINC000225005367 259580696 /nfs/dbraw/zinc/58/06/96/259580696.db2.gz RBKCRXLZYOCLSV-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCCC1CCC1)c1cccc(F)c1F ZINC000225006092 491161746 /nfs/dbraw/zinc/16/17/46/491161746.db2.gz CFSXERVDSIDDMY-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@H](NCCC1CCC1)c1cccc(F)c1F ZINC000225006129 491161731 /nfs/dbraw/zinc/16/17/31/491161731.db2.gz CFSXERVDSIDDMY-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN CC1(NCc2cc(F)c(F)cc2F)CCCC1 ZINC000225270739 259359065 /nfs/dbraw/zinc/35/90/65/259359065.db2.gz SCIRVONGMGBSES-UHFFFAOYSA-N 0 3 243.272 3.526 20 0 BHADHN CCC[C@@H](CC)NCc1cc(F)c(F)cc1F ZINC000225273584 388678451 /nfs/dbraw/zinc/67/84/51/388678451.db2.gz AIVHZRNQSIXFLU-SNVBAGLBSA-N 0 3 245.288 3.772 20 0 BHADHN CCC[C@H](CC)NCc1cc(F)c(F)cc1F ZINC000225273620 388677736 /nfs/dbraw/zinc/67/77/36/388677736.db2.gz AIVHZRNQSIXFLU-JTQLQIEISA-N 0 3 245.288 3.772 20 0 BHADHN CCCC(C)(C)NCc1cc(F)c(F)cc1F ZINC000225277448 323037270 /nfs/dbraw/zinc/03/72/70/323037270.db2.gz QVCIRXHXQZDFEA-UHFFFAOYSA-N 0 3 245.288 3.772 20 0 BHADHN CCC(C)(CC)NCc1cc(F)c(F)cc1F ZINC000225282146 386182533 /nfs/dbraw/zinc/18/25/33/386182533.db2.gz ZVPXGFOIYWBUFY-UHFFFAOYSA-N 0 3 245.288 3.772 20 0 BHADHN CC(C)(NCc1ccc(F)cc1Cl)C1CC1 ZINC000225287985 388720371 /nfs/dbraw/zinc/72/03/71/388720371.db2.gz ZYXHMVVLWSAMSM-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN Clc1cnc(CNC2CCCCCC2)s1 ZINC000225294960 345140203 /nfs/dbraw/zinc/14/02/03/345140203.db2.gz FZVLJOOCBAUBIF-UHFFFAOYSA-N 0 3 244.791 3.609 20 0 BHADHN C[C@@H]1CN(C/C=C\c2ccccc2)C[C@H](C)S1 ZINC000225308830 345750328 /nfs/dbraw/zinc/75/03/28/345750328.db2.gz GTHJHVJECLNTPI-JDPNTUOHSA-N 0 3 247.407 3.526 20 0 BHADHN C[C@@H]1CN(C/C=C/c2ccccc2)C[C@H](C)S1 ZINC000225308863 350358881 /nfs/dbraw/zinc/35/88/81/350358881.db2.gz GTHJHVJECLNTPI-YLXGSJGQSA-N 0 3 247.407 3.526 20 0 BHADHN CC1(NCc2ncc(Cl)s2)CCCCC1 ZINC000225337084 535188864 /nfs/dbraw/zinc/18/88/64/535188864.db2.gz ZIYOAYSQXGECMB-UHFFFAOYSA-N 0 3 244.791 3.609 20 0 BHADHN C[C@@H](CNCc1ncc(Cl)s1)C(C)(C)C ZINC000225348283 711828123 /nfs/dbraw/zinc/82/81/23/711828123.db2.gz OBOYIOXGSVFRGQ-QMMMGPOBSA-N 0 3 246.807 3.568 20 0 BHADHN C[C@H](CNCc1ncc(Cl)s1)C(C)(C)C ZINC000225348321 711828044 /nfs/dbraw/zinc/82/80/44/711828044.db2.gz OBOYIOXGSVFRGQ-MRVPVSSYSA-N 0 3 246.807 3.568 20 0 BHADHN CCC(CC)(CC)NCc1ncc(Cl)s1 ZINC000225356569 388677944 /nfs/dbraw/zinc/67/79/44/388677944.db2.gz UCZAXODPMOADNM-UHFFFAOYSA-N 0 3 246.807 3.855 20 0 BHADHN CC[C@@H](C)C[C@@H](C)NCc1ncc(Cl)s1 ZINC000225358834 134354905 /nfs/dbraw/zinc/35/49/05/134354905.db2.gz JHBPFRBIBKMRIL-RKDXNWHRSA-N 0 3 246.807 3.711 20 0 BHADHN CC[C@H](C)C[C@@H](C)NCc1ncc(Cl)s1 ZINC000225358870 134354716 /nfs/dbraw/zinc/35/47/16/134354716.db2.gz JHBPFRBIBKMRIL-DTWKUNHWSA-N 0 3 246.807 3.711 20 0 BHADHN CC[C@@H](C)C[C@H](C)NCc1ncc(Cl)s1 ZINC000225358904 134355029 /nfs/dbraw/zinc/35/50/29/134355029.db2.gz JHBPFRBIBKMRIL-BDAKNGLRSA-N 0 3 246.807 3.711 20 0 BHADHN CC[C@H](C)C[C@H](C)NCc1ncc(Cl)s1 ZINC000225358934 134354677 /nfs/dbraw/zinc/35/46/77/134354677.db2.gz JHBPFRBIBKMRIL-IUCAKERBSA-N 0 3 246.807 3.711 20 0 BHADHN CC(C)[C@@H](CNCc1ccco1)c1ccccc1 ZINC000225617972 388682023 /nfs/dbraw/zinc/68/20/23/388682023.db2.gz PHCQAFUQFUSWBI-MRXNPFEDSA-N 0 3 243.350 3.809 20 0 BHADHN CC(C)[C@H](CNCc1ccco1)c1ccccc1 ZINC000225618001 388681248 /nfs/dbraw/zinc/68/12/48/388681248.db2.gz PHCQAFUQFUSWBI-INIZCTEOSA-N 0 3 243.350 3.809 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H]2CC=CCC2)o1 ZINC000225628317 388682348 /nfs/dbraw/zinc/68/23/48/388682348.db2.gz IPQYLCRSKFZVCO-NFAWXSAZSA-N 0 3 245.366 3.849 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H]2CC=CCC2)o1 ZINC000225628371 388683076 /nfs/dbraw/zinc/68/30/76/388683076.db2.gz IPQYLCRSKFZVCO-UMVBOHGHSA-N 0 3 245.366 3.849 20 0 BHADHN CC(C)[C@@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC000225892880 363210266 /nfs/dbraw/zinc/21/02/66/363210266.db2.gz QMDGIIQLCWRXFV-AWEZNQCLSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)[C@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC000225892894 345751137 /nfs/dbraw/zinc/75/11/37/345751137.db2.gz QMDGIIQLCWRXFV-CQSZACIVSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H](CC1CC1)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000226131619 134359403 /nfs/dbraw/zinc/35/94/03/134359403.db2.gz XPHIMFRIHWPSRF-MISXGVKJSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@H](CC1CC1)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000226131628 134359469 /nfs/dbraw/zinc/35/94/69/134359469.db2.gz XPHIMFRIHWPSRF-WDMOLILDSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H]1CC[C@@H](NCc2ccc(Cl)o2)[C@@H](C)C1 ZINC000226167918 388708276 /nfs/dbraw/zinc/70/82/76/388708276.db2.gz ICTBNCBIKVZVQH-JFGNBEQYSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@@H]1CC[C@H](NCc2ccc(Cl)o2)[C@@H](C)C1 ZINC000226167932 323326421 /nfs/dbraw/zinc/32/64/21/323326421.db2.gz ICTBNCBIKVZVQH-SCVCMEIPSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H]2CC2(C)C)o1 ZINC000226253975 134361894 /nfs/dbraw/zinc/36/18/94/134361894.db2.gz SVTLSEJCSCBWRU-MDZLAQPJSA-N 0 3 233.355 3.539 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H]2CC2(C)C)o1 ZINC000226253987 134361961 /nfs/dbraw/zinc/36/19/61/134361961.db2.gz SVTLSEJCSCBWRU-NTZNESFSSA-N 0 3 233.355 3.539 20 0 BHADHN CC1(C)C[C@@H]1CNCc1c(F)cccc1Cl ZINC000226256303 387308077 /nfs/dbraw/zinc/30/80/77/387308077.db2.gz YXLPZRMAUSYCOJ-SECBINFHSA-N 0 3 241.737 3.615 20 0 BHADHN CC1(C)C[C@H]1CNCc1c(F)cccc1Cl ZINC000226256309 387308252 /nfs/dbraw/zinc/30/82/52/387308252.db2.gz YXLPZRMAUSYCOJ-VIFPVBQESA-N 0 3 241.737 3.615 20 0 BHADHN CCCC[C@@H](CCC)NCc1nccs1 ZINC000226268962 538115227 /nfs/dbraw/zinc/11/52/27/538115227.db2.gz WRNLGCOLZYPJRK-LLVKDONJSA-N 0 3 226.389 3.592 20 0 BHADHN CCCC[C@H](CCC)NCc1nccs1 ZINC000226268969 538115207 /nfs/dbraw/zinc/11/52/07/538115207.db2.gz WRNLGCOLZYPJRK-NSHDSACASA-N 0 3 226.389 3.592 20 0 BHADHN C[C@@H](NC[C@@H]1C[C@@H]1C)c1ccccc1Cl ZINC000226314207 388714703 /nfs/dbraw/zinc/71/47/03/388714703.db2.gz BTWADYFWUHSRBP-AXFHLTTASA-N 0 3 223.747 3.647 20 0 BHADHN C[C@@H](NC[C@H]1C[C@@H]1C)c1ccccc1Cl ZINC000226314214 388714613 /nfs/dbraw/zinc/71/46/13/388714613.db2.gz BTWADYFWUHSRBP-HBNTYKKESA-N 0 3 223.747 3.647 20 0 BHADHN C[C@@H](N[C@@H]1CCC[C@@H](C)CC1)c1nccs1 ZINC000226502324 134364079 /nfs/dbraw/zinc/36/40/79/134364079.db2.gz GJCDCKCTTCCWIN-IJLUTSLNSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@H]1CCC[C@@H](C)CC1)c1nccs1 ZINC000226502329 134364159 /nfs/dbraw/zinc/36/41/59/134364159.db2.gz GJCDCKCTTCCWIN-UTUOFQBUSA-N 0 3 238.400 3.763 20 0 BHADHN CC1(C)C[C@@H]1CNc1ccnc2ccccc21 ZINC000226531160 134364243 /nfs/dbraw/zinc/36/42/43/134364243.db2.gz JDMQMYKYHRCVRT-LLVKDONJSA-N 0 3 226.323 3.693 20 0 BHADHN CC1(C)C[C@H]1CNc1ccnc2ccccc21 ZINC000226531164 534919621 /nfs/dbraw/zinc/91/96/21/534919621.db2.gz JDMQMYKYHRCVRT-NSHDSACASA-N 0 3 226.323 3.693 20 0 BHADHN CCC1(CN[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000226773953 388729975 /nfs/dbraw/zinc/72/99/75/388729975.db2.gz OIUCUGVRVUGNMT-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN CCC1(CN[C@H](C)c2cc(F)ccc2F)CC1 ZINC000226773958 388729926 /nfs/dbraw/zinc/72/99/26/388729926.db2.gz OIUCUGVRVUGNMT-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN CCC1(CN[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000226773964 388729393 /nfs/dbraw/zinc/72/93/93/388729393.db2.gz AFZWIAVVGUCEOU-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN CCC1(CN[C@H](C)c2ccc(F)cc2F)CC1 ZINC000226773974 388729335 /nfs/dbraw/zinc/72/93/35/388729335.db2.gz AFZWIAVVGUCEOU-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCC1(C)CCC1)c1c(F)cccc1F ZINC000226774615 259618451 /nfs/dbraw/zinc/61/84/51/259618451.db2.gz MFOGEYOQSZXXDE-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@H](NCC1(C)CCC1)c1c(F)cccc1F ZINC000226774625 388729374 /nfs/dbraw/zinc/72/93/74/388729374.db2.gz MFOGEYOQSZXXDE-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCC1(C)CCC1)c1cc(F)ccc1F ZINC000226774764 388729564 /nfs/dbraw/zinc/72/95/64/388729564.db2.gz ZXJNWUOWMOLFBR-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@H](NCC1(C)CCC1)c1cc(F)ccc1F ZINC000226774772 388729940 /nfs/dbraw/zinc/72/99/40/388729940.db2.gz ZXJNWUOWMOLFBR-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCC1(C)CCC1)c1ccc(F)cc1F ZINC000226774783 388559640 /nfs/dbraw/zinc/55/96/40/388559640.db2.gz SVPZHCSGEBMEAX-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@H](NCC1(C)CCC1)c1ccc(F)cc1F ZINC000226774792 388729329 /nfs/dbraw/zinc/72/93/29/388729329.db2.gz SVPZHCSGEBMEAX-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN CCC1(CNCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000226785358 134368858 /nfs/dbraw/zinc/36/88/58/134368858.db2.gz IIDLXJMCVHZBBR-WCQYABFASA-N 0 3 233.355 3.683 20 0 BHADHN CCC1(CNCc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000226785364 134368866 /nfs/dbraw/zinc/36/88/66/134368866.db2.gz IIDLXJMCVHZBBR-AAEUAGOBSA-N 0 3 233.355 3.683 20 0 BHADHN CCC1(CNCc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000226785370 134368922 /nfs/dbraw/zinc/36/89/22/134368922.db2.gz IIDLXJMCVHZBBR-DGCLKSJQSA-N 0 3 233.355 3.683 20 0 BHADHN CCC1(CNCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000226785375 134368863 /nfs/dbraw/zinc/36/88/63/134368863.db2.gz IIDLXJMCVHZBBR-YPMHNXCESA-N 0 3 233.355 3.683 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNCC2(C)CCC2)o1 ZINC000226788044 134368836 /nfs/dbraw/zinc/36/88/36/134368836.db2.gz WBLXSZIQFLRCFI-YPMHNXCESA-N 0 3 233.355 3.683 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNCC2(C)CCC2)o1 ZINC000226788051 134369019 /nfs/dbraw/zinc/36/90/19/134369019.db2.gz WBLXSZIQFLRCFI-AAEUAGOBSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNCC2(C)CCC2)o1 ZINC000226788058 134368972 /nfs/dbraw/zinc/36/89/72/134368972.db2.gz WBLXSZIQFLRCFI-DGCLKSJQSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNCC2(C)CCC2)o1 ZINC000226788066 134369114 /nfs/dbraw/zinc/36/91/14/134369114.db2.gz WBLXSZIQFLRCFI-WCQYABFASA-N 0 3 233.355 3.683 20 0 BHADHN C[C@@H](NCC[C@@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000226859276 388732771 /nfs/dbraw/zinc/73/27/71/388732771.db2.gz UDXFKBWQOKRQMQ-KFWWJZLASA-N 0 3 246.398 3.949 20 0 BHADHN C[C@@H](NCC[C@H]1CCC[C@@H](C)C1)c1ccccn1 ZINC000226859287 388732823 /nfs/dbraw/zinc/73/28/23/388732823.db2.gz UDXFKBWQOKRQMQ-RBSFLKMASA-N 0 3 246.398 3.949 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000227093086 535935520 /nfs/dbraw/zinc/93/55/20/535935520.db2.gz IJZJWSIUMWBWCN-UTUOFQBUSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000227093099 134374796 /nfs/dbraw/zinc/37/47/96/134374796.db2.gz IJZJWSIUMWBWCN-WOPDTQHZSA-N 0 3 238.400 3.763 20 0 BHADHN Cc1csc([C@H](C)N[C@@H]2CCC[C@@H](C)C2)n1 ZINC000227104623 134373046 /nfs/dbraw/zinc/37/30/46/134373046.db2.gz VILOQEJGRNZLGO-ADEWGFFLSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@H]2CCC[C@@H](C)C2)n1 ZINC000227104640 134372852 /nfs/dbraw/zinc/37/28/52/134372852.db2.gz VILOQEJGRNZLGO-USWWRNFRSA-N 0 3 238.400 3.681 20 0 BHADHN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1cc(F)ccc1F ZINC000227190032 491055768 /nfs/dbraw/zinc/05/57/68/491055768.db2.gz NQOYDIIZZJKOHN-CKYFFXLPSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1cc(F)ccc1F ZINC000227190038 491055741 /nfs/dbraw/zinc/05/57/41/491055741.db2.gz NQOYDIIZZJKOHN-FOGDFJRCSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1F ZINC000227190494 388742878 /nfs/dbraw/zinc/74/28/78/388742878.db2.gz LICGJCUMCLSXLM-CKYFFXLPSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1ccc(F)cc1F ZINC000227190499 388743639 /nfs/dbraw/zinc/74/36/39/388743639.db2.gz LICGJCUMCLSXLM-FOGDFJRCSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1c(F)cccc1F ZINC000227198107 388744017 /nfs/dbraw/zinc/74/40/17/388744017.db2.gz QYVMAIRMMRIRGP-GMTAPVOTSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1c(F)cccc1F ZINC000227198119 388744052 /nfs/dbraw/zinc/74/40/52/388744052.db2.gz QYVMAIRMMRIRGP-MXWKQRLJSA-N 0 3 239.309 3.804 20 0 BHADHN Cc1ccc(F)c(CNCCC2CCCC2)c1 ZINC000227282662 388746648 /nfs/dbraw/zinc/74/66/48/388746648.db2.gz JXJPHNBYJRSLBS-UHFFFAOYSA-N 0 3 235.346 3.804 20 0 BHADHN Cc1ccc(F)c(CNCCc2ccsc2)c1 ZINC000227282765 134379596 /nfs/dbraw/zinc/37/95/96/134379596.db2.gz DVFNZMSCYVHWNA-UHFFFAOYSA-N 0 3 249.354 3.528 20 0 BHADHN C[C@@H](N[C@@H]1CCC[C@@H](C)CC1)c1cscn1 ZINC000227310999 323099647 /nfs/dbraw/zinc/09/96/47/323099647.db2.gz FTUWVKLLSLFALJ-IJLUTSLNSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1cscn1 ZINC000227311007 324835350 /nfs/dbraw/zinc/83/53/50/324835350.db2.gz FTUWVKLLSLFALJ-GRYCIOLGSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@H]1CCC[C@@H](C)CC1)c1cscn1 ZINC000227311015 324835232 /nfs/dbraw/zinc/83/52/32/324835232.db2.gz FTUWVKLLSLFALJ-UTUOFQBUSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@H]1CCC[C@@H](C)CC1)c1cscn1 ZINC000227311022 388756639 /nfs/dbraw/zinc/75/66/39/388756639.db2.gz FTUWVKLLSLFALJ-WOPDTQHZSA-N 0 3 238.400 3.763 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cccc(C)c1 ZINC000227349246 388749125 /nfs/dbraw/zinc/74/91/25/388749125.db2.gz PNMYODZYWNTGEO-ZDUSSCGKSA-N 0 3 203.329 3.612 20 0 BHADHN C[C@@H](NC[C@@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000227575515 134386001 /nfs/dbraw/zinc/38/60/01/134386001.db2.gz ZWZBJCSZEYHBCI-IJLUTSLNSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@@H](NC[C@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000227575521 134386125 /nfs/dbraw/zinc/38/61/25/134386125.db2.gz ZWZBJCSZEYHBCI-UTUOFQBUSA-N 0 3 238.400 3.620 20 0 BHADHN CCC1(CN[C@@H](C)c2csc(C)n2)CCC1 ZINC000227591166 535296904 /nfs/dbraw/zinc/29/69/04/535296904.db2.gz VVZFPLPAXBAFLM-JTQLQIEISA-N 0 3 238.400 3.682 20 0 BHADHN CCC1(CN[C@H](C)c2csc(C)n2)CCC1 ZINC000227591169 134385426 /nfs/dbraw/zinc/38/54/26/134385426.db2.gz VVZFPLPAXBAFLM-SNVBAGLBSA-N 0 3 238.400 3.682 20 0 BHADHN CC(C)(NCC1CCCCC1)c1nccs1 ZINC000227633951 134389143 /nfs/dbraw/zinc/38/91/43/134389143.db2.gz JFJQFXGOMMIELR-UHFFFAOYSA-N 0 3 238.400 3.548 20 0 BHADHN CCC1(CNCc2c(F)cccc2F)CCC1 ZINC000227762530 134392936 /nfs/dbraw/zinc/39/29/36/134392936.db2.gz KYRLNJXJBCGEJK-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN CCC1(CNCc2cccc(F)c2F)CCC1 ZINC000227762790 323075781 /nfs/dbraw/zinc/07/57/81/323075781.db2.gz AKTHDQTURMIUFE-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN CCC1(CNCc2cc(F)ccc2F)CCC1 ZINC000227763275 134393234 /nfs/dbraw/zinc/39/32/34/134393234.db2.gz MOYJDIAFMOHEBV-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN CCC1(CNCc2ccc(F)cc2F)CCC1 ZINC000227763284 323075774 /nfs/dbraw/zinc/07/57/74/323075774.db2.gz FHNBNSYNXITGTA-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN CCc1ccc([C@@H](C)NC/C=C/Cl)cc1 ZINC000227771522 640848389 /nfs/dbraw/zinc/84/83/89/640848389.db2.gz UKLQEAJORYBYIW-VCFDLTMXSA-N 0 3 223.747 3.652 20 0 BHADHN CCc1ccc([C@H](C)NC/C=C/Cl)cc1 ZINC000227771527 640848011 /nfs/dbraw/zinc/84/80/11/640848011.db2.gz UKLQEAJORYBYIW-VKJYCEFSSA-N 0 3 223.747 3.652 20 0 BHADHN CC(C)c1ccc(CNC/C=C/Cl)cc1 ZINC000227772104 640848079 /nfs/dbraw/zinc/84/80/79/640848079.db2.gz BKWWEGBAMXRTDV-FPYGCLRLSA-N 0 3 223.747 3.652 20 0 BHADHN CC(C)C1(CN[C@@H](C)c2ccccc2F)CC1 ZINC000227791176 388758912 /nfs/dbraw/zinc/75/89/12/388758912.db2.gz IPMZFGUQUIELJT-LBPRGKRZSA-N 0 3 235.346 3.913 20 0 BHADHN CC(C)C1(CN[C@H](C)c2ccccc2F)CC1 ZINC000227791180 388757817 /nfs/dbraw/zinc/75/78/17/388757817.db2.gz IPMZFGUQUIELJT-GFCCVEGCSA-N 0 3 235.346 3.913 20 0 BHADHN Cc1cnc(CNCC2CCCCCC2)s1 ZINC000228041390 387061621 /nfs/dbraw/zinc/06/16/21/387061621.db2.gz GCUDAYJMUDDTPZ-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN C[C@@H]1C[C@@H]1CN[C@@H](c1ccco1)c1ccccc1 ZINC000228294980 323082184 /nfs/dbraw/zinc/08/21/84/323082184.db2.gz OGEXRKHAXAKMFM-XNRPHZJLSA-N 0 3 241.334 3.615 20 0 BHADHN C[C@@H]1C[C@H]1CN[C@@H](c1ccco1)c1ccccc1 ZINC000228294998 323082193 /nfs/dbraw/zinc/08/21/93/323082193.db2.gz OGEXRKHAXAKMFM-IVMMDQJWSA-N 0 3 241.334 3.615 20 0 BHADHN CCc1nc([C@H](C)N[C@H](C)[C@H](C)CC)cs1 ZINC000228365921 385705237 /nfs/dbraw/zinc/70/52/37/385705237.db2.gz OURPFZSIVVZGIU-MXWKQRLJSA-N 0 3 240.416 3.791 20 0 BHADHN CCc1nc([C@H](C)N[C@@H](C)[C@H](C)CC)cs1 ZINC000228365930 385704250 /nfs/dbraw/zinc/70/42/50/385704250.db2.gz OURPFZSIVVZGIU-VWYCJHECSA-N 0 3 240.416 3.791 20 0 BHADHN CC(C)=CCN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000228500954 385849780 /nfs/dbraw/zinc/84/97/80/385849780.db2.gz AUVXOFQNSAQECO-OAHLLOKOSA-N 0 3 233.330 3.833 20 0 BHADHN CC(C)=CCN[C@H](c1ccc(F)cc1)C1CC1 ZINC000228500961 385849859 /nfs/dbraw/zinc/84/98/59/385849859.db2.gz AUVXOFQNSAQECO-HNNXBMFYSA-N 0 3 233.330 3.833 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccncc2C)s1 ZINC000228657105 635463407 /nfs/dbraw/zinc/46/34/07/635463407.db2.gz IMIGSPLOCNKHDL-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cnccc1CN[C@H](C)c1ccccc1C ZINC000228659444 386596923 /nfs/dbraw/zinc/59/69/23/386596923.db2.gz LABXOBUIQJPWFP-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN CC[C@@H](NCc1ccncc1C)c1ccccc1 ZINC000228662482 350550919 /nfs/dbraw/zinc/55/09/19/350550919.db2.gz OUJSNNUUWXONAZ-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@H](NCc1ccncc1C)c1ccccc1 ZINC000228662494 386597117 /nfs/dbraw/zinc/59/71/17/386597117.db2.gz OUJSNNUUWXONAZ-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN Cc1nc([C@H](C)N[C@@H]2CC[C@@H](C)C2)c(C)s1 ZINC000228906535 640904434 /nfs/dbraw/zinc/90/44/34/640904434.db2.gz GVHZMXRAWPWRSU-VDDIYKPWSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@H](C)N[C@H]2CC[C@@H](C)C2)c(C)s1 ZINC000228906556 640904616 /nfs/dbraw/zinc/90/46/16/640904616.db2.gz GVHZMXRAWPWRSU-PTRXPTGYSA-N 0 3 238.400 3.599 20 0 BHADHN CSC(C)(C)CN[C@@H](C)c1cc(C)oc1C ZINC000229086471 386678418 /nfs/dbraw/zinc/67/84/18/386678418.db2.gz FRFVFPCCRXXQBE-JTQLQIEISA-N 0 3 241.400 3.689 20 0 BHADHN CSC(C)(C)CN[C@H](C)c1cc(C)oc1C ZINC000229086485 386678819 /nfs/dbraw/zinc/67/88/19/386678819.db2.gz FRFVFPCCRXXQBE-SNVBAGLBSA-N 0 3 241.400 3.689 20 0 BHADHN C[C@@H](N[C@@H]1CCCC(C)(C)C1)c1cscn1 ZINC000229132279 388833639 /nfs/dbraw/zinc/83/36/39/388833639.db2.gz CSYRKSCYGRATFZ-GHMZBOCLSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@@H]1CCCC(C)(C)C1)c1cscn1 ZINC000229132285 388833418 /nfs/dbraw/zinc/83/34/18/388833418.db2.gz CSYRKSCYGRATFZ-WDEREUQCSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@H]1CCCC(C)(C)C1)c1cscn1 ZINC000229132289 388833587 /nfs/dbraw/zinc/83/35/87/388833587.db2.gz CSYRKSCYGRATFZ-MNOVXSKESA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@H]1CCCC(C)(C)C1)c1cscn1 ZINC000229132292 388832863 /nfs/dbraw/zinc/83/28/63/388832863.db2.gz CSYRKSCYGRATFZ-QWRGUYRKSA-N 0 3 238.400 3.763 20 0 BHADHN CC(C)(NCc1cc(Cl)ccc1F)C1CC1 ZINC000229196167 388837789 /nfs/dbraw/zinc/83/77/89/388837789.db2.gz YXBNUPCCDXSDNZ-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN CC1(CNCc2cc(Cl)ccc2Cl)CC1 ZINC000229197665 388781640 /nfs/dbraw/zinc/78/16/40/388781640.db2.gz ICSFVLWZWLOYTI-UHFFFAOYSA-N 0 3 244.165 3.883 20 0 BHADHN CCOc1ccccc1CNCCC1=CCCC1 ZINC000229200787 387159645 /nfs/dbraw/zinc/15/96/45/387159645.db2.gz MMEYIGNWLRFVIO-UHFFFAOYSA-N 0 3 245.366 3.675 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNCCC2=CCCC2)o1 ZINC000229202073 387161863 /nfs/dbraw/zinc/16/18/63/387161863.db2.gz YSOBYJZUWPKPDV-DOMZBBRYSA-N 0 3 245.366 3.993 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNCCC2=CCCC2)o1 ZINC000229202086 387161963 /nfs/dbraw/zinc/16/19/63/387161963.db2.gz YSOBYJZUWPKPDV-WFASDCNBSA-N 0 3 245.366 3.993 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNCCC2=CCCC2)o1 ZINC000229202100 387161745 /nfs/dbraw/zinc/16/17/45/387161745.db2.gz YSOBYJZUWPKPDV-IUODEOHRSA-N 0 3 245.366 3.993 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNCCC2=CCCC2)o1 ZINC000229202112 387162764 /nfs/dbraw/zinc/16/27/64/387162764.db2.gz YSOBYJZUWPKPDV-SWLSCSKDSA-N 0 3 245.366 3.993 20 0 BHADHN Cc1ccc(F)c(CNCCC2=CCCC2)c1 ZINC000229202352 387163017 /nfs/dbraw/zinc/16/30/17/387163017.db2.gz IWONAIXDACTMME-UHFFFAOYSA-N 0 3 233.330 3.724 20 0 BHADHN Fc1cccc(CNCCC2=CCCC2)c1F ZINC000229202505 491109279 /nfs/dbraw/zinc/10/92/79/491109279.db2.gz WGKXASYGHYPSNG-UHFFFAOYSA-N 0 3 237.293 3.555 20 0 BHADHN COc1ccc(C)cc1CNCCC1=CCCC1 ZINC000229202592 387161980 /nfs/dbraw/zinc/16/19/80/387161980.db2.gz KAZXRDUURQWDPR-UHFFFAOYSA-N 0 3 245.366 3.594 20 0 BHADHN C[C@@H](c1ccccc1F)N(C)[C@@H]1C=CCCC1 ZINC000229494205 372157758 /nfs/dbraw/zinc/15/77/58/372157758.db2.gz QMRDHXLDRYLZGW-QWHCGFSZSA-N 0 3 233.330 3.927 20 0 BHADHN C[C@H](c1ccccc1F)N(C)[C@@H]1C=CCCC1 ZINC000229494216 372158342 /nfs/dbraw/zinc/15/83/42/372158342.db2.gz QMRDHXLDRYLZGW-CHWSQXEVSA-N 0 3 233.330 3.927 20 0 BHADHN C[C@@H]1c2ccsc2CCN1[C@@H]1C=CCCC1 ZINC000229496608 372157834 /nfs/dbraw/zinc/15/78/34/372157834.db2.gz AKEFYLUVCUECCA-VXGBXAGGSA-N 0 3 233.380 3.776 20 0 BHADHN C[C@H]1c2ccsc2CCN1[C@@H]1C=CCCC1 ZINC000229496619 372158248 /nfs/dbraw/zinc/15/82/48/372158248.db2.gz AKEFYLUVCUECCA-NWDGAFQWSA-N 0 3 233.380 3.776 20 0 BHADHN CSCCCCCNCc1ccc(Cl)o1 ZINC000229518627 387175779 /nfs/dbraw/zinc/17/57/79/387175779.db2.gz IYHMTEFUIGGKKK-UHFFFAOYSA-N 0 3 247.791 3.556 20 0 BHADHN CC(C)C(CN[C@@H](C)c1cscn1)C(C)C ZINC000229530685 388793246 /nfs/dbraw/zinc/79/32/46/388793246.db2.gz BTWALNFXOCEXRU-NSHDSACASA-N 0 3 240.416 3.722 20 0 BHADHN CC(C)C(CN[C@H](C)c1cscn1)C(C)C ZINC000229530697 388793959 /nfs/dbraw/zinc/79/39/59/388793959.db2.gz BTWALNFXOCEXRU-LLVKDONJSA-N 0 3 240.416 3.722 20 0 BHADHN Cc1ccoc1CNCC1(C)CCCCC1 ZINC000229586752 388796752 /nfs/dbraw/zinc/79/67/52/388796752.db2.gz OMNIRIGLYQFKBP-UHFFFAOYSA-N 0 3 221.344 3.648 20 0 BHADHN Cc1nc(CNCC2(C)CCCCC2)cs1 ZINC000229586927 387184794 /nfs/dbraw/zinc/18/47/94/387184794.db2.gz YQOVCTXZYPFQCG-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN Cc1csc(CNCC2(C)CCCCC2)n1 ZINC000229587290 387183922 /nfs/dbraw/zinc/18/39/22/387183922.db2.gz AMIZRRRLSOIOKU-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN Cc1ccc(CNCC2(C)CCCCC2)o1 ZINC000229587432 388796576 /nfs/dbraw/zinc/79/65/76/388796576.db2.gz SEOBXTQDMPOVJU-UHFFFAOYSA-N 0 3 221.344 3.648 20 0 BHADHN CCc1ccc(CN[C@@H]2C=CCCC2)s1 ZINC000229588747 388860391 /nfs/dbraw/zinc/86/03/91/388860391.db2.gz OIZAVFDXXZZUCW-LLVKDONJSA-N 0 3 221.369 3.509 20 0 BHADHN CCc1ccc(CN[C@H]2C=CCCC2)s1 ZINC000229588760 324967683 /nfs/dbraw/zinc/96/76/83/324967683.db2.gz OIZAVFDXXZZUCW-NSHDSACASA-N 0 3 221.369 3.509 20 0 BHADHN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nc(C)cs1 ZINC000229637321 372175609 /nfs/dbraw/zinc/17/56/09/372175609.db2.gz PGVAZJJBLXOVEL-TUAOUCFPSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1nc(C)cs1 ZINC000229637337 372175816 /nfs/dbraw/zinc/17/58/16/372175816.db2.gz PGVAZJJBLXOVEL-QJPTWQEYSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccncc2C)cc1 ZINC000229657518 387191806 /nfs/dbraw/zinc/19/18/06/387191806.db2.gz ZIJNWYURSLTHHE-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccncc2C)cc1 ZINC000229657525 387191534 /nfs/dbraw/zinc/19/15/34/387191534.db2.gz ZIJNWYURSLTHHE-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN CC(C)(NCc1cccc(Cl)c1F)C1CC1 ZINC000230155731 325006645 /nfs/dbraw/zinc/00/66/45/325006645.db2.gz NNVLXXOCNGAAPQ-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN CCCC1(CNCc2cccc(F)c2F)CC1 ZINC000230157409 325008341 /nfs/dbraw/zinc/00/83/41/325008341.db2.gz HPPCGLCXQBTFKO-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN CCCC1(CNCc2ccc(F)cc2F)CC1 ZINC000230157784 325007921 /nfs/dbraw/zinc/00/79/21/325007921.db2.gz PQUVSRXDALPETH-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN CCCC1(CNCc2cc(F)ccc2F)CC1 ZINC000230157886 388817060 /nfs/dbraw/zinc/81/70/60/388817060.db2.gz KMQAYJNVDVLFDC-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN CCCC1(CNCc2c(F)cccc2F)CC1 ZINC000230157949 323176894 /nfs/dbraw/zinc/17/68/94/323176894.db2.gz MHMKLFMKXMPEQH-UHFFFAOYSA-N 0 3 239.309 3.635 20 0 BHADHN CC1(CNCc2c(Cl)oc3ccccc32)CC1 ZINC000230347613 387263208 /nfs/dbraw/zinc/26/32/08/387263208.db2.gz BASACVMRFUHWJI-UHFFFAOYSA-N 0 3 249.741 3.976 20 0 BHADHN C[C@@H](NC1CC=CC1)c1csc(Cl)c1 ZINC000230410482 344648171 /nfs/dbraw/zinc/64/81/71/344648171.db2.gz YTVSULAHTWLZSH-MRVPVSSYSA-N 0 3 227.760 3.771 20 0 BHADHN C[C@H](NC1CC=CC1)c1csc(Cl)c1 ZINC000230410486 344648181 /nfs/dbraw/zinc/64/81/81/344648181.db2.gz YTVSULAHTWLZSH-QMMMGPOBSA-N 0 3 227.760 3.771 20 0 BHADHN C[C@@H](NC1CCC1)c1csc(Cl)c1 ZINC000230410661 353493700 /nfs/dbraw/zinc/49/37/00/353493700.db2.gz YRXIDSQPNCSNMY-SSDOTTSWSA-N 0 3 215.749 3.605 20 0 BHADHN C[C@H](NC1CCC1)c1csc(Cl)c1 ZINC000230410663 353493927 /nfs/dbraw/zinc/49/39/27/353493927.db2.gz YRXIDSQPNCSNMY-ZETCQYMHSA-N 0 3 215.749 3.605 20 0 BHADHN C[C@@H](N[C@@H]1CCSC1)c1csc(Cl)c1 ZINC000230410806 344648025 /nfs/dbraw/zinc/64/80/25/344648025.db2.gz PEGUBNLMUHOESC-VXNVDRBHSA-N 0 3 247.816 3.558 20 0 BHADHN C[C@H](N[C@@H]1CCSC1)c1csc(Cl)c1 ZINC000230410810 353493825 /nfs/dbraw/zinc/49/38/25/353493825.db2.gz PEGUBNLMUHOESC-IONNQARKSA-N 0 3 247.816 3.558 20 0 BHADHN C[C@@H](N[C@H]1CCSC1)c1csc(Cl)c1 ZINC000230410813 135533994 /nfs/dbraw/zinc/53/39/94/135533994.db2.gz PEGUBNLMUHOESC-APPZFPTMSA-N 0 3 247.816 3.558 20 0 BHADHN C[C@H](N[C@H]1CCSC1)c1csc(Cl)c1 ZINC000230410817 344648247 /nfs/dbraw/zinc/64/82/47/344648247.db2.gz PEGUBNLMUHOESC-CBAPKCEASA-N 0 3 247.816 3.558 20 0 BHADHN C[C@@H](NC1CC(C)C1)c1csc(Cl)c1 ZINC000230410835 388826164 /nfs/dbraw/zinc/82/61/64/388826164.db2.gz WSRAUEUMWLQNQT-CCNFQMFXSA-N 0 3 229.776 3.851 20 0 BHADHN C[C@H](NC1CC(C)C1)c1csc(Cl)c1 ZINC000230410839 388825629 /nfs/dbraw/zinc/82/56/29/388825629.db2.gz WSRAUEUMWLQNQT-ZCUBBSJVSA-N 0 3 229.776 3.851 20 0 BHADHN Cc1nc([C@H](C)NC[C@@H]2CC[C@@H](C)C2)cs1 ZINC000230411755 357541022 /nfs/dbraw/zinc/54/10/22/357541022.db2.gz VZSISJJIKXDFKK-JFGNBEQYSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@H](C)NC[C@H]2CC[C@@H](C)C2)cs1 ZINC000230411761 357541556 /nfs/dbraw/zinc/54/15/56/357541556.db2.gz VZSISJJIKXDFKK-SCVCMEIPSA-N 0 3 238.400 3.538 20 0 BHADHN C[C@@H](N[C@@H]1CC1(C)C)c1csc(Cl)c1 ZINC000230411902 357541234 /nfs/dbraw/zinc/54/12/34/357541234.db2.gz AUPWWYOTUXITTK-VXNVDRBHSA-N 0 3 229.776 3.851 20 0 BHADHN C[C@H](N[C@@H]1CC1(C)C)c1csc(Cl)c1 ZINC000230411905 357541105 /nfs/dbraw/zinc/54/11/05/357541105.db2.gz AUPWWYOTUXITTK-IONNQARKSA-N 0 3 229.776 3.851 20 0 BHADHN C[C@@H](N[C@H]1CC1(C)C)c1csc(Cl)c1 ZINC000230411909 357541302 /nfs/dbraw/zinc/54/13/02/357541302.db2.gz AUPWWYOTUXITTK-APPZFPTMSA-N 0 3 229.776 3.851 20 0 BHADHN C[C@H](N[C@H]1CC1(C)C)c1csc(Cl)c1 ZINC000230411913 357541546 /nfs/dbraw/zinc/54/15/46/357541546.db2.gz AUPWWYOTUXITTK-CBAPKCEASA-N 0 3 229.776 3.851 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cc(C)sc1C ZINC000230614987 388827149 /nfs/dbraw/zinc/82/71/49/388827149.db2.gz OPBGBOXSSURVMR-NSHDSACASA-N 0 3 223.385 3.982 20 0 BHADHN CC(C)=CCN[C@H](C)c1cc(C)sc1C ZINC000230615001 259323146 /nfs/dbraw/zinc/32/31/46/259323146.db2.gz OPBGBOXSSURVMR-LLVKDONJSA-N 0 3 223.385 3.982 20 0 BHADHN C/C=C/CN[C@@H](C)c1cc(C)sc1C ZINC000230615066 491130352 /nfs/dbraw/zinc/13/03/52/491130352.db2.gz UFRRVOANFFGNPD-PORFMDCZSA-N 0 3 209.358 3.592 20 0 BHADHN C/C=C/CN[C@H](C)c1cc(C)sc1C ZINC000230615076 491130406 /nfs/dbraw/zinc/13/04/06/491130406.db2.gz UFRRVOANFFGNPD-BRAIEQGRSA-N 0 3 209.358 3.592 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(Cl)s1 ZINC000230631308 491130509 /nfs/dbraw/zinc/13/05/09/491130509.db2.gz MCSFRAOVNPOHOL-RTMURIBGSA-N 0 3 215.749 3.628 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(Cl)s1 ZINC000230631316 491130497 /nfs/dbraw/zinc/13/04/97/491130497.db2.gz MCSFRAOVNPOHOL-MPJRPATESA-N 0 3 215.749 3.628 20 0 BHADHN Cc1nc([C@H](C)NC[C@@H]2CCC[C@@H]2C)cs1 ZINC000230664017 357546895 /nfs/dbraw/zinc/54/68/95/357546895.db2.gz UNZXIJGDLJMHDY-NHCYSSNCSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@H](C)NC[C@H]2CCC[C@@H]2C)cs1 ZINC000230664023 357546803 /nfs/dbraw/zinc/54/68/03/357546803.db2.gz UNZXIJGDLJMHDY-JBLDHEPKSA-N 0 3 238.400 3.538 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC(C)(C)C2CC2)o1 ZINC000230675097 350605573 /nfs/dbraw/zinc/60/55/73/350605573.db2.gz HCEJWDIUGPTMNM-MFKMUULPSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNC(C)(C)C2CC2)o1 ZINC000230675102 323399739 /nfs/dbraw/zinc/39/97/39/323399739.db2.gz HCEJWDIUGPTMNM-GWCFXTLKSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC(C)(C)C2CC2)o1 ZINC000230675107 323399761 /nfs/dbraw/zinc/39/97/61/323399761.db2.gz HCEJWDIUGPTMNM-ZWNOBZJWSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNC(C)(C)C2CC2)o1 ZINC000230675111 323399797 /nfs/dbraw/zinc/39/97/97/323399797.db2.gz HCEJWDIUGPTMNM-GXFFZTMASA-N 0 3 233.355 3.681 20 0 BHADHN Cc1ccc(F)c(CNCCCC(F)(F)F)c1 ZINC000231672495 385811829 /nfs/dbraw/zinc/81/18/29/385811829.db2.gz WDYAHSYGHWDTEM-UHFFFAOYSA-N 0 3 249.251 3.566 20 0 BHADHN CCCCCCNC(C)(C)c1nccs1 ZINC000231730802 343694251 /nfs/dbraw/zinc/69/42/51/343694251.db2.gz NUMSHNLLFOLNCJ-UHFFFAOYSA-N 0 3 226.389 3.548 20 0 BHADHN Cc1ccc(F)cc1CN[C@@H](C)CC(F)(F)F ZINC000231750395 385817782 /nfs/dbraw/zinc/81/77/82/385817782.db2.gz ZJQSJCFPPJMZKS-VIFPVBQESA-N 0 3 249.251 3.565 20 0 BHADHN Cc1ccc(F)cc1CN[C@H](C)CC(F)(F)F ZINC000231750399 388841437 /nfs/dbraw/zinc/84/14/37/388841437.db2.gz ZJQSJCFPPJMZKS-SECBINFHSA-N 0 3 249.251 3.565 20 0 BHADHN Cc1ccc(C)c(CN[C@@H](C)CC(F)(F)F)c1 ZINC000231750691 388840812 /nfs/dbraw/zinc/84/08/12/388840812.db2.gz SUODSDXVRPPEFR-NSHDSACASA-N 0 3 245.288 3.734 20 0 BHADHN Cc1ccc(C)c(CN[C@H](C)CC(F)(F)F)c1 ZINC000231750695 388841595 /nfs/dbraw/zinc/84/15/95/388841595.db2.gz SUODSDXVRPPEFR-LLVKDONJSA-N 0 3 245.288 3.734 20 0 BHADHN Cc1ccc(CN[C@@H](C)CC(F)(F)F)cc1C ZINC000231750879 388840669 /nfs/dbraw/zinc/84/06/69/388840669.db2.gz KSBYWPJGQPKJJK-NSHDSACASA-N 0 3 245.288 3.734 20 0 BHADHN Cc1ccc(CN[C@H](C)CC(F)(F)F)cc1C ZINC000231750883 259424814 /nfs/dbraw/zinc/42/48/14/259424814.db2.gz KSBYWPJGQPKJJK-LLVKDONJSA-N 0 3 245.288 3.734 20 0 BHADHN Cc1cc(C)cc(CN[C@@H](C)CC(F)(F)F)c1 ZINC000231750989 388840926 /nfs/dbraw/zinc/84/09/26/388840926.db2.gz VBKZVWCEAVDXAM-NSHDSACASA-N 0 3 245.288 3.734 20 0 BHADHN Cc1cc(C)cc(CN[C@H](C)CC(F)(F)F)c1 ZINC000231750992 388841911 /nfs/dbraw/zinc/84/19/11/388841911.db2.gz VBKZVWCEAVDXAM-LLVKDONJSA-N 0 3 245.288 3.734 20 0 BHADHN Cc1cccc(CN[C@@H](C)CC(F)(F)F)c1C ZINC000231751094 388840825 /nfs/dbraw/zinc/84/08/25/388840825.db2.gz ZRMQBGJNFOPTDR-JTQLQIEISA-N 0 3 245.288 3.734 20 0 BHADHN Cc1cccc(CN[C@H](C)CC(F)(F)F)c1C ZINC000231751096 322938540 /nfs/dbraw/zinc/93/85/40/322938540.db2.gz ZRMQBGJNFOPTDR-SNVBAGLBSA-N 0 3 245.288 3.734 20 0 BHADHN Cc1cnc(CNC(CC(C)C)CC(C)C)o1 ZINC000231788318 538107312 /nfs/dbraw/zinc/10/73/12/538107312.db2.gz IJISXLYAONXRQM-UHFFFAOYSA-N 0 3 238.375 3.533 20 0 BHADHN Cc1cnc(CNCCC2CCCCC2)s1 ZINC000231788570 357629986 /nfs/dbraw/zinc/62/99/86/357629986.db2.gz PWNILCRKYMFAGC-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccsc1 ZINC000231791139 363353944 /nfs/dbraw/zinc/35/39/44/363353944.db2.gz PQBVKRSBOUHMOT-YUMQZZPRSA-N 0 3 237.290 3.740 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccsc1 ZINC000231791143 134545193 /nfs/dbraw/zinc/54/51/93/134545193.db2.gz PQBVKRSBOUHMOT-SFYZADRCSA-N 0 3 237.290 3.740 20 0 BHADHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccsc1 ZINC000231791146 363354118 /nfs/dbraw/zinc/35/41/18/363354118.db2.gz PQBVKRSBOUHMOT-JGVFFNPUSA-N 0 3 237.290 3.740 20 0 BHADHN C[C@H](CC(F)(F)F)N[C@H](C)c1ccsc1 ZINC000231791148 363353664 /nfs/dbraw/zinc/35/36/64/363353664.db2.gz PQBVKRSBOUHMOT-HTQZYQBOSA-N 0 3 237.290 3.740 20 0 BHADHN Cc1cccc([C@@H](C)N[C@@H](C)CC(F)(F)F)c1 ZINC000231791269 388843012 /nfs/dbraw/zinc/84/30/12/388843012.db2.gz AZARMUKXIGKCND-WDEREUQCSA-N 0 3 245.288 3.987 20 0 BHADHN Cc1cccc([C@H](C)N[C@@H](C)CC(F)(F)F)c1 ZINC000231791272 388842312 /nfs/dbraw/zinc/84/23/12/388842312.db2.gz AZARMUKXIGKCND-QWRGUYRKSA-N 0 3 245.288 3.987 20 0 BHADHN Cc1cccc([C@@H](C)N[C@H](C)CC(F)(F)F)c1 ZINC000231791276 388843172 /nfs/dbraw/zinc/84/31/72/388843172.db2.gz AZARMUKXIGKCND-GHMZBOCLSA-N 0 3 245.288 3.987 20 0 BHADHN Cc1cccc([C@H](C)N[C@H](C)CC(F)(F)F)c1 ZINC000231791279 388842374 /nfs/dbraw/zinc/84/23/74/388842374.db2.gz AZARMUKXIGKCND-MNOVXSKESA-N 0 3 245.288 3.987 20 0 BHADHN c1ccc(CNCc2ccc3cnccc3c2)cc1 ZINC000232451831 538109793 /nfs/dbraw/zinc/10/97/93/538109793.db2.gz BFDGDPMNZRTXOF-UHFFFAOYSA-N 0 3 248.329 3.525 20 0 BHADHN CC(C)(C)NCc1cc(Cl)sc1Cl ZINC000232498455 398192147 /nfs/dbraw/zinc/19/21/47/398192147.db2.gz UKWKWUXIFKEQMR-UHFFFAOYSA-N 0 3 238.183 3.943 20 0 BHADHN Cc1cc([C@H](C)NC2CC(C(C)C)C2)c(C)o1 ZINC000232538631 388852751 /nfs/dbraw/zinc/85/27/51/388852751.db2.gz CKZBOUAFKMHVKJ-XGNXJENSSA-N 0 3 235.371 3.982 20 0 BHADHN Cc1ccc([C@H](C)NC2CC(C(C)C)C2)o1 ZINC000232538681 388853029 /nfs/dbraw/zinc/85/30/29/388853029.db2.gz DIDQBOYBLWONAV-HIFPTAJRSA-N 0 3 221.344 3.673 20 0 BHADHN Cc1csc([C@H](C)NC2CC(C(C)C)C2)n1 ZINC000232538824 388852417 /nfs/dbraw/zinc/85/24/17/388852417.db2.gz IFFXNMJKPSLYEB-UNXYVOJBSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1cnc([C@H](C)NC2CC(C(C)C)C2)s1 ZINC000232538833 388853199 /nfs/dbraw/zinc/85/31/99/388853199.db2.gz LMTQARWBLAWIGV-UNXYVOJBSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1cc([C@@H](C)NC2CC(C(C)C)C2)c(C)o1 ZINC000232539508 388852905 /nfs/dbraw/zinc/85/29/05/388852905.db2.gz CKZBOUAFKMHVKJ-LMWSTFAQSA-N 0 3 235.371 3.982 20 0 BHADHN Cc1ccc([C@@H](C)NC2CC(C(C)C)C2)o1 ZINC000232539547 388853434 /nfs/dbraw/zinc/85/34/34/388853434.db2.gz DIDQBOYBLWONAV-PNESKVBLSA-N 0 3 221.344 3.673 20 0 BHADHN Cc1csc([C@@H](C)NC2CC(C(C)C)C2)n1 ZINC000232539654 259331407 /nfs/dbraw/zinc/33/14/07/259331407.db2.gz IFFXNMJKPSLYEB-VOMCLLRMSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1cnc([C@@H](C)NC2CC(C(C)C)C2)s1 ZINC000232539660 259331619 /nfs/dbraw/zinc/33/16/19/259331619.db2.gz LMTQARWBLAWIGV-VOMCLLRMSA-N 0 3 238.400 3.537 20 0 BHADHN CC(C)C1CC(Nc2cccc(CN(C)C)c2)C1 ZINC000232541454 388852573 /nfs/dbraw/zinc/85/25/73/388852573.db2.gz WJWDRCMYVPRFOE-UHFFFAOYSA-N 0 3 246.398 3.595 20 0 BHADHN CC(C)C1CC(N[C@@H]2CCCc3occc32)C1 ZINC000232551369 357671201 /nfs/dbraw/zinc/67/12/01/357671201.db2.gz PTHQOMWIJACMNK-ORHYLEIMSA-N 0 3 233.355 3.681 20 0 BHADHN CC(C)C1CC(N[C@H]2CCCc3occc32)C1 ZINC000232551488 357671113 /nfs/dbraw/zinc/67/11/13/357671113.db2.gz PTHQOMWIJACMNK-YIZWMMSDSA-N 0 3 233.355 3.681 20 0 BHADHN CC(C)=CCNCc1c(C)oc2ccccc21 ZINC000232612860 388854710 /nfs/dbraw/zinc/85/47/10/388854710.db2.gz AGTPPSWNUQLEBO-UHFFFAOYSA-N 0 3 229.323 3.797 20 0 BHADHN CC(C)=CCNCc1cc(F)cc(Cl)c1 ZINC000232614387 388854409 /nfs/dbraw/zinc/85/44/09/388854409.db2.gz UUBBRFNRYCMZTQ-UHFFFAOYSA-N 0 3 227.710 3.535 20 0 BHADHN CC(C)=CCNCc1ccc(C)c(Cl)c1 ZINC000232615109 388854936 /nfs/dbraw/zinc/85/49/36/388854936.db2.gz LJSCBACWCZCLJD-UHFFFAOYSA-N 0 3 223.747 3.704 20 0 BHADHN CC(C)=CCNCc1ccc(Cl)c(F)c1 ZINC000232615572 388854431 /nfs/dbraw/zinc/85/44/31/388854431.db2.gz CVCVPLKPUGYMQL-UHFFFAOYSA-N 0 3 227.710 3.535 20 0 BHADHN CC(C)=CCNCc1ccc(Cl)cc1C ZINC000232615634 388853869 /nfs/dbraw/zinc/85/38/69/388853869.db2.gz XMZLHESAADVZIZ-UHFFFAOYSA-N 0 3 223.747 3.704 20 0 BHADHN CC(C)=CCNCc1ccc(F)c(Cl)c1 ZINC000232615875 388854853 /nfs/dbraw/zinc/85/48/53/388854853.db2.gz SUGFRBIYGVOPMH-UHFFFAOYSA-N 0 3 227.710 3.535 20 0 BHADHN CC(C)=CCNCc1ccccc1C(F)(F)F ZINC000232617680 388854315 /nfs/dbraw/zinc/85/43/15/388854315.db2.gz GKHRBPFDBYGQQD-UHFFFAOYSA-N 0 3 243.272 3.761 20 0 BHADHN CC(C)=CCNCc1ccccc1C1CC1 ZINC000232617731 537802846 /nfs/dbraw/zinc/80/28/46/537802846.db2.gz RTJOXXYFWNAALR-UHFFFAOYSA-N 0 3 215.340 3.620 20 0 BHADHN CC(C)=CCNCc1csc2ccccc12 ZINC000232619410 388854089 /nfs/dbraw/zinc/85/40/89/388854089.db2.gz CFHKDVNDXXNKHL-UHFFFAOYSA-N 0 3 231.364 3.957 20 0 BHADHN CC(C)=CCNCc1ccc(C2CC2)cc1 ZINC000232620943 388854335 /nfs/dbraw/zinc/85/43/35/388854335.db2.gz PDXQOWYUJGDNSN-UHFFFAOYSA-N 0 3 215.340 3.620 20 0 BHADHN CC(C)=CCNCc1ccc2ccccc2c1 ZINC000232621246 388854110 /nfs/dbraw/zinc/85/41/10/388854110.db2.gz VOTDDZSKAMMYLZ-UHFFFAOYSA-N 0 3 225.335 3.896 20 0 BHADHN CC(C)=CCN[C@@H]1CCc2cc(Cl)ccc21 ZINC000232628023 388854292 /nfs/dbraw/zinc/85/42/92/388854292.db2.gz STNSEWPWOFKEHL-CQSZACIVSA-N 0 3 235.758 3.883 20 0 BHADHN CC(C)=CCN[C@@H]1CCc2ccc(C)cc21 ZINC000232628138 388854367 /nfs/dbraw/zinc/85/43/67/388854367.db2.gz KSOQRDUBLXSXQK-OAHLLOKOSA-N 0 3 215.340 3.538 20 0 BHADHN CC(C)=CCN[C@H]1CCc2cc(Cl)ccc21 ZINC000232631794 388854791 /nfs/dbraw/zinc/85/47/91/388854791.db2.gz STNSEWPWOFKEHL-AWEZNQCLSA-N 0 3 235.758 3.883 20 0 BHADHN CC(C)=CCN[C@H]1CCc2ccc(C)cc21 ZINC000232631878 388853878 /nfs/dbraw/zinc/85/38/78/388853878.db2.gz KSOQRDUBLXSXQK-HNNXBMFYSA-N 0 3 215.340 3.538 20 0 BHADHN CC(C)=CCNc1ccnc2ccccc21 ZINC000232644334 388854197 /nfs/dbraw/zinc/85/41/97/388854197.db2.gz MKCQAZLNZBUFKN-UHFFFAOYSA-N 0 3 212.296 3.613 20 0 BHADHN CC(C)C(C)(C)CNCc1ccncc1Cl ZINC000232726235 323102012 /nfs/dbraw/zinc/10/20/12/323102012.db2.gz AIPFSHZOKCRPMP-UHFFFAOYSA-N 0 3 240.778 3.507 20 0 BHADHN CCC(=O)CCCN(C)[C@@H](C)c1cccs1 ZINC000232843145 168197745 /nfs/dbraw/zinc/19/77/45/168197745.db2.gz LRSZMQZBWRPGLO-NSHDSACASA-N 0 3 239.384 3.500 20 0 BHADHN CCC(=O)CCCN(C)[C@H](C)c1cccs1 ZINC000232844091 168198172 /nfs/dbraw/zinc/19/81/72/168198172.db2.gz LRSZMQZBWRPGLO-LLVKDONJSA-N 0 3 239.384 3.500 20 0 BHADHN CCC(C)(C)CNCc1cc(F)c(F)cc1F ZINC000232906112 388859644 /nfs/dbraw/zinc/85/96/44/388859644.db2.gz BDMGUKGJKYDCAY-UHFFFAOYSA-N 0 3 245.288 3.630 20 0 BHADHN CCC(C)(C)CN[C@@H](C)c1csc(C)n1 ZINC000232974738 535354086 /nfs/dbraw/zinc/35/40/86/535354086.db2.gz GCGIXZUERHPOEG-VIFPVBQESA-N 0 3 226.389 3.538 20 0 BHADHN CCC(C)(C)CN[C@@H](C)c1nc(C)sc1C ZINC000232974922 537815227 /nfs/dbraw/zinc/81/52/27/537815227.db2.gz FEJDXQKLSDFKCW-VIFPVBQESA-N 0 3 240.416 3.847 20 0 BHADHN CCC(C)(C)CN[C@H](C)c1csc(C)n1 ZINC000232995560 363390608 /nfs/dbraw/zinc/39/06/08/363390608.db2.gz GCGIXZUERHPOEG-SECBINFHSA-N 0 3 226.389 3.538 20 0 BHADHN CCC(C)(C)CN[C@H](C)c1nc(C)sc1C ZINC000232995661 541376202 /nfs/dbraw/zinc/37/62/02/541376202.db2.gz FEJDXQKLSDFKCW-SECBINFHSA-N 0 3 240.416 3.847 20 0 BHADHN CCCN[C@@H](CCC)c1ncccc1Cl ZINC000233122081 642650804 /nfs/dbraw/zinc/65/08/04/642650804.db2.gz BYGOULVSJORQKN-NSHDSACASA-N 0 3 226.751 3.576 20 0 BHADHN CCCN[C@H](CCC)c1ncccc1Cl ZINC000233165914 642650661 /nfs/dbraw/zinc/65/06/61/642650661.db2.gz BYGOULVSJORQKN-LLVKDONJSA-N 0 3 226.751 3.576 20 0 BHADHN CCCOc1ccc(CNCC=C(C)C)cc1 ZINC000233241623 342900902 /nfs/dbraw/zinc/90/09/02/342900902.db2.gz CORGDKGJNVVUQU-UHFFFAOYSA-N 0 3 233.355 3.531 20 0 BHADHN CCCOc1cccc(CNCC=C(C)C)c1 ZINC000233244253 259334388 /nfs/dbraw/zinc/33/43/88/259334388.db2.gz VHWKZSFLXWABHU-UHFFFAOYSA-N 0 3 233.355 3.531 20 0 BHADHN CC[C@@H](NC1CC(C(C)C)C1)c1nccs1 ZINC000233893088 259664449 /nfs/dbraw/zinc/66/44/49/259664449.db2.gz NNMMPMDCTWAXJT-HTAVTVPLSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@@H](NCC(C)(C)CC)c1ccc(F)cn1 ZINC000233898188 487632684 /nfs/dbraw/zinc/63/26/84/487632684.db2.gz SCEDQVYLXLWLEX-GFCCVEGCSA-N 0 3 238.350 3.698 20 0 BHADHN CC[C@@H](NCC=C(C)C)c1ccc(F)cc1 ZINC000233904661 357761714 /nfs/dbraw/zinc/76/17/14/357761714.db2.gz GJTJALWQWBBIDJ-CQSZACIVSA-N 0 3 221.319 3.833 20 0 BHADHN CC[C@@H](NCC=C(C)C)c1cccc(F)c1 ZINC000233904687 357762188 /nfs/dbraw/zinc/76/21/88/357762188.db2.gz VZHYGTSTWLLUCL-CQSZACIVSA-N 0 3 221.319 3.833 20 0 BHADHN CC[C@@H](NCC=C(C)C)c1ccccc1F ZINC000233904701 357761796 /nfs/dbraw/zinc/76/17/96/357761796.db2.gz UEARYEBMWSEVEY-CQSZACIVSA-N 0 3 221.319 3.833 20 0 BHADHN CC[C@H](NCC(C)(C)CC)c1ccc(F)cn1 ZINC000234026115 388351578 /nfs/dbraw/zinc/35/15/78/388351578.db2.gz SCEDQVYLXLWLEX-LBPRGKRZSA-N 0 3 238.350 3.698 20 0 BHADHN CC[C@H](NCC=C(C)C)c1ccc(F)cc1 ZINC000234037099 357768186 /nfs/dbraw/zinc/76/81/86/357768186.db2.gz GJTJALWQWBBIDJ-AWEZNQCLSA-N 0 3 221.319 3.833 20 0 BHADHN CC[C@H](NCC=C(C)C)c1cccc(F)c1 ZINC000234037148 357768260 /nfs/dbraw/zinc/76/82/60/357768260.db2.gz VZHYGTSTWLLUCL-AWEZNQCLSA-N 0 3 221.319 3.833 20 0 BHADHN CC[C@H](NCC=C(C)C)c1ccccc1F ZINC000234037167 357768172 /nfs/dbraw/zinc/76/81/72/357768172.db2.gz UEARYEBMWSEVEY-AWEZNQCLSA-N 0 3 221.319 3.833 20 0 BHADHN CC[C@H](NC1CC(C(C)C)C1)c1nccs1 ZINC000234066392 388353350 /nfs/dbraw/zinc/35/33/50/388353350.db2.gz NNMMPMDCTWAXJT-MCIGGMRASA-N 0 3 238.400 3.618 20 0 BHADHN CCc1ccc([C@@H](C)NCC=C(C)C)s1 ZINC000234138388 388353335 /nfs/dbraw/zinc/35/33/35/388353335.db2.gz GUIUZZUETIZZPM-LLVKDONJSA-N 0 3 223.385 3.927 20 0 BHADHN CCc1ccc([C@H](C)NCC=C(C)C)s1 ZINC000234151668 388353282 /nfs/dbraw/zinc/35/32/82/388353282.db2.gz GUIUZZUETIZZPM-NSHDSACASA-N 0 3 223.385 3.927 20 0 BHADHN COc1cc(C)ccc1[C@H](C)NCC=C(C)C ZINC000234836606 342957774 /nfs/dbraw/zinc/95/77/74/342957774.db2.gz BABWVPWQGPWRQU-ZDUSSCGKSA-N 0 3 233.355 3.620 20 0 BHADHN COc1ccccc1[C@@H](C)NC1CC(C(C)C)C1 ZINC000234881947 388361570 /nfs/dbraw/zinc/36/15/70/388361570.db2.gz LJQUPSVODJDAFA-IYXRBSQSSA-N 0 3 247.382 3.780 20 0 BHADHN COc1ccccc1[C@H](C)NC1CC(C(C)C)C1 ZINC000234897367 388363247 /nfs/dbraw/zinc/36/32/47/388363247.db2.gz LJQUPSVODJDAFA-HSBZDZAISA-N 0 3 247.382 3.780 20 0 BHADHN COc1cc(C)ccc1[C@@H](C)NCC=C(C)C ZINC000234962285 342968099 /nfs/dbraw/zinc/96/80/99/342968099.db2.gz BABWVPWQGPWRQU-CYBMUJFWSA-N 0 3 233.355 3.620 20 0 BHADHN COc1ccc2c(c1)[C@H](NCC=C(C)C)CCC2 ZINC000234968666 357837464 /nfs/dbraw/zinc/83/74/64/357837464.db2.gz ULYJNRDHXIEMEB-MRXNPFEDSA-N 0 3 245.366 3.628 20 0 BHADHN COc1ccc2c(c1)[C@@H](NCC=C(C)C)CCC2 ZINC000234970077 357837509 /nfs/dbraw/zinc/83/75/09/357837509.db2.gz ULYJNRDHXIEMEB-INIZCTEOSA-N 0 3 245.366 3.628 20 0 BHADHN COc1ccc2c(c1)CCC[C@@H]2NCC=C(C)C ZINC000234990005 357842716 /nfs/dbraw/zinc/84/27/16/357842716.db2.gz TWVPEHDMWHJMRJ-INIZCTEOSA-N 0 3 245.366 3.628 20 0 BHADHN COc1ccc2c(c1)CCC[C@H]2NCC=C(C)C ZINC000234993092 357842792 /nfs/dbraw/zinc/84/27/92/357842792.db2.gz TWVPEHDMWHJMRJ-MRXNPFEDSA-N 0 3 245.366 3.628 20 0 BHADHN CC(C)=CCN[C@H](C)c1cccc(C)c1 ZINC000235214350 259330678 /nfs/dbraw/zinc/33/06/78/259330678.db2.gz PNMYODZYWNTGEO-CYBMUJFWSA-N 0 3 203.329 3.612 20 0 BHADHN Cc1cnc(CN[C@H]2CCC[C@@H](C)CC2)s1 ZINC000235317904 357865159 /nfs/dbraw/zinc/86/51/59/357865159.db2.gz UKQWPKAUAUTBJM-PWSUYJOCSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cnc(CN[C@@H]2CCC[C@@H](C)CC2)s1 ZINC000235325508 357865899 /nfs/dbraw/zinc/86/58/99/357865899.db2.gz UKQWPKAUAUTBJM-ZYHUDNBSSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cnc(CN[C@@H]2CCC[C@H](C)CC2)s1 ZINC000235613626 357925426 /nfs/dbraw/zinc/92/54/26/357925426.db2.gz UKQWPKAUAUTBJM-CMPLNLGQSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cnc(CN[C@H]2CCC[C@H](C)CC2)s1 ZINC000235624949 357925712 /nfs/dbraw/zinc/92/57/12/357925712.db2.gz UKQWPKAUAUTBJM-JQWIXIFHSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1ccc(CNC(C)(C)C)c(Cl)c1 ZINC000235768799 343058861 /nfs/dbraw/zinc/05/88/61/343058861.db2.gz XDLUKKZYWYVMPA-UHFFFAOYSA-N 0 3 211.736 3.537 20 0 BHADHN Cc1ccc(CNCCc2ccco2)c(Cl)c1 ZINC000235871758 343064739 /nfs/dbraw/zinc/06/47/39/343064739.db2.gz FPQZNZTYCQENAF-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN CC(C)c1ccc(CCNCc2ccco2)cc1 ZINC000236644514 388381210 /nfs/dbraw/zinc/38/12/10/388381210.db2.gz RCEMAMMCHANYDZ-UHFFFAOYSA-N 0 3 243.350 3.735 20 0 BHADHN c1cc(-c2ccccc2)oc1CNCCC1CC1 ZINC000236695820 346292672 /nfs/dbraw/zinc/29/26/72/346292672.db2.gz KKQKKSFNFLJGDR-UHFFFAOYSA-N 0 3 241.334 3.836 20 0 BHADHN c1coc(CNCCCCCc2ccccc2)c1 ZINC000236701119 388382223 /nfs/dbraw/zinc/38/22/23/388382223.db2.gz CWFSSNHUOLDNKJ-UHFFFAOYSA-N 0 3 243.350 3.782 20 0 BHADHN c1coc(CNCCCSc2ccccc2)c1 ZINC000236717211 134834622 /nfs/dbraw/zinc/83/46/22/134834622.db2.gz CHYYRPMEWNDIJB-UHFFFAOYSA-N 0 3 247.363 3.552 20 0 BHADHN CC(C)=CCNC1(c2ccccc2)CCC1 ZINC000236730765 388382233 /nfs/dbraw/zinc/38/22/33/388382233.db2.gz HRPUDZAGQSXHBD-UHFFFAOYSA-N 0 3 215.340 3.622 20 0 BHADHN CCC[C@@H](Cc1ccccc1)NCc1ccco1 ZINC000236888235 388386213 /nfs/dbraw/zinc/38/62/13/388386213.db2.gz DYNPDHCERIJCCK-HNNXBMFYSA-N 0 3 243.350 3.781 20 0 BHADHN CC[C@](C)(NCCC(C)C)c1nc(C)cs1 ZINC000236920778 388385093 /nfs/dbraw/zinc/38/50/93/388385093.db2.gz GAYUTIQRPVMABZ-ZDUSSCGKSA-N 0 3 240.416 3.712 20 0 BHADHN CC[C@H](NCc1cccnc1C)c1cccs1 ZINC000236951957 351060576 /nfs/dbraw/zinc/06/05/76/351060576.db2.gz IWNXEVFMTOHAQI-ZDUSSCGKSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](CNCc1ccc(C)o1)c1ccccc1 ZINC000236987669 351250328 /nfs/dbraw/zinc/25/03/28/351250328.db2.gz OTXBTHDVQBPOAY-AWEZNQCLSA-N 0 3 243.350 3.871 20 0 BHADHN CC[C@@H](Cc1ccc(C)cc1)NCc1ccco1 ZINC000237016934 325340564 /nfs/dbraw/zinc/34/05/64/325340564.db2.gz HLUOGABVUOTDGC-HNNXBMFYSA-N 0 3 243.350 3.699 20 0 BHADHN CC[C@@H](NCc1cccnc1C)c1cccs1 ZINC000237020305 351270534 /nfs/dbraw/zinc/27/05/34/351270534.db2.gz IWNXEVFMTOHAQI-CYBMUJFWSA-N 0 3 246.379 3.692 20 0 BHADHN CCC[C@H](Cc1ccccc1)NCc1ccco1 ZINC000237033429 388388507 /nfs/dbraw/zinc/38/85/07/388388507.db2.gz DYNPDHCERIJCCK-OAHLLOKOSA-N 0 3 243.350 3.781 20 0 BHADHN CC[C@@](C)(NCCC(C)C)c1nc(C)cs1 ZINC000237062431 388388712 /nfs/dbraw/zinc/38/87/12/388388712.db2.gz GAYUTIQRPVMABZ-CYBMUJFWSA-N 0 3 240.416 3.712 20 0 BHADHN Cc1ccc(CNC[C@H](C)c2ccc(C)cc2)o1 ZINC000237361804 388394172 /nfs/dbraw/zinc/39/41/72/388394172.db2.gz DLSAELGFYRRMLO-ZDUSSCGKSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1ccc(CNC[C@H](C)c2cccc(C)c2)o1 ZINC000237361845 325353350 /nfs/dbraw/zinc/35/33/50/325353350.db2.gz SXTMPSDCDONOCF-ZDUSSCGKSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1cc(C)cc(C[C@@H](C)NCc2ccco2)c1 ZINC000237482438 325357207 /nfs/dbraw/zinc/35/72/07/325357207.db2.gz NNGGEUVGZGYOQK-CQSZACIVSA-N 0 3 243.350 3.617 20 0 BHADHN Cc1ccc(C[C@@H](C)NCc2ccco2)c(C)c1 ZINC000237512676 388396039 /nfs/dbraw/zinc/39/60/39/388396039.db2.gz AIXHKWNRGSJXTB-CQSZACIVSA-N 0 3 243.350 3.617 20 0 BHADHN Cc1cc(C)cc(C[C@H](C)NCc2ccco2)c1 ZINC000237522997 325358487 /nfs/dbraw/zinc/35/84/87/325358487.db2.gz NNGGEUVGZGYOQK-AWEZNQCLSA-N 0 3 243.350 3.617 20 0 BHADHN Cc1ccc(CNC[C@@H](C)c2ccc(C)cc2)o1 ZINC000237537679 388395486 /nfs/dbraw/zinc/39/54/86/388395486.db2.gz DLSAELGFYRRMLO-CYBMUJFWSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1ccc(CNC[C@@H](C)c2cccc(C)c2)o1 ZINC000237537712 325359457 /nfs/dbraw/zinc/35/94/57/325359457.db2.gz SXTMPSDCDONOCF-CYBMUJFWSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1ccc(C[C@H](C)NCc2ccco2)c(C)c1 ZINC000237546398 388397411 /nfs/dbraw/zinc/39/74/11/388397411.db2.gz AIXHKWNRGSJXTB-AWEZNQCLSA-N 0 3 243.350 3.617 20 0 BHADHN Cc1ccc(C(C)(C)CNCc2ccco2)cc1 ZINC000237638689 388398586 /nfs/dbraw/zinc/39/85/86/388398586.db2.gz HNYAJYFVKPXOMA-UHFFFAOYSA-N 0 3 243.350 3.655 20 0 BHADHN Cc1ccccc1C(C)(C)CNCc1ccco1 ZINC000237686021 388398033 /nfs/dbraw/zinc/39/80/33/388398033.db2.gz MUMHDHIHYBQFCZ-UHFFFAOYSA-N 0 3 243.350 3.655 20 0 BHADHN Cc1ccc(-c2ccc(CNCC3CC3)o2)cc1 ZINC000237718229 388397934 /nfs/dbraw/zinc/39/79/34/388397934.db2.gz XKWPSTJMAIRLDT-UHFFFAOYSA-N 0 3 241.334 3.755 20 0 BHADHN Cc1cc(C)c(CCNCc2ccco2)c(C)c1 ZINC000237811828 259685324 /nfs/dbraw/zinc/68/53/24/259685324.db2.gz PZQOUCJDESDMTP-UHFFFAOYSA-N 0 3 243.350 3.537 20 0 BHADHN Cc1ccc(CNCCc2cc(C)cc(C)c2)o1 ZINC000237833805 325371075 /nfs/dbraw/zinc/37/10/75/325371075.db2.gz IGPUUAMONPOUFB-UHFFFAOYSA-N 0 3 243.350 3.537 20 0 BHADHN CCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)C ZINC000245504370 398139763 /nfs/dbraw/zinc/13/97/63/398139763.db2.gz KBTFPAGFLPPCAK-DGCLKSJQSA-N 0 3 221.344 3.633 20 0 BHADHN CCN(Cc1ccc([C@H]2C[C@H]2C)o1)C(C)C ZINC000245504371 398139790 /nfs/dbraw/zinc/13/97/90/398139790.db2.gz KBTFPAGFLPPCAK-YPMHNXCESA-N 0 3 221.344 3.633 20 0 BHADHN CC[C@H](C)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000245513151 388585784 /nfs/dbraw/zinc/58/57/84/388585784.db2.gz CAUPHKOMHCUNGN-GVXVVHGQSA-N 0 3 221.344 3.633 20 0 BHADHN CC[C@H](C)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000245513152 388585319 /nfs/dbraw/zinc/58/53/19/388585319.db2.gz CAUPHKOMHCUNGN-MDZLAQPJSA-N 0 3 221.344 3.633 20 0 BHADHN CC[C@H](C)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000245513153 388585349 /nfs/dbraw/zinc/58/53/49/388585349.db2.gz CAUPHKOMHCUNGN-NTZNESFSSA-N 0 3 221.344 3.633 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000245514858 388585687 /nfs/dbraw/zinc/58/56/87/388585687.db2.gz GNQRDEPGPXIACL-GYSYKLTISA-N 0 3 233.355 3.633 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000245514859 388585401 /nfs/dbraw/zinc/58/54/01/388585401.db2.gz GNQRDEPGPXIACL-JTNHKYCSSA-N 0 3 233.355 3.633 20 0 BHADHN C[C@H](c1nc2ccccc2o1)N1CCC[C@H](C)C1 ZINC000245533721 387955483 /nfs/dbraw/zinc/95/54/83/387955483.db2.gz DOQVCEGFXVGXKH-NWDGAFQWSA-N 0 3 244.338 3.621 20 0 BHADHN C[C@H](c1nc2ccccc2o1)N1CCC[C@@H](C)C1 ZINC000245533724 387956194 /nfs/dbraw/zinc/95/61/94/387956194.db2.gz DOQVCEGFXVGXKH-VXGBXAGGSA-N 0 3 244.338 3.621 20 0 BHADHN C[C@H](c1nc2ccccc2o1)N1CC[C@@H](C)[C@@H]1C ZINC000245544633 388588096 /nfs/dbraw/zinc/58/80/96/388588096.db2.gz LHLVNMCHWQRGND-GRYCIOLGSA-N 0 3 244.338 3.619 20 0 BHADHN C[C@H](c1nc2ccccc2o1)N1CC[C@@H](C)[C@H]1C ZINC000245544636 388588224 /nfs/dbraw/zinc/58/82/24/388588224.db2.gz LHLVNMCHWQRGND-IJLUTSLNSA-N 0 3 244.338 3.619 20 0 BHADHN C[C@@H](c1nc2ccccc2o1)N1CC[C@@H](C)[C@@H]1C ZINC000245544638 388588433 /nfs/dbraw/zinc/58/84/33/388588433.db2.gz LHLVNMCHWQRGND-WOPDTQHZSA-N 0 3 244.338 3.619 20 0 BHADHN CC[C@H]1CCN([C@H](C)c2nc3ccccc3o2)C1 ZINC000245551672 388589218 /nfs/dbraw/zinc/58/92/18/388589218.db2.gz PUBFRLUWMIGDBN-NEPJUHHUSA-N 0 3 244.338 3.621 20 0 BHADHN CC[C@@H]1CCN([C@H](C)c2nc3ccccc3o2)C1 ZINC000245551676 388589110 /nfs/dbraw/zinc/58/91/10/388589110.db2.gz PUBFRLUWMIGDBN-VXGBXAGGSA-N 0 3 244.338 3.621 20 0 BHADHN CC[C@H](C)CN(C)[C@H](C)c1nc2ccccc2o1 ZINC000245553111 388589903 /nfs/dbraw/zinc/58/99/03/388589903.db2.gz RBEBQXBCGNZBGS-NWDGAFQWSA-N 0 3 246.354 3.867 20 0 BHADHN CC[C@@H](C)CN(C)[C@H](C)c1nc2ccccc2o1 ZINC000245553112 388589145 /nfs/dbraw/zinc/58/91/45/388589145.db2.gz RBEBQXBCGNZBGS-VXGBXAGGSA-N 0 3 246.354 3.867 20 0 BHADHN C[C@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccco1 ZINC000245590016 349083492 /nfs/dbraw/zinc/08/34/92/349083492.db2.gz KNQQKPNNZKXQFS-QEJZJMRPSA-N 0 3 241.334 3.734 20 0 BHADHN CC[C@@H](c1ccncc1)N(C)[C@@H]1C=CCCC1 ZINC000245741634 387981274 /nfs/dbraw/zinc/98/12/74/387981274.db2.gz GFLFXDCBAHZVLJ-CABCVRRESA-N 0 3 230.355 3.573 20 0 BHADHN CC[C@H](c1ccncc1)N(C)[C@@H]1C=CCCC1 ZINC000245741636 387980816 /nfs/dbraw/zinc/98/08/16/387980816.db2.gz GFLFXDCBAHZVLJ-HUUCEWRRSA-N 0 3 230.355 3.573 20 0 BHADHN C[C@@H]1CN(Cc2ccsc2)[C@H]1c1ccccc1 ZINC000245757973 388603586 /nfs/dbraw/zinc/60/35/86/388603586.db2.gz PBZPKTQEQDRRJH-IUODEOHRSA-N 0 3 243.375 3.941 20 0 BHADHN C[C@H]1CN(Cc2ccsc2)[C@H]1c1ccccc1 ZINC000245757975 388602816 /nfs/dbraw/zinc/60/28/16/388602816.db2.gz PBZPKTQEQDRRJH-SWLSCSKDSA-N 0 3 243.375 3.941 20 0 BHADHN C[C@@H]1CN(Cc2cccs2)[C@H]1c1ccccc1 ZINC000245788141 388605352 /nfs/dbraw/zinc/60/53/52/388605352.db2.gz VOXLONFTKXLGFZ-IUODEOHRSA-N 0 3 243.375 3.941 20 0 BHADHN C[C@H]1CN(Cc2cccs2)[C@H]1c1ccccc1 ZINC000245788148 388605347 /nfs/dbraw/zinc/60/53/47/388605347.db2.gz VOXLONFTKXLGFZ-SWLSCSKDSA-N 0 3 243.375 3.941 20 0 BHADHN C[C@H](c1ccco1)N(C1CC1)[C@@H]1C=CCCC1 ZINC000246117036 388617574 /nfs/dbraw/zinc/61/75/74/388617574.db2.gz UHGCWNOKRITRHV-CHWSQXEVSA-N 0 3 231.339 3.914 20 0 BHADHN C[C@@H](c1ccco1)N(C1CC1)[C@@H]1C=CCCC1 ZINC000246117042 388618078 /nfs/dbraw/zinc/61/80/78/388618078.db2.gz UHGCWNOKRITRHV-QWHCGFSZSA-N 0 3 231.339 3.914 20 0 BHADHN C[C@@H](c1cccs1)N(C)[C@@H]1C=CCCC1 ZINC000246149017 374178612 /nfs/dbraw/zinc/17/86/12/374178612.db2.gz SQVDOBGWIXJJFM-NWDGAFQWSA-N 0 3 221.369 3.850 20 0 BHADHN C[C@H](c1cccs1)N(C)[C@@H]1C=CCCC1 ZINC000246149024 374178327 /nfs/dbraw/zinc/17/83/27/374178327.db2.gz SQVDOBGWIXJJFM-VXGBXAGGSA-N 0 3 221.369 3.850 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1nc2ccccc2o1 ZINC000246204289 325550125 /nfs/dbraw/zinc/55/01/25/325550125.db2.gz VWAYWPHSBCMQDV-QJPTWQEYSA-N 0 3 246.354 3.913 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@H](C)c1nc2ccccc2o1 ZINC000246204293 325549946 /nfs/dbraw/zinc/54/99/46/325549946.db2.gz VWAYWPHSBCMQDV-SDDRHHMPSA-N 0 3 246.354 3.913 20 0 BHADHN C[C@@H](N[C@@H]1CC[C@@H](C)CC1)c1ccco1 ZINC000246337993 323008606 /nfs/dbraw/zinc/00/86/06/323008606.db2.gz GQANLBSHIJVPCW-IJLUTSLNSA-N 0 3 207.317 3.509 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)CC1)c1ccco1 ZINC000246338000 323008635 /nfs/dbraw/zinc/00/86/35/323008635.db2.gz GQANLBSHIJVPCW-SRVKXCTJSA-N 0 3 207.317 3.509 20 0 BHADHN Cc1csc([C@H](C)N[C@@H]2CCCC[C@H]2C)n1 ZINC000246584887 359149155 /nfs/dbraw/zinc/14/91/55/359149155.db2.gz BHQDVIYTEHIBBS-ADEWGFFLSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)N[C@H]2CCCC[C@H]2C)n1 ZINC000246584904 359149007 /nfs/dbraw/zinc/14/90/07/359149007.db2.gz BHQDVIYTEHIBBS-USWWRNFRSA-N 0 3 238.400 3.681 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2C=CCCC2)o1 ZINC000246603782 388645192 /nfs/dbraw/zinc/64/51/92/388645192.db2.gz QURGYUDMYFEQNQ-BZPMIXESSA-N 0 3 231.339 3.601 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2C=CCCC2)o1 ZINC000246603794 388645211 /nfs/dbraw/zinc/64/52/11/388645211.db2.gz QURGYUDMYFEQNQ-YRGRVCCFSA-N 0 3 231.339 3.601 20 0 BHADHN C[C@@H](N[C@H]1[C@H](C)CCC[C@@H]1C)c1nccs1 ZINC000246610712 359151176 /nfs/dbraw/zinc/15/11/76/359151176.db2.gz FHFTUMLHUVHYEK-KXNHARMFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1[C@H](C)CCC[C@@H]1C)c1nccs1 ZINC000246610724 359150897 /nfs/dbraw/zinc/15/08/97/359150897.db2.gz FHFTUMLHUVHYEK-WHOHXGKFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@@H](N[C@H]1CC[C@@H](C)C[C@H]1C)c1nccs1 ZINC000246783660 359164077 /nfs/dbraw/zinc/16/40/77/359164077.db2.gz CJMMQWQVPPPECM-KKOKHZNYSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1ccco1 ZINC000246796569 388651464 /nfs/dbraw/zinc/65/14/64/388651464.db2.gz PHKULBZIJSURAI-QJPTWQEYSA-N 0 3 209.333 3.755 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1ccco1 ZINC000246796588 325579194 /nfs/dbraw/zinc/57/91/94/325579194.db2.gz PHKULBZIJSURAI-SDDRHHMPSA-N 0 3 209.333 3.755 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)c1nccs1 ZINC000246992722 359181286 /nfs/dbraw/zinc/18/12/86/359181286.db2.gz RYHDPTJQMZVAAR-FIQHERPVSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1nccs1 ZINC000247015906 171298444 /nfs/dbraw/zinc/29/84/44/171298444.db2.gz UJMHMIAXQKZKIF-GARJFASQSA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1nccs1 ZINC000247015925 171295742 /nfs/dbraw/zinc/29/57/42/171295742.db2.gz UJMHMIAXQKZKIF-HBNTYKKESA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@H](C)c1nc(C)cs1 ZINC000247244283 364620908 /nfs/dbraw/zinc/62/09/08/364620908.db2.gz ZMDFODPQNWGZFT-INTQDDNPSA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(C)cs1 ZINC000247244297 364621059 /nfs/dbraw/zinc/62/10/59/364621059.db2.gz ZMDFODPQNWGZFT-JMJZKYOTSA-N 0 3 226.389 3.537 20 0 BHADHN C[C@H](c1cc(F)ccc1F)N1CCC[C@H]1C ZINC000247527015 359231178 /nfs/dbraw/zinc/23/11/78/359231178.db2.gz NWFNINUDQWZCTO-NXEZZACHSA-N 0 3 225.282 3.510 20 0 BHADHN C[C@H](c1cc(F)ccc1F)N1CCC[C@@H]1C ZINC000247527024 359231704 /nfs/dbraw/zinc/23/17/04/359231704.db2.gz NWFNINUDQWZCTO-VHSXEESVSA-N 0 3 225.282 3.510 20 0 BHADHN C[C@H](c1ccc(F)cc1F)N1CCC[C@H]1C ZINC000247555197 359233753 /nfs/dbraw/zinc/23/37/53/359233753.db2.gz QHLFQOZKBFAGCO-NXEZZACHSA-N 0 3 225.282 3.510 20 0 BHADHN C[C@H](c1ccc(F)cc1F)N1CCC[C@@H]1C ZINC000247555211 359234251 /nfs/dbraw/zinc/23/42/51/359234251.db2.gz QHLFQOZKBFAGCO-VHSXEESVSA-N 0 3 225.282 3.510 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H]1C ZINC000247572660 359235299 /nfs/dbraw/zinc/23/52/99/359235299.db2.gz RYFVNZIWMSJTRW-NXEZZACHSA-N 0 3 225.282 3.510 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H]1C ZINC000247572672 359235035 /nfs/dbraw/zinc/23/50/35/359235035.db2.gz RYFVNZIWMSJTRW-VHSXEESVSA-N 0 3 225.282 3.510 20 0 BHADHN CCCN(Cc1ccccc1Cl)CC1CC1 ZINC000247978355 538103988 /nfs/dbraw/zinc/10/39/88/538103988.db2.gz GNAJRGCXCVPYSF-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN Cc1cccc([C@H]2CCCN2[C@@H]2C=CCCC2)n1 ZINC000247995934 359251949 /nfs/dbraw/zinc/25/19/49/359251949.db2.gz JWCBZRHUSOPZLY-GDBMZVCRSA-N 0 3 242.366 3.636 20 0 BHADHN Cc1cccc([C@@H]2CCCN2[C@@H]2C=CCCC2)n1 ZINC000247995938 359250864 /nfs/dbraw/zinc/25/08/64/359250864.db2.gz JWCBZRHUSOPZLY-ZBFHGGJFSA-N 0 3 242.366 3.636 20 0 BHADHN CS[C@@H]1CCC[C@H](N[C@H](C)c2ccco2)C1 ZINC000248177218 359257346 /nfs/dbraw/zinc/25/73/46/359257346.db2.gz VTVCXESDFYOARA-GRYCIOLGSA-N 0 3 239.384 3.604 20 0 BHADHN CS[C@@H]1CCC[C@@H](N[C@H](C)c2ccco2)C1 ZINC000248177221 359257133 /nfs/dbraw/zinc/25/71/33/359257133.db2.gz VTVCXESDFYOARA-IJLUTSLNSA-N 0 3 239.384 3.604 20 0 BHADHN CCCCCN(Cc1ccccc1F)C1CC1 ZINC000248296714 537827738 /nfs/dbraw/zinc/82/77/38/537827738.db2.gz XRFBLYSCRYGAPY-UHFFFAOYSA-N 0 3 235.346 3.980 20 0 BHADHN Cl/C=C(\Cl)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000248297365 644673910 /nfs/dbraw/zinc/67/39/10/644673910.db2.gz ZKZFIWLRXQWWIP-YHQIDKOESA-N 0 3 234.170 3.570 20 0 BHADHN C[C@@H]1CCN(Cc2nc3ccccc3s2)[C@H]1C ZINC000248367784 359271338 /nfs/dbraw/zinc/27/13/38/359271338.db2.gz ULQIGZZNBLDDKH-MNOVXSKESA-N 0 3 246.379 3.527 20 0 BHADHN C[C@H]1CCN(Cc2nc3ccccc3s2)[C@H]1C ZINC000248367785 359271306 /nfs/dbraw/zinc/27/13/06/359271306.db2.gz ULQIGZZNBLDDKH-QWRGUYRKSA-N 0 3 246.379 3.527 20 0 BHADHN Cc1cncc(CN2CCC[C@H]3CCCC[C@H]32)c1 ZINC000248889071 388697709 /nfs/dbraw/zinc/69/77/09/388697709.db2.gz FLECTBQCWRLSDO-HZPDHXFCSA-N 0 3 244.382 3.545 20 0 BHADHN Cc1cncc(CN2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000248889076 388697701 /nfs/dbraw/zinc/69/77/01/388697701.db2.gz FLECTBQCWRLSDO-JKSUJKDBSA-N 0 3 244.382 3.545 20 0 BHADHN Cc1ccc([C@H](C)N(C)C[C@H]2CC[C@@H](C)O2)cc1 ZINC000248972419 135028809 /nfs/dbraw/zinc/02/88/09/135028809.db2.gz CXZRXRJNOUXPTP-IJEWVQPXSA-N 0 3 247.382 3.555 20 0 BHADHN Cc1ccc([C@H](C)N(C)C[C@H]2CC[C@H](C)O2)cc1 ZINC000248972422 135028418 /nfs/dbraw/zinc/02/84/18/135028418.db2.gz CXZRXRJNOUXPTP-OFQRWUPVSA-N 0 3 247.382 3.555 20 0 BHADHN Cc1ccc([C@H](C)N(C)C[C@@H]2CC[C@@H](C)O2)cc1 ZINC000248972426 135028424 /nfs/dbraw/zinc/02/84/24/135028424.db2.gz CXZRXRJNOUXPTP-YCPHGPKFSA-N 0 3 247.382 3.555 20 0 BHADHN CCN(Cc1nccs1)[C@H]1CCCC[C@H]1C ZINC000249377847 388719216 /nfs/dbraw/zinc/71/92/16/388719216.db2.gz OMFJGNDIVKJWHF-NEPJUHHUSA-N 0 3 238.400 3.544 20 0 BHADHN CCN(Cc1nccs1)[C@@H]1CCCC[C@H]1C ZINC000249377850 388719948 /nfs/dbraw/zinc/71/99/48/388719948.db2.gz OMFJGNDIVKJWHF-VXGBXAGGSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@H](C)CN1CCC[C@H]1c1csc(C)n1 ZINC000249427119 135038582 /nfs/dbraw/zinc/03/85/82/135038582.db2.gz GBYYECZWNGSNND-GWCFXTLKSA-N 0 3 238.400 3.635 20 0 BHADHN CC[C@@H](C)CN1CCC[C@H]1c1csc(C)n1 ZINC000249427123 535513343 /nfs/dbraw/zinc/51/33/43/535513343.db2.gz GBYYECZWNGSNND-MFKMUULPSA-N 0 3 238.400 3.635 20 0 BHADHN c1coc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000250072471 324204301 /nfs/dbraw/zinc/20/43/01/324204301.db2.gz BRKMWHKPIJWKKM-HZSPNIEDSA-N 0 3 233.355 3.728 20 0 BHADHN c1coc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000250072481 324204099 /nfs/dbraw/zinc/20/40/99/324204099.db2.gz BRKMWHKPIJWKKM-MELADBBJSA-N 0 3 233.355 3.728 20 0 BHADHN CCC[C@H](C)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000251254459 323140650 /nfs/dbraw/zinc/14/06/50/323140650.db2.gz CBJANFNHGUWHQQ-MDZLAQPJSA-N 0 3 221.344 3.681 20 0 BHADHN CCC[C@H](C)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251254464 388746481 /nfs/dbraw/zinc/74/64/81/388746481.db2.gz CBJANFNHGUWHQQ-NTZNESFSSA-N 0 3 221.344 3.681 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)c1nccs1 ZINC000251618300 135072861 /nfs/dbraw/zinc/07/28/61/135072861.db2.gz DHLJZBKYGVPILZ-WHOHXGKFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1nccs1 ZINC000251618305 135072811 /nfs/dbraw/zinc/07/28/11/135072811.db2.gz DHLJZBKYGVPILZ-WISYIIOYSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@@H]1CC[C@@H](NCc2ccc(Cl)o2)C[C@H]1C ZINC000251635313 388750754 /nfs/dbraw/zinc/75/07/54/388750754.db2.gz DXNSHNVPXXKWEQ-GMTAPVOTSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@@H]1CC[C@H](NCc2ccc(Cl)o2)C[C@H]1C ZINC000251635316 388750799 /nfs/dbraw/zinc/75/07/99/388750799.db2.gz DXNSHNVPXXKWEQ-MXWKQRLJSA-N 0 3 241.762 3.847 20 0 BHADHN CC[C@@H]1CCCCN1Cc1cccc(F)c1F ZINC000251748159 388752755 /nfs/dbraw/zinc/75/27/55/388752755.db2.gz AASVIKJZNRWHTG-GFCCVEGCSA-N 0 3 239.309 3.729 20 0 BHADHN CC[C@H]1CCCCN1Cc1cccc(F)c1F ZINC000251748163 388752509 /nfs/dbraw/zinc/75/25/09/388752509.db2.gz AASVIKJZNRWHTG-LBPRGKRZSA-N 0 3 239.309 3.729 20 0 BHADHN CC[C@H](C)CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251799147 322871531 /nfs/dbraw/zinc/87/15/31/322871531.db2.gz KJVYAVUKGBDZIW-DMDPSCGWSA-N 0 3 221.344 3.539 20 0 BHADHN CC[C@H](C)CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000251799150 384918067 /nfs/dbraw/zinc/91/80/67/384918067.db2.gz KJVYAVUKGBDZIW-LOWVWBTDSA-N 0 3 221.344 3.539 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N[C@H](C)c1nccs1 ZINC000251860410 535819435 /nfs/dbraw/zinc/81/94/35/535819435.db2.gz SSQMIAJHJHEDDM-IJLUTSLNSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1nccs1 ZINC000251860413 135080114 /nfs/dbraw/zinc/08/01/14/135080114.db2.gz SSQMIAJHJHEDDM-UTUOFQBUSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2nccs2)C1 ZINC000251899853 135080096 /nfs/dbraw/zinc/08/00/96/135080096.db2.gz WSPOBIJUHULTAN-IJLUTSLNSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2nccs2)C1 ZINC000251899856 135080071 /nfs/dbraw/zinc/08/00/71/135080071.db2.gz WSPOBIJUHULTAN-UTUOFQBUSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251933832 322871815 /nfs/dbraw/zinc/87/18/15/322871815.db2.gz RQJHTHXUHFISKN-KZVDOYCCSA-N 0 3 235.371 3.927 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000251933834 322871653 /nfs/dbraw/zinc/87/16/53/322871653.db2.gz RQJHTHXUHFISKN-MNXVOIDGSA-N 0 3 235.371 3.927 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000251933836 322871784 /nfs/dbraw/zinc/87/17/84/322871784.db2.gz RQJHTHXUHFISKN-OPDFLTKYSA-N 0 3 235.371 3.927 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1csc(C)n1 ZINC000251935480 171366376 /nfs/dbraw/zinc/36/63/76/171366376.db2.gz RUZUAGPCYQYYIR-IVZWLZJFSA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@H](C)c1csc(C)n1 ZINC000251935482 171391264 /nfs/dbraw/zinc/39/12/64/171391264.db2.gz RUZUAGPCYQYYIR-LPEHRKFASA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@@H](C)C[N@@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000252003546 388760826 /nfs/dbraw/zinc/76/08/26/388760826.db2.gz WKJFXMRHVYHVGU-CHWSQXEVSA-N 0 3 235.371 3.821 20 0 BHADHN CC[C@@H](C)C[N@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000252003546 388760825 /nfs/dbraw/zinc/76/08/25/388760825.db2.gz WKJFXMRHVYHVGU-CHWSQXEVSA-N 0 3 235.371 3.821 20 0 BHADHN CC[C@H](C)C[N@@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000252003547 388759976 /nfs/dbraw/zinc/75/99/76/388759976.db2.gz WKJFXMRHVYHVGU-QWHCGFSZSA-N 0 3 235.371 3.821 20 0 BHADHN CC[C@H](C)C[N@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000252003547 388759972 /nfs/dbraw/zinc/75/99/72/388759972.db2.gz WKJFXMRHVYHVGU-QWHCGFSZSA-N 0 3 235.371 3.821 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1csc(C)n1 ZINC000252017323 135082705 /nfs/dbraw/zinc/08/27/05/135082705.db2.gz WUMVDGJMIORDHD-GARJFASQSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1csc(C)n1 ZINC000252017325 135082790 /nfs/dbraw/zinc/08/27/90/135082790.db2.gz WUMVDGJMIORDHD-HBNTYKKESA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000252018798 171295752 /nfs/dbraw/zinc/29/57/52/171295752.db2.gz XAQNMNGYVZISIN-QJPTWQEYSA-N 0 3 238.350 3.696 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000252018800 171298230 /nfs/dbraw/zinc/29/82/30/171298230.db2.gz XAQNMNGYVZISIN-SDDRHHMPSA-N 0 3 238.350 3.696 20 0 BHADHN C[C@@H](N[C@H]1C[C@H](C)C[C@H](C)C1)c1nccs1 ZINC000252120046 135083609 /nfs/dbraw/zinc/08/36/09/135083609.db2.gz KROHGOTYSZUBRC-KXNHARMFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1C[C@H](C)C[C@H](C)C1)c1nccs1 ZINC000252120047 135083638 /nfs/dbraw/zinc/08/36/38/135083638.db2.gz KROHGOTYSZUBRC-WHOHXGKFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H]1C[C@H](NCc2ccc(Cl)o2)C[C@@H](C)C1 ZINC000252170855 388762172 /nfs/dbraw/zinc/76/21/72/388762172.db2.gz RDCZVHYEYYYJCC-URLYPYJESA-N 0 3 241.762 3.847 20 0 BHADHN C[C@@H]1CCC[C@@H](NCc2ccc(Cl)o2)[C@H]1C ZINC000252188222 322872168 /nfs/dbraw/zinc/87/21/68/322872168.db2.gz RFLFOIYXTFIUOS-JFGNBEQYSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@@H]1CCC[C@H](NCc2ccc(Cl)o2)[C@H]1C ZINC000252188223 384918577 /nfs/dbraw/zinc/91/85/77/384918577.db2.gz RFLFOIYXTFIUOS-SCVCMEIPSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@H](CC1CC1)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000252208536 135086364 /nfs/dbraw/zinc/08/63/64/135086364.db2.gz XPHIMFRIHWPSRF-GYSYKLTISA-N 0 3 233.355 3.681 20 0 BHADHN C[C@H](CC1CC1)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000252208537 135086971 /nfs/dbraw/zinc/08/69/71/135086971.db2.gz XPHIMFRIHWPSRF-JTNHKYCSSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@H](N[C@H]1C[C@H](C)CC[C@@H]1C)c1nccs1 ZINC000252208574 325686023 /nfs/dbraw/zinc/68/60/23/325686023.db2.gz XPOWOMMLZUIRSI-RHYQMDGZSA-N 0 3 238.400 3.618 20 0 BHADHN Cc1nc([C@H](C)N[C@@H]2CCCC[C@H]2C)cs1 ZINC000252391263 135088153 /nfs/dbraw/zinc/08/81/53/135088153.db2.gz QFWSOMTUCLTMGJ-JFGNBEQYSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@H]2CCCC[C@H]2C)cs1 ZINC000252391264 135088158 /nfs/dbraw/zinc/08/81/58/135088158.db2.gz QFWSOMTUCLTMGJ-SCVCMEIPSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(C)sc1C ZINC000252456921 584011753 /nfs/dbraw/zinc/01/17/53/584011753.db2.gz WHWPCUHKNUQRSV-IVZWLZJFSA-N 0 3 240.416 3.845 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@H](C)c1nc(C)sc1C ZINC000252456922 584011983 /nfs/dbraw/zinc/01/19/83/584011983.db2.gz WHWPCUHKNUQRSV-LPEHRKFASA-N 0 3 240.416 3.845 20 0 BHADHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)C1CCC1 ZINC000252710493 388773192 /nfs/dbraw/zinc/77/31/92/388773192.db2.gz GVJWJEDHMZKHJF-GYSYKLTISA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C1CCC1 ZINC000252710494 388773176 /nfs/dbraw/zinc/77/31/76/388773176.db2.gz GVJWJEDHMZKHJF-JTNHKYCSSA-N 0 3 233.355 3.681 20 0 BHADHN CS[C@@H]1CCCC[C@H]1N[C@H](C)c1ccco1 ZINC000252715245 346930234 /nfs/dbraw/zinc/93/02/34/346930234.db2.gz VAINQPNVQSNXNI-NQBHXWOUSA-N 0 3 239.384 3.604 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1cscn1 ZINC000252728240 388776781 /nfs/dbraw/zinc/77/67/81/388776781.db2.gz ALWYONMWMDLJIK-GARJFASQSA-N 0 3 226.389 3.618 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1cscn1 ZINC000252728241 388776894 /nfs/dbraw/zinc/77/68/94/388776894.db2.gz ALWYONMWMDLJIK-HBNTYKKESA-N 0 3 226.389 3.618 20 0 BHADHN Cc1nc([C@@H](C)N[C@H]2CC[C@H](C)CC2)cs1 ZINC000252732720 325693725 /nfs/dbraw/zinc/69/37/25/325693725.db2.gz WLFMEAAIWQTWHO-CKYFFXLPSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@H]2CC[C@H](C)CC2)cs1 ZINC000252732721 325693730 /nfs/dbraw/zinc/69/37/30/325693730.db2.gz WLFMEAAIWQTWHO-NHCYSSNCSA-N 0 3 238.400 3.681 20 0 BHADHN CCc1ccc(CN[C@H]2CC[C@H](C)CC2)o1 ZINC000252738906 325694474 /nfs/dbraw/zinc/69/44/74/325694474.db2.gz DZCRXXMNWWACDG-HAQNSBGRSA-N 0 3 221.344 3.510 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cscn1 ZINC000252787499 323141719 /nfs/dbraw/zinc/14/17/19/323141719.db2.gz AJOQVPZGYTWYJM-IJLUTSLNSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cscn1 ZINC000252787502 325696577 /nfs/dbraw/zinc/69/65/77/325696577.db2.gz AJOQVPZGYTWYJM-UTUOFQBUSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2cscn2)C1 ZINC000252788052 325696544 /nfs/dbraw/zinc/69/65/44/325696544.db2.gz IMYVYHYGPKUWKX-IJLUTSLNSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2cscn2)C1 ZINC000252788053 325696570 /nfs/dbraw/zinc/69/65/70/325696570.db2.gz IMYVYHYGPKUWKX-UTUOFQBUSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@H]1C[C@H](C)C[C@H](C)C1)c1cscn1 ZINC000252788351 349206038 /nfs/dbraw/zinc/20/60/38/349206038.db2.gz LFVWXHCBHDKRTO-KXNHARMFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1C[C@H](C)C[C@H](C)C1)c1cscn1 ZINC000252788352 349205961 /nfs/dbraw/zinc/20/59/61/349205961.db2.gz LFVWXHCBHDKRTO-WHOHXGKFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1[C@H](C)CCC[C@@H]1C)c1cscn1 ZINC000252788718 325696597 /nfs/dbraw/zinc/69/65/97/325696597.db2.gz RHNWRZBDSCYWIB-SRRSOLGSSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@@H](N[C@H]1[C@H](C)CCC[C@@H]1C)c1cscn1 ZINC000252788719 325696601 /nfs/dbraw/zinc/69/66/01/325696601.db2.gz RHNWRZBDSCYWIB-XZUYRWCXSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@@H](N[C@H]1CC[C@@H](C)C[C@H]1C)c1cscn1 ZINC000252788967 388785120 /nfs/dbraw/zinc/78/51/20/388785120.db2.gz SVNIBQJGFZOWQI-KKOKHZNYSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)c1cscn1 ZINC000252788971 388785037 /nfs/dbraw/zinc/78/50/37/388785037.db2.gz TYELTMAGURDBRS-FIQHERPVSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)c1cscn1 ZINC000252803570 388784894 /nfs/dbraw/zinc/78/48/94/388784894.db2.gz BVFGBVJUIRLOBT-WHOHXGKFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1cscn1 ZINC000252803571 388784944 /nfs/dbraw/zinc/78/49/44/388784944.db2.gz BVFGBVJUIRLOBT-WISYIIOYSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@@H]1CCC[C@H]1N[C@H](C)c1nc(C)cs1 ZINC000252951737 368170049 /nfs/dbraw/zinc/17/00/49/368170049.db2.gz PGVAZJJBLXOVEL-IJLUTSLNSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1nc(C)cs1 ZINC000252951739 368171055 /nfs/dbraw/zinc/17/10/55/368171055.db2.gz PGVAZJJBLXOVEL-UTUOFQBUSA-N 0 3 238.400 3.681 20 0 BHADHN C[C@H]1CC[C@H](NCc2cccc(F)c2F)CC1 ZINC000252966941 388794884 /nfs/dbraw/zinc/79/48/84/388794884.db2.gz TYEAJISGXCKEFB-UMSPYCQHSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H]1CC[C@H](NCc2ccc(Cl)o2)CC1 ZINC000252972203 323141834 /nfs/dbraw/zinc/14/18/34/323141834.db2.gz ZDKNAKNAQJTQLD-MGCOHNPYSA-N 0 3 227.735 3.601 20 0 BHADHN C[C@@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(C)(C)C ZINC000252972706 388794081 /nfs/dbraw/zinc/79/40/81/388794081.db2.gz ZQPCTTDKPSDXPP-NQBHXWOUSA-N 0 3 235.371 3.927 20 0 BHADHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(C)(C)C ZINC000252972707 388794610 /nfs/dbraw/zinc/79/46/10/388794610.db2.gz ZQPCTTDKPSDXPP-WZRBSPASSA-N 0 3 235.371 3.927 20 0 BHADHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@H](C)c1ncc[nH]1 ZINC000252979206 538104041 /nfs/dbraw/zinc/10/40/41/538104041.db2.gz GSTWCCIGJOGVDD-AAVRWANBSA-N 0 3 249.402 3.521 20 0 BHADHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@H](C)c1ncc[nH]1 ZINC000252979207 325701850 /nfs/dbraw/zinc/70/18/50/325701850.db2.gz GSTWCCIGJOGVDD-SYQHCUMBSA-N 0 3 249.402 3.521 20 0 BHADHN C[C@H](N[C@H]1CCCC[C@H]1C(C)(C)C)c1ncc[nH]1 ZINC000252979639 538103803 /nfs/dbraw/zinc/10/38/03/538103803.db2.gz ITNONJASVNEAGV-XQQFMLRXSA-N 0 3 249.402 3.665 20 0 BHADHN C[C@H](N[C@@H]1CCCC[C@H]1C(C)(C)C)c1ncc[nH]1 ZINC000252979640 538103667 /nfs/dbraw/zinc/10/36/67/538103667.db2.gz ITNONJASVNEAGV-YNEHKIRRSA-N 0 3 249.402 3.665 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CC[C@@H](C)C2)o1 ZINC000253176849 135122840 /nfs/dbraw/zinc/12/28/40/135122840.db2.gz AKZGPMUCXGTXMT-NMKXLXIOSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CC[C@@H](C)C2)o1 ZINC000253176852 135123172 /nfs/dbraw/zinc/12/31/72/135123172.db2.gz AKZGPMUCXGTXMT-NRWUCQMLSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN[C@H]2CC[C@@H](C)C2)o1 ZINC000253176854 135123370 /nfs/dbraw/zinc/12/33/70/135123370.db2.gz AKZGPMUCXGTXMT-UHXUPSOCSA-N 0 3 233.355 3.681 20 0 BHADHN Cc1ccsc1CN(C)Cc1ccc(F)cc1 ZINC000253598532 388821982 /nfs/dbraw/zinc/82/19/82/388821982.db2.gz CWGCYOPNQXGILN-UHFFFAOYSA-N 0 3 249.354 3.828 20 0 BHADHN C[C@H](NC/C=C\Cl)c1ccc(Cl)cc1 ZINC000255021132 642442818 /nfs/dbraw/zinc/44/28/18/642442818.db2.gz QSDYOHKPIMHWFX-HKQQGCEUSA-N 0 3 230.138 3.743 20 0 BHADHN C[C@@H](NC/C=C\Cl)c1ccc(Cl)cc1 ZINC000255021134 642444563 /nfs/dbraw/zinc/44/45/63/642444563.db2.gz QSDYOHKPIMHWFX-RMGQIXRRSA-N 0 3 230.138 3.743 20 0 BHADHN Cl/C=C(/Cl)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000255021748 643248944 /nfs/dbraw/zinc/24/89/44/643248944.db2.gz ZKZFIWLRXQWWIP-YCPUKSTGSA-N 0 3 234.170 3.570 20 0 BHADHN C[C@@H](NC/C=C\Cl)c1cccc(Cl)c1 ZINC000255359828 631332080 /nfs/dbraw/zinc/33/20/80/631332080.db2.gz LCFBIIRQZLUYTL-JVBZPZKUSA-N 0 3 230.138 3.743 20 0 BHADHN C[C@H](NC/C=C\Cl)c1cccc(Cl)c1 ZINC000255359831 642443750 /nfs/dbraw/zinc/44/37/50/642443750.db2.gz LCFBIIRQZLUYTL-RWIWAZIYSA-N 0 3 230.138 3.743 20 0 BHADHN C[C@@H](NC/C=C\c1ccccc1)c1ccoc1 ZINC000255362581 384498274 /nfs/dbraw/zinc/49/82/74/384498274.db2.gz DCHRJLQPQWTWII-DMTLFAOVSA-N 0 3 227.307 3.644 20 0 BHADHN C[C@H](NC/C=C\c1ccccc1)c1ccoc1 ZINC000255362583 384497815 /nfs/dbraw/zinc/49/78/15/384497815.db2.gz DCHRJLQPQWTWII-UJZCVKTISA-N 0 3 227.307 3.644 20 0 BHADHN Fc1cccc2[nH]c(CN3CCCCCC3)cc21 ZINC000257897768 322874028 /nfs/dbraw/zinc/87/40/28/322874028.db2.gz ARFCFOAFFOIJNB-UHFFFAOYSA-N 0 3 246.329 3.683 20 0 BHADHN Fc1ccc2oc(CN3CCCCCC3)cc2c1 ZINC000258047019 322874306 /nfs/dbraw/zinc/87/43/06/322874306.db2.gz OCCWWVVILWNHTM-UHFFFAOYSA-N 0 3 247.313 3.948 20 0 BHADHN Fc1ccc2cc(CN3CCCCCC3)[nH]c2c1 ZINC000258142860 322874545 /nfs/dbraw/zinc/87/45/45/322874545.db2.gz WDEHONMHHVZIAI-UHFFFAOYSA-N 0 3 246.329 3.683 20 0 BHADHN Cc1sc([C@H](C)N)nc1-c1cc(C)ccc1C ZINC000259068606 135136718 /nfs/dbraw/zinc/13/67/18/135136718.db2.gz CAXNZWLYYNFBTF-JTQLQIEISA-N 0 3 246.379 3.755 20 0 BHADHN Cc1sc([C@@H](C)N)nc1C1CCCCC1 ZINC000259235466 135141483 /nfs/dbraw/zinc/14/14/83/135141483.db2.gz MQADJKILBJAXEG-MRVPVSSYSA-N 0 3 224.373 3.519 20 0 BHADHN Cc1sc([C@H](C)N)nc1C1CCCCC1 ZINC000259235473 135141729 /nfs/dbraw/zinc/14/17/29/135141729.db2.gz MQADJKILBJAXEG-QMMMGPOBSA-N 0 3 224.373 3.519 20 0 BHADHN CC(C)CCN1CCc2[nH]c3ccccc3c2C1 ZINC000259470512 345340049 /nfs/dbraw/zinc/34/00/49/345340049.db2.gz QSUUGGMAUJDKRG-UHFFFAOYSA-N 0 3 242.366 3.572 20 0 BHADHN CCCCCN1CCc2[nH]c3ccccc3c2C1 ZINC000259480641 323016053 /nfs/dbraw/zinc/01/60/53/323016053.db2.gz RIXTXLVNKRGERS-UHFFFAOYSA-N 0 3 242.366 3.716 20 0 BHADHN CSCCN(C)Cc1ccc(C(C)C)cc1 ZINC000261368438 323196508 /nfs/dbraw/zinc/19/65/08/323196508.db2.gz ZBYYSNGUQJUXCE-UHFFFAOYSA-N 0 3 237.412 3.605 20 0 BHADHN C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](C)C1 ZINC000261378472 323320579 /nfs/dbraw/zinc/32/05/79/323320579.db2.gz AJYIEZBVDURSHY-NXEZZACHSA-N 0 3 241.737 3.882 20 0 BHADHN C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@H](C)C1 ZINC000261378474 323320787 /nfs/dbraw/zinc/32/07/87/323320787.db2.gz AJYIEZBVDURSHY-UWVGGRQHSA-N 0 3 241.737 3.882 20 0 BHADHN C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@H](C)C1 ZINC000261378475 323320974 /nfs/dbraw/zinc/32/09/74/323320974.db2.gz AJYIEZBVDURSHY-VHSXEESVSA-N 0 3 241.737 3.882 20 0 BHADHN C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](C)C1 ZINC000261378477 323320843 /nfs/dbraw/zinc/32/08/43/323320843.db2.gz AJYIEZBVDURSHY-ZJUUUORDSA-N 0 3 241.737 3.882 20 0 BHADHN C[C@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000261380638 177164946 /nfs/dbraw/zinc/16/49/46/177164946.db2.gz FDWBQHHZVMEFKF-JTQLQIEISA-N 0 3 243.272 3.547 20 0 BHADHN C[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000261380639 176175347 /nfs/dbraw/zinc/17/53/47/176175347.db2.gz FDWBQHHZVMEFKF-SNVBAGLBSA-N 0 3 243.272 3.547 20 0 BHADHN C[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000261383876 135150502 /nfs/dbraw/zinc/15/05/02/135150502.db2.gz JWWYLZYMULOZME-JTQLQIEISA-N 0 3 243.272 3.547 20 0 BHADHN C[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000261383878 135149912 /nfs/dbraw/zinc/14/99/12/135149912.db2.gz JWWYLZYMULOZME-SNVBAGLBSA-N 0 3 243.272 3.547 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1CC[C@@H](C)C1 ZINC000261392464 323327371 /nfs/dbraw/zinc/32/73/71/323327371.db2.gz PIXMXDYOOAKEOX-GHMZBOCLSA-N 0 3 223.747 3.743 20 0 BHADHN C[C@@H](c1cccc(Cl)c1)N1CC[C@@H](C)C1 ZINC000261392465 323327469 /nfs/dbraw/zinc/32/74/69/323327469.db2.gz PIXMXDYOOAKEOX-MNOVXSKESA-N 0 3 223.747 3.743 20 0 BHADHN C[C@@H](c1cccc(Cl)c1)N1CC[C@H](C)C1 ZINC000261392466 323327794 /nfs/dbraw/zinc/32/77/94/323327794.db2.gz PIXMXDYOOAKEOX-QWRGUYRKSA-N 0 3 223.747 3.743 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1CC[C@H](C)C1 ZINC000261392467 323327461 /nfs/dbraw/zinc/32/74/61/323327461.db2.gz PIXMXDYOOAKEOX-WDEREUQCSA-N 0 3 223.747 3.743 20 0 BHADHN C[C@H](c1ccccc1Cl)N1CC[C@@H](C)C1 ZINC000261397289 323328507 /nfs/dbraw/zinc/32/85/07/323328507.db2.gz TVBCOJNBZJXXCP-GHMZBOCLSA-N 0 3 223.747 3.743 20 0 BHADHN C[C@@H](c1ccccc1Cl)N1CC[C@@H](C)C1 ZINC000261397291 323328546 /nfs/dbraw/zinc/32/85/46/323328546.db2.gz TVBCOJNBZJXXCP-MNOVXSKESA-N 0 3 223.747 3.743 20 0 BHADHN C[C@@H](c1ccccc1Cl)N1CC[C@H](C)C1 ZINC000261397293 323328402 /nfs/dbraw/zinc/32/84/02/323328402.db2.gz TVBCOJNBZJXXCP-QWRGUYRKSA-N 0 3 223.747 3.743 20 0 BHADHN C[C@H](c1ccccc1Cl)N1CC[C@H](C)C1 ZINC000261397296 323328183 /nfs/dbraw/zinc/32/81/83/323328183.db2.gz TVBCOJNBZJXXCP-WDEREUQCSA-N 0 3 223.747 3.743 20 0 BHADHN CCN(Cc1ccccc1OC(C)C)CC1CC1 ZINC000261451838 343096012 /nfs/dbraw/zinc/09/60/12/343096012.db2.gz IWSKRPQFRAEOKG-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN CCN(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000261460472 398102727 /nfs/dbraw/zinc/10/27/27/398102727.db2.gz LSSYCHFYEVWTEH-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CCC(C)(C)c1csc(C2(N)CCCC2)n1 ZINC000261591107 135232167 /nfs/dbraw/zinc/23/21/67/135232167.db2.gz VANKBVNLRQROFQ-UHFFFAOYSA-N 0 3 238.400 3.559 20 0 BHADHN Cc1ccc([C@H](C)N(C)Cc2cccnc2)cc1 ZINC000263725531 178884041 /nfs/dbraw/zinc/88/40/41/178884041.db2.gz GCTHSMSBLJBKQI-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccc([C@@H](C)N(C)Cc2cccnc2)cc1 ZINC000263725537 386169709 /nfs/dbraw/zinc/16/97/09/386169709.db2.gz GCTHSMSBLJBKQI-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccccc1[C@H](C)N(C)Cc1ccccn1 ZINC000264260503 179334675 /nfs/dbraw/zinc/33/46/75/179334675.db2.gz IIKGYJMMSJDGAS-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccccc1[C@@H](C)N(C)Cc1ccccn1 ZINC000264260506 179317832 /nfs/dbraw/zinc/31/78/32/179317832.db2.gz IIKGYJMMSJDGAS-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN CC[C@@H](c1ccccc1)N(C)Cc1ccccn1 ZINC000264288923 351231923 /nfs/dbraw/zinc/23/19/23/351231923.db2.gz QUFFQBFHEGHRFA-INIZCTEOSA-N 0 3 240.350 3.665 20 0 BHADHN CC[C@H](c1ccccc1)N(C)Cc1ccccn1 ZINC000264288926 386223677 /nfs/dbraw/zinc/22/36/77/386223677.db2.gz QUFFQBFHEGHRFA-MRXNPFEDSA-N 0 3 240.350 3.665 20 0 BHADHN Cc1ccsc1CNC1(c2ccccc2)CC1 ZINC000264559707 386248408 /nfs/dbraw/zinc/24/84/08/386248408.db2.gz MWLQQZFNXWZIOB-UHFFFAOYSA-N 0 3 243.375 3.835 20 0 BHADHN CC[C@@H](c1ccccc1)N(CC)Cc1ccno1 ZINC000264702058 351252184 /nfs/dbraw/zinc/25/21/84/351252184.db2.gz KCMRQBMBQZDRLE-HNNXBMFYSA-N 0 3 244.338 3.648 20 0 BHADHN CC[C@H](c1ccccc1)N(CC)Cc1ccno1 ZINC000264702061 386263682 /nfs/dbraw/zinc/26/36/82/386263682.db2.gz KCMRQBMBQZDRLE-OAHLLOKOSA-N 0 3 244.338 3.648 20 0 BHADHN CCC(C)(C)N(C)Cc1cc(-c2ccco2)on1 ZINC000265238131 168286466 /nfs/dbraw/zinc/28/64/66/168286466.db2.gz QSZOFPBICZONNN-UHFFFAOYSA-N 0 3 248.326 3.555 20 0 BHADHN C[C@H](CN(C)CCC(F)(F)F)c1ccccc1 ZINC000265359023 386331091 /nfs/dbraw/zinc/33/10/91/386331091.db2.gz WJAMSUADYSGEGI-LLVKDONJSA-N 0 3 245.288 3.674 20 0 BHADHN C[C@@H](CN(C)CCC(F)(F)F)c1ccccc1 ZINC000265359025 386330429 /nfs/dbraw/zinc/33/04/29/386330429.db2.gz WJAMSUADYSGEGI-NSHDSACASA-N 0 3 245.288 3.674 20 0 BHADHN C[C@@H](c1cccnc1)N1CCC2(CCCC2)CC1 ZINC000265654979 176029185 /nfs/dbraw/zinc/02/91/85/176029185.db2.gz OZFUPPLAMAGOET-AWEZNQCLSA-N 0 3 244.382 3.799 20 0 BHADHN C[C@H](c1cccnc1)N1CCC2(CCCC2)CC1 ZINC000265654980 177045080 /nfs/dbraw/zinc/04/50/80/177045080.db2.gz OZFUPPLAMAGOET-CQSZACIVSA-N 0 3 244.382 3.799 20 0 BHADHN FC(F)(F)CCNC1(c2ccccc2)CCC1 ZINC000265827876 386376322 /nfs/dbraw/zinc/37/63/22/386376322.db2.gz JSVRVUHMGUCJIJ-UHFFFAOYSA-N 0 3 243.272 3.608 20 0 BHADHN CN(CCC(F)(F)F)[C@@H]1CCc2ccccc21 ZINC000265877935 386380989 /nfs/dbraw/zinc/38/09/89/386380989.db2.gz XLYYHRIEYVGQIE-GFCCVEGCSA-N 0 3 243.272 3.558 20 0 BHADHN CN(CCC(F)(F)F)[C@H]1CCc2ccccc21 ZINC000265877938 386382124 /nfs/dbraw/zinc/38/21/24/386382124.db2.gz XLYYHRIEYVGQIE-LBPRGKRZSA-N 0 3 243.272 3.558 20 0 BHADHN Cc1ccccc1[C@H](C)N(C)Cc1ccncc1 ZINC000265981722 179334098 /nfs/dbraw/zinc/33/40/98/179334098.db2.gz BRAHWFIGZJFRJY-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccccc1[C@@H](C)N(C)Cc1ccncc1 ZINC000265981723 179317970 /nfs/dbraw/zinc/31/79/70/179317970.db2.gz BRAHWFIGZJFRJY-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN CC(C)N(Cc1cccs1)Cc1ccncc1 ZINC000266021055 386391872 /nfs/dbraw/zinc/39/18/72/386391872.db2.gz OQFPGRFXKIWUNG-UHFFFAOYSA-N 0 3 246.379 3.554 20 0 BHADHN Cc1ccoc1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000266180671 386408695 /nfs/dbraw/zinc/40/86/95/386408695.db2.gz GBUDEBZDPFQODE-BLLLJJGKSA-N 0 3 241.334 3.611 20 0 BHADHN Cc1ccoc1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000266180672 386407433 /nfs/dbraw/zinc/40/74/33/386407433.db2.gz GBUDEBZDPFQODE-LRDDRELGSA-N 0 3 241.334 3.611 20 0 BHADHN Cc1ccoc1CN[C@H]1c2ccccc2C[C@H]1C ZINC000266180674 386408877 /nfs/dbraw/zinc/40/88/77/386408877.db2.gz GBUDEBZDPFQODE-MLGOLLRUSA-N 0 3 241.334 3.611 20 0 BHADHN Cc1ccoc1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000266180676 386408168 /nfs/dbraw/zinc/40/81/68/386408168.db2.gz GBUDEBZDPFQODE-WBMJQRKESA-N 0 3 241.334 3.611 20 0 BHADHN Cc1ccoc1CNC1CC(c2ccccc2)C1 ZINC000266209891 388995205 /nfs/dbraw/zinc/99/52/05/388995205.db2.gz OCCJSTVGTHKJCR-UHFFFAOYSA-N 0 3 241.334 3.624 20 0 BHADHN Cc1ccsc1CN(C)Cc1cccs1 ZINC000266974862 397942276 /nfs/dbraw/zinc/94/22/76/397942276.db2.gz ICXYGLINKXGPOV-UHFFFAOYSA-N 0 3 237.393 3.750 20 0 BHADHN Cc1ccc(CN(C)[C@@H](C)c2ccccn2)cc1 ZINC000267338721 386530557 /nfs/dbraw/zinc/53/05/57/386530557.db2.gz DFTDKOVHMMEPMT-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccc(CN(C)[C@H](C)c2ccccn2)cc1 ZINC000267339831 386529989 /nfs/dbraw/zinc/52/99/89/386529989.db2.gz DFTDKOVHMMEPMT-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN C[C@@H](c1ccccn1)N1CCC2(CCCC2)CC1 ZINC000267416879 176027408 /nfs/dbraw/zinc/02/74/08/176027408.db2.gz VIPDJOAKJCJCKG-AWEZNQCLSA-N 0 3 244.382 3.799 20 0 BHADHN C[C@H](c1ccccn1)N1CCC2(CCCC2)CC1 ZINC000267416882 177043746 /nfs/dbraw/zinc/04/37/46/177043746.db2.gz VIPDJOAKJCJCKG-CQSZACIVSA-N 0 3 244.382 3.799 20 0 BHADHN CCN(Cc1ccncc1)[C@@H](C)c1ccccc1 ZINC000267942414 351325616 /nfs/dbraw/zinc/32/56/16/351325616.db2.gz UVJGKOLELOFSNM-AWEZNQCLSA-N 0 3 240.350 3.665 20 0 BHADHN CCN(Cc1ccncc1)[C@H](C)c1ccccc1 ZINC000267942415 351325210 /nfs/dbraw/zinc/32/52/10/351325210.db2.gz UVJGKOLELOFSNM-CQSZACIVSA-N 0 3 240.350 3.665 20 0 BHADHN Cc1ccc([C@H](NCc2cc[nH]c2)C2CC2)cc1 ZINC000267953849 386604662 /nfs/dbraw/zinc/60/46/62/386604662.db2.gz UZXXFTKNESZELI-INIZCTEOSA-N 0 3 240.350 3.564 20 0 BHADHN Cc1ccc([C@@H](NCc2cc[nH]c2)C2CC2)cc1 ZINC000267953852 386603297 /nfs/dbraw/zinc/60/32/97/386603297.db2.gz UZXXFTKNESZELI-MRXNPFEDSA-N 0 3 240.350 3.564 20 0 BHADHN Cc1ccccc1[C@@H](NCc1cc[nH]c1)C1CC1 ZINC000267963274 179326958 /nfs/dbraw/zinc/32/69/58/179326958.db2.gz YDFWDTINFANPOB-INIZCTEOSA-N 0 3 240.350 3.564 20 0 BHADHN Cc1ccccc1[C@H](NCc1cc[nH]c1)C1CC1 ZINC000267963276 179345615 /nfs/dbraw/zinc/34/56/15/179345615.db2.gz YDFWDTINFANPOB-MRXNPFEDSA-N 0 3 240.350 3.564 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1c(C)noc1C ZINC000268806611 386699713 /nfs/dbraw/zinc/69/97/13/386699713.db2.gz CURLYTMALRCBJZ-LLVKDONJSA-N 0 3 236.359 3.516 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1c(C)noc1C ZINC000268806612 386697925 /nfs/dbraw/zinc/69/79/25/386697925.db2.gz CURLYTMALRCBJZ-NSHDSACASA-N 0 3 236.359 3.516 20 0 BHADHN Cc1cccc([C@@H](C)NCCC(F)(F)F)c1C ZINC000268900495 179180497 /nfs/dbraw/zinc/18/04/97/179180497.db2.gz BIQZMGOXVWBTCA-LLVKDONJSA-N 0 3 245.288 3.906 20 0 BHADHN Cc1cccc([C@H](C)NCCC(F)(F)F)c1C ZINC000268900512 179195356 /nfs/dbraw/zinc/19/53/56/179195356.db2.gz BIQZMGOXVWBTCA-NSHDSACASA-N 0 3 245.288 3.906 20 0 BHADHN CCc1ccc([C@@H](C)NCCCC(F)(F)F)o1 ZINC000268914162 386716512 /nfs/dbraw/zinc/71/65/12/386716512.db2.gz ILPKNPCPZOTFLV-SECBINFHSA-N 0 3 249.276 3.835 20 0 BHADHN CCc1ccc([C@H](C)NCCCC(F)(F)F)o1 ZINC000268914164 386718514 /nfs/dbraw/zinc/71/85/14/386718514.db2.gz ILPKNPCPZOTFLV-VIFPVBQESA-N 0 3 249.276 3.835 20 0 BHADHN Cc1cc([C@@H](C)NCCC(F)(F)F)ccc1F ZINC000269063749 178224588 /nfs/dbraw/zinc/22/45/88/178224588.db2.gz KUUALVVYXICGKO-SECBINFHSA-N 0 3 249.251 3.737 20 0 BHADHN Cc1cc([C@H](C)NCCC(F)(F)F)ccc1F ZINC000269063754 178247618 /nfs/dbraw/zinc/24/76/18/178247618.db2.gz KUUALVVYXICGKO-VIFPVBQESA-N 0 3 249.251 3.737 20 0 BHADHN Cc1ccncc1CN(C)[C@@H](C)c1ccccc1 ZINC000269713338 385628846 /nfs/dbraw/zinc/62/88/46/385628846.db2.gz RXGPYCJGKYTUKH-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccncc1CN(C)[C@H](C)c1ccccc1 ZINC000269713340 385629513 /nfs/dbraw/zinc/62/95/13/385629513.db2.gz RXGPYCJGKYTUKH-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1occc1CN(C)CCCCC(F)(F)F ZINC000269867012 385642607 /nfs/dbraw/zinc/64/26/07/385642607.db2.gz LYJHLLBYJXOQMJ-UHFFFAOYSA-N 0 3 249.276 3.752 20 0 BHADHN CCN(Cc1ccccc1)[C@@H](C)c1cccnc1 ZINC000270681872 411427837 /nfs/dbraw/zinc/42/78/37/411427837.db2.gz VCHLHDUVTUUXQW-AWEZNQCLSA-N 0 3 240.350 3.665 20 0 BHADHN CCN(Cc1ccccc1)[C@H](C)c1cccnc1 ZINC000270681873 411428366 /nfs/dbraw/zinc/42/83/66/411428366.db2.gz VCHLHDUVTUUXQW-CQSZACIVSA-N 0 3 240.350 3.665 20 0 BHADHN CC(C)N(Cc1cnc2ccccc2c1)C1CC1 ZINC000271067309 385781519 /nfs/dbraw/zinc/78/15/19/385781519.db2.gz JZVNEZDNVNWLEX-UHFFFAOYSA-N 0 3 240.350 3.608 20 0 BHADHN C[C@H](NC1CC(C)C1)c1ccc2ccccc2n1 ZINC000271435483 168146288 /nfs/dbraw/zinc/14/62/88/168146288.db2.gz CNJAEZDUYUTULT-LXVYMNJGSA-N 0 3 240.350 3.684 20 0 BHADHN C[C@@H](NC1CC(C)C1)c1ccc2ccccc2n1 ZINC000271435486 168148074 /nfs/dbraw/zinc/14/80/74/168148074.db2.gz CNJAEZDUYUTULT-MBHSVXNSSA-N 0 3 240.350 3.684 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1ccccn1 ZINC000271471395 385832529 /nfs/dbraw/zinc/83/25/29/385832529.db2.gz IZWOYBRJTAJSCR-DUVNUKRYSA-N 0 3 244.382 3.701 20 0 BHADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1ccccn1 ZINC000271471398 385832450 /nfs/dbraw/zinc/83/24/50/385832450.db2.gz IZWOYBRJTAJSCR-NOLJZWGESA-N 0 3 244.382 3.701 20 0 BHADHN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccccc1 ZINC000271490604 385831745 /nfs/dbraw/zinc/83/17/45/385831745.db2.gz OVMHKHQFQHVYGH-KBPBESRZSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccncc1[C@H](C)N[C@H](C)c1ccccc1 ZINC000271490606 385831775 /nfs/dbraw/zinc/83/17/75/385831775.db2.gz OVMHKHQFQHVYGH-KGLIPLIRSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000271490608 385832115 /nfs/dbraw/zinc/83/21/15/385832115.db2.gz OVMHKHQFQHVYGH-UONOGXRCSA-N 0 3 240.350 3.802 20 0 BHADHN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccccc1 ZINC000271490609 385831936 /nfs/dbraw/zinc/83/19/36/385831936.db2.gz OVMHKHQFQHVYGH-ZIAGYGMSSA-N 0 3 240.350 3.802 20 0 BHADHN c1ccc2c(c1)OC1(CCC1)C[C@@H]2NC1CCC1 ZINC000271497671 187848182 /nfs/dbraw/zinc/84/81/82/187848182.db2.gz QERJNYUWWPBINJ-AWEZNQCLSA-N 0 3 243.350 3.575 20 0 BHADHN c1ccc2c(c1)OC1(CCC1)C[C@H]2NC1CCC1 ZINC000271497673 385833424 /nfs/dbraw/zinc/83/34/24/385833424.db2.gz QERJNYUWWPBINJ-CQSZACIVSA-N 0 3 243.350 3.575 20 0 BHADHN Cc1ccncc1[C@@H](C)N[C@@H](C)c1cccs1 ZINC000271501132 385834276 /nfs/dbraw/zinc/83/42/76/385834276.db2.gz GREPPGULNYALAH-NEPJUHHUSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccncc1[C@H](C)N[C@H](C)c1cccs1 ZINC000271501133 385834516 /nfs/dbraw/zinc/83/45/16/385834516.db2.gz GREPPGULNYALAH-NWDGAFQWSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccncc1[C@H](C)N[C@@H](C)c1cccs1 ZINC000271501136 385833435 /nfs/dbraw/zinc/83/34/35/385833435.db2.gz GREPPGULNYALAH-RYUDHWBXSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccncc1[C@@H](C)N[C@H](C)c1cccs1 ZINC000271501138 179497572 /nfs/dbraw/zinc/49/75/72/179497572.db2.gz GREPPGULNYALAH-VXGBXAGGSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccccc1CN[C@@H](C)c1cnccc1C ZINC000271508935 179282484 /nfs/dbraw/zinc/28/24/84/179282484.db2.gz OYCLHPKUBUTEFY-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccccc1CN[C@H](C)c1cnccc1C ZINC000271508936 179284381 /nfs/dbraw/zinc/28/43/81/179284381.db2.gz OYCLHPKUBUTEFY-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2cnccc2C)cc1 ZINC000271540014 385836766 /nfs/dbraw/zinc/83/67/66/385836766.db2.gz SKLWAKFAIFVHNA-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(CN[C@H](C)c2cnccc2C)cc1 ZINC000271540015 385837254 /nfs/dbraw/zinc/83/72/54/385837254.db2.gz SKLWAKFAIFVHNA-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc(CN[C@H](C)c2cnccc2C)s1 ZINC000271552983 385837344 /nfs/dbraw/zinc/83/73/44/385837344.db2.gz USYHFRJHSUBRFY-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2cnccc2C)s1 ZINC000271552986 385836203 /nfs/dbraw/zinc/83/62/03/385836203.db2.gz USYHFRJHSUBRFY-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000271570366 188199404 /nfs/dbraw/zinc/19/94/04/188199404.db2.gz YPNOEYWKSAZMOB-GXTWGEPZSA-N 0 3 247.386 3.512 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000271570367 385838206 /nfs/dbraw/zinc/83/82/06/385838206.db2.gz YPNOEYWKSAZMOB-JSGCOSHPSA-N 0 3 247.386 3.512 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000271570368 188199150 /nfs/dbraw/zinc/19/91/50/188199150.db2.gz YPNOEYWKSAZMOB-OCCSQVGLSA-N 0 3 247.386 3.512 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000271570369 188376603 /nfs/dbraw/zinc/37/66/03/188376603.db2.gz YPNOEYWKSAZMOB-TZMCWYRMSA-N 0 3 247.386 3.512 20 0 BHADHN Cc1cccc(CN[C@@H](C)c2cnccc2C)c1 ZINC000271584585 179097570 /nfs/dbraw/zinc/09/75/70/179097570.db2.gz YYEYLAGDFSPUQA-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc(CN[C@H](C)c2cnccc2C)c1 ZINC000271584587 179099696 /nfs/dbraw/zinc/09/96/96/179099696.db2.gz YYEYLAGDFSPUQA-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccsc1CN[C@H](C)c1cnccc1C ZINC000271589787 411431908 /nfs/dbraw/zinc/43/19/08/411431908.db2.gz ZQCFMRQORKRDSF-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccsc1CN[C@@H](C)c1cnccc1C ZINC000271589788 411431772 /nfs/dbraw/zinc/43/17/72/411431772.db2.gz ZQCFMRQORKRDSF-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN FCCN[C@@H](c1cccs1)C1CCCC1 ZINC000271713787 389024442 /nfs/dbraw/zinc/02/44/42/389024442.db2.gz WGCFNLNGUOVBQM-GFCCVEGCSA-N 0 3 227.348 3.539 20 0 BHADHN FCCN[C@H](c1cccs1)C1CCCC1 ZINC000271713790 389022835 /nfs/dbraw/zinc/02/28/35/389022835.db2.gz WGCFNLNGUOVBQM-LBPRGKRZSA-N 0 3 227.348 3.539 20 0 BHADHN CC(C)(NCCC(F)(F)F)c1cccc(F)c1 ZINC000271745166 187336059 /nfs/dbraw/zinc/33/60/59/187336059.db2.gz DKESEXFHIASOII-UHFFFAOYSA-N 0 3 249.251 3.603 20 0 BHADHN Cc1cccc(C(C)(C)NCCC(F)(F)F)c1 ZINC000271807051 179026681 /nfs/dbraw/zinc/02/66/81/179026681.db2.gz QGWBNSCWXFGQRJ-UHFFFAOYSA-N 0 3 245.288 3.772 20 0 BHADHN c1ccc(C2(N[C@H]3CCc4ccccc43)CC2)cc1 ZINC000271964222 183389709 /nfs/dbraw/zinc/38/97/09/183389709.db2.gz GRUOCEAOCAHSHH-KRWDZBQOSA-N 0 3 249.357 3.953 20 0 BHADHN c1ccc(C2(N[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000271964225 183389668 /nfs/dbraw/zinc/38/96/68/183389668.db2.gz GRUOCEAOCAHSHH-QGZVFWFLSA-N 0 3 249.357 3.953 20 0 BHADHN C[C@H](c1nc2ccccc2o1)N(C)CC(C)(C)C ZINC000272305019 177054613 /nfs/dbraw/zinc/05/46/13/177054613.db2.gz OAJFOEOLMJWXMG-LLVKDONJSA-N 0 3 246.354 3.867 20 0 BHADHN C[C@@H](c1nc2ccccc2o1)N(C)CC(C)(C)C ZINC000272305023 176039802 /nfs/dbraw/zinc/03/98/02/176039802.db2.gz OAJFOEOLMJWXMG-NSHDSACASA-N 0 3 246.354 3.867 20 0 BHADHN CCCN(CC)[C@H](C)c1nc2ccccc2o1 ZINC000272386852 169132760 /nfs/dbraw/zinc/13/27/60/169132760.db2.gz YZVUDRNKBCIGIJ-LLVKDONJSA-N 0 3 232.327 3.621 20 0 BHADHN CCCN(CC)[C@@H](C)c1nc2ccccc2o1 ZINC000272386856 169131975 /nfs/dbraw/zinc/13/19/75/169131975.db2.gz YZVUDRNKBCIGIJ-NSHDSACASA-N 0 3 232.327 3.621 20 0 BHADHN CCCC[C@@H](C)N[C@H](CCOC)c1ccco1 ZINC000272500040 351481208 /nfs/dbraw/zinc/48/12/08/351481208.db2.gz DPJKYBLXSVJEQR-CHWSQXEVSA-N 0 3 239.359 3.526 20 0 BHADHN CCCC[C@@H](C)N[C@@H](CCOC)c1ccco1 ZINC000272500041 168949575 /nfs/dbraw/zinc/94/95/75/168949575.db2.gz DPJKYBLXSVJEQR-OLZOCXBDSA-N 0 3 239.359 3.526 20 0 BHADHN CCCC[C@H](C)N[C@H](CCOC)c1ccco1 ZINC000272500043 351481501 /nfs/dbraw/zinc/48/15/01/351481501.db2.gz DPJKYBLXSVJEQR-QWHCGFSZSA-N 0 3 239.359 3.526 20 0 BHADHN CCCC[C@H](C)N[C@@H](CCOC)c1ccco1 ZINC000272500046 351481292 /nfs/dbraw/zinc/48/12/92/351481292.db2.gz DPJKYBLXSVJEQR-STQMWFEESA-N 0 3 239.359 3.526 20 0 BHADHN C[C@@H](NCCF)c1cc2ccccc2s1 ZINC000273233221 389039825 /nfs/dbraw/zinc/03/98/25/389039825.db2.gz ACGQYYPVHWVVCX-SECBINFHSA-N 0 3 223.316 3.521 20 0 BHADHN C[C@H](NCCF)c1cc2ccccc2s1 ZINC000273233222 389039073 /nfs/dbraw/zinc/03/90/73/389039073.db2.gz ACGQYYPVHWVVCX-VIFPVBQESA-N 0 3 223.316 3.521 20 0 BHADHN Cc1ccsc1CN[C@H](C)c1cncc(C)c1 ZINC000274541706 386118794 /nfs/dbraw/zinc/11/87/94/386118794.db2.gz BWKPGBJRARLCKH-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccsc1CN[C@@H](C)c1cncc(C)c1 ZINC000274541708 179686602 /nfs/dbraw/zinc/68/66/02/179686602.db2.gz BWKPGBJRARLCKH-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN C[C@H](NCC1(C)CCC1)c1ccc(Cl)cn1 ZINC000274861194 384148270 /nfs/dbraw/zinc/14/82/70/384148270.db2.gz CVEGHDNGNPOFAO-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCC1(C)CCC1)c1ccc(Cl)cn1 ZINC000274861196 384148074 /nfs/dbraw/zinc/14/80/74/384148074.db2.gz CVEGHDNGNPOFAO-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN CCC1(CN[C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274873668 389049334 /nfs/dbraw/zinc/04/93/34/389049334.db2.gz GGWDICMASPMWQN-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN CCC1(CN[C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274873669 389049507 /nfs/dbraw/zinc/04/95/07/389049507.db2.gz GGWDICMASPMWQN-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN CC(C)C[C@@H](C)N[C@H](C)c1ccc(Cl)cn1 ZINC000274910523 188093678 /nfs/dbraw/zinc/09/36/78/188093678.db2.gz NACPCPWQGLLOCC-GHMZBOCLSA-N 0 3 240.778 3.820 20 0 BHADHN CC(C)C[C@@H](C)N[C@@H](C)c1ccc(Cl)cn1 ZINC000274910524 385273203 /nfs/dbraw/zinc/27/32/03/385273203.db2.gz NACPCPWQGLLOCC-MNOVXSKESA-N 0 3 240.778 3.820 20 0 BHADHN CC(C)C[C@H](C)N[C@@H](C)c1ccc(Cl)cn1 ZINC000274910525 385274333 /nfs/dbraw/zinc/27/43/33/385274333.db2.gz NACPCPWQGLLOCC-QWRGUYRKSA-N 0 3 240.778 3.820 20 0 BHADHN CC(C)C[C@H](C)N[C@H](C)c1ccc(Cl)cn1 ZINC000274910526 188265905 /nfs/dbraw/zinc/26/59/05/188265905.db2.gz NACPCPWQGLLOCC-WDEREUQCSA-N 0 3 240.778 3.820 20 0 BHADHN C[C@H](NCC1CCCC1)c1ccc(Cl)cn1 ZINC000274936411 383874506 /nfs/dbraw/zinc/87/45/06/383874506.db2.gz SAEWTRLJBPHPLA-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCC1CCCC1)c1ccc(Cl)cn1 ZINC000274936413 383872981 /nfs/dbraw/zinc/87/29/81/383872981.db2.gz SAEWTRLJBPHPLA-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN C[C@H](NC1CCCCC1)c1ccc(Cl)cn1 ZINC000274953421 389052055 /nfs/dbraw/zinc/05/20/55/389052055.db2.gz VNSAPVUGWZYUGO-JTQLQIEISA-N 0 3 238.762 3.718 20 0 BHADHN C[C@@H](NC1CCCCC1)c1ccc(Cl)cn1 ZINC000274953424 383899917 /nfs/dbraw/zinc/89/99/17/383899917.db2.gz VNSAPVUGWZYUGO-SNVBAGLBSA-N 0 3 238.762 3.718 20 0 BHADHN CCCCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000274968941 389052293 /nfs/dbraw/zinc/05/22/93/389052293.db2.gz XXRHVODEVLMOOW-JTQLQIEISA-N 0 3 226.751 3.576 20 0 BHADHN CCCCCN[C@H](C)c1ccc(Cl)cn1 ZINC000274968942 389052079 /nfs/dbraw/zinc/05/20/79/389052079.db2.gz XXRHVODEVLMOOW-SNVBAGLBSA-N 0 3 226.751 3.576 20 0 BHADHN CC(C)CCCN(C)[C@H](C)c1ccccn1 ZINC000275095212 386180830 /nfs/dbraw/zinc/18/08/30/386180830.db2.gz DFJUEDLMTSFZTH-CYBMUJFWSA-N 0 3 220.360 3.511 20 0 BHADHN CC(C)CCCN(C)[C@@H](C)c1ccccn1 ZINC000275095214 386180367 /nfs/dbraw/zinc/18/03/67/386180367.db2.gz DFJUEDLMTSFZTH-ZDUSSCGKSA-N 0 3 220.360 3.511 20 0 BHADHN CC(C)CCCN(C)[C@H](C)c1cccnc1 ZINC000275138895 386185594 /nfs/dbraw/zinc/18/55/94/386185594.db2.gz MMLFLAYEXNXLSE-CYBMUJFWSA-N 0 3 220.360 3.511 20 0 BHADHN CC(C)CCCN(C)[C@@H](C)c1cccnc1 ZINC000275138897 386185325 /nfs/dbraw/zinc/18/53/25/386185325.db2.gz MMLFLAYEXNXLSE-ZDUSSCGKSA-N 0 3 220.360 3.511 20 0 BHADHN CC(C)CCCN(C)[C@H](C)c1ccncc1 ZINC000275154590 386184332 /nfs/dbraw/zinc/18/43/32/386184332.db2.gz QBKMFCDCGPRVLO-CYBMUJFWSA-N 0 3 220.360 3.511 20 0 BHADHN CC(C)CCCN(C)[C@@H](C)c1ccncc1 ZINC000275154591 386185458 /nfs/dbraw/zinc/18/54/58/386185458.db2.gz QBKMFCDCGPRVLO-ZDUSSCGKSA-N 0 3 220.360 3.511 20 0 BHADHN CC[C@@H](c1ccncc1)N(C)Cc1cccs1 ZINC000275345264 351597921 /nfs/dbraw/zinc/59/79/21/351597921.db2.gz YNNAHPVTCVZQBH-AWEZNQCLSA-N 0 3 246.379 3.726 20 0 BHADHN CC[C@H](c1ccncc1)N(C)Cc1cccs1 ZINC000275345266 386202750 /nfs/dbraw/zinc/20/27/50/386202750.db2.gz YNNAHPVTCVZQBH-CQSZACIVSA-N 0 3 246.379 3.726 20 0 BHADHN Cc1cccc([C@H](C)N(C)Cc2ccccn2)c1 ZINC000275515574 179193341 /nfs/dbraw/zinc/19/33/41/179193341.db2.gz DHMVSOAXEKEGKH-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cccc([C@@H](C)N(C)Cc2ccccn2)c1 ZINC000275515580 179178753 /nfs/dbraw/zinc/17/87/53/179178753.db2.gz DHMVSOAXEKEGKH-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN CC(C)(C)CC(C)(C)NCc1ccc(F)cn1 ZINC000276346139 386308808 /nfs/dbraw/zinc/30/88/08/386308808.db2.gz JFZAKMJUONMGKN-UHFFFAOYSA-N 0 3 238.350 3.525 20 0 BHADHN CC(C)=CCCN[C@H](C)c1cccnc1Cl ZINC000276745413 188266888 /nfs/dbraw/zinc/26/68/88/188266888.db2.gz HAFVMCYSSPTBSF-LLVKDONJSA-N 0 3 238.762 3.742 20 0 BHADHN CC(C)=CCCN[C@@H](C)c1cccnc1Cl ZINC000276745416 388351347 /nfs/dbraw/zinc/35/13/47/388351347.db2.gz HAFVMCYSSPTBSF-NSHDSACASA-N 0 3 238.762 3.742 20 0 BHADHN c1cc(CNCc2ccc(C3CCC3)cc2)c[nH]1 ZINC000276870568 183351490 /nfs/dbraw/zinc/35/14/90/183351490.db2.gz CMGIQVAVSFFUGT-UHFFFAOYSA-N 0 3 240.350 3.572 20 0 BHADHN CCC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccsc1 ZINC000276873622 386386462 /nfs/dbraw/zinc/38/64/62/386386462.db2.gz FHDWQQCXWAEJBW-GWCFXTLKSA-N 0 3 249.383 3.663 20 0 BHADHN CCC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccsc1 ZINC000276873625 386385730 /nfs/dbraw/zinc/38/57/30/386385730.db2.gz FHDWQQCXWAEJBW-GXFFZTMASA-N 0 3 249.383 3.663 20 0 BHADHN CCC[C@H](N[C@H](C)c1cn[nH]c1)c1ccsc1 ZINC000276873627 386386266 /nfs/dbraw/zinc/38/62/66/386386266.db2.gz FHDWQQCXWAEJBW-MFKMUULPSA-N 0 3 249.383 3.663 20 0 BHADHN CCC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccsc1 ZINC000276873629 386387099 /nfs/dbraw/zinc/38/70/99/386387099.db2.gz FHDWQQCXWAEJBW-ZWNOBZJWSA-N 0 3 249.383 3.663 20 0 BHADHN CC(C)=CCCN[C@H](C)c1ccc(Cl)cn1 ZINC000276922970 388351784 /nfs/dbraw/zinc/35/17/84/388351784.db2.gz RCVUPGJNZYINAA-LLVKDONJSA-N 0 3 238.762 3.742 20 0 BHADHN CC(C)=CCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000276922980 388351738 /nfs/dbraw/zinc/35/17/38/388351738.db2.gz RCVUPGJNZYINAA-NSHDSACASA-N 0 3 238.762 3.742 20 0 BHADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000276951796 386395192 /nfs/dbraw/zinc/39/51/92/386395192.db2.gz QUGWOUWJEDVUJU-UTUOFQBUSA-N 0 3 247.338 3.507 20 0 BHADHN CCC(=O)CCN([C@H](C)c1ccccc1)C1CC1 ZINC000276953371 168200883 /nfs/dbraw/zinc/20/08/83/168200883.db2.gz WDCWCONFFSZMMW-CYBMUJFWSA-N 0 3 245.366 3.581 20 0 BHADHN CCC(=O)CCN([C@@H](C)c1ccccc1)C1CC1 ZINC000276953374 168201179 /nfs/dbraw/zinc/20/11/79/168201179.db2.gz WDCWCONFFSZMMW-ZDUSSCGKSA-N 0 3 245.366 3.581 20 0 BHADHN CCC[C@H](NCc1ccn(C)c1)c1ccsc1 ZINC000276978273 386396162 /nfs/dbraw/zinc/39/61/62/386396162.db2.gz VLKPKFHIFIRUAH-AWEZNQCLSA-N 0 3 248.395 3.718 20 0 BHADHN CCC[C@@H](NCc1ccn(C)c1)c1ccsc1 ZINC000276978275 386396938 /nfs/dbraw/zinc/39/69/38/386396938.db2.gz VLKPKFHIFIRUAH-CQSZACIVSA-N 0 3 248.395 3.718 20 0 BHADHN Cc1ccc([C@@H](C)NC2CC(F)(F)C2)s1 ZINC000277006306 398173051 /nfs/dbraw/zinc/17/30/51/398173051.db2.gz BFAKUMKRYJBRQC-MRVPVSSYSA-N 0 3 231.311 3.505 20 0 BHADHN Cc1ccc([C@H](C)NC2CC(F)(F)C2)s1 ZINC000277006307 388352013 /nfs/dbraw/zinc/35/20/13/388352013.db2.gz BFAKUMKRYJBRQC-QMMMGPOBSA-N 0 3 231.311 3.505 20 0 BHADHN C[C@@H](NC1CC(F)(F)C1)c1cccc(Cl)c1 ZINC000277036506 175856794 /nfs/dbraw/zinc/85/67/94/175856794.db2.gz FTIXCBONUCTJFQ-MRVPVSSYSA-N 0 3 245.700 3.788 20 0 BHADHN C[C@H](NC1CC(F)(F)C1)c1cccc(Cl)c1 ZINC000277036508 388352807 /nfs/dbraw/zinc/35/28/07/388352807.db2.gz FTIXCBONUCTJFQ-QMMMGPOBSA-N 0 3 245.700 3.788 20 0 BHADHN CCC[C@@H](NC1CC(F)(F)C1)c1ccsc1 ZINC000277036565 169399789 /nfs/dbraw/zinc/39/97/89/169399789.db2.gz FUIOBGBZKWPHOC-LLVKDONJSA-N 0 3 245.338 3.977 20 0 BHADHN CCC[C@H](NC1CC(F)(F)C1)c1ccsc1 ZINC000277036566 388352463 /nfs/dbraw/zinc/35/24/63/388352463.db2.gz FUIOBGBZKWPHOC-NSHDSACASA-N 0 3 245.338 3.977 20 0 BHADHN CC[C@@H](NC1CC(F)(F)C1)c1ccccc1 ZINC000277038734 384657967 /nfs/dbraw/zinc/65/79/67/384657967.db2.gz FZNSFNYWMDVNHF-GFCCVEGCSA-N 0 3 225.282 3.525 20 0 BHADHN CC[C@H](NC1CC(F)(F)C1)c1ccccc1 ZINC000277038736 384659100 /nfs/dbraw/zinc/65/91/00/384659100.db2.gz FZNSFNYWMDVNHF-LBPRGKRZSA-N 0 3 225.282 3.525 20 0 BHADHN Cc1ccsc1[C@@H](C)NC1CC(F)(F)C1 ZINC000277052737 388352297 /nfs/dbraw/zinc/35/22/97/388352297.db2.gz HFLQSFAUWYYUIF-MRVPVSSYSA-N 0 3 231.311 3.505 20 0 BHADHN Cc1ccsc1[C@H](C)NC1CC(F)(F)C1 ZINC000277052741 179554487 /nfs/dbraw/zinc/55/44/87/179554487.db2.gz HFLQSFAUWYYUIF-QMMMGPOBSA-N 0 3 231.311 3.505 20 0 BHADHN Cc1cc([C@@H](C)NC2CC(F)(F)C2)c(C)s1 ZINC000277059116 178221952 /nfs/dbraw/zinc/22/19/52/178221952.db2.gz HWPWXEQUOSTXDQ-MRVPVSSYSA-N 0 3 245.338 3.813 20 0 BHADHN Cc1cc([C@H](C)NC2CC(F)(F)C2)c(C)s1 ZINC000277059118 178245291 /nfs/dbraw/zinc/24/52/91/178245291.db2.gz HWPWXEQUOSTXDQ-QMMMGPOBSA-N 0 3 245.338 3.813 20 0 BHADHN CC[C@@H](NC1CC(F)(F)C1)c1cccc(F)c1 ZINC000277059177 411443656 /nfs/dbraw/zinc/44/36/56/411443656.db2.gz HXMDAYODNYLWBE-GFCCVEGCSA-N 0 3 243.272 3.664 20 0 BHADHN CC[C@H](NC1CC(F)(F)C1)c1cccc(F)c1 ZINC000277059180 411443295 /nfs/dbraw/zinc/44/32/95/411443295.db2.gz HXMDAYODNYLWBE-LBPRGKRZSA-N 0 3 243.272 3.664 20 0 BHADHN Cc1ccc([C@@H](C)NC2CC(F)(F)C2)cc1C ZINC000277081187 386405563 /nfs/dbraw/zinc/40/55/63/386405563.db2.gz JQGIRPZWRYNLOA-LLVKDONJSA-N 0 3 239.309 3.752 20 0 BHADHN Cc1ccc([C@H](C)NC2CC(F)(F)C2)cc1C ZINC000277081190 386405792 /nfs/dbraw/zinc/40/57/92/386405792.db2.gz JQGIRPZWRYNLOA-NSHDSACASA-N 0 3 239.309 3.752 20 0 BHADHN CC[C@@H](NC1CC(F)(F)C1)c1ccc(C)cc1 ZINC000277083380 386405219 /nfs/dbraw/zinc/40/52/19/386405219.db2.gz JXQYEANKLDCQPR-CYBMUJFWSA-N 0 3 239.309 3.833 20 0 BHADHN CC[C@H](NC1CC(F)(F)C1)c1ccc(C)cc1 ZINC000277083384 386406307 /nfs/dbraw/zinc/40/63/07/386406307.db2.gz JXQYEANKLDCQPR-ZDUSSCGKSA-N 0 3 239.309 3.833 20 0 BHADHN C[C@@H](NC1CC(F)(F)C1)c1ccc(Cl)cc1 ZINC000277099650 388352450 /nfs/dbraw/zinc/35/24/50/388352450.db2.gz LIQGXXWOBRDDKP-MRVPVSSYSA-N 0 3 245.700 3.788 20 0 BHADHN C[C@H](NC1CC(F)(F)C1)c1ccc(Cl)cc1 ZINC000277099651 176826748 /nfs/dbraw/zinc/82/67/48/176826748.db2.gz LIQGXXWOBRDDKP-QMMMGPOBSA-N 0 3 245.700 3.788 20 0 BHADHN Cc1cccc([C@@H](C)NC2CC(F)(F)C2)c1C ZINC000277114358 179180829 /nfs/dbraw/zinc/18/08/29/179180829.db2.gz MWZMFJXORBIMIZ-LLVKDONJSA-N 0 3 239.309 3.752 20 0 BHADHN Cc1cccc([C@H](C)NC2CC(F)(F)C2)c1C ZINC000277114366 179194153 /nfs/dbraw/zinc/19/41/53/179194153.db2.gz MWZMFJXORBIMIZ-NSHDSACASA-N 0 3 239.309 3.752 20 0 BHADHN Cc1ccc([C@@H](C)NC2CC(F)(F)C2)c(C)c1 ZINC000277123634 386409969 /nfs/dbraw/zinc/40/99/69/386409969.db2.gz NSKQSNNJNYMRBV-LLVKDONJSA-N 0 3 239.309 3.752 20 0 BHADHN Cc1ccc([C@H](C)NC2CC(F)(F)C2)c(C)c1 ZINC000277123637 386410508 /nfs/dbraw/zinc/41/05/08/386410508.db2.gz NSKQSNNJNYMRBV-NSHDSACASA-N 0 3 239.309 3.752 20 0 BHADHN CCC[C@@H](NC1CC(F)(F)C1)c1ccccc1 ZINC000277158482 386414244 /nfs/dbraw/zinc/41/42/44/386414244.db2.gz QUXVEOJDCWVHIR-CYBMUJFWSA-N 0 3 239.309 3.915 20 0 BHADHN CCC[C@H](NC1CC(F)(F)C1)c1ccccc1 ZINC000277158486 386412817 /nfs/dbraw/zinc/41/28/17/386412817.db2.gz QUXVEOJDCWVHIR-ZDUSSCGKSA-N 0 3 239.309 3.915 20 0 BHADHN CC(C)[C@@H](NC1CC(F)(F)C1)c1ccccc1 ZINC000277172322 167430809 /nfs/dbraw/zinc/43/08/09/167430809.db2.gz SCHIYAFOTZYUGD-CYBMUJFWSA-N 0 3 239.309 3.771 20 0 BHADHN CC(C)[C@H](NC1CC(F)(F)C1)c1ccccc1 ZINC000277172325 187339605 /nfs/dbraw/zinc/33/96/05/187339605.db2.gz SCHIYAFOTZYUGD-ZDUSSCGKSA-N 0 3 239.309 3.771 20 0 BHADHN CC[C@@H](NC1CC(F)(F)C1)c1ccccc1F ZINC000277172335 386413846 /nfs/dbraw/zinc/41/38/46/386413846.db2.gz SCLGKZMHUAMRKB-GFCCVEGCSA-N 0 3 243.272 3.664 20 0 BHADHN CC[C@H](NC1CC(F)(F)C1)c1ccccc1F ZINC000277172339 386413428 /nfs/dbraw/zinc/41/34/28/386413428.db2.gz SCLGKZMHUAMRKB-LBPRGKRZSA-N 0 3 243.272 3.664 20 0 BHADHN Cc1cc(C)cc([C@@H](C)NC2CC(F)(F)C2)c1 ZINC000277204100 386417383 /nfs/dbraw/zinc/41/73/83/386417383.db2.gz VXWFNQADWZXNKF-LLVKDONJSA-N 0 3 239.309 3.752 20 0 BHADHN Cc1cc(C)cc([C@H](C)NC2CC(F)(F)C2)c1 ZINC000277204105 386420088 /nfs/dbraw/zinc/42/00/88/386420088.db2.gz VXWFNQADWZXNKF-NSHDSACASA-N 0 3 239.309 3.752 20 0 BHADHN CCc1ccc([C@H](C)NC2CC(F)(F)C2)cc1 ZINC000277207962 386419425 /nfs/dbraw/zinc/41/94/25/386419425.db2.gz WHDXQTJKADXPLW-JTQLQIEISA-N 0 3 239.309 3.697 20 0 BHADHN CCc1ccc([C@@H](C)NC2CC(F)(F)C2)cc1 ZINC000277207966 386417821 /nfs/dbraw/zinc/41/78/21/386417821.db2.gz WHDXQTJKADXPLW-SNVBAGLBSA-N 0 3 239.309 3.697 20 0 BHADHN FC1(F)CC(N[C@H]2CCCc3sccc32)C1 ZINC000277221209 384757814 /nfs/dbraw/zinc/75/78/14/384757814.db2.gz XQMUDVWMBIITBI-JTQLQIEISA-N 0 3 243.322 3.513 20 0 BHADHN FC1(F)CC(N[C@@H]2CCCc3sccc32)C1 ZINC000277221213 384757250 /nfs/dbraw/zinc/75/72/50/384757250.db2.gz XQMUDVWMBIITBI-SNVBAGLBSA-N 0 3 243.322 3.513 20 0 BHADHN CCc1ccc([C@@H](C)NC2CC(F)(F)C2)s1 ZINC000277223194 388353598 /nfs/dbraw/zinc/35/35/98/388353598.db2.gz XXHQZIADDKYROM-MRVPVSSYSA-N 0 3 245.338 3.759 20 0 BHADHN CCc1ccc([C@H](C)NC2CC(F)(F)C2)s1 ZINC000277223197 388353308 /nfs/dbraw/zinc/35/33/08/388353308.db2.gz XXHQZIADDKYROM-QMMMGPOBSA-N 0 3 245.338 3.759 20 0 BHADHN CC[C@@H](NC1CC(F)(F)C1)c1ccc(F)cc1 ZINC000277232472 386419767 /nfs/dbraw/zinc/41/97/67/386419767.db2.gz YWPQLTVEGPWRTB-GFCCVEGCSA-N 0 3 243.272 3.664 20 0 BHADHN CC[C@H](NC1CC(F)(F)C1)c1ccc(F)cc1 ZINC000277232476 386418359 /nfs/dbraw/zinc/41/83/59/386418359.db2.gz YWPQLTVEGPWRTB-LBPRGKRZSA-N 0 3 243.272 3.664 20 0 BHADHN CCCc1cccc(CNC2CC(F)(F)C2)c1 ZINC000277361475 398028280 /nfs/dbraw/zinc/02/82/80/398028280.db2.gz AUFAPNPNBCKOHD-UHFFFAOYSA-N 0 3 239.309 3.526 20 0 BHADHN CC(C)c1ccc(CNC2CC(F)(F)C2)cc1 ZINC000277414793 386432986 /nfs/dbraw/zinc/43/29/86/386432986.db2.gz GEOAOZOSTZUODJ-UHFFFAOYSA-N 0 3 239.309 3.697 20 0 BHADHN Cc1cc(Cl)ccc1CNC1CC(F)(F)C1 ZINC000277656157 178066794 /nfs/dbraw/zinc/06/67/94/178066794.db2.gz NJWUDXSYKOVTOM-UHFFFAOYSA-N 0 3 245.700 3.536 20 0 BHADHN FC1(F)CC(NCc2ccc3ccccc3c2)C1 ZINC000277665384 386455858 /nfs/dbraw/zinc/45/58/58/386455858.db2.gz OLSCCOPCDNDTRN-UHFFFAOYSA-N 0 3 247.288 3.727 20 0 BHADHN FC1(F)CC(NCc2cccc3ccccc32)C1 ZINC000277742985 398032181 /nfs/dbraw/zinc/03/21/81/398032181.db2.gz VMCLABYYTOPHCE-UHFFFAOYSA-N 0 3 247.288 3.727 20 0 BHADHN FC(F)(F)C[C@H]1CCN(Cc2ccsc2)C1 ZINC000278128022 386491930 /nfs/dbraw/zinc/49/19/30/386491930.db2.gz BSHMYOZVMGNKBD-SECBINFHSA-N 0 3 249.301 3.522 20 0 BHADHN FC(F)(F)C[C@@H]1CCN(Cc2ccsc2)C1 ZINC000278128025 386492875 /nfs/dbraw/zinc/49/28/75/386492875.db2.gz BSHMYOZVMGNKBD-VIFPVBQESA-N 0 3 249.301 3.522 20 0 BHADHN c1cc([C@@H]2CCCN2C[C@@H]2CCC=CO2)cs1 ZINC000278178613 188381582 /nfs/dbraw/zinc/38/15/82/188381582.db2.gz GQCKVZBHGIKONU-KBPBESRZSA-N 0 3 249.379 3.578 20 0 BHADHN c1cc([C@@H]2CCCN2C[C@H]2CCC=CO2)cs1 ZINC000278178617 386496867 /nfs/dbraw/zinc/49/68/67/386496867.db2.gz GQCKVZBHGIKONU-KGLIPLIRSA-N 0 3 249.379 3.578 20 0 BHADHN c1cc([C@H]2CCCN2C[C@@H]2CCC=CO2)cs1 ZINC000278178620 188030579 /nfs/dbraw/zinc/03/05/79/188030579.db2.gz GQCKVZBHGIKONU-UONOGXRCSA-N 0 3 249.379 3.578 20 0 BHADHN c1cc([C@H]2CCCN2C[C@H]2CCC=CO2)cs1 ZINC000278178623 386498356 /nfs/dbraw/zinc/49/83/56/386498356.db2.gz GQCKVZBHGIKONU-ZIAGYGMSSA-N 0 3 249.379 3.578 20 0 BHADHN C[C@@H](NC1CCC2(CC2)CC1)c1ccc(F)cn1 ZINC000278837152 386594789 /nfs/dbraw/zinc/59/47/89/386594789.db2.gz UNCARHYWRFFDRL-LLVKDONJSA-N 0 3 248.345 3.594 20 0 BHADHN C[C@H](NC1CCC2(CC2)CC1)c1ccc(F)cn1 ZINC000278837158 386594216 /nfs/dbraw/zinc/59/42/16/386594216.db2.gz UNCARHYWRFFDRL-NSHDSACASA-N 0 3 248.345 3.594 20 0 BHADHN FC(F)(F)C[C@H]1CCN(Cc2cccs2)C1 ZINC000278927451 386605466 /nfs/dbraw/zinc/60/54/66/386605466.db2.gz XCABLJCPNPOPFD-SECBINFHSA-N 0 3 249.301 3.522 20 0 BHADHN FC(F)(F)C[C@@H]1CCN(Cc2cccs2)C1 ZINC000278927460 386605390 /nfs/dbraw/zinc/60/53/90/386605390.db2.gz XCABLJCPNPOPFD-VIFPVBQESA-N 0 3 249.301 3.522 20 0 BHADHN C[C@H]1CCCN1Cc1cccc(C(F)F)c1 ZINC000279696071 177110756 /nfs/dbraw/zinc/11/07/56/177110756.db2.gz IROBHOVOCRGPLI-JTQLQIEISA-N 0 3 225.282 3.609 20 0 BHADHN C[C@@H]1CCCN1Cc1cccc(C(F)F)c1 ZINC000279696073 176110127 /nfs/dbraw/zinc/11/01/27/176110127.db2.gz IROBHOVOCRGPLI-SNVBAGLBSA-N 0 3 225.282 3.609 20 0 BHADHN C[C@H](NCCC1(C)CC1)c1cccnc1Cl ZINC000280069679 385255316 /nfs/dbraw/zinc/25/53/16/385255316.db2.gz KXUSWMAGONXLHT-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCCC1(C)CC1)c1cccnc1Cl ZINC000280069682 188096158 /nfs/dbraw/zinc/09/61/58/188096158.db2.gz KXUSWMAGONXLHT-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN C[C@H](NCCC1(C)CC1)c1ccc(Cl)cn1 ZINC000280101589 385254747 /nfs/dbraw/zinc/25/47/47/385254747.db2.gz NDQIZVAEADCPPG-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCCC1(C)CC1)c1ccc(Cl)cn1 ZINC000280101592 175871517 /nfs/dbraw/zinc/87/15/17/175871517.db2.gz NDQIZVAEADCPPG-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN Cc1ccoc1CN[C@H]1C[C@H](c2ccccc2)C1 ZINC000280650504 386831631 /nfs/dbraw/zinc/83/16/31/386831631.db2.gz OCCJSTVGTHKJCR-SHTZXODSSA-N 0 3 241.334 3.624 20 0 BHADHN C[C@@H](N[C@H]1C[C@H](c2ccccc2)C1)c1ccco1 ZINC000280817270 385607450 /nfs/dbraw/zinc/60/74/50/385607450.db2.gz MVOZYJWFILKWDS-BPLDGKMQSA-N 0 3 241.334 3.876 20 0 BHADHN C[C@H](N[C@H]1C[C@H](c2ccccc2)C1)c1ccco1 ZINC000280817272 385606653 /nfs/dbraw/zinc/60/66/53/385606653.db2.gz MVOZYJWFILKWDS-QEJZJMRPSA-N 0 3 241.334 3.876 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CC=CCC2)oc1C ZINC000281965663 178258710 /nfs/dbraw/zinc/25/87/10/178258710.db2.gz BHKSLQGQRVHQMI-AAEUAGOBSA-N 0 3 219.328 3.656 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CC=CCC2)oc1C ZINC000281965665 178231612 /nfs/dbraw/zinc/23/16/12/178231612.db2.gz BHKSLQGQRVHQMI-DGCLKSJQSA-N 0 3 219.328 3.656 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CC=CCC2)oc1C ZINC000281965668 178254446 /nfs/dbraw/zinc/25/44/46/178254446.db2.gz BHKSLQGQRVHQMI-WCQYABFASA-N 0 3 219.328 3.656 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CC=CCC2)oc1C ZINC000281965671 178233131 /nfs/dbraw/zinc/23/31/31/178233131.db2.gz BHKSLQGQRVHQMI-YPMHNXCESA-N 0 3 219.328 3.656 20 0 BHADHN Cc1cc([C@@H](C)NCCCC(F)(F)F)oc1C ZINC000282080798 178224663 /nfs/dbraw/zinc/22/46/63/178224663.db2.gz HOWGJYIZMZTNDM-SECBINFHSA-N 0 3 249.276 3.890 20 0 BHADHN Cc1cc([C@H](C)NCCCC(F)(F)F)oc1C ZINC000282080801 178247324 /nfs/dbraw/zinc/24/73/24/178247324.db2.gz HOWGJYIZMZTNDM-VIFPVBQESA-N 0 3 249.276 3.890 20 0 BHADHN Cc1ccc(CNC[C@@H]2CCCC(F)(F)C2)o1 ZINC000282109941 385734958 /nfs/dbraw/zinc/73/49/58/385734958.db2.gz UAHUPMFPOJBPJY-LLVKDONJSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1ccc(CNC[C@H]2CCCC(F)(F)C2)o1 ZINC000282109947 386394635 /nfs/dbraw/zinc/39/46/35/386394635.db2.gz UAHUPMFPOJBPJY-NSHDSACASA-N 0 3 243.297 3.503 20 0 BHADHN CSc1ccccc1[C@@H](C)NCc1cc[nH]c1 ZINC000282156381 385737177 /nfs/dbraw/zinc/73/71/77/385737177.db2.gz XJBKINJGMGCGIX-LLVKDONJSA-N 0 3 246.379 3.587 20 0 BHADHN CSC(C)(C)CN[C@@H](C)c1cc(C)c(C)o1 ZINC000282388359 384265136 /nfs/dbraw/zinc/26/51/36/384265136.db2.gz XHNRDTCEYFVMIF-JTQLQIEISA-N 0 3 241.400 3.689 20 0 BHADHN CSC(C)(C)CN[C@H](C)c1cc(C)c(C)o1 ZINC000282388363 384265695 /nfs/dbraw/zinc/26/56/95/384265695.db2.gz XHNRDTCEYFVMIF-SNVBAGLBSA-N 0 3 241.400 3.689 20 0 BHADHN Cc1cc(Cl)nc(CN[C@@H](C)C(C)(C)C)c1 ZINC000282408578 178071644 /nfs/dbraw/zinc/07/16/44/178071644.db2.gz CEUQRUADOJKESN-JTQLQIEISA-N 0 3 240.778 3.568 20 0 BHADHN Cc1cc(Cl)nc(CN[C@H](C)C(C)(C)C)c1 ZINC000282410659 178071930 /nfs/dbraw/zinc/07/19/30/178071930.db2.gz CEUQRUADOJKESN-SNVBAGLBSA-N 0 3 240.778 3.568 20 0 BHADHN CC(C)SCCN[C@@H](C)c1ccsc1 ZINC000282482311 167331994 /nfs/dbraw/zinc/33/19/94/167331994.db2.gz LTBFMGNUFBBRKP-JTQLQIEISA-N 0 3 229.414 3.540 20 0 BHADHN CC(C)SCCN[C@H](C)c1ccsc1 ZINC000282482312 167331664 /nfs/dbraw/zinc/33/16/64/167331664.db2.gz LTBFMGNUFBBRKP-SNVBAGLBSA-N 0 3 229.414 3.540 20 0 BHADHN CSc1ccccc1[C@H](C)NCc1cc[nH]c1 ZINC000282510042 385768957 /nfs/dbraw/zinc/76/89/57/385768957.db2.gz XJBKINJGMGCGIX-NSHDSACASA-N 0 3 246.379 3.587 20 0 BHADHN C[C@@H](NC[C@@H]1CCCC(F)(F)C1)c1ccco1 ZINC000282773784 385785427 /nfs/dbraw/zinc/78/54/27/385785427.db2.gz PDLLQHHHPGBYFC-GHMZBOCLSA-N 0 3 243.297 3.756 20 0 BHADHN C[C@@H](NC[C@H]1CCCC(F)(F)C1)c1ccco1 ZINC000282773785 385784359 /nfs/dbraw/zinc/78/43/59/385784359.db2.gz PDLLQHHHPGBYFC-MNOVXSKESA-N 0 3 243.297 3.756 20 0 BHADHN C[C@H](NC[C@H]1CCCC(F)(F)C1)c1ccco1 ZINC000282773787 385784517 /nfs/dbraw/zinc/78/45/17/385784517.db2.gz PDLLQHHHPGBYFC-QWRGUYRKSA-N 0 3 243.297 3.756 20 0 BHADHN C[C@H](NC[C@@H]1CCCC(F)(F)C1)c1ccco1 ZINC000282773789 385784811 /nfs/dbraw/zinc/78/48/11/385784811.db2.gz PDLLQHHHPGBYFC-WDEREUQCSA-N 0 3 243.297 3.756 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@@H](C)c1cc(C)on1 ZINC000282889375 385795779 /nfs/dbraw/zinc/79/57/79/385795779.db2.gz WEBPYBXSHXUFFC-AAEUAGOBSA-N 0 3 236.359 3.769 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@H](C)c1cc(C)on1 ZINC000282889376 385795706 /nfs/dbraw/zinc/79/57/06/385795706.db2.gz WEBPYBXSHXUFFC-DGCLKSJQSA-N 0 3 236.359 3.769 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@H](C)c1cc(C)on1 ZINC000282889378 385795124 /nfs/dbraw/zinc/79/51/24/385795124.db2.gz WEBPYBXSHXUFFC-WCQYABFASA-N 0 3 236.359 3.769 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@@H](C)c1cc(C)on1 ZINC000282889380 188033424 /nfs/dbraw/zinc/03/34/24/188033424.db2.gz WEBPYBXSHXUFFC-YPMHNXCESA-N 0 3 236.359 3.769 20 0 BHADHN C[C@@H](NCc1ccco1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282956251 385800049 /nfs/dbraw/zinc/80/00/49/385800049.db2.gz CHAYJPUCRKXMGF-KCXAZCMYSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@H](NCc1ccco1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282956253 385799512 /nfs/dbraw/zinc/79/95/12/385799512.db2.gz CHAYJPUCRKXMGF-RCBQFDQVSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@H](NCCCCCF)c1cccc(F)c1F ZINC000283953193 385841582 /nfs/dbraw/zinc/84/15/82/385841582.db2.gz DPWJWVIUJNCHLS-JTQLQIEISA-N 0 3 245.288 3.755 20 0 BHADHN C[C@@H](NCCCCCF)c1cccc(F)c1F ZINC000283953197 385841665 /nfs/dbraw/zinc/84/16/65/385841665.db2.gz DPWJWVIUJNCHLS-SNVBAGLBSA-N 0 3 245.288 3.755 20 0 BHADHN C[C@H](NCCCCCF)c1ccc(F)cc1F ZINC000283982946 385845258 /nfs/dbraw/zinc/84/52/58/385845258.db2.gz FXBINMGKBYXPHF-JTQLQIEISA-N 0 3 245.288 3.755 20 0 BHADHN C[C@@H](NCCCCCF)c1ccc(F)cc1F ZINC000283982950 385845724 /nfs/dbraw/zinc/84/57/24/385845724.db2.gz FXBINMGKBYXPHF-SNVBAGLBSA-N 0 3 245.288 3.755 20 0 BHADHN C[C@H](N[C@@H]1C=CCCCCC1)c1cccnc1 ZINC000284122190 387152087 /nfs/dbraw/zinc/15/20/87/387152087.db2.gz UHALIEPSMFALQK-DZGCQCFKSA-N 0 3 230.355 3.621 20 0 BHADHN C[C@@H](N[C@H]1C=CCCCCC1)c1cccnc1 ZINC000284122192 387151332 /nfs/dbraw/zinc/15/13/32/387151332.db2.gz UHALIEPSMFALQK-HIFRSBDPSA-N 0 3 230.355 3.621 20 0 BHADHN C[C@@H](N[C@@H]1C=CCCCCC1)c1cccnc1 ZINC000284122195 387150825 /nfs/dbraw/zinc/15/08/25/387150825.db2.gz UHALIEPSMFALQK-UKRRQHHQSA-N 0 3 230.355 3.621 20 0 BHADHN C[C@H](N[C@H]1C=CCCCCC1)c1cccnc1 ZINC000284122199 387150892 /nfs/dbraw/zinc/15/08/92/387150892.db2.gz UHALIEPSMFALQK-ZFWWWQNUSA-N 0 3 230.355 3.621 20 0 BHADHN C[C@H](c1ccco1)N(CCCCCF)C1CC1 ZINC000284196483 177047343 /nfs/dbraw/zinc/04/73/43/177047343.db2.gz SECLRVAXLWMVKU-GFCCVEGCSA-N 0 3 239.334 3.945 20 0 BHADHN C[C@@H](c1ccco1)N(CCCCCF)C1CC1 ZINC000284196485 176031353 /nfs/dbraw/zinc/03/13/53/176031353.db2.gz SECLRVAXLWMVKU-LBPRGKRZSA-N 0 3 239.334 3.945 20 0 BHADHN C[C@H](NCCCCCF)c1c(F)cccc1F ZINC000284221803 385857934 /nfs/dbraw/zinc/85/79/34/385857934.db2.gz UMBHUCOATSQJLF-JTQLQIEISA-N 0 3 245.288 3.755 20 0 BHADHN C[C@@H](NCCCCCF)c1c(F)cccc1F ZINC000284221805 385858000 /nfs/dbraw/zinc/85/80/00/385858000.db2.gz UMBHUCOATSQJLF-SNVBAGLBSA-N 0 3 245.288 3.755 20 0 BHADHN CC1=CC[C@@H](NCc2nc(C3CC3)cs2)CC1 ZINC000284872708 168118831 /nfs/dbraw/zinc/11/88/31/168118831.db2.gz BBGLILLFNHCEIM-GFCCVEGCSA-N 0 3 248.395 3.609 20 0 BHADHN CC1=CC[C@H](NCc2nc(C3CC3)cs2)CC1 ZINC000284872710 168120456 /nfs/dbraw/zinc/12/04/56/168120456.db2.gz BBGLILLFNHCEIM-LBPRGKRZSA-N 0 3 248.395 3.609 20 0 BHADHN CN(CCCCF)Cc1ccc(Cl)s1 ZINC000285098131 385899573 /nfs/dbraw/zinc/89/95/73/385899573.db2.gz GZHBDXRLJDPCGN-UHFFFAOYSA-N 0 3 235.755 3.583 20 0 BHADHN c1coc(C2=CCCN(Cc3cccs3)C2)c1 ZINC000285199793 385905432 /nfs/dbraw/zinc/90/54/32/385905432.db2.gz CXMPEAKICVFOBS-UHFFFAOYSA-N 0 3 245.347 3.630 20 0 BHADHN FCCCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000285338895 385915423 /nfs/dbraw/zinc/91/54/23/385915423.db2.gz YEVNPORPOSYFCX-AWEZNQCLSA-N 0 3 239.309 3.712 20 0 BHADHN FCCCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000285338896 385916154 /nfs/dbraw/zinc/91/61/54/385916154.db2.gz YEVNPORPOSYFCX-CQSZACIVSA-N 0 3 239.309 3.712 20 0 BHADHN C[C@@H](c1cc(F)ccc1F)N(C)CCCCF ZINC000285363973 176013490 /nfs/dbraw/zinc/01/34/90/176013490.db2.gz AKGISBXFOCCTSU-JTQLQIEISA-N 0 3 245.288 3.707 20 0 BHADHN C[C@H](c1cc(F)ccc1F)N(C)CCCCF ZINC000285363984 177032258 /nfs/dbraw/zinc/03/22/58/177032258.db2.gz AKGISBXFOCCTSU-SNVBAGLBSA-N 0 3 245.288 3.707 20 0 BHADHN FCCCCCN1CCC=C(c2ccco2)C1 ZINC000285433093 370687738 /nfs/dbraw/zinc/68/77/38/370687738.db2.gz WWFXKDANMDMCSD-UHFFFAOYSA-N 0 3 237.318 3.509 20 0 BHADHN C[C@H](c1ccco1)N(CCCCF)C1CC1 ZINC000285483664 177047445 /nfs/dbraw/zinc/04/74/45/177047445.db2.gz CVRQLAKLMDGMGF-LLVKDONJSA-N 0 3 225.307 3.555 20 0 BHADHN C[C@@H](c1ccco1)N(CCCCF)C1CC1 ZINC000285483666 176031797 /nfs/dbraw/zinc/03/17/97/176031797.db2.gz CVRQLAKLMDGMGF-NSHDSACASA-N 0 3 225.307 3.555 20 0 BHADHN C[C@H](NCCCCF)c1ccccc1Cl ZINC000285485523 387268843 /nfs/dbraw/zinc/26/88/43/387268843.db2.gz DAVVOXPOAWRBHZ-JTQLQIEISA-N 0 3 229.726 3.740 20 0 BHADHN CC[C@H](NCc1cccnc1)c1cccc(C)c1 ZINC000285505264 387271720 /nfs/dbraw/zinc/27/17/20/387271720.db2.gz CYUJXBTWXFXFNV-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1cccnc1)c1cccc(C)c1 ZINC000285507161 387270974 /nfs/dbraw/zinc/27/09/74/387270974.db2.gz CYUJXBTWXFXFNV-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN CCC[C@@H](CC)N[C@H](C)c1c(F)cncc1F ZINC000285511136 169380763 /nfs/dbraw/zinc/38/07/63/169380763.db2.gz BCGLLHQZDVHKMN-NXEZZACHSA-N 0 3 242.313 3.589 20 0 BHADHN CCC[C@H](CC)N[C@@H](C)c1c(F)cncc1F ZINC000285511139 187345098 /nfs/dbraw/zinc/34/50/98/187345098.db2.gz BCGLLHQZDVHKMN-UWVGGRQHSA-N 0 3 242.313 3.589 20 0 BHADHN CCC[C@@H](CC)N[C@@H](C)c1c(F)cncc1F ZINC000285511142 169379729 /nfs/dbraw/zinc/37/97/29/169379729.db2.gz BCGLLHQZDVHKMN-VHSXEESVSA-N 0 3 242.313 3.589 20 0 BHADHN CCC[C@H](CC)N[C@H](C)c1c(F)cncc1F ZINC000285511143 187345469 /nfs/dbraw/zinc/34/54/69/187345469.db2.gz BCGLLHQZDVHKMN-ZJUUUORDSA-N 0 3 242.313 3.589 20 0 BHADHN CC[C@@H](NCCCCF)c1ccc(F)cc1F ZINC000285524110 385937738 /nfs/dbraw/zinc/93/77/38/385937738.db2.gz GNMGEDNMZGBLRM-CYBMUJFWSA-N 0 3 245.288 3.755 20 0 BHADHN CC[C@H](NCCCCF)c1ccc(F)cc1F ZINC000285524112 385935850 /nfs/dbraw/zinc/93/58/50/385935850.db2.gz GNMGEDNMZGBLRM-ZDUSSCGKSA-N 0 3 245.288 3.755 20 0 BHADHN CC[C@@H](NCCCCF)c1cc(F)ccc1F ZINC000285617222 385950404 /nfs/dbraw/zinc/95/04/04/385950404.db2.gz MNNTWDGYGPZAHO-CYBMUJFWSA-N 0 3 245.288 3.755 20 0 BHADHN CC[C@H](NCCCCF)c1cc(F)ccc1F ZINC000285617231 385948997 /nfs/dbraw/zinc/94/89/97/385948997.db2.gz MNNTWDGYGPZAHO-ZDUSSCGKSA-N 0 3 245.288 3.755 20 0 BHADHN CCCCCCN[C@H](C)c1cc(C)ccn1 ZINC000285751440 387283946 /nfs/dbraw/zinc/28/39/46/387283946.db2.gz RPNAKZVIIYHXPB-CYBMUJFWSA-N 0 3 220.360 3.621 20 0 BHADHN CCCCCCN[C@@H](C)c1cc(C)ccn1 ZINC000285751445 387283018 /nfs/dbraw/zinc/28/30/18/387283018.db2.gz RPNAKZVIIYHXPB-ZDUSSCGKSA-N 0 3 220.360 3.621 20 0 BHADHN Cc1cc(CN[C@@H]2CCc3ccccc32)cs1 ZINC000285770514 178035566 /nfs/dbraw/zinc/03/55/66/178035566.db2.gz DYRGRHBWUJXUHS-OAHLLOKOSA-N 0 3 243.375 3.834 20 0 BHADHN Cc1ccc(CNCc2csc(C)c2)s1 ZINC000285777865 178027386 /nfs/dbraw/zinc/02/73/86/178027386.db2.gz FLNGORMWLQBQQC-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN Cc1cc(CNCc2sccc2C)cs1 ZINC000285843476 178029646 /nfs/dbraw/zinc/02/96/46/178029646.db2.gz JHQZQYQPTZYAOJ-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN Cc1cc(CNCc2ccccc2C)cs1 ZINC000285869764 178026369 /nfs/dbraw/zinc/02/63/69/178026369.db2.gz KUVHTWBFDZFBDH-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1ccnc([C@@H](C)NCCC2CCCC2)c1 ZINC000285876833 179465486 /nfs/dbraw/zinc/46/54/86/179465486.db2.gz ZFLJTADBLFTPDV-CYBMUJFWSA-N 0 3 232.371 3.621 20 0 BHADHN Cc1ccnc([C@H](C)NCCC2CCCC2)c1 ZINC000285876839 385971764 /nfs/dbraw/zinc/97/17/64/385971764.db2.gz ZFLJTADBLFTPDV-ZDUSSCGKSA-N 0 3 232.371 3.621 20 0 BHADHN C[C@H](c1ccccc1F)N(C)CCCCF ZINC000285883975 177041471 /nfs/dbraw/zinc/04/14/71/177041471.db2.gz FUICZBZXUOFDLR-LLVKDONJSA-N 0 3 227.298 3.568 20 0 BHADHN C[C@@H](c1ccccc1F)N(C)CCCCF ZINC000285883984 176024636 /nfs/dbraw/zinc/02/46/36/176024636.db2.gz FUICZBZXUOFDLR-NSHDSACASA-N 0 3 227.298 3.568 20 0 BHADHN Cc1ccnc([C@@H](C)Nc2cc(C)cc(C)n2)c1 ZINC000285974937 385983157 /nfs/dbraw/zinc/98/31/57/385983157.db2.gz GFTZAKXPDYBSPV-CYBMUJFWSA-N 0 3 241.338 3.575 20 0 BHADHN Cc1ccnc([C@H](C)Nc2cc(C)cc(C)n2)c1 ZINC000285974941 385982971 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KJPZDQQZOVQAKP-ZDUSSCGKSA-N 0 3 232.371 3.621 20 0 BHADHN Cc1cc(CNCc2ccc(C)cc2)cs1 ZINC000286055684 387312329 /nfs/dbraw/zinc/31/23/29/387312329.db2.gz XJFKIIFAEALLQM-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1ccnc([C@@H](C)NCCC2=CCCC2)c1 ZINC000286140024 385999130 /nfs/dbraw/zinc/99/91/30/385999130.db2.gz OJHHJJPOWWUBGH-CYBMUJFWSA-N 0 3 230.355 3.541 20 0 BHADHN Cc1ccnc([C@H](C)NCCC2=CCCC2)c1 ZINC000286140028 386001164 /nfs/dbraw/zinc/00/11/64/386001164.db2.gz OJHHJJPOWWUBGH-ZDUSSCGKSA-N 0 3 230.355 3.541 20 0 BHADHN CC[C@H](NCc1ccn(C)c1)c1cccc(C)c1 ZINC000286195812 386005369 /nfs/dbraw/zinc/00/53/69/386005369.db2.gz RMJCYPJWLAUCBT-INIZCTEOSA-N 0 3 242.366 3.574 20 0 BHADHN CC[C@@H](NCc1ccn(C)c1)c1cccc(C)c1 ZINC000286195816 352080065 /nfs/dbraw/zinc/08/00/65/352080065.db2.gz RMJCYPJWLAUCBT-MRXNPFEDSA-N 0 3 242.366 3.574 20 0 BHADHN C[C@@H](NCCCCF)c1ccccc1Cl ZINC000286253329 387318682 /nfs/dbraw/zinc/31/86/82/387318682.db2.gz DAVVOXPOAWRBHZ-SNVBAGLBSA-N 0 3 229.726 3.740 20 0 BHADHN 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/nfs/dbraw/zinc/32/30/51/386323051.db2.gz WINVDMBQMSFOCL-JTQLQIEISA-N 0 3 235.277 3.599 20 0 BHADHN C[C@@H](NCCF)c1ccc(F)c2ccccc21 ZINC000289534325 386324117 /nfs/dbraw/zinc/32/41/17/386324117.db2.gz WINVDMBQMSFOCL-SNVBAGLBSA-N 0 3 235.277 3.599 20 0 BHADHN c1coc(C2=CCCN(Cc3ccsc3)C2)c1 ZINC000289605340 188036333 /nfs/dbraw/zinc/03/63/33/188036333.db2.gz VKZLXBZFAJXAOO-UHFFFAOYSA-N 0 3 245.347 3.630 20 0 BHADHN C[C@@H](c1ccccc1)N1CCC(F)(F)[C@H](C)C1 ZINC000289802750 176020723 /nfs/dbraw/zinc/02/07/23/176020723.db2.gz MZWKWBQBUCNVDF-NEPJUHHUSA-N 0 3 239.309 3.725 20 0 BHADHN C[C@H](c1ccccc1)N1CCC(F)(F)[C@@H](C)C1 ZINC000289802753 177274775 /nfs/dbraw/zinc/27/47/75/177274775.db2.gz MZWKWBQBUCNVDF-NWDGAFQWSA-N 0 3 239.309 3.725 20 0 BHADHN C[C@@H](c1ccccc1)N1CCC(F)(F)[C@@H](C)C1 ZINC000289802755 176021005 /nfs/dbraw/zinc/02/10/05/176021005.db2.gz MZWKWBQBUCNVDF-RYUDHWBXSA-N 0 3 239.309 3.725 20 0 BHADHN C[C@H](c1ccccc1)N1CCC(F)(F)[C@H](C)C1 ZINC000289802759 177038640 /nfs/dbraw/zinc/03/86/40/177038640.db2.gz MZWKWBQBUCNVDF-VXGBXAGGSA-N 0 3 239.309 3.725 20 0 BHADHN CC(C)=CCN[C@H](C)c1nccc2ccccc21 ZINC000290035690 188211129 /nfs/dbraw/zinc/21/11/29/188211129.db2.gz BDQCEAYOMFZQOW-CYBMUJFWSA-N 0 3 240.350 3.852 20 0 BHADHN CC(C)=CCN[C@@H](C)c1nccc2ccccc21 ZINC000290035694 187348700 /nfs/dbraw/zinc/34/87/00/187348700.db2.gz BDQCEAYOMFZQOW-ZDUSSCGKSA-N 0 3 240.350 3.852 20 0 BHADHN CCC(CC)(CC)NCc1csc(Cl)n1 ZINC000290058011 168317576 /nfs/dbraw/zinc/31/75/76/168317576.db2.gz PDAHZJKFOSKDMG-UHFFFAOYSA-N 0 3 246.807 3.855 20 0 BHADHN C[C@H](CF)NC1CC(c2ccc(Cl)cc2)C1 ZINC000290238154 388768075 /nfs/dbraw/zinc/76/80/75/388768075.db2.gz UJKYDJQBSCLYEB-CBZQXFMTSA-N 0 3 241.737 3.534 20 0 BHADHN C[C@@H](CF)NC1CC(c2ccc(Cl)cc2)C1 ZINC000290238158 175693490 /nfs/dbraw/zinc/69/34/90/175693490.db2.gz UJKYDJQBSCLYEB-FJJSSXBZSA-N 0 3 241.737 3.534 20 0 BHADHN C[C@@H]1C[C@@H](NC2CC(F)(F)C2)c2ccccc21 ZINC000290249514 386412745 /nfs/dbraw/zinc/41/27/45/386412745.db2.gz JUVNENUQVMGYIF-NOZJJQNGSA-N 0 3 237.293 3.622 20 0 BHADHN C[C@@H]1C[C@H](NC2CC(F)(F)C2)c2ccccc21 ZINC000290249516 386412455 /nfs/dbraw/zinc/41/24/55/386412455.db2.gz JUVNENUQVMGYIF-RNCFNFMXSA-N 0 3 237.293 3.622 20 0 BHADHN C[C@H]1C[C@@H](NC2CC(F)(F)C2)c2ccccc21 ZINC000290249518 177330590 /nfs/dbraw/zinc/33/05/90/177330590.db2.gz JUVNENUQVMGYIF-TVQRCGJNSA-N 0 3 237.293 3.622 20 0 BHADHN C[C@H]1C[C@H](NC2CC(F)(F)C2)c2ccccc21 ZINC000290249520 177368810 /nfs/dbraw/zinc/36/88/10/177368810.db2.gz JUVNENUQVMGYIF-ZANVPECISA-N 0 3 237.293 3.622 20 0 BHADHN CC[C@@H](CN[C@@H](C)c1cc2ccccc2o1)OC ZINC000290277176 384490711 /nfs/dbraw/zinc/49/07/11/384490711.db2.gz WUBSJOVPBCSYOD-AAEUAGOBSA-N 0 3 247.338 3.508 20 0 BHADHN CC[C@H](CN[C@H](C)c1cc2ccccc2o1)OC ZINC000290277178 384490401 /nfs/dbraw/zinc/49/04/01/384490401.db2.gz WUBSJOVPBCSYOD-DGCLKSJQSA-N 0 3 247.338 3.508 20 0 BHADHN CC[C@H](CN[C@@H](C)c1cc2ccccc2o1)OC ZINC000290277181 384491768 /nfs/dbraw/zinc/49/17/68/384491768.db2.gz WUBSJOVPBCSYOD-WCQYABFASA-N 0 3 247.338 3.508 20 0 BHADHN CC[C@@H](CN[C@H](C)c1cc2ccccc2o1)OC ZINC000290277184 384490002 /nfs/dbraw/zinc/49/00/02/384490002.db2.gz WUBSJOVPBCSYOD-YPMHNXCESA-N 0 3 247.338 3.508 20 0 BHADHN CSC1(CN(C)[C@H](C)c2ccco2)CCC1 ZINC000290521831 386447455 /nfs/dbraw/zinc/44/74/55/386447455.db2.gz USDWCVORUGYGTH-LLVKDONJSA-N 0 3 239.384 3.558 20 0 BHADHN CSC1(CN(C)[C@@H](C)c2ccco2)CCC1 ZINC000290521833 386445258 /nfs/dbraw/zinc/44/52/58/386445258.db2.gz USDWCVORUGYGTH-NSHDSACASA-N 0 3 239.384 3.558 20 0 BHADHN C[C@@H](N[C@@H]1CC1(C)C)c1nccc2ccccc21 ZINC000290723053 386470420 /nfs/dbraw/zinc/47/04/20/386470420.db2.gz OSXYQKOYKOBAFP-BXUZGUMPSA-N 0 3 240.350 3.684 20 0 BHADHN C[C@H](N[C@H]1CC1(C)C)c1nccc2ccccc21 ZINC000290723055 386471231 /nfs/dbraw/zinc/47/12/31/386471231.db2.gz OSXYQKOYKOBAFP-FZMZJTMJSA-N 0 3 240.350 3.684 20 0 BHADHN C[C@@H](N[C@H]1CC1(C)C)c1nccc2ccccc21 ZINC000290723056 386469681 /nfs/dbraw/zinc/46/96/81/386469681.db2.gz OSXYQKOYKOBAFP-RISCZKNCSA-N 0 3 240.350 3.684 20 0 BHADHN C[C@H](N[C@@H]1CC1(C)C)c1nccc2ccccc21 ZINC000290723059 386469348 /nfs/dbraw/zinc/46/93/48/386469348.db2.gz OSXYQKOYKOBAFP-SMDDNHRTSA-N 0 3 240.350 3.684 20 0 BHADHN CCC(C)(C)NCc1ccnc(Cl)c1Cl ZINC000290781244 168298996 /nfs/dbraw/zinc/29/89/96/168298996.db2.gz CFKDBEHEGMALIQ-UHFFFAOYSA-N 0 3 247.169 3.667 20 0 BHADHN CCC(CC)NCc1ccnc(Cl)c1Cl ZINC000290884992 168389214 /nfs/dbraw/zinc/38/92/14/168389214.db2.gz MJZJXRZZNXQRJO-UHFFFAOYSA-N 0 3 247.169 3.667 20 0 BHADHN CC(C)CCNCc1ccnc(Cl)c1Cl ZINC000290902879 384947714 /nfs/dbraw/zinc/94/77/14/384947714.db2.gz OEDNAIVCKLCRHV-UHFFFAOYSA-N 0 3 247.169 3.524 20 0 BHADHN CC(C)(C)CNCc1ccnc(Cl)c1Cl ZINC000290910629 384949000 /nfs/dbraw/zinc/94/90/00/384949000.db2.gz PELSNGIYVKZEGT-UHFFFAOYSA-N 0 3 247.169 3.524 20 0 BHADHN c1cc(CN2CC3(CCC3)[C@H]2C2CC2)cs1 ZINC000291003693 183340765 /nfs/dbraw/zinc/34/07/65/183340765.db2.gz BBWNCCSIAOUOMW-CYBMUJFWSA-N 0 3 233.380 3.513 20 0 BHADHN c1cc(CN2CC3(CCC3)[C@@H]2C2CC2)cs1 ZINC000291003695 183339437 /nfs/dbraw/zinc/33/94/37/183339437.db2.gz BBWNCCSIAOUOMW-ZDUSSCGKSA-N 0 3 233.380 3.513 20 0 BHADHN CCN(Cc1cnc(Cl)s1)CC(C)(C)C ZINC000291342289 346368632 /nfs/dbraw/zinc/36/86/32/346368632.db2.gz WXHSCWKJNBQKPO-UHFFFAOYSA-N 0 3 246.807 3.665 20 0 BHADHN Cc1ccc(CN2CCC(F)(F)[C@H](C)C2)s1 ZINC000291497212 386553118 /nfs/dbraw/zinc/55/31/18/386553118.db2.gz HDGABEKYPBKIAE-SECBINFHSA-N 0 3 245.338 3.534 20 0 BHADHN Cc1ccc(CN2CCC(F)(F)[C@@H](C)C2)s1 ZINC000291497216 386552188 /nfs/dbraw/zinc/55/21/88/386552188.db2.gz HDGABEKYPBKIAE-VIFPVBQESA-N 0 3 245.338 3.534 20 0 BHADHN Cc1ccsc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000291626575 386559871 /nfs/dbraw/zinc/55/98/71/386559871.db2.gz SAFJFESRFFDLBK-JTQLQIEISA-N 0 3 245.338 3.534 20 0 BHADHN Cc1ccsc1CN1CCC(F)(F)[C@H](C)C1 ZINC000291626584 386561613 /nfs/dbraw/zinc/56/16/13/386561613.db2.gz SAFJFESRFFDLBK-SNVBAGLBSA-N 0 3 245.338 3.534 20 0 BHADHN c1csc(CN2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000291629464 386561225 /nfs/dbraw/zinc/56/12/25/386561225.db2.gz SHEZYFCECNAOLW-CYBMUJFWSA-N 0 3 233.380 3.513 20 0 BHADHN c1csc(CN2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000291629465 386559840 /nfs/dbraw/zinc/55/98/40/386559840.db2.gz SHEZYFCECNAOLW-ZDUSSCGKSA-N 0 3 233.380 3.513 20 0 BHADHN FC1(F)CC(CNc2ccnc3ccccc32)C1 ZINC000291952911 385946737 /nfs/dbraw/zinc/94/67/37/385946737.db2.gz UPOKLYYGXJTGOT-UHFFFAOYSA-N 0 3 248.276 3.692 20 0 BHADHN CC(C)N(Cc1ccno1)[C@H](C)c1ccccc1 ZINC000292113872 188212352 /nfs/dbraw/zinc/21/23/52/188212352.db2.gz HKOPDKFMXVACNI-CYBMUJFWSA-N 0 3 244.338 3.646 20 0 BHADHN CC(C)N(Cc1ccno1)[C@@H](C)c1ccccc1 ZINC000292113873 386621416 /nfs/dbraw/zinc/62/14/16/386621416.db2.gz HKOPDKFMXVACNI-ZDUSSCGKSA-N 0 3 244.338 3.646 20 0 BHADHN Cc1ccoc1CN(C)CCCCC(F)(F)F ZINC000292133153 386623318 /nfs/dbraw/zinc/62/33/18/386623318.db2.gz IPSOMZMWCJDACZ-UHFFFAOYSA-N 0 3 249.276 3.752 20 0 BHADHN CC[C@H]1CCN1Cc1cc(C)nc2ccccc12 ZINC000292333311 386652227 /nfs/dbraw/zinc/65/22/27/386652227.db2.gz GGFMEWANIKKVRJ-AWEZNQCLSA-N 0 3 240.350 3.528 20 0 BHADHN CC[C@@H]1CCN1Cc1cc(C)nc2ccccc12 ZINC000292333317 171024169 /nfs/dbraw/zinc/02/41/69/171024169.db2.gz GGFMEWANIKKVRJ-CQSZACIVSA-N 0 3 240.350 3.528 20 0 BHADHN CC[C@H](C)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000292681889 171279108 /nfs/dbraw/zinc/27/91/08/171279108.db2.gz ASCAPRVQMKHTBR-GXTWGEPZSA-N 0 3 232.371 3.511 20 0 BHADHN CC[C@H](C)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000292681892 171279720 /nfs/dbraw/zinc/27/97/20/171279720.db2.gz ASCAPRVQMKHTBR-JSGCOSHPSA-N 0 3 232.371 3.511 20 0 BHADHN CC[C@@H](C)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000292681893 386709633 /nfs/dbraw/zinc/70/96/33/386709633.db2.gz ASCAPRVQMKHTBR-OCCSQVGLSA-N 0 3 232.371 3.511 20 0 BHADHN CC[C@@H](C)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000292681895 386710681 /nfs/dbraw/zinc/71/06/81/386710681.db2.gz ASCAPRVQMKHTBR-TZMCWYRMSA-N 0 3 232.371 3.511 20 0 BHADHN CC(C)CCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000292767130 386721982 /nfs/dbraw/zinc/72/19/82/386721982.db2.gz JYHPXQLIXHTDAR-AWEZNQCLSA-N 0 3 232.371 3.511 20 0 BHADHN CC(C)CCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000292767134 386722206 /nfs/dbraw/zinc/72/22/06/386722206.db2.gz JYHPXQLIXHTDAR-CQSZACIVSA-N 0 3 232.371 3.511 20 0 BHADHN CC[C@H]1CCN1Cc1ccc2nc(C)ccc2c1 ZINC000292811465 398109184 /nfs/dbraw/zinc/10/91/84/398109184.db2.gz OTAVBEZUGMSFQS-HNNXBMFYSA-N 0 3 240.350 3.528 20 0 BHADHN CC[C@@H]1CCN1Cc1ccc2nc(C)ccc2c1 ZINC000292811468 171024859 /nfs/dbraw/zinc/02/48/59/171024859.db2.gz OTAVBEZUGMSFQS-OAHLLOKOSA-N 0 3 240.350 3.528 20 0 BHADHN Cc1ccccc1C(C)(C)NCCC(F)(F)F ZINC000293010723 179253965 /nfs/dbraw/zinc/25/39/65/179253965.db2.gz PSCJSIHQQGRWGQ-UHFFFAOYSA-N 0 3 245.288 3.772 20 0 BHADHN CC(C)C1(NCc2nc3ccccc3s2)CC1 ZINC000293052887 387851068 /nfs/dbraw/zinc/85/10/68/387851068.db2.gz RSJQXFYXCKEZMO-UHFFFAOYSA-N 0 3 246.379 3.575 20 0 BHADHN Cc1cc([C@@H](C)NCC2CC(F)(F)C2)oc1C ZINC000293242364 178222759 /nfs/dbraw/zinc/22/27/59/178222759.db2.gz BIDUJNZLEMWSEC-SECBINFHSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@H](C)NCC2CC(F)(F)C2)oc1C ZINC000293242377 178247049 /nfs/dbraw/zinc/24/70/49/178247049.db2.gz BIDUJNZLEMWSEC-VIFPVBQESA-N 0 3 243.297 3.592 20 0 BHADHN Cc1ccsc1CNCc1ccsc1C ZINC000293548771 388389522 /nfs/dbraw/zinc/38/95/22/388389522.db2.gz KVQYVVPRBIIJIV-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN CC[C@H](NCc1ccsc1C)c1ccncc1 ZINC000293569265 386840999 /nfs/dbraw/zinc/84/09/99/386840999.db2.gz MWCQYUVVMUYPDB-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1ccsc1C)c1ccncc1 ZINC000293569270 352355076 /nfs/dbraw/zinc/35/50/76/352355076.db2.gz MWCQYUVVMUYPDB-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN Cc1ccoc1CNC1CCC(C(F)F)CC1 ZINC000293690360 386861988 /nfs/dbraw/zinc/86/19/88/386861988.db2.gz NSBDAOJCDLZOPE-UHFFFAOYSA-N 0 3 243.297 3.502 20 0 BHADHN Cc1sccc1CNC1(c2ccccc2)CC1 ZINC000293705952 386863777 /nfs/dbraw/zinc/86/37/77/386863777.db2.gz XLAPTJHKVBHTQD-UHFFFAOYSA-N 0 3 243.375 3.835 20 0 BHADHN Cc1sccc1CN[C@H](C)c1ccccc1 ZINC000293710030 388403852 /nfs/dbraw/zinc/40/38/52/388403852.db2.gz XRRKNLRCCHUQHG-LLVKDONJSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1sccc1CN[C@@H](C)c1ccccc1 ZINC000293710044 388403358 /nfs/dbraw/zinc/40/33/58/388403358.db2.gz XRRKNLRCCHUQHG-NSHDSACASA-N 0 3 231.364 3.907 20 0 BHADHN CC(C)C1(N[C@@H](C)c2cccnc2Cl)CC1 ZINC000293744992 398039532 /nfs/dbraw/zinc/03/95/32/398039532.db2.gz PSODZQCIQWJHGX-JTQLQIEISA-N 0 3 238.762 3.574 20 0 BHADHN CC(C)C1(N[C@H](C)c2cccnc2Cl)CC1 ZINC000293744995 398039290 /nfs/dbraw/zinc/03/92/90/398039290.db2.gz PSODZQCIQWJHGX-SNVBAGLBSA-N 0 3 238.762 3.574 20 0 BHADHN CC(C)C1(N[C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000293746389 384418624 /nfs/dbraw/zinc/41/86/24/384418624.db2.gz PVKACULAVWPGPX-JTQLQIEISA-N 0 3 238.762 3.574 20 0 BHADHN CC(C)C1(N[C@H](C)c2ccc(Cl)cn2)CC1 ZINC000293746390 384417659 /nfs/dbraw/zinc/41/76/59/384417659.db2.gz PVKACULAVWPGPX-SNVBAGLBSA-N 0 3 238.762 3.574 20 0 BHADHN CCc1ccc([C@@H](C)NCC2CC(F)(F)C2)o1 ZINC000293767740 386873576 /nfs/dbraw/zinc/87/35/76/386873576.db2.gz SMGPPJTUGXPREP-SECBINFHSA-N 0 3 243.297 3.538 20 0 BHADHN CCc1ccc([C@H](C)NCC2CC(F)(F)C2)o1 ZINC000293767747 386875079 /nfs/dbraw/zinc/87/50/79/386875079.db2.gz SMGPPJTUGXPREP-VIFPVBQESA-N 0 3 243.297 3.538 20 0 BHADHN CC(C)CCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000293808482 386882302 /nfs/dbraw/zinc/88/23/02/386882302.db2.gz DVMDVXBSBYSXRJ-AWEZNQCLSA-N 0 3 232.371 3.511 20 0 BHADHN CC(C)CCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000293808488 386881546 /nfs/dbraw/zinc/88/15/46/386881546.db2.gz DVMDVXBSBYSXRJ-CQSZACIVSA-N 0 3 232.371 3.511 20 0 BHADHN CCCc1nc(C)c(CN[C@@H]2CC=C(C)CC2)o1 ZINC000293846266 386889705 /nfs/dbraw/zinc/88/97/05/386889705.db2.gz HLROXNPRGVPORM-CYBMUJFWSA-N 0 3 248.370 3.524 20 0 BHADHN CCCc1nc(C)c(CN[C@H]2CC=C(C)CC2)o1 ZINC000293846270 169586746 /nfs/dbraw/zinc/58/67/46/169586746.db2.gz HLROXNPRGVPORM-ZDUSSCGKSA-N 0 3 248.370 3.524 20 0 BHADHN Cc1ccoc1CN[C@H](C)CSC(C)(C)C ZINC000293857215 398297426 /nfs/dbraw/zinc/29/74/26/398297426.db2.gz XQGZJHYMFCAJGC-LLVKDONJSA-N 0 3 241.400 3.598 20 0 BHADHN Cc1ccoc1CN[C@@H](C)CSC(C)(C)C ZINC000293857217 398297211 /nfs/dbraw/zinc/29/72/11/398297211.db2.gz XQGZJHYMFCAJGC-NSHDSACASA-N 0 3 241.400 3.598 20 0 BHADHN Cc1sccc1CN1CCC(F)(F)[C@H](C)C1 ZINC000294059747 398121896 /nfs/dbraw/zinc/12/18/96/398121896.db2.gz XSGMZPICEJIMCZ-SECBINFHSA-N 0 3 245.338 3.534 20 0 BHADHN Cc1sccc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000294059752 398122059 /nfs/dbraw/zinc/12/20/59/398122059.db2.gz XSGMZPICEJIMCZ-VIFPVBQESA-N 0 3 245.338 3.534 20 0 BHADHN CC[C@H](C)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000294067260 171280040 /nfs/dbraw/zinc/28/00/40/171280040.db2.gz YHCPMZLHAKOKEC-GXTWGEPZSA-N 0 3 232.371 3.511 20 0 BHADHN CC[C@H](C)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000294067261 171279498 /nfs/dbraw/zinc/27/94/98/171279498.db2.gz YHCPMZLHAKOKEC-JSGCOSHPSA-N 0 3 232.371 3.511 20 0 BHADHN CC[C@@H](C)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000294067262 385797073 /nfs/dbraw/zinc/79/70/73/385797073.db2.gz YHCPMZLHAKOKEC-OCCSQVGLSA-N 0 3 232.371 3.511 20 0 BHADHN CC[C@@H](C)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000294067263 385798290 /nfs/dbraw/zinc/79/82/90/385798290.db2.gz YHCPMZLHAKOKEC-TZMCWYRMSA-N 0 3 232.371 3.511 20 0 BHADHN CC(F)(F)CCNCc1sccc1Cl ZINC000294090914 387592325 /nfs/dbraw/zinc/59/23/25/387592325.db2.gz BCKAPHYXZXBMRO-UHFFFAOYSA-N 0 3 239.718 3.536 20 0 BHADHN CC[C@@H](NCCC(C)(F)F)c1cccc(F)c1 ZINC000294091280 388394720 /nfs/dbraw/zinc/39/47/20/388394720.db2.gz BFSYXTRDPQBTSW-GFCCVEGCSA-N 0 3 245.288 3.912 20 0 BHADHN CC[C@H](NCCC(C)(F)F)c1cccc(F)c1 ZINC000294091285 384177400 /nfs/dbraw/zinc/17/74/00/384177400.db2.gz BFSYXTRDPQBTSW-LBPRGKRZSA-N 0 3 245.288 3.912 20 0 BHADHN CCOC(C)(C)CN[C@H](C)c1csc(C)c1 ZINC000294099146 170313874 /nfs/dbraw/zinc/31/38/74/170313874.db2.gz BVELPQOXXMTEEE-LLVKDONJSA-N 0 3 241.400 3.522 20 0 BHADHN CCOC(C)(C)CN[C@@H](C)c1csc(C)c1 ZINC000294099148 170313335 /nfs/dbraw/zinc/31/33/35/170313335.db2.gz BVELPQOXXMTEEE-NSHDSACASA-N 0 3 241.400 3.522 20 0 BHADHN C[C@@H](NCCC(C)(F)F)c1cc(F)cc(F)c1 ZINC000294117841 384754214 /nfs/dbraw/zinc/75/42/14/384754214.db2.gz DKCOMMSIMFCVFI-MRVPVSSYSA-N 0 3 249.251 3.661 20 0 BHADHN C[C@H](NCCC(C)(F)F)c1cc(F)cc(F)c1 ZINC000294117844 384756815 /nfs/dbraw/zinc/75/68/15/384756815.db2.gz DKCOMMSIMFCVFI-QMMMGPOBSA-N 0 3 249.251 3.661 20 0 BHADHN Cc1cc([C@@H](C)NCc2ccccc2)cs1 ZINC000294124945 178229425 /nfs/dbraw/zinc/22/94/25/178229425.db2.gz FBFODRBCMPQWEJ-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1cc([C@H](C)NCc2ccccc2)cs1 ZINC000294124948 178251979 /nfs/dbraw/zinc/25/19/79/178251979.db2.gz FBFODRBCMPQWEJ-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1ccc(CNC[C@H]2CCCCC2(F)F)o1 ZINC000294135949 384959779 /nfs/dbraw/zinc/95/97/79/384959779.db2.gz FYZVCVZGOKOGLD-LLVKDONJSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1ccc(CNC[C@@H]2CCCCC2(F)F)o1 ZINC000294135956 384960177 /nfs/dbraw/zinc/96/01/77/384960177.db2.gz FYZVCVZGOKOGLD-NSHDSACASA-N 0 3 243.297 3.503 20 0 BHADHN Cc1cc([C@@H](C)NCCC(C)(F)F)c(C)o1 ZINC000294139787 178224840 /nfs/dbraw/zinc/22/48/40/178224840.db2.gz GGLMJQGSDUINAS-SECBINFHSA-N 0 3 231.286 3.592 20 0 BHADHN Cc1cc([C@H](C)NCCC(C)(F)F)c(C)o1 ZINC000294139788 178246937 /nfs/dbraw/zinc/24/69/37/178246937.db2.gz GGLMJQGSDUINAS-VIFPVBQESA-N 0 3 231.286 3.592 20 0 BHADHN CC(F)(F)CCNCc1ccc(Cl)s1 ZINC000294165866 398340853 /nfs/dbraw/zinc/34/08/53/398340853.db2.gz IVWASHSITCOCQH-UHFFFAOYSA-N 0 3 239.718 3.536 20 0 BHADHN Cc1ccoc1CNC[C@H]1CCCCC1(F)F ZINC000294167363 387591432 /nfs/dbraw/zinc/59/14/32/387591432.db2.gz IYLHSBRFOMPWLT-LLVKDONJSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1ccoc1CNC[C@@H]1CCCCC1(F)F ZINC000294167365 385343539 /nfs/dbraw/zinc/34/35/39/385343539.db2.gz IYLHSBRFOMPWLT-NSHDSACASA-N 0 3 243.297 3.503 20 0 BHADHN CC[C@H](NCc1ccccc1)c1ccsc1 ZINC000294175497 384452223 /nfs/dbraw/zinc/45/22/23/384452223.db2.gz CXRLPOOSDGJMED-AWEZNQCLSA-N 0 3 231.364 3.989 20 0 BHADHN CC[C@@H](NCc1ccccc1)c1ccsc1 ZINC000294175501 353139856 /nfs/dbraw/zinc/13/98/56/353139856.db2.gz CXRLPOOSDGJMED-CQSZACIVSA-N 0 3 231.364 3.989 20 0 BHADHN C[C@@H](NCCC(C)(F)F)c1cc(F)ccc1F ZINC000294182255 384289843 /nfs/dbraw/zinc/28/98/43/384289843.db2.gz KEYXONMSNUZBFI-MRVPVSSYSA-N 0 3 249.251 3.661 20 0 BHADHN C[C@H](NCCC(C)(F)F)c1cc(F)ccc1F ZINC000294182257 384290324 /nfs/dbraw/zinc/29/03/24/384290324.db2.gz KEYXONMSNUZBFI-QMMMGPOBSA-N 0 3 249.251 3.661 20 0 BHADHN CC[C@H](NCc1ccc(C)nc1)c1ccsc1 ZINC000294182722 384289291 /nfs/dbraw/zinc/28/92/91/384289291.db2.gz DVKDJVVFRBWCRD-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1ccc(C)nc1)c1ccsc1 ZINC000294182727 345373211 /nfs/dbraw/zinc/37/32/11/345373211.db2.gz DVKDJVVFRBWCRD-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN Cc1cc([C@@H](C)NCCC(C)(F)F)cs1 ZINC000294197107 178225092 /nfs/dbraw/zinc/22/50/92/178225092.db2.gz LNYZRXSWXHVIHP-SECBINFHSA-N 0 3 233.327 3.752 20 0 BHADHN Cc1cc([C@H](C)NCCC(C)(F)F)cs1 ZINC000294197110 178246973 /nfs/dbraw/zinc/24/69/73/178246973.db2.gz LNYZRXSWXHVIHP-VIFPVBQESA-N 0 3 233.327 3.752 20 0 BHADHN CC[C@@H](N[C@H](C)c1cccnc1)c1ccsc1 ZINC000294197372 364777682 /nfs/dbraw/zinc/77/76/82/364777682.db2.gz GWEANXYQBHKEQK-BXUZGUMPSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@H](N[C@@H](C)c1cccnc1)c1ccsc1 ZINC000294197376 388397088 /nfs/dbraw/zinc/39/70/88/388397088.db2.gz GWEANXYQBHKEQK-FZMZJTMJSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@H](N[C@H](C)c1cccnc1)c1ccsc1 ZINC000294197381 388396229 /nfs/dbraw/zinc/39/62/29/388396229.db2.gz GWEANXYQBHKEQK-RISCZKNCSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cccnc1)c1ccsc1 ZINC000294197384 364776435 /nfs/dbraw/zinc/77/64/35/364776435.db2.gz GWEANXYQBHKEQK-SMDDNHRTSA-N 0 3 246.379 3.945 20 0 BHADHN Cc1cc([C@H](C)NCc2ccsc2)cs1 ZINC000294205313 178252401 /nfs/dbraw/zinc/25/24/01/178252401.db2.gz MDASKFLJIAWRHO-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN Cc1cc([C@@H](C)NCc2ccsc2)cs1 ZINC000294205316 178228686 /nfs/dbraw/zinc/22/86/86/178228686.db2.gz MDASKFLJIAWRHO-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN CC(F)(F)CCNc1ccnc2ccccc21 ZINC000294208985 384601654 /nfs/dbraw/zinc/60/16/54/384601654.db2.gz MLTSDQAFZXOEJV-UHFFFAOYSA-N 0 3 236.265 3.692 20 0 BHADHN CC(F)(F)CCNCc1cc2ccccc2o1 ZINC000294212832 388396682 /nfs/dbraw/zinc/39/66/82/388396682.db2.gz MQWOSTHDPPUUDH-UHFFFAOYSA-N 0 3 239.265 3.568 20 0 BHADHN CC(F)(F)CCNCc1ccc2ccccc2c1 ZINC000294213988 388396305 /nfs/dbraw/zinc/39/63/05/388396305.db2.gz MUPIFORXZLROEO-UHFFFAOYSA-N 0 3 249.304 3.975 20 0 BHADHN Cc1sccc1CN[C@@H]1CCc2ccccc21 ZINC000294218324 384669668 /nfs/dbraw/zinc/66/96/68/384669668.db2.gz SELCGFDUVZTLJS-OAHLLOKOSA-N 0 3 243.375 3.834 20 0 BHADHN C[C@@H](NCCC(C)(F)F)c1cccc(F)c1F ZINC000294219739 388396673 /nfs/dbraw/zinc/39/66/73/388396673.db2.gz NHZZXEHZVIDYEU-MRVPVSSYSA-N 0 3 249.251 3.661 20 0 BHADHN C[C@H](NCCC(C)(F)F)c1cccc(F)c1F ZINC000294219747 388396994 /nfs/dbraw/zinc/39/69/94/388396994.db2.gz NHZZXEHZVIDYEU-QMMMGPOBSA-N 0 3 249.251 3.661 20 0 BHADHN C[C@@H](NCCC(C)(F)F)c1cccc(F)c1 ZINC000294231382 384687747 /nfs/dbraw/zinc/68/77/47/384687747.db2.gz OJJJYMJRWLELDJ-SECBINFHSA-N 0 3 231.261 3.522 20 0 BHADHN C[C@H](NCCC(C)(F)F)c1cccc(F)c1 ZINC000294231385 384688049 /nfs/dbraw/zinc/68/80/49/384688049.db2.gz OJJJYMJRWLELDJ-VIFPVBQESA-N 0 3 231.261 3.522 20 0 BHADHN FC1(F)CCCC[C@@H]1CNCc1ccsc1 ZINC000294238140 384689212 /nfs/dbraw/zinc/68/92/12/384689212.db2.gz OYHLLKYOLLYXRQ-LLVKDONJSA-N 0 3 245.338 3.663 20 0 BHADHN FC1(F)CCCC[C@H]1CNCc1ccsc1 ZINC000294238143 384690269 /nfs/dbraw/zinc/69/02/69/384690269.db2.gz OYHLLKYOLLYXRQ-NSHDSACASA-N 0 3 245.338 3.663 20 0 BHADHN Cc1cc([C@@H](C)NCc2ccc(C)nc2)cs1 ZINC000294241685 384689643 /nfs/dbraw/zinc/68/96/43/384689643.db2.gz PFULKKZBHDFLJV-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc([C@H](C)NCc2ccc(C)nc2)cs1 ZINC000294241689 384689658 /nfs/dbraw/zinc/68/96/58/384689658.db2.gz PFULKKZBHDFLJV-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1sccc1CNCc1ccc(F)c(C)c1 ZINC000294242372 178026272 /nfs/dbraw/zinc/02/62/72/178026272.db2.gz UDDKYWOKTBIJNO-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN C[C@@H](NCCC(C)(F)F)c1ccc(F)c(F)c1 ZINC000294252894 388397987 /nfs/dbraw/zinc/39/79/87/388397987.db2.gz QAJMVSBWZCUTKT-MRVPVSSYSA-N 0 3 249.251 3.661 20 0 BHADHN C[C@H](NCCC(C)(F)F)c1ccc(F)c(F)c1 ZINC000294252898 410520967 /nfs/dbraw/zinc/52/09/67/410520967.db2.gz QAJMVSBWZCUTKT-QMMMGPOBSA-N 0 3 249.251 3.661 20 0 BHADHN C[C@@H](NC[C@H]1CCCCC1(F)F)c1ccco1 ZINC000294269303 384710815 /nfs/dbraw/zinc/71/08/15/384710815.db2.gz ROYSUDXEQVOOJH-GHMZBOCLSA-N 0 3 243.297 3.756 20 0 BHADHN C[C@@H](NC[C@@H]1CCCCC1(F)F)c1ccco1 ZINC000294269309 384710641 /nfs/dbraw/zinc/71/06/41/384710641.db2.gz ROYSUDXEQVOOJH-MNOVXSKESA-N 0 3 243.297 3.756 20 0 BHADHN C[C@H](NC[C@@H]1CCCCC1(F)F)c1ccco1 ZINC000294269317 384711539 /nfs/dbraw/zinc/71/15/39/384711539.db2.gz ROYSUDXEQVOOJH-QWRGUYRKSA-N 0 3 243.297 3.756 20 0 BHADHN C[C@H](NC[C@H]1CCCCC1(F)F)c1ccco1 ZINC000294269321 384710590 /nfs/dbraw/zinc/71/05/90/384710590.db2.gz ROYSUDXEQVOOJH-WDEREUQCSA-N 0 3 243.297 3.756 20 0 BHADHN Cc1cc([C@H](C)NCc2cccs2)cs1 ZINC000294278625 178251532 /nfs/dbraw/zinc/25/15/32/178251532.db2.gz SMCPETFRYFZKEX-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN Cc1cc([C@@H](C)NCc2cccs2)cs1 ZINC000294278630 178229102 /nfs/dbraw/zinc/22/91/02/178229102.db2.gz SMCPETFRYFZKEX-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN CC[C@@H](NCCC(C)(F)F)c1ccccc1F ZINC000294278689 388397838 /nfs/dbraw/zinc/39/78/38/388397838.db2.gz SMOBAPCNOKTJDP-GFCCVEGCSA-N 0 3 245.288 3.912 20 0 BHADHN CC[C@H](NCCC(C)(F)F)c1ccccc1F ZINC000294278694 388397662 /nfs/dbraw/zinc/39/76/62/388397662.db2.gz SMOBAPCNOKTJDP-LBPRGKRZSA-N 0 3 245.288 3.912 20 0 BHADHN C[C@@H](NCCC(C)(F)F)c1ccc(F)cc1F ZINC000294291052 384732083 /nfs/dbraw/zinc/73/20/83/384732083.db2.gz UFPHYUQGMWUDMA-MRVPVSSYSA-N 0 3 249.251 3.661 20 0 BHADHN C[C@H](NCCC(C)(F)F)c1ccc(F)cc1F ZINC000294291056 384732566 /nfs/dbraw/zinc/73/25/66/384732566.db2.gz UFPHYUQGMWUDMA-QMMMGPOBSA-N 0 3 249.251 3.661 20 0 BHADHN CC(F)(F)CCNCc1cc(Cl)cs1 ZINC000294295094 384740872 /nfs/dbraw/zinc/74/08/72/384740872.db2.gz UOOTWUPGQPCOKJ-UHFFFAOYSA-N 0 3 239.718 3.536 20 0 BHADHN Cc1cc([C@H](C)N[C@H](C)c2cccnc2)cs1 ZINC000294296896 178257911 /nfs/dbraw/zinc/25/79/11/178257911.db2.gz URGLARIJWLHPSP-NEPJUHHUSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H](C)c2cccnc2)cs1 ZINC000294296899 178231022 /nfs/dbraw/zinc/23/10/22/178231022.db2.gz URGLARIJWLHPSP-NWDGAFQWSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1cc([C@H](C)N[C@@H](C)c2cccnc2)cs1 ZINC000294296905 178253667 /nfs/dbraw/zinc/25/36/67/178253667.db2.gz URGLARIJWLHPSP-RYUDHWBXSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1cc([C@@H](C)N[C@H](C)c2cccnc2)cs1 ZINC000294296911 178233155 /nfs/dbraw/zinc/23/31/55/178233155.db2.gz URGLARIJWLHPSP-VXGBXAGGSA-N 0 3 246.379 3.863 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNCCC(C)(F)F)o1 ZINC000294312547 388398689 /nfs/dbraw/zinc/39/86/89/388398689.db2.gz VZZIPQFUZNTXLO-GXSJLCMTSA-N 0 3 243.297 3.538 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNCCC(C)(F)F)o1 ZINC000294312552 388398720 /nfs/dbraw/zinc/39/87/20/388398720.db2.gz VZZIPQFUZNTXLO-KOLCDFICSA-N 0 3 243.297 3.538 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNCCC(C)(F)F)o1 ZINC000294312557 388398814 /nfs/dbraw/zinc/39/88/14/388398814.db2.gz VZZIPQFUZNTXLO-MWLCHTKSSA-N 0 3 243.297 3.538 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNCCC(C)(F)F)o1 ZINC000294312563 177351798 /nfs/dbraw/zinc/35/17/98/177351798.db2.gz VZZIPQFUZNTXLO-ONGXEEELSA-N 0 3 243.297 3.538 20 0 BHADHN Cc1sccc1CNCc1ccc(C)cc1 ZINC000294321377 384751015 /nfs/dbraw/zinc/75/10/15/384751015.db2.gz XYBDLCVAKFWXGJ-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN C[C@@H](NCCC(C)(F)F)c1ccc(F)cc1 ZINC000294331472 175871979 /nfs/dbraw/zinc/87/19/79/175871979.db2.gz XRLROGIEVQLJPO-SECBINFHSA-N 0 3 231.261 3.522 20 0 BHADHN C[C@H](NCCC(C)(F)F)c1ccc(F)cc1 ZINC000294331475 176840501 /nfs/dbraw/zinc/84/05/01/176840501.db2.gz XRLROGIEVQLJPO-VIFPVBQESA-N 0 3 231.261 3.522 20 0 BHADHN C[C@@H](NCCC(C)(F)F)c1ccccc1F ZINC000294355936 384779004 /nfs/dbraw/zinc/77/90/04/384779004.db2.gz ZPJQHNFHMBOYBA-SECBINFHSA-N 0 3 231.261 3.522 20 0 BHADHN C[C@H](NCCC(C)(F)F)c1ccccc1F ZINC000294355937 384778660 /nfs/dbraw/zinc/77/86/60/384778660.db2.gz ZPJQHNFHMBOYBA-VIFPVBQESA-N 0 3 231.261 3.522 20 0 BHADHN Cc1cc(Cl)ccc1CNCCC(C)(F)F ZINC000294356046 178067203 /nfs/dbraw/zinc/06/72/03/178067203.db2.gz ZRIVVJQXGQBVFW-UHFFFAOYSA-N 0 3 247.716 3.783 20 0 BHADHN Cc1cnccc1CN(C)[C@@H](C)c1ccccc1 ZINC000294578079 385870786 /nfs/dbraw/zinc/87/07/86/385870786.db2.gz PQLGMCHTGNKLAA-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cnccc1CN(C)[C@H](C)c1ccccc1 ZINC000294578082 385870316 /nfs/dbraw/zinc/87/03/16/385870316.db2.gz PQLGMCHTGNKLAA-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cc(CN2CCC[C@H]2c2ccc[nH]2)cs1 ZINC000294614244 385873684 /nfs/dbraw/zinc/87/36/84/385873684.db2.gz XBLGTKHQXWFHJZ-AWEZNQCLSA-N 0 3 246.379 3.722 20 0 BHADHN Cc1cc(CN2CCC[C@@H]2c2ccc[nH]2)cs1 ZINC000294614247 385874471 /nfs/dbraw/zinc/87/44/71/385874471.db2.gz XBLGTKHQXWFHJZ-CQSZACIVSA-N 0 3 246.379 3.722 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@@H](C)CCC=C(C)C ZINC000294697228 172229602 /nfs/dbraw/zinc/22/96/02/172229602.db2.gz ANMWDTMYSWQEQL-KBPBESRZSA-N 0 3 249.402 3.689 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@H](C)CCC=C(C)C ZINC000294697229 172229631 /nfs/dbraw/zinc/22/96/31/172229631.db2.gz ANMWDTMYSWQEQL-KGLIPLIRSA-N 0 3 249.402 3.689 20 0 BHADHN CCn1ccnc1[C@@H](C)N[C@@H](C)CCC=C(C)C ZINC000294697230 172227773 /nfs/dbraw/zinc/22/77/73/172227773.db2.gz ANMWDTMYSWQEQL-UONOGXRCSA-N 0 3 249.402 3.689 20 0 BHADHN CCn1ccnc1[C@@H](C)N[C@H](C)CCC=C(C)C ZINC000294697232 172228638 /nfs/dbraw/zinc/22/86/38/172228638.db2.gz ANMWDTMYSWQEQL-ZIAGYGMSSA-N 0 3 249.402 3.689 20 0 BHADHN CC(=O)c1cccc(CN(C)[C@H](C)C2(C)CC2)c1 ZINC000294841640 385903882 /nfs/dbraw/zinc/90/38/82/385903882.db2.gz BMKJXIWFTXHAIB-CYBMUJFWSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN(C)[C@@H](C)C2(C)CC2)c1 ZINC000294841642 385903336 /nfs/dbraw/zinc/90/33/36/385903336.db2.gz BMKJXIWFTXHAIB-ZDUSSCGKSA-N 0 3 245.366 3.510 20 0 BHADHN Cc1cc(CNC2(c3ccccc3)CC2)cs1 ZINC000294918788 178019673 /nfs/dbraw/zinc/01/96/73/178019673.db2.gz CMAVFAQCMNJUKM-UHFFFAOYSA-N 0 3 243.375 3.835 20 0 BHADHN CCC(=O)CCCN([C@H](C)c1ccco1)C1CC1 ZINC000294956374 168198678 /nfs/dbraw/zinc/19/86/78/168198678.db2.gz MWYYEQDZRMJEET-GFCCVEGCSA-N 0 3 249.354 3.564 20 0 BHADHN CCC(=O)CCCN([C@@H](C)c1ccco1)C1CC1 ZINC000294956379 168199400 /nfs/dbraw/zinc/19/94/00/168199400.db2.gz MWYYEQDZRMJEET-LBPRGKRZSA-N 0 3 249.354 3.564 20 0 BHADHN CC(C)n1cc([C@@H](C)NCC2=CCCCC2)cn1 ZINC000294962027 385928949 /nfs/dbraw/zinc/92/89/49/385928949.db2.gz KDQMXRXYZROZQR-CYBMUJFWSA-N 0 3 247.386 3.615 20 0 BHADHN CC(C)n1cc([C@H](C)NCC2=CCCCC2)cn1 ZINC000294962028 385928962 /nfs/dbraw/zinc/92/89/62/385928962.db2.gz KDQMXRXYZROZQR-ZDUSSCGKSA-N 0 3 247.386 3.615 20 0 BHADHN CCC(C)(C)N(C)Cc1cccc(C(C)=O)c1 ZINC000294970741 168287017 /nfs/dbraw/zinc/28/70/17/168287017.db2.gz OGWFWNYEIAGHEL-UHFFFAOYSA-N 0 3 233.355 3.510 20 0 BHADHN CCC(C)(C)N(C)Cc1ccc(C(C)=O)cc1 ZINC000295027696 168286714 /nfs/dbraw/zinc/28/67/14/168286714.db2.gz VPGSJEOIVOTQRF-UHFFFAOYSA-N 0 3 233.355 3.510 20 0 BHADHN Cc1ccncc1[C@@H](C)NCC1=CCCCC1 ZINC000295057724 179495793 /nfs/dbraw/zinc/49/57/93/179495793.db2.gz VCUVCEWOSNZBJQ-CYBMUJFWSA-N 0 3 230.355 3.541 20 0 BHADHN Cc1ccncc1[C@H](C)NCC1=CCCCC1 ZINC000295057727 385955143 /nfs/dbraw/zinc/95/51/43/385955143.db2.gz VCUVCEWOSNZBJQ-ZDUSSCGKSA-N 0 3 230.355 3.541 20 0 BHADHN CCC[C@@H](CC)NCc1cc(F)cnc1Cl ZINC000295095562 169379558 /nfs/dbraw/zinc/37/95/58/169379558.db2.gz JVGXFAUATBDCLJ-LLVKDONJSA-N 0 3 244.741 3.542 20 0 BHADHN CCC[C@H](CC)NCc1cc(F)cnc1Cl ZINC000295095563 385962471 /nfs/dbraw/zinc/96/24/71/385962471.db2.gz JVGXFAUATBDCLJ-NSHDSACASA-N 0 3 244.741 3.542 20 0 BHADHN CCC1(NCc2cccnc2Cl)CCCC1 ZINC000295102670 385966485 /nfs/dbraw/zinc/96/64/85/385966485.db2.gz TWDHZMLMGNLJSW-UHFFFAOYSA-N 0 3 238.762 3.547 20 0 BHADHN C[C@H](c1ccccc1F)N1CCC(CF)CC1 ZINC000295103334 177042017 /nfs/dbraw/zinc/04/20/17/177042017.db2.gz HJOHXNAJXCXXOG-LLVKDONJSA-N 0 3 239.309 3.568 20 0 BHADHN C[C@@H](c1ccccc1F)N1CCC(CF)CC1 ZINC000295103337 176025688 /nfs/dbraw/zinc/02/56/88/176025688.db2.gz HJOHXNAJXCXXOG-NSHDSACASA-N 0 3 239.309 3.568 20 0 BHADHN C[C@@H](NCCC(C)(C)C1CC1)c1ccccn1 ZINC000295106817 388408889 /nfs/dbraw/zinc/40/88/89/388408889.db2.gz WVVCUOOQTGERDK-GFCCVEGCSA-N 0 3 232.371 3.559 20 0 BHADHN C[C@H](NCCC(C)(C)C1CC1)c1ccccn1 ZINC000295106820 388409082 /nfs/dbraw/zinc/40/90/82/388409082.db2.gz WVVCUOOQTGERDK-LBPRGKRZSA-N 0 3 232.371 3.559 20 0 BHADHN CC(=O)c1ccc(CN(C)[C@H](C)C2(C)CC2)cc1 ZINC000295110206 188394024 /nfs/dbraw/zinc/39/40/24/188394024.db2.gz VHPPBWNPLPIFKD-CYBMUJFWSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN(C)[C@@H](C)C2(C)CC2)cc1 ZINC000295110208 385970703 /nfs/dbraw/zinc/97/07/03/385970703.db2.gz VHPPBWNPLPIFKD-ZDUSSCGKSA-N 0 3 245.366 3.510 20 0 BHADHN C[C@H](c1cccc(F)c1)N1CCC(CF)CC1 ZINC000295147676 177036120 /nfs/dbraw/zinc/03/61/20/177036120.db2.gz NBYKQFMEGONHNF-LLVKDONJSA-N 0 3 239.309 3.568 20 0 BHADHN C[C@@H](c1cccc(F)c1)N1CCC(CF)CC1 ZINC000295147680 176017596 /nfs/dbraw/zinc/01/75/96/176017596.db2.gz NBYKQFMEGONHNF-NSHDSACASA-N 0 3 239.309 3.568 20 0 BHADHN Cc1ccnc([C@@H](C)NCC2=CCCCC2)c1 ZINC000295152025 179465678 /nfs/dbraw/zinc/46/56/78/179465678.db2.gz RFJCNYVQAOGAME-CYBMUJFWSA-N 0 3 230.355 3.541 20 0 BHADHN Cc1ccnc([C@H](C)NCC2=CCCCC2)c1 ZINC000295152027 385979334 /nfs/dbraw/zinc/97/93/34/385979334.db2.gz RFJCNYVQAOGAME-ZDUSSCGKSA-N 0 3 230.355 3.541 20 0 BHADHN CCCC[C@@H](C)NCc1cc(F)cnc1Cl ZINC000295190175 352401474 /nfs/dbraw/zinc/40/14/74/352401474.db2.gz XFAGXCFFVOJAJG-SECBINFHSA-N 0 3 244.741 3.542 20 0 BHADHN CCCC[C@H](C)NCc1cc(F)cnc1Cl ZINC000295190176 352401285 /nfs/dbraw/zinc/40/12/85/352401285.db2.gz XFAGXCFFVOJAJG-VIFPVBQESA-N 0 3 244.741 3.542 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000295214147 188393886 /nfs/dbraw/zinc/39/38/86/188393886.db2.gz LXDSMTWPQAYRTM-BFHYXJOUSA-N 0 3 247.386 3.613 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000295214148 187350961 /nfs/dbraw/zinc/35/09/61/187350961.db2.gz LXDSMTWPQAYRTM-IHRRRGAJSA-N 0 3 247.386 3.613 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000295214150 188393432 /nfs/dbraw/zinc/39/34/32/188393432.db2.gz LXDSMTWPQAYRTM-MELADBBJSA-N 0 3 247.386 3.613 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000295214151 385993155 /nfs/dbraw/zinc/99/31/55/385993155.db2.gz LXDSMTWPQAYRTM-MJBXVCDLSA-N 0 3 247.386 3.613 20 0 BHADHN CC(=O)c1cccc(CN2CCC[C@H]2C(C)C)c1 ZINC000295415781 386029343 /nfs/dbraw/zinc/02/93/43/386029343.db2.gz DOHVAOYQBRWPPT-INIZCTEOSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN2CCC[C@@H]2C(C)C)c1 ZINC000295415785 386030506 /nfs/dbraw/zinc/03/05/06/386030506.db2.gz DOHVAOYQBRWPPT-MRXNPFEDSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN(CC(C)C)C2CC2)c1 ZINC000295525486 386047613 /nfs/dbraw/zinc/04/76/13/386047613.db2.gz MURXQJGTJVYSOJ-UHFFFAOYSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN(CC(C)C)C2CC2)cc1 ZINC000295604455 386061241 /nfs/dbraw/zinc/06/12/41/386061241.db2.gz USEGWZWCBYTZLN-UHFFFAOYSA-N 0 3 245.366 3.510 20 0 BHADHN CC/C=C/CCN1CCC=C(c2cccnc2)C1 ZINC000295692068 398136088 /nfs/dbraw/zinc/13/60/88/398136088.db2.gz DKYPYUKYGKYKGK-ONEGZZNKSA-N 0 3 242.366 3.527 20 0 BHADHN CC/C=C/CN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000295843745 386092543 /nfs/dbraw/zinc/09/25/43/386092543.db2.gz ARRIEODKNUGSIS-BCPZQOPPSA-N 0 3 249.402 3.563 20 0 BHADHN CC/C=C/CN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000295843748 386092462 /nfs/dbraw/zinc/09/24/62/386092462.db2.gz ARRIEODKNUGSIS-IDVQTMNDSA-N 0 3 249.402 3.563 20 0 BHADHN CC(F)(F)CCNCc1ccc2occc2c1 ZINC000296003111 398136684 /nfs/dbraw/zinc/13/66/84/398136684.db2.gz KZPJZVPTIWEPEJ-UHFFFAOYSA-N 0 3 239.265 3.568 20 0 BHADHN Cc1cccc(CNCCCC(C)(F)F)c1F ZINC000296038016 179090811 /nfs/dbraw/zinc/09/08/11/179090811.db2.gz NTZMLGADFCURCD-UHFFFAOYSA-N 0 3 245.288 3.659 20 0 BHADHN Cc1cc(CN2CCC(F)(F)[C@H](C)C2)cs1 ZINC000296050081 386129974 /nfs/dbraw/zinc/12/99/74/386129974.db2.gz OOBSNDZLIFLDAJ-SECBINFHSA-N 0 3 245.338 3.534 20 0 BHADHN Cc1cc(CN2CCC(F)(F)[C@@H](C)C2)cs1 ZINC000296050083 386129670 /nfs/dbraw/zinc/12/96/70/386129670.db2.gz OOBSNDZLIFLDAJ-VIFPVBQESA-N 0 3 245.338 3.534 20 0 BHADHN C[C@@H](NCc1cc[nH]c1)c1cccc(C2CC2)c1 ZINC000296096795 386135274 /nfs/dbraw/zinc/13/52/74/386135274.db2.gz RPABXNULOFFMHR-GFCCVEGCSA-N 0 3 240.350 3.743 20 0 BHADHN C[C@H](NCc1cc[nH]c1)c1cccc(C2CC2)c1 ZINC000296096810 386134157 /nfs/dbraw/zinc/13/41/57/386134157.db2.gz RPABXNULOFFMHR-LBPRGKRZSA-N 0 3 240.350 3.743 20 0 BHADHN CC(F)(F)CCCNCc1ccccc1Cl ZINC000296103633 383929865 /nfs/dbraw/zinc/92/98/65/383929865.db2.gz RYFMGBVJMQPILN-UHFFFAOYSA-N 0 3 247.716 3.865 20 0 BHADHN CCC1(NCc2csc(Cl)n2)CCCC1 ZINC000296239673 386154544 /nfs/dbraw/zinc/15/45/44/386154544.db2.gz KXXXAETYNUNFCQ-UHFFFAOYSA-N 0 3 244.791 3.609 20 0 BHADHN CC/C=C/CN[C@@H](C)c1nccc2ccccc21 ZINC000296378516 411480666 /nfs/dbraw/zinc/48/06/66/411480666.db2.gz JMXDSKSDOLXYJS-LVDDQXARSA-N 0 3 240.350 3.852 20 0 BHADHN CC/C=C/CN[C@H](C)c1nccc2ccccc21 ZINC000296378522 411480538 /nfs/dbraw/zinc/48/05/38/411480538.db2.gz JMXDSKSDOLXYJS-WXJAXGNASA-N 0 3 240.350 3.852 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000296421403 411480961 /nfs/dbraw/zinc/48/09/61/411480961.db2.gz LKBCDIZKQXXUGK-GXTWGEPZSA-N 0 3 249.402 3.514 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000296421406 411480849 /nfs/dbraw/zinc/48/08/49/411480849.db2.gz LKBCDIZKQXXUGK-JSGCOSHPSA-N 0 3 249.402 3.514 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000296421409 191645233 /nfs/dbraw/zinc/64/52/33/191645233.db2.gz LKBCDIZKQXXUGK-OCCSQVGLSA-N 0 3 249.402 3.514 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000296421413 191645219 /nfs/dbraw/zinc/64/52/19/191645219.db2.gz LKBCDIZKQXXUGK-TZMCWYRMSA-N 0 3 249.402 3.514 20 0 BHADHN CCC1(N[C@H](C)c2cccc(F)c2F)CC1 ZINC000296452860 386174433 /nfs/dbraw/zinc/17/44/33/386174433.db2.gz MVQOPWUUQQALEZ-SECBINFHSA-N 0 3 225.282 3.558 20 0 BHADHN CCC1(N[C@@H](C)c2cccc(F)c2F)CC1 ZINC000296452864 386173770 /nfs/dbraw/zinc/17/37/70/386173770.db2.gz MVQOPWUUQQALEZ-VIFPVBQESA-N 0 3 225.282 3.558 20 0 BHADHN CC[C@H](NC1CC(F)(F)C1)c1ccsc1 ZINC000296487898 386176826 /nfs/dbraw/zinc/17/68/26/386176826.db2.gz PMEUNKDBLPTVPW-JTQLQIEISA-N 0 3 231.311 3.587 20 0 BHADHN CC[C@@H](NC1CC(F)(F)C1)c1ccsc1 ZINC000296487901 386176322 /nfs/dbraw/zinc/17/63/22/386176322.db2.gz PMEUNKDBLPTVPW-SNVBAGLBSA-N 0 3 231.311 3.587 20 0 BHADHN CC(=O)c1cccc(CN(C)C2CCCCC2)c1 ZINC000296533043 386182373 /nfs/dbraw/zinc/18/23/73/386182373.db2.gz NJRWMZTWCFVUMH-UHFFFAOYSA-N 0 3 245.366 3.654 20 0 BHADHN C[C@H](NCCCC(C)(F)F)c1ccccc1F ZINC000296542242 384189187 /nfs/dbraw/zinc/18/91/87/384189187.db2.gz BMKXTVHSAWVDFF-JTQLQIEISA-N 0 3 245.288 3.912 20 0 BHADHN C[C@@H](NCCCC(C)(F)F)c1ccccc1F ZINC000296542248 384188615 /nfs/dbraw/zinc/18/86/15/384188615.db2.gz BMKXTVHSAWVDFF-SNVBAGLBSA-N 0 3 245.288 3.912 20 0 BHADHN Cc1ccsc1CNCc1cccc(C)c1F ZINC000296597202 384195969 /nfs/dbraw/zinc/19/59/69/384195969.db2.gz YCHFWQUEUMBMTD-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@H](C)c1nccnc1C ZINC000296605559 538025064 /nfs/dbraw/zinc/02/50/64/538025064.db2.gz VYSHIVMMUVBPDB-GXTWGEPZSA-N 0 3 247.386 3.571 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@@H](C)c1nccnc1C ZINC000296605561 188572453 /nfs/dbraw/zinc/57/24/53/188572453.db2.gz VYSHIVMMUVBPDB-JSGCOSHPSA-N 0 3 247.386 3.571 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000296605563 188040186 /nfs/dbraw/zinc/04/01/86/188040186.db2.gz VYSHIVMMUVBPDB-OCCSQVGLSA-N 0 3 247.386 3.571 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@H](C)c1nccnc1C ZINC000296605566 398139369 /nfs/dbraw/zinc/13/93/69/398139369.db2.gz VYSHIVMMUVBPDB-TZMCWYRMSA-N 0 3 247.386 3.571 20 0 BHADHN CCC[C@@H](C)N(C)Cc1cccc(C(C)=O)c1 ZINC000296624196 169365363 /nfs/dbraw/zinc/36/53/63/169365363.db2.gz VCJMMJLBJLGZKE-GFCCVEGCSA-N 0 3 233.355 3.510 20 0 BHADHN CCC[C@H](C)N(C)Cc1cccc(C(C)=O)c1 ZINC000296624197 398139752 /nfs/dbraw/zinc/13/97/52/398139752.db2.gz VCJMMJLBJLGZKE-LBPRGKRZSA-N 0 3 233.355 3.510 20 0 BHADHN CC(=O)c1ccc(CN(C)C2CCCCC2)cc1 ZINC000296624301 188040282 /nfs/dbraw/zinc/04/02/82/188040282.db2.gz VEYZTYWXOOJBAM-UHFFFAOYSA-N 0 3 245.366 3.654 20 0 BHADHN CC/C=C/CN[C@@H](C)c1sc(CC)nc1C ZINC000296643893 386190935 /nfs/dbraw/zinc/19/09/35/386190935.db2.gz YHIKMSRHFUBOAV-JARNTUPDSA-N 0 3 238.400 3.631 20 0 BHADHN CC/C=C/CN[C@H](C)c1sc(CC)nc1C ZINC000296643894 386191142 /nfs/dbraw/zinc/19/11/42/386191142.db2.gz YHIKMSRHFUBOAV-QROSGCPLSA-N 0 3 238.400 3.631 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@@H](C)c1cscn1 ZINC000296656939 386191644 /nfs/dbraw/zinc/19/16/44/386191644.db2.gz ZKNOLNBUTXEAAK-NEPJUHHUSA-N 0 3 238.400 3.929 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@H](C)c1cscn1 ZINC000296656940 386191908 /nfs/dbraw/zinc/19/19/08/386191908.db2.gz ZKNOLNBUTXEAAK-NWDGAFQWSA-N 0 3 238.400 3.929 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@@H](C)c1cscn1 ZINC000296656941 386192233 /nfs/dbraw/zinc/19/22/33/386192233.db2.gz ZKNOLNBUTXEAAK-RYUDHWBXSA-N 0 3 238.400 3.929 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@H](C)c1cscn1 ZINC000296656942 386190798 /nfs/dbraw/zinc/19/07/98/386190798.db2.gz ZKNOLNBUTXEAAK-VXGBXAGGSA-N 0 3 238.400 3.929 20 0 BHADHN CCC[C@@H](C)N(C)Cc1ccc(C(C)=O)cc1 ZINC000296657803 169364622 /nfs/dbraw/zinc/36/46/22/169364622.db2.gz YAEQASVCOXWLIP-GFCCVEGCSA-N 0 3 233.355 3.510 20 0 BHADHN CCC[C@H](C)N(C)Cc1ccc(C(C)=O)cc1 ZINC000296657812 386192116 /nfs/dbraw/zinc/19/21/16/386192116.db2.gz YAEQASVCOXWLIP-LBPRGKRZSA-N 0 3 233.355 3.510 20 0 BHADHN Cc1ccc([C@H](C)NCCCC(C)(F)F)o1 ZINC000297165936 388428993 /nfs/dbraw/zinc/42/89/93/388428993.db2.gz DCZXEEPHZVNBFW-JTQLQIEISA-N 0 3 231.286 3.674 20 0 BHADHN Cc1ccc([C@@H](C)NCCCC(C)(F)F)o1 ZINC000297165940 388428417 /nfs/dbraw/zinc/42/84/17/388428417.db2.gz DCZXEEPHZVNBFW-SNVBAGLBSA-N 0 3 231.286 3.674 20 0 BHADHN Cc1nc([C@@H](C)NCCCC(C)(F)F)cs1 ZINC000297174830 180035274 /nfs/dbraw/zinc/03/52/74/180035274.db2.gz DOLSPYSZEIWEFC-MRVPVSSYSA-N 0 3 248.342 3.538 20 0 BHADHN Cc1nc([C@H](C)NCCCC(C)(F)F)cs1 ZINC000297174835 180049884 /nfs/dbraw/zinc/04/98/84/180049884.db2.gz DOLSPYSZEIWEFC-QMMMGPOBSA-N 0 3 248.342 3.538 20 0 BHADHN CCc1ccc([C@H](C)NCCCC(C)(F)F)o1 ZINC000297202040 386233372 /nfs/dbraw/zinc/23/33/72/386233372.db2.gz GBEXVOIZWIJUHQ-JTQLQIEISA-N 0 3 245.313 3.928 20 0 BHADHN CCc1ccc([C@@H](C)NCCCC(C)(F)F)o1 ZINC000297202043 386233198 /nfs/dbraw/zinc/23/31/98/386233198.db2.gz GBEXVOIZWIJUHQ-SNVBAGLBSA-N 0 3 245.313 3.928 20 0 BHADHN Cc1cc([C@H](C)NCCCC(C)(F)F)oc1C ZINC000297292796 178247247 /nfs/dbraw/zinc/24/72/47/178247247.db2.gz LWZVCKFMZJKOGF-JTQLQIEISA-N 0 3 245.313 3.982 20 0 BHADHN Cc1cc([C@@H](C)NCCCC(C)(F)F)oc1C ZINC000297292802 178223917 /nfs/dbraw/zinc/22/39/17/178223917.db2.gz LWZVCKFMZJKOGF-SNVBAGLBSA-N 0 3 245.313 3.982 20 0 BHADHN CCc1ccc([C@@H](C)NCCC(C)(F)F)o1 ZINC000297353977 411481944 /nfs/dbraw/zinc/48/19/44/411481944.db2.gz PITBKSKBYNWTEX-SECBINFHSA-N 0 3 231.286 3.538 20 0 BHADHN CCc1ccc([C@H](C)NCCC(C)(F)F)o1 ZINC000297353981 411481853 /nfs/dbraw/zinc/48/18/53/411481853.db2.gz PITBKSKBYNWTEX-VIFPVBQESA-N 0 3 231.286 3.538 20 0 BHADHN CC[C@H](NCc1cccc(O)c1)c1ccsc1 ZINC000297895493 388433054 /nfs/dbraw/zinc/43/30/54/388433054.db2.gz VVGXIWWVMBLRKV-AWEZNQCLSA-N 0 3 247.363 3.695 20 0 BHADHN CC[C@@H](NCc1cccc(O)c1)c1ccsc1 ZINC000297895497 364788138 /nfs/dbraw/zinc/78/81/38/364788138.db2.gz VVGXIWWVMBLRKV-CQSZACIVSA-N 0 3 247.363 3.695 20 0 BHADHN CCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000298713947 169198266 /nfs/dbraw/zinc/19/82/66/169198266.db2.gz IKYRRMBSSUURMN-GFCCVEGCSA-N 0 3 246.379 3.843 20 0 BHADHN CCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000298713955 169199467 /nfs/dbraw/zinc/19/94/67/169199467.db2.gz IKYRRMBSSUURMN-LBPRGKRZSA-N 0 3 246.379 3.843 20 0 BHADHN CCCN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000298718931 169085787 /nfs/dbraw/zinc/08/57/87/169085787.db2.gz NDMPFUKEKBMWGS-JTQLQIEISA-N 0 3 234.368 3.699 20 0 BHADHN CCCN(C)[C@H](C)c1nc2ccccc2s1 ZINC000298718938 169087235 /nfs/dbraw/zinc/08/72/35/169087235.db2.gz NDMPFUKEKBMWGS-SNVBAGLBSA-N 0 3 234.368 3.699 20 0 BHADHN CCN(Cc1cc(-c2ccccc2)no1)C(C)C ZINC000298719060 352510843 /nfs/dbraw/zinc/51/08/43/352510843.db2.gz JPWORUHNGMQOCO-UHFFFAOYSA-N 0 3 244.338 3.572 20 0 BHADHN Cc1ccccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000298787006 179275279 /nfs/dbraw/zinc/27/52/79/179275279.db2.gz WBXKVSSCNLQGQK-INIZCTEOSA-N 0 3 240.350 3.660 20 0 BHADHN Cc1ccccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000298787012 179274589 /nfs/dbraw/zinc/27/45/89/179274589.db2.gz WBXKVSSCNLQGQK-MRXNPFEDSA-N 0 3 240.350 3.660 20 0 BHADHN CCN(CCc1ccccc1)CCC(F)(F)F ZINC000299463027 386455424 /nfs/dbraw/zinc/45/54/24/386455424.db2.gz CMMSMMYQDPMJEW-UHFFFAOYSA-N 0 3 245.288 3.503 20 0 BHADHN Cc1ccccc1CN(C)[C@@H](C)c1ccncc1 ZINC000299480470 179270690 /nfs/dbraw/zinc/27/06/90/179270690.db2.gz CNTYVAUJJAYRHX-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccccc1CN(C)[C@H](C)c1ccncc1 ZINC000299480471 179269722 /nfs/dbraw/zinc/26/97/22/179269722.db2.gz CNTYVAUJJAYRHX-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN CC(C)N(Cc1cc(-c2ccco2)on1)C(C)C ZINC000299729375 188397183 /nfs/dbraw/zinc/39/71/83/188397183.db2.gz WHDCNALRQFZOKU-UHFFFAOYSA-N 0 3 248.326 3.553 20 0 BHADHN Cc1nc([C@H](C)NC[C@H]2CCC[C@H]2C)cs1 ZINC000300243748 180049703 /nfs/dbraw/zinc/04/97/03/180049703.db2.gz UNZXIJGDLJMHDY-JFGNBEQYSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@H](C)NC[C@@H]2CCC[C@H]2C)cs1 ZINC000300243749 180048704 /nfs/dbraw/zinc/04/87/04/180048704.db2.gz UNZXIJGDLJMHDY-SCVCMEIPSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@H](C)NC[C@@H]2CC[C@H](C)C2)cs1 ZINC000300244076 180050017 /nfs/dbraw/zinc/05/00/17/180050017.db2.gz VZSISJJIKXDFKK-JBLDHEPKSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@H](C)NC[C@H]2CC[C@H](C)C2)cs1 ZINC000300244077 180049224 /nfs/dbraw/zinc/04/92/24/180049224.db2.gz VZSISJJIKXDFKK-NHCYSSNCSA-N 0 3 238.400 3.538 20 0 BHADHN CS[C@@H]1CCCC[C@H]1N[C@H](C)c1ccoc1 ZINC000300360220 346432090 /nfs/dbraw/zinc/43/20/90/346432090.db2.gz VGLIQSBCNTUGLQ-RAIGVLPGSA-N 0 3 239.384 3.604 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@H]2CC2(C)C)o1 ZINC000300404021 384760967 /nfs/dbraw/zinc/76/09/67/384760967.db2.gz SVTLSEJCSCBWRU-NQBHXWOUSA-N 0 3 233.355 3.539 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H]2CC2(C)C)o1 ZINC000300404022 384758385 /nfs/dbraw/zinc/75/83/85/384758385.db2.gz SVTLSEJCSCBWRU-WZRBSPASSA-N 0 3 233.355 3.539 20 0 BHADHN CCC[C@@H]1C[C@H]1N[C@H](CC)c1ccccc1OC ZINC000300414445 527868442 /nfs/dbraw/zinc/86/84/42/527868442.db2.gz LWLAYPBSIQOHPH-BPLDGKMQSA-N 0 3 247.382 3.925 20 0 BHADHN CCC[C@@H]1C[C@@H]1N[C@H](CC)c1ccccc1OC ZINC000300414446 527832059 /nfs/dbraw/zinc/83/20/59/527832059.db2.gz LWLAYPBSIQOHPH-YUELXQCFSA-N 0 3 247.382 3.925 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@H]1C)c1cccc(F)c1F ZINC000300415694 533986448 /nfs/dbraw/zinc/98/64/48/533986448.db2.gz YRKRFEPAMUPZTL-GBIKHYSHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CCC[C@H]1C)c1cccc(F)c1F ZINC000300415695 534003073 /nfs/dbraw/zinc/00/30/73/534003073.db2.gz YRKRFEPAMUPZTL-NRUUGDAUSA-N 0 3 239.309 3.804 20 0 BHADHN Cc1cnc([C@@H](C)NCCCC(C)(C)C)s1 ZINC000300770803 179646578 /nfs/dbraw/zinc/64/65/78/179646578.db2.gz GLYXBUCUPIYMAS-LLVKDONJSA-N 0 3 240.416 3.928 20 0 BHADHN Cc1cnc([C@H](C)NCCCC(C)(C)C)s1 ZINC000300770813 384880981 /nfs/dbraw/zinc/88/09/81/384880981.db2.gz GLYXBUCUPIYMAS-NSHDSACASA-N 0 3 240.416 3.928 20 0 BHADHN Cc1csc([C@@H](C)NCCCC(C)(C)C)n1 ZINC000300784680 384924220 /nfs/dbraw/zinc/92/42/20/384924220.db2.gz WHXFCHSDJZELTP-LLVKDONJSA-N 0 3 240.416 3.928 20 0 BHADHN Cc1csc([C@H](C)NCCCC(C)(C)C)n1 ZINC000300784683 384924439 /nfs/dbraw/zinc/92/44/39/384924439.db2.gz WHXFCHSDJZELTP-NSHDSACASA-N 0 3 240.416 3.928 20 0 BHADHN CC(C)(C)CCCNC(C)(C)c1nccs1 ZINC000300786424 384925279 /nfs/dbraw/zinc/92/52/79/384925279.db2.gz XSARSKKPBDKQCS-UHFFFAOYSA-N 0 3 240.416 3.794 20 0 BHADHN Cc1cnc([C@@H](C)NC[C@@H](C)CC(C)C)s1 ZINC000300866020 386628842 /nfs/dbraw/zinc/62/88/42/386628842.db2.gz HBKACMOLHQHCHW-CMPLNLGQSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1cnc([C@H](C)NC[C@@H](C)CC(C)C)s1 ZINC000300866021 386626958 /nfs/dbraw/zinc/62/69/58/386626958.db2.gz HBKACMOLHQHCHW-JQWIXIFHSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1cnc([C@H](C)NC[C@H](C)CC(C)C)s1 ZINC000300866022 385006963 /nfs/dbraw/zinc/00/69/63/385006963.db2.gz HBKACMOLHQHCHW-PWSUYJOCSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1cnc([C@@H](C)NC[C@H](C)CC(C)C)s1 ZINC000300866023 385006902 /nfs/dbraw/zinc/00/69/02/385006902.db2.gz HBKACMOLHQHCHW-ZYHUDNBSSA-N 0 3 240.416 3.784 20 0 BHADHN CC[C@H](NC[C@H](C)CC(C)C)c1nccs1 ZINC000300887265 529617730 /nfs/dbraw/zinc/61/77/30/529617730.db2.gz JMFPZPAVQRVHGR-NEPJUHHUSA-N 0 3 240.416 3.866 20 0 BHADHN CC[C@@H](NC[C@@H](C)CC(C)C)c1nccs1 ZINC000300887267 529172516 /nfs/dbraw/zinc/17/25/16/529172516.db2.gz JMFPZPAVQRVHGR-NWDGAFQWSA-N 0 3 240.416 3.866 20 0 BHADHN CC[C@H](NC[C@@H](C)CC(C)C)c1nccs1 ZINC000300887269 529609389 /nfs/dbraw/zinc/60/93/89/529609389.db2.gz JMFPZPAVQRVHGR-RYUDHWBXSA-N 0 3 240.416 3.866 20 0 BHADHN CC[C@@H](NC[C@H](C)CC(C)C)c1nccs1 ZINC000300887271 529177477 /nfs/dbraw/zinc/17/74/77/529177477.db2.gz JMFPZPAVQRVHGR-VXGBXAGGSA-N 0 3 240.416 3.866 20 0 BHADHN CC(C)C[C@@H](C)CNC(C)(C)c1nccs1 ZINC000300912234 528251348 /nfs/dbraw/zinc/25/13/48/528251348.db2.gz LYRRCKILSIPYDX-LLVKDONJSA-N 0 3 240.416 3.650 20 0 BHADHN CC(C)C[C@H](C)CNC(C)(C)c1nccs1 ZINC000300912243 528460629 /nfs/dbraw/zinc/46/06/29/528460629.db2.gz LYRRCKILSIPYDX-NSHDSACASA-N 0 3 240.416 3.650 20 0 BHADHN Cc1csc([C@@H](C)NC[C@@H](C)CC(C)C)n1 ZINC000301017517 387253139 /nfs/dbraw/zinc/25/31/39/387253139.db2.gz ZZMLCDPSVWDWNW-CMPLNLGQSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1csc([C@H](C)NC[C@@H](C)CC(C)C)n1 ZINC000301017518 387253360 /nfs/dbraw/zinc/25/33/60/387253360.db2.gz ZZMLCDPSVWDWNW-JQWIXIFHSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1csc([C@H](C)NC[C@H](C)CC(C)C)n1 ZINC000301017520 387253127 /nfs/dbraw/zinc/25/31/27/387253127.db2.gz ZZMLCDPSVWDWNW-PWSUYJOCSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1csc([C@@H](C)NC[C@H](C)CC(C)C)n1 ZINC000301017522 387253290 /nfs/dbraw/zinc/25/32/90/387253290.db2.gz ZZMLCDPSVWDWNW-ZYHUDNBSSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1cc(N2CCC[C@@H](C)C2)c2ccccc2n1 ZINC000301072723 132250697 /nfs/dbraw/zinc/25/06/97/132250697.db2.gz IAGUNXFXUGKUQD-GFCCVEGCSA-N 0 3 240.350 3.780 20 0 BHADHN Cc1cc(N2CCC[C@H](C)C2)c2ccccc2n1 ZINC000301072724 132251270 /nfs/dbraw/zinc/25/12/70/132251270.db2.gz IAGUNXFXUGKUQD-LBPRGKRZSA-N 0 3 240.350 3.780 20 0 BHADHN Cc1cc(N2CCC(C)(C)C2)c2ccccc2n1 ZINC000301456879 178112802 /nfs/dbraw/zinc/11/28/02/178112802.db2.gz HUQXQSAGRMQEPC-UHFFFAOYSA-N 0 3 240.350 3.780 20 0 BHADHN Cc1cc(N2C[C@H](C)[C@@H](C)C2)c2ccccc2n1 ZINC000301468162 178120682 /nfs/dbraw/zinc/12/06/82/178120682.db2.gz YUTXNEHJNKCLQD-RYUDHWBXSA-N 0 3 240.350 3.635 20 0 BHADHN Cc1cc(N2C[C@H](C)[C@H](C)C2)c2ccccc2n1 ZINC000301468163 178120509 /nfs/dbraw/zinc/12/05/09/178120509.db2.gz YUTXNEHJNKCLQD-TXEJJXNPSA-N 0 3 240.350 3.635 20 0 BHADHN Cc1cc(N2C[C@@H](C)[C@H](C)C2)c2ccccc2n1 ZINC000301468164 178120428 /nfs/dbraw/zinc/12/04/28/178120428.db2.gz YUTXNEHJNKCLQD-VXGBXAGGSA-N 0 3 240.350 3.635 20 0 BHADHN Cc1cc(N2CC[C@H](C)[C@@H]2C)c2ccccc2n1 ZINC000301495835 178119645 /nfs/dbraw/zinc/11/96/45/178119645.db2.gz SXUBKGFOQXCXEY-AAEUAGOBSA-N 0 3 240.350 3.778 20 0 BHADHN Cc1cc(N2CC[C@@H](C)[C@H]2C)c2ccccc2n1 ZINC000301495836 178117454 /nfs/dbraw/zinc/11/74/54/178117454.db2.gz SXUBKGFOQXCXEY-DGCLKSJQSA-N 0 3 240.350 3.778 20 0 BHADHN Cc1cc(N2CC[C@H](C)[C@H]2C)c2ccccc2n1 ZINC000301495837 178120058 /nfs/dbraw/zinc/12/00/58/178120058.db2.gz SXUBKGFOQXCXEY-WCQYABFASA-N 0 3 240.350 3.778 20 0 BHADHN Cc1cc(N2CC[C@@H](C)[C@@H]2C)c2ccccc2n1 ZINC000301495838 178117995 /nfs/dbraw/zinc/11/79/95/178117995.db2.gz SXUBKGFOQXCXEY-YPMHNXCESA-N 0 3 240.350 3.778 20 0 BHADHN CC[C@@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000301566937 171014183 /nfs/dbraw/zinc/01/41/83/171014183.db2.gz MOQZLIBZDZOTIF-CYBMUJFWSA-N 0 3 240.350 3.780 20 0 BHADHN CC[C@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000301566938 171633109 /nfs/dbraw/zinc/63/31/09/171633109.db2.gz MOQZLIBZDZOTIF-ZDUSSCGKSA-N 0 3 240.350 3.780 20 0 BHADHN CSc1ccc(CN2CCC[C@H](C)C2)cc1 ZINC000301604316 387263152 /nfs/dbraw/zinc/26/31/52/387263152.db2.gz GHPTYCMCZGBONH-LBPRGKRZSA-N 0 3 235.396 3.640 20 0 BHADHN CC[C@@H]1CCCCN1Cc1ccccc1F ZINC000301604647 369379120 /nfs/dbraw/zinc/37/91/20/369379120.db2.gz IJGSVXDZYBVULK-CYBMUJFWSA-N 0 3 221.319 3.590 20 0 BHADHN CCSCCCNCc1cc2ccccc2o1 ZINC000301771433 385410883 /nfs/dbraw/zinc/41/08/83/385410883.db2.gz RTBQNBVUNYFZTJ-UHFFFAOYSA-N 0 3 249.379 3.666 20 0 BHADHN CCc1cc(N2CC[C@@H](C)C2)c2ccccc2n1 ZINC000301786052 386877910 /nfs/dbraw/zinc/87/79/10/386877910.db2.gz LFNAESOSIAXGQA-GFCCVEGCSA-N 0 3 240.350 3.643 20 0 BHADHN CCc1cc(N2CC[C@H](C)C2)c2ccccc2n1 ZINC000301786053 386877525 /nfs/dbraw/zinc/87/75/25/386877525.db2.gz LFNAESOSIAXGQA-LBPRGKRZSA-N 0 3 240.350 3.643 20 0 BHADHN CCCc1cc(N2CCCC2)c2ccccc2n1 ZINC000301786364 386877904 /nfs/dbraw/zinc/87/79/04/386877904.db2.gz LXLGESNJIKAHLF-UHFFFAOYSA-N 0 3 240.350 3.788 20 0 BHADHN CCc1cc(NCCSC)c2ccccc2n1 ZINC000301859000 386887401 /nfs/dbraw/zinc/88/74/01/386887401.db2.gz SJXJJHZTWUACGM-UHFFFAOYSA-N 0 3 246.379 3.572 20 0 BHADHN Cc1noc(C)c1[C@H](C)NCCCC(C)(C)C ZINC000301942575 490588190 /nfs/dbraw/zinc/58/81/90/490588190.db2.gz BZGMODLZBIVEFW-JTQLQIEISA-N 0 3 238.375 3.768 20 0 BHADHN Cc1noc(C)c1[C@@H](C)NCCCC(C)(C)C ZINC000301942578 490587832 /nfs/dbraw/zinc/58/78/32/490587832.db2.gz BZGMODLZBIVEFW-SNVBAGLBSA-N 0 3 238.375 3.768 20 0 BHADHN CCc1c(C)nc2ccccc2c1N1CCCC1 ZINC000302069773 386902167 /nfs/dbraw/zinc/90/21/67/386902167.db2.gz VLARIWAVVKYYFJ-UHFFFAOYSA-N 0 3 240.350 3.706 20 0 BHADHN Cc1nc2ccccc2c(N2CCCCC2)c1C ZINC000302092552 132259891 /nfs/dbraw/zinc/25/98/91/132259891.db2.gz QEKQSAFEIRHIJE-UHFFFAOYSA-N 0 3 240.350 3.842 20 0 BHADHN CC[C@@H](C)Nc1ccnc2ccc(C)cc21 ZINC000302137491 384955673 /nfs/dbraw/zinc/95/56/73/384955673.db2.gz BUXDZJXVVXEZOM-LLVKDONJSA-N 0 3 214.312 3.754 20 0 BHADHN CC[C@H](C)Nc1ccnc2ccc(C)cc21 ZINC000302137492 171350799 /nfs/dbraw/zinc/35/07/99/171350799.db2.gz BUXDZJXVVXEZOM-NSHDSACASA-N 0 3 214.312 3.754 20 0 BHADHN CSCCCNc1ccnc2ccc(C)cc21 ZINC000302137522 386905995 /nfs/dbraw/zinc/90/59/95/386905995.db2.gz BWMRIDNGLTZWDV-UHFFFAOYSA-N 0 3 246.379 3.708 20 0 BHADHN CC[C@@H]1CCN(c2ccnc3ccc(C)cc32)C1 ZINC000302150472 171013373 /nfs/dbraw/zinc/01/33/73/171013373.db2.gz KCJRVNQEBRTUTN-CYBMUJFWSA-N 0 3 240.350 3.780 20 0 BHADHN CC[C@H]1CCN(c2ccnc3ccc(C)cc32)C1 ZINC000302150473 386906494 /nfs/dbraw/zinc/90/64/94/386906494.db2.gz KCJRVNQEBRTUTN-ZDUSSCGKSA-N 0 3 240.350 3.780 20 0 BHADHN Cc1ccc2nccc(N(C)C3CCC3)c2c1 ZINC000302150860 386909696 /nfs/dbraw/zinc/90/96/96/386909696.db2.gz KIPOAQTVMUQNFX-UHFFFAOYSA-N 0 3 226.323 3.532 20 0 BHADHN Cc1ccc2nccc(N3CCCC[C@H]3C)c2c1 ZINC000302151929 132260886 /nfs/dbraw/zinc/26/08/86/132260886.db2.gz KWJXMQRVZACIQI-CYBMUJFWSA-N 0 3 240.350 3.922 20 0 BHADHN Cc1ccc2nccc(N3CCCC[C@@H]3C)c2c1 ZINC000302151931 132261176 /nfs/dbraw/zinc/26/11/76/132261176.db2.gz KWJXMQRVZACIQI-ZDUSSCGKSA-N 0 3 240.350 3.922 20 0 BHADHN Cc1ccc2nccc(N3CCCCC3)c2c1 ZINC000302151946 132224645 /nfs/dbraw/zinc/22/46/45/132224645.db2.gz KWTCTGBUEMUOOO-UHFFFAOYSA-N 0 3 226.323 3.534 20 0 BHADHN CSC[C@@H](C)Nc1ccnc2ccc(C)cc21 ZINC000302153902 386909202 /nfs/dbraw/zinc/90/92/02/386909202.db2.gz LSXFPMXQQIEQAQ-LLVKDONJSA-N 0 3 246.379 3.707 20 0 BHADHN CSC[C@H](C)Nc1ccnc2ccc(C)cc21 ZINC000302153903 175525621 /nfs/dbraw/zinc/52/56/21/175525621.db2.gz LSXFPMXQQIEQAQ-NSHDSACASA-N 0 3 246.379 3.707 20 0 BHADHN Cc1ccc2nccc(N3CCC[C@@H](C)C3)c2c1 ZINC000302155372 132224467 /nfs/dbraw/zinc/22/44/67/132224467.db2.gz MIZWFDRZHSGXIY-CYBMUJFWSA-N 0 3 240.350 3.780 20 0 BHADHN Cc1ccc2nccc(N3CCC[C@H](C)C3)c2c1 ZINC000302155374 132260988 /nfs/dbraw/zinc/26/09/88/132260988.db2.gz MIZWFDRZHSGXIY-ZDUSSCGKSA-N 0 3 240.350 3.780 20 0 BHADHN Cc1ccc2nccc(NCc3cccnc3)c2c1 ZINC000302158309 386908700 /nfs/dbraw/zinc/90/87/00/386908700.db2.gz NTASEMUZTKVIMO-UHFFFAOYSA-N 0 3 249.317 3.550 20 0 BHADHN Cc1ccc2nccc(NCc3ccco3)c2c1 ZINC000302159475 386909534 /nfs/dbraw/zinc/90/95/34/386909534.db2.gz OIRWSIIVNFGCCZ-UHFFFAOYSA-N 0 3 238.290 3.748 20 0 BHADHN Cc1ccc2nccc(N3CCC(C)(C)C3)c2c1 ZINC000302159581 386909543 /nfs/dbraw/zinc/90/95/43/386909543.db2.gz OOWBKJVCPLABHZ-UHFFFAOYSA-N 0 3 240.350 3.780 20 0 BHADHN Cc1ccc2nccc(N3CCCCCC3)c2c1 ZINC000302164206 386908157 /nfs/dbraw/zinc/90/81/57/386908157.db2.gz QOIPSVWJYVGFOS-UHFFFAOYSA-N 0 3 240.350 3.924 20 0 BHADHN Cc1ccc2nccc(NCc3ccccn3)c2c1 ZINC000302171427 386911447 /nfs/dbraw/zinc/91/14/47/386911447.db2.gz UXPISIIQTQSJGU-UHFFFAOYSA-N 0 3 249.317 3.550 20 0 BHADHN Cc1ccc2nccc(NCC(C)C)c2c1 ZINC000302174347 384978398 /nfs/dbraw/zinc/97/83/98/384978398.db2.gz WITQVANIXQCIMS-UHFFFAOYSA-N 0 3 214.312 3.611 20 0 BHADHN Cc1ccc2nccc(N3CC[C@@H](C)[C@H]3C)c2c1 ZINC000302178375 386910569 /nfs/dbraw/zinc/91/05/69/386910569.db2.gz YBXVXDULNITERE-CHWSQXEVSA-N 0 3 240.350 3.778 20 0 BHADHN Cc1ccc2nccc(N3CC[C@@H](C)[C@@H]3C)c2c1 ZINC000302178376 386911012 /nfs/dbraw/zinc/91/10/12/386911012.db2.gz YBXVXDULNITERE-OLZOCXBDSA-N 0 3 240.350 3.778 20 0 BHADHN Cc1ccc2nccc(N3CC[C@H](C)[C@H]3C)c2c1 ZINC000302178379 386910408 /nfs/dbraw/zinc/91/04/08/386910408.db2.gz YBXVXDULNITERE-QWHCGFSZSA-N 0 3 240.350 3.778 20 0 BHADHN Cc1ccc2nccc(N3CC[C@H](C)[C@@H]3C)c2c1 ZINC000302178381 386910628 /nfs/dbraw/zinc/91/06/28/386910628.db2.gz YBXVXDULNITERE-STQMWFEESA-N 0 3 240.350 3.778 20 0 BHADHN Cc1ccc2nccc(NC3CCCC3)c2c1 ZINC000302178930 178982655 /nfs/dbraw/zinc/98/26/55/178982655.db2.gz YJJYNVYXIDZOTJ-UHFFFAOYSA-N 0 3 226.323 3.898 20 0 BHADHN Cc1ccc2nccc(N3CCC(C)CC3)c2c1 ZINC000302180075 132261441 /nfs/dbraw/zinc/26/14/41/132261441.db2.gz ZCQYBMVZAGLZQA-UHFFFAOYSA-N 0 3 240.350 3.780 20 0 BHADHN Cc1ccc2nccc(NC3CC=CC3)c2c1 ZINC000302213978 386915541 /nfs/dbraw/zinc/91/55/41/386915541.db2.gz IAWUQDGMZLEMON-UHFFFAOYSA-N 0 3 224.307 3.674 20 0 BHADHN Cc1ccc2nccc(N3[C@H](C)CC[C@@H]3C)c2c1 ZINC000302232814 386916841 /nfs/dbraw/zinc/91/68/41/386916841.db2.gz SQNPTCDJNRZIJM-BETUJISGSA-N 0 3 240.350 3.920 20 0 BHADHN Cc1ccc2nccc(N3[C@H](C)CC[C@H]3C)c2c1 ZINC000302232817 386917611 /nfs/dbraw/zinc/91/76/11/386917611.db2.gz SQNPTCDJNRZIJM-CHWSQXEVSA-N 0 3 240.350 3.920 20 0 BHADHN Cc1ccc2nccc(N3[C@@H](C)CC[C@@H]3C)c2c1 ZINC000302232818 386917227 /nfs/dbraw/zinc/91/72/27/386917227.db2.gz SQNPTCDJNRZIJM-STQMWFEESA-N 0 3 240.350 3.920 20 0 BHADHN Cc1cccc(CN[C@H](C)CCC(C)(C)C)n1 ZINC000302526663 323025587 /nfs/dbraw/zinc/02/55/87/323025587.db2.gz QGCWFSXBIWMTRL-GFCCVEGCSA-N 0 3 234.387 3.694 20 0 BHADHN Cc1cccc(CN[C@@H](C)CCC(C)(C)C)n1 ZINC000302526664 323025512 /nfs/dbraw/zinc/02/55/12/323025512.db2.gz QGCWFSXBIWMTRL-LBPRGKRZSA-N 0 3 234.387 3.694 20 0 BHADHN Cc1noc(C)c1CN[C@@H](C)CCC(C)(C)C ZINC000302555810 385536492 /nfs/dbraw/zinc/53/64/92/385536492.db2.gz WSNFJUOAGPNQSR-JTQLQIEISA-N 0 3 238.375 3.596 20 0 BHADHN Cc1noc(C)c1CN[C@H](C)CCC(C)(C)C ZINC000302555812 385536382 /nfs/dbraw/zinc/53/63/82/385536382.db2.gz WSNFJUOAGPNQSR-SNVBAGLBSA-N 0 3 238.375 3.596 20 0 BHADHN Cc1cccc(CN(C)Cc2cccc(F)c2)c1 ZINC000302734812 356625878 /nfs/dbraw/zinc/62/58/78/356625878.db2.gz BTALTSQSPMGTIG-UHFFFAOYSA-N 0 3 243.325 3.766 20 0 BHADHN Cc1cccc(CN(C)Cc2ccc(F)cc2)c1 ZINC000302740208 229285185 /nfs/dbraw/zinc/28/51/85/229285185.db2.gz JSBNEDKEWFCVTL-UHFFFAOYSA-N 0 3 243.325 3.766 20 0 BHADHN COc1ccc([C@@H]2CCCN2CC=C(C)C)cc1 ZINC000302741306 388848642 /nfs/dbraw/zinc/84/86/42/388848642.db2.gz AMJRMKZRBWGBNR-INIZCTEOSA-N 0 3 245.366 3.798 20 0 BHADHN COc1ccc([C@H]2CCCN2CC=C(C)C)cc1 ZINC000302741307 388848045 /nfs/dbraw/zinc/84/80/45/388848045.db2.gz AMJRMKZRBWGBNR-MRXNPFEDSA-N 0 3 245.366 3.798 20 0 BHADHN CCN(Cc1ccc(Cl)s1)C(C)C ZINC000302742789 346610029 /nfs/dbraw/zinc/61/00/29/346610029.db2.gz MGFOTMAONPLXKM-UHFFFAOYSA-N 0 3 217.765 3.632 20 0 BHADHN CCCCN(C)Cc1cc(Cl)ccc1OC ZINC000302745652 356625721 /nfs/dbraw/zinc/62/57/21/356625721.db2.gz PRNCNRQJUXHQNO-UHFFFAOYSA-N 0 3 241.762 3.581 20 0 BHADHN CCN(Cc1cccs1)Cc1ccc(F)cc1 ZINC000302749549 528854364 /nfs/dbraw/zinc/85/43/64/528854364.db2.gz VMXWIJBRDSJWNX-UHFFFAOYSA-N 0 3 249.354 3.909 20 0 BHADHN COc1ccccc1CN(C)CC1CCCCC1 ZINC000302832153 534059583 /nfs/dbraw/zinc/05/95/83/534059583.db2.gz FRBYHQHVZCNXRO-UHFFFAOYSA-N 0 3 247.382 3.707 20 0 BHADHN CCCCCCN(C)Cc1ccccc1F ZINC000302832355 644787367 /nfs/dbraw/zinc/78/73/67/644787367.db2.gz HJKNUVSWXZEGCH-UHFFFAOYSA-N 0 3 223.335 3.838 20 0 BHADHN CCCCCN(C)Cc1ccccc1Cl ZINC000302832499 490605062 /nfs/dbraw/zinc/60/50/62/490605062.db2.gz IREOYMIXCOHXEY-UHFFFAOYSA-N 0 3 225.763 3.962 20 0 BHADHN CC(C)CCN(C)Cc1ccccc1Cl ZINC000302833562 490604314 /nfs/dbraw/zinc/60/43/14/490604314.db2.gz OXKQZQMXTQHDDJ-UHFFFAOYSA-N 0 3 225.763 3.818 20 0 BHADHN CN(Cc1cccc(F)c1F)C1CCCCC1 ZINC000302836137 529995212 /nfs/dbraw/zinc/99/52/12/529995212.db2.gz DWSRDLUJTGJZSX-UHFFFAOYSA-N 0 3 239.309 3.729 20 0 BHADHN Fc1cccc(CN2CCCCCCC2)c1F ZINC000302836906 636298746 /nfs/dbraw/zinc/29/87/46/636298746.db2.gz JKJWRGXEMMUDEX-UHFFFAOYSA-N 0 3 239.309 3.731 20 0 BHADHN CN(CCc1ccccc1)Cc1ccccc1F ZINC000302838913 388849850 /nfs/dbraw/zinc/84/98/50/388849850.db2.gz UAZQDTSDCRECLT-UHFFFAOYSA-N 0 3 243.325 3.500 20 0 BHADHN CN(Cc1ccccc1F)CC1CCCCC1 ZINC000302839216 490606768 /nfs/dbraw/zinc/60/67/68/490606768.db2.gz VPUPVMNOXZOJSH-UHFFFAOYSA-N 0 3 235.346 3.838 20 0 BHADHN CN(Cc1ccc(F)cc1Cl)C1CCCC1 ZINC000302874604 529988184 /nfs/dbraw/zinc/98/81/84/529988184.db2.gz FCUXKBDJNJRSJI-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CCCCN(C)[C@@H](C)c1ccc(F)cc1F ZINC000303048819 323156045 /nfs/dbraw/zinc/15/60/45/323156045.db2.gz XSLVBLHHSZIADM-JTQLQIEISA-N 0 3 227.298 3.758 20 0 BHADHN CCCCN(C)[C@H](C)c1ccc(F)cc1F ZINC000303048820 323155969 /nfs/dbraw/zinc/15/59/69/323155969.db2.gz XSLVBLHHSZIADM-SNVBAGLBSA-N 0 3 227.298 3.758 20 0 BHADHN CC[C@@H](C)CN(C)[C@@H](C)c1ccccc1F ZINC000303492931 529314554 /nfs/dbraw/zinc/31/45/54/529314554.db2.gz SNMOXPAGKZYMDJ-NEPJUHHUSA-N 0 3 223.335 3.865 20 0 BHADHN CC[C@H](C)CN(C)[C@H](C)c1ccccc1F ZINC000303492937 529651596 /nfs/dbraw/zinc/65/15/96/529651596.db2.gz SNMOXPAGKZYMDJ-NWDGAFQWSA-N 0 3 223.335 3.865 20 0 BHADHN CC[C@H](C)CN(C)[C@@H](C)c1ccccc1F ZINC000303492944 529651735 /nfs/dbraw/zinc/65/17/35/529651735.db2.gz SNMOXPAGKZYMDJ-RYUDHWBXSA-N 0 3 223.335 3.865 20 0 BHADHN CC[C@@H](C)CN(C)[C@H](C)c1ccccc1F ZINC000303492951 529314820 /nfs/dbraw/zinc/31/48/20/529314820.db2.gz SNMOXPAGKZYMDJ-VXGBXAGGSA-N 0 3 223.335 3.865 20 0 BHADHN CC[C@H](C)CN(C)Cc1ccc(F)cc1Cl ZINC000303513064 350125478 /nfs/dbraw/zinc/12/54/78/350125478.db2.gz XHWKBQGYDXNELF-JTQLQIEISA-N 0 3 243.753 3.957 20 0 BHADHN CC[C@@H](C)CN(C)Cc1ccc(F)cc1Cl ZINC000303513065 350124768 /nfs/dbraw/zinc/12/47/68/350124768.db2.gz XHWKBQGYDXNELF-SNVBAGLBSA-N 0 3 243.753 3.957 20 0 BHADHN CC(C)Cc1ccc([C@@H](C)NCCF)cc1 ZINC000303519977 528654719 /nfs/dbraw/zinc/65/47/19/528654719.db2.gz DCEKYDOZQQNMSW-GFCCVEGCSA-N 0 3 223.335 3.505 20 0 BHADHN CC(C)Cc1ccc([C@H](C)NCCF)cc1 ZINC000303519978 528657939 /nfs/dbraw/zinc/65/79/39/528657939.db2.gz DCEKYDOZQQNMSW-LBPRGKRZSA-N 0 3 223.335 3.505 20 0 BHADHN C[C@@H](NCCF)c1ccc(C(C)(C)C)cc1 ZINC000303520035 533392298 /nfs/dbraw/zinc/39/22/98/533392298.db2.gz IWBPDZNFYKDVQO-LLVKDONJSA-N 0 3 223.335 3.604 20 0 BHADHN C[C@H](NCCF)c1ccc(C(C)(C)C)cc1 ZINC000303520037 533853992 /nfs/dbraw/zinc/85/39/92/533853992.db2.gz IWBPDZNFYKDVQO-NSHDSACASA-N 0 3 223.335 3.604 20 0 BHADHN CC(C)(C)C[C@@H](NCCF)c1ccccc1 ZINC000303520669 387373564 /nfs/dbraw/zinc/37/35/64/387373564.db2.gz VMSUGBQUYZPGFS-CYBMUJFWSA-N 0 3 223.335 3.723 20 0 BHADHN CC(C)(C)C[C@H](NCCF)c1ccccc1 ZINC000303520672 387373676 /nfs/dbraw/zinc/37/36/76/387373676.db2.gz VMSUGBQUYZPGFS-ZDUSSCGKSA-N 0 3 223.335 3.723 20 0 BHADHN CCCCC[C@H](NCCF)c1ccccc1 ZINC000303520685 644829751 /nfs/dbraw/zinc/82/97/51/644829751.db2.gz XCFJAFCJIFHRHW-AWEZNQCLSA-N 0 3 223.335 3.867 20 0 BHADHN CCCCC[C@@H](NCCF)c1ccccc1 ZINC000303520687 644831163 /nfs/dbraw/zinc/83/11/63/644831163.db2.gz XCFJAFCJIFHRHW-CQSZACIVSA-N 0 3 223.335 3.867 20 0 BHADHN CCCCCN(C)Cc1ccccc1OCC ZINC000303673254 369431903 /nfs/dbraw/zinc/43/19/03/369431903.db2.gz GZKXFGPUQWYWIX-UHFFFAOYSA-N 0 3 235.371 3.707 20 0 BHADHN C[C@@]1(c2ccccc2)CCCN(C/C=C/Cl)C1 ZINC000303675887 644834564 /nfs/dbraw/zinc/83/45/64/644834564.db2.gz XYAJKLKZIVRVMC-WCLQSUPFSA-N 0 3 249.785 3.793 20 0 BHADHN C[C@]1(c2ccccc2)CCCN(C/C=C/Cl)C1 ZINC000303675888 644835558 /nfs/dbraw/zinc/83/55/58/644835558.db2.gz XYAJKLKZIVRVMC-WGPYJDKQSA-N 0 3 249.785 3.793 20 0 BHADHN C[C@@H]1SCCN(C/C=C/c2ccccc2)[C@H]1C ZINC000303701640 323328714 /nfs/dbraw/zinc/32/87/14/323328714.db2.gz ODCYVCSUMKKUAC-HXUSNMGPSA-N 0 3 247.407 3.526 20 0 BHADHN C[C@@H]1[C@H](C)SCCN1C/C=C/c1ccccc1 ZINC000303701642 323328310 /nfs/dbraw/zinc/32/83/10/323328310.db2.gz ODCYVCSUMKKUAC-VVYAQTJFSA-N 0 3 247.407 3.526 20 0 BHADHN Cc1ccc(C[C@H](C)N(C)C/C=C/Cl)cc1 ZINC000303806655 644849208 /nfs/dbraw/zinc/84/92/08/644849208.db2.gz MQLUWHYRMSRMPA-FAFAAHBOSA-N 0 3 237.774 3.610 20 0 BHADHN Cc1ccc(C[C@@H](C)N(C)C/C=C/Cl)cc1 ZINC000303806656 644849330 /nfs/dbraw/zinc/84/93/30/644849330.db2.gz MQLUWHYRMSRMPA-QGQQYVBWSA-N 0 3 237.774 3.610 20 0 BHADHN C[C@H](c1ccco1)N(C)CCC1CCCC1 ZINC000303849734 369440033 /nfs/dbraw/zinc/44/00/33/369440033.db2.gz DIHXQILGPACMHG-GFCCVEGCSA-N 0 3 221.344 3.853 20 0 BHADHN C[C@@H](c1ccco1)N(C)CCC1CCCC1 ZINC000303849735 369440175 /nfs/dbraw/zinc/44/01/75/369440175.db2.gz DIHXQILGPACMHG-LBPRGKRZSA-N 0 3 221.344 3.853 20 0 BHADHN CN(CCC1CCCC1)Cc1ccccc1F ZINC000303948507 411312971 /nfs/dbraw/zinc/31/29/71/411312971.db2.gz VBHCBWPBLPWZRS-UHFFFAOYSA-N 0 3 235.346 3.838 20 0 BHADHN CCCCc1ccc([C@@H](C)NCCF)cc1 ZINC000304132718 529027504 /nfs/dbraw/zinc/02/75/04/529027504.db2.gz ZSWYHIUAUJLVAB-GFCCVEGCSA-N 0 3 223.335 3.649 20 0 BHADHN CCCCc1ccc([C@H](C)NCCF)cc1 ZINC000304132721 529028028 /nfs/dbraw/zinc/02/80/28/529028028.db2.gz ZSWYHIUAUJLVAB-LBPRGKRZSA-N 0 3 223.335 3.649 20 0 BHADHN CC(C)SCCN[C@H](C)c1ccc(F)cc1 ZINC000304246869 167332068 /nfs/dbraw/zinc/33/20/68/167332068.db2.gz FYGUXWRSAYADNM-LLVKDONJSA-N 0 3 241.375 3.618 20 0 BHADHN CC(C)SCCN[C@@H](C)c1ccc(F)cc1 ZINC000304246870 167332385 /nfs/dbraw/zinc/33/23/85/167332385.db2.gz FYGUXWRSAYADNM-NSHDSACASA-N 0 3 241.375 3.618 20 0 BHADHN CC[C@@H](NC[C@@H](C)C(C)(C)C)c1nccs1 ZINC000304265512 487484114 /nfs/dbraw/zinc/48/41/14/487484114.db2.gz JURIXEPXVZLFCB-GHMZBOCLSA-N 0 3 240.416 3.866 20 0 BHADHN CC[C@H](NC[C@@H](C)C(C)(C)C)c1nccs1 ZINC000304265514 487484938 /nfs/dbraw/zinc/48/49/38/487484938.db2.gz JURIXEPXVZLFCB-MNOVXSKESA-N 0 3 240.416 3.866 20 0 BHADHN CC[C@H](NC[C@H](C)C(C)(C)C)c1nccs1 ZINC000304265516 487484462 /nfs/dbraw/zinc/48/44/62/487484462.db2.gz JURIXEPXVZLFCB-QWRGUYRKSA-N 0 3 240.416 3.866 20 0 BHADHN CC[C@@H](NC[C@H](C)C(C)(C)C)c1nccs1 ZINC000304265518 487484799 /nfs/dbraw/zinc/48/47/99/487484799.db2.gz JURIXEPXVZLFCB-WDEREUQCSA-N 0 3 240.416 3.866 20 0 BHADHN CC(C)SCCN[C@H](C)c1ccccc1F ZINC000304278378 167331786 /nfs/dbraw/zinc/33/17/86/167331786.db2.gz LUUKMACSVUUVFE-LLVKDONJSA-N 0 3 241.375 3.618 20 0 BHADHN CC(C)SCCN[C@@H](C)c1ccccc1F ZINC000304278382 167332473 /nfs/dbraw/zinc/33/24/73/167332473.db2.gz LUUKMACSVUUVFE-NSHDSACASA-N 0 3 241.375 3.618 20 0 BHADHN CC(C)SCCN[C@H](C)c1cccc(F)c1 ZINC000304279243 167332897 /nfs/dbraw/zinc/33/28/97/167332897.db2.gz LXJREYYSRLERNV-LLVKDONJSA-N 0 3 241.375 3.618 20 0 BHADHN CC(C)SCCN[C@@H](C)c1cccc(F)c1 ZINC000304279244 167332397 /nfs/dbraw/zinc/33/23/97/167332397.db2.gz LXJREYYSRLERNV-NSHDSACASA-N 0 3 241.375 3.618 20 0 BHADHN Cc1csc([C@@H](C)NC[C@H](C)C(C)(C)C)n1 ZINC000304325831 487845185 /nfs/dbraw/zinc/84/51/85/487845185.db2.gz SXMRVFNHRDXEOY-GXSJLCMTSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1csc([C@H](C)NC[C@@H](C)C(C)(C)C)n1 ZINC000304325833 487589158 /nfs/dbraw/zinc/58/91/58/487589158.db2.gz SXMRVFNHRDXEOY-KOLCDFICSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1csc([C@@H](C)NC[C@@H](C)C(C)(C)C)n1 ZINC000304325834 487589077 /nfs/dbraw/zinc/58/90/77/487589077.db2.gz SXMRVFNHRDXEOY-MWLCHTKSSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1csc([C@H](C)NC[C@H](C)C(C)(C)C)n1 ZINC000304325836 487589136 /nfs/dbraw/zinc/58/91/36/487589136.db2.gz SXMRVFNHRDXEOY-ONGXEEELSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1cnc([C@@H](C)NC[C@H](C)C(C)(C)C)s1 ZINC000304357217 487488556 /nfs/dbraw/zinc/48/85/56/487488556.db2.gz YBJIBOINYZGBTN-GXSJLCMTSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1cnc([C@H](C)NC[C@@H](C)C(C)(C)C)s1 ZINC000304357220 487488268 /nfs/dbraw/zinc/48/82/68/487488268.db2.gz YBJIBOINYZGBTN-KOLCDFICSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1cnc([C@@H](C)NC[C@@H](C)C(C)(C)C)s1 ZINC000304357223 487488377 /nfs/dbraw/zinc/48/83/77/487488377.db2.gz YBJIBOINYZGBTN-MWLCHTKSSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1cnc([C@H](C)NC[C@H](C)C(C)(C)C)s1 ZINC000304357226 487488651 /nfs/dbraw/zinc/48/86/51/487488651.db2.gz YBJIBOINYZGBTN-ONGXEEELSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1cc([C@@H](C)NCCSC(C)C)c(C)o1 ZINC000304364884 178224156 /nfs/dbraw/zinc/22/41/56/178224156.db2.gz ZEWJDCHRIHRSQT-LLVKDONJSA-N 0 3 241.400 3.689 20 0 BHADHN Cc1cc([C@H](C)NCCSC(C)C)c(C)o1 ZINC000304364885 178248158 /nfs/dbraw/zinc/24/81/58/178248158.db2.gz ZEWJDCHRIHRSQT-NSHDSACASA-N 0 3 241.400 3.689 20 0 BHADHN Cc1csc([C@@H](C)NC(C(C)C)C(C)C)n1 ZINC000304400757 371788169 /nfs/dbraw/zinc/78/81/69/371788169.db2.gz BHQFPDKIVYQNFK-LLVKDONJSA-N 0 3 240.416 3.783 20 0 BHADHN Cc1csc([C@H](C)NC(C(C)C)C(C)C)n1 ZINC000304400759 371787382 /nfs/dbraw/zinc/78/73/82/371787382.db2.gz BHQFPDKIVYQNFK-NSHDSACASA-N 0 3 240.416 3.783 20 0 BHADHN Cc1cnc(CN[C@@H](C)CCC(C)(C)C)s1 ZINC000304418309 387476309 /nfs/dbraw/zinc/47/63/09/387476309.db2.gz QQUYJSOGMINQCF-JTQLQIEISA-N 0 3 240.416 3.756 20 0 BHADHN Cc1cnc(CN[C@H](C)CCC(C)(C)C)s1 ZINC000304418312 387475332 /nfs/dbraw/zinc/47/53/32/387475332.db2.gz QQUYJSOGMINQCF-SNVBAGLBSA-N 0 3 240.416 3.756 20 0 BHADHN FCCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000305141288 229365556 /nfs/dbraw/zinc/36/55/56/229365556.db2.gz YPFJKXXDKFJASC-INIZCTEOSA-N 0 3 243.325 3.530 20 0 BHADHN FCCN[C@H](Cc1ccccc1)c1ccccc1 ZINC000305141292 229365597 /nfs/dbraw/zinc/36/55/97/229365597.db2.gz YPFJKXXDKFJASC-MRXNPFEDSA-N 0 3 243.325 3.530 20 0 BHADHN CCSCCCNc1ccnc2ccccc21 ZINC000305961647 384444075 /nfs/dbraw/zinc/44/40/75/384444075.db2.gz FLNXSLRXMASLJH-UHFFFAOYSA-N 0 3 246.379 3.790 20 0 BHADHN CC1(NCc2cscc2Cl)CCCC1 ZINC000306150406 491118357 /nfs/dbraw/zinc/11/83/57/491118357.db2.gz BDMJPCQNHWEZCG-UHFFFAOYSA-N 0 3 229.776 3.824 20 0 BHADHN CCC[C@H](C)N1CCC(C)=C(Br)C1 ZINC000306185194 635958329 /nfs/dbraw/zinc/95/83/29/635958329.db2.gz MNEBPIZWFKUUND-JTQLQIEISA-N 0 3 246.192 3.550 20 0 BHADHN CCC[C@@H](C)N1CCC(C)=C(Br)C1 ZINC000306185199 635958524 /nfs/dbraw/zinc/95/85/24/635958524.db2.gz MNEBPIZWFKUUND-SNVBAGLBSA-N 0 3 246.192 3.550 20 0 BHADHN CC(C)(CC(F)(F)F)NCc1ccccc1 ZINC000306189291 490629916 /nfs/dbraw/zinc/62/99/16/490629916.db2.gz CVZOFCCZXLGKAP-UHFFFAOYSA-N 0 3 231.261 3.507 20 0 BHADHN CC1(NCc2sccc2Cl)CCCC1 ZINC000306222077 537834184 /nfs/dbraw/zinc/83/41/84/537834184.db2.gz VOGNATDWUCVHJE-UHFFFAOYSA-N 0 3 229.776 3.824 20 0 BHADHN CC1(C)CC[C@H]1NCc1ccsc1Cl ZINC000306279403 191084813 /nfs/dbraw/zinc/08/48/13/191084813.db2.gz YSEXPPQFNDGTLE-SECBINFHSA-N 0 3 229.776 3.680 20 0 BHADHN CC1(C)CC[C@@H]1NCc1ccsc1Cl ZINC000306279405 345145108 /nfs/dbraw/zinc/14/51/08/345145108.db2.gz YSEXPPQFNDGTLE-VIFPVBQESA-N 0 3 229.776 3.680 20 0 BHADHN Clc1scc(CNC2CCC2)c1Cl ZINC000306280987 384854349 /nfs/dbraw/zinc/85/43/49/384854349.db2.gz VEKFRTLWLGVNKQ-UHFFFAOYSA-N 0 3 236.167 3.697 20 0 BHADHN Clc1ccsc1CN1CCCCCC1 ZINC000306337559 384673070 /nfs/dbraw/zinc/67/30/70/384673070.db2.gz UZLMKRFLWGULNJ-UHFFFAOYSA-N 0 3 229.776 3.778 20 0 BHADHN CC(C)(NCc1ccccc1)c1cccs1 ZINC000306365501 384671789 /nfs/dbraw/zinc/67/17/89/384671789.db2.gz GJXKFWVAAXGAEY-UHFFFAOYSA-N 0 3 231.364 3.773 20 0 BHADHN Clc1cc(CNC2CC=CC2)c(Cl)s1 ZINC000306366027 411444403 /nfs/dbraw/zinc/44/44/03/411444403.db2.gz DLEBXAYLZDIQCP-UHFFFAOYSA-N 0 3 248.178 3.863 20 0 BHADHN C[C@@H]1CCC[C@H]1NCc1ccsc1Cl ZINC000306440972 384727004 /nfs/dbraw/zinc/72/70/04/384727004.db2.gz RTGUCHOUVDBSDD-PSASIEDQSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@@H]1CCC[C@@H]1NCc1ccsc1Cl ZINC000306440973 384727523 /nfs/dbraw/zinc/72/75/23/384727523.db2.gz RTGUCHOUVDBSDD-SCZZXKLOSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@H]1CCC[C@H]1NCc1ccsc1Cl ZINC000306440974 384727219 /nfs/dbraw/zinc/72/72/19/384727219.db2.gz RTGUCHOUVDBSDD-WCBMZHEXSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@H]1CCC[C@@H]1NCc1ccsc1Cl ZINC000306440975 384726365 /nfs/dbraw/zinc/72/63/65/384726365.db2.gz RTGUCHOUVDBSDD-WPRPVWTQSA-N 0 3 229.776 3.680 20 0 BHADHN CC(C)NCc1csc(Cl)c1Cl ZINC000306448232 167121679 /nfs/dbraw/zinc/12/16/79/167121679.db2.gz HNHUMOPBGARARS-UHFFFAOYSA-N 0 3 224.156 3.553 20 0 BHADHN Clc1sccc1CNC1CCCCC1 ZINC000306464580 229392696 /nfs/dbraw/zinc/39/26/96/229392696.db2.gz AQHMQAXSKVKEDO-UHFFFAOYSA-N 0 3 229.776 3.824 20 0 BHADHN C[C@@H]1CCC[C@@H](C)C1NC/C(Cl)=C/Cl ZINC000306555666 360430258 /nfs/dbraw/zinc/43/02/58/360430258.db2.gz HVIYGPYGVWRPNI-MNTZLAJPSA-N 0 3 236.186 3.720 20 0 BHADHN C[C@@H]1CC[C@H](NCc2sccc2Cl)C1 ZINC000306673502 176233448 /nfs/dbraw/zinc/23/34/48/176233448.db2.gz NXNOPMBUULVGPH-BDAKNGLRSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@H]1CC[C@@H](NCc2sccc2Cl)C1 ZINC000306673503 177193065 /nfs/dbraw/zinc/19/30/65/177193065.db2.gz NXNOPMBUULVGPH-DTWKUNHWSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@H]1CC[C@H](NCc2sccc2Cl)C1 ZINC000306673504 177205544 /nfs/dbraw/zinc/20/55/44/177205544.db2.gz NXNOPMBUULVGPH-IUCAKERBSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@@H]1CC[C@@H](NCc2sccc2Cl)C1 ZINC000306673505 176212898 /nfs/dbraw/zinc/21/28/98/176212898.db2.gz NXNOPMBUULVGPH-RKDXNWHRSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@@H]1CCCC[C@]1(C)NC/C(Cl)=C/Cl ZINC000306673726 388386372 /nfs/dbraw/zinc/38/63/72/388386372.db2.gz OHRSRYAPQJUIKG-UEQOSDTHSA-N 0 3 236.186 3.864 20 0 BHADHN C[C@@H]1CCCC[C@@]1(C)NC/C(Cl)=C/Cl ZINC000306673727 388386405 /nfs/dbraw/zinc/38/64/05/388386405.db2.gz OHRSRYAPQJUIKG-XMZCBSEDSA-N 0 3 236.186 3.864 20 0 BHADHN Cc1scc(CNCc2ccccc2)c1C ZINC000306740897 343076519 /nfs/dbraw/zinc/07/65/19/343076519.db2.gz UHIYICCSUBWUCZ-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN CC1(C)CC(NCc2sccc2Cl)C1 ZINC000306788287 323032039 /nfs/dbraw/zinc/03/20/39/323032039.db2.gz RQPFNLOCIGOWJP-UHFFFAOYSA-N 0 3 229.776 3.680 20 0 BHADHN CC(C)NCc1ccc(F)c(Cl)c1Cl ZINC000306938796 527735193 /nfs/dbraw/zinc/73/51/93/527735193.db2.gz JZTBAQORXNXAIG-UHFFFAOYSA-N 0 3 236.117 3.631 20 0 BHADHN Clc1scc(CNC2CC=CC2)c1Cl ZINC000307009245 490650489 /nfs/dbraw/zinc/65/04/89/490650489.db2.gz HTZPDVUPIUYZKG-UHFFFAOYSA-N 0 3 248.178 3.863 20 0 BHADHN CC1(C)CC(NCc2ccsc2Cl)C1 ZINC000307092710 410289129 /nfs/dbraw/zinc/28/91/29/410289129.db2.gz BKQFKHMJKLDBMZ-UHFFFAOYSA-N 0 3 229.776 3.680 20 0 BHADHN Clc1ccc(CN2CCCCCC2)s1 ZINC000307127854 385927289 /nfs/dbraw/zinc/92/72/89/385927289.db2.gz CUUMUJVECZMRPO-UHFFFAOYSA-N 0 3 229.776 3.778 20 0 BHADHN CC[C@H](CC(F)(F)F)NCc1ccccc1 ZINC000307138177 388422417 /nfs/dbraw/zinc/42/24/17/388422417.db2.gz ZAOOBMCLWVGECL-LLVKDONJSA-N 0 3 231.261 3.507 20 0 BHADHN CC[C@@H](CC(F)(F)F)NCc1ccccc1 ZINC000307138178 388422064 /nfs/dbraw/zinc/42/20/64/388422064.db2.gz ZAOOBMCLWVGECL-NSHDSACASA-N 0 3 231.261 3.507 20 0 BHADHN CC1(C)CC[C@@H]1NCc1cscc1Cl ZINC000307145744 643413094 /nfs/dbraw/zinc/41/30/94/643413094.db2.gz MQFIMIALTWUVKY-JTQLQIEISA-N 0 3 229.776 3.680 20 0 BHADHN CC1(C)CC[C@H]1NCc1cscc1Cl ZINC000307145745 643412404 /nfs/dbraw/zinc/41/24/04/643412404.db2.gz MQFIMIALTWUVKY-SNVBAGLBSA-N 0 3 229.776 3.680 20 0 BHADHN CC(C)(C)NCc1csc(Cl)c1Cl ZINC000307312256 384983515 /nfs/dbraw/zinc/98/35/15/384983515.db2.gz GHAXYZJTCNDCGF-UHFFFAOYSA-N 0 3 238.183 3.943 20 0 BHADHN Clc1sccc1CN[C@H]1CC=CCC1 ZINC000307351463 180604112 /nfs/dbraw/zinc/60/41/12/180604112.db2.gz BIBKTPPLNIGEOM-JTQLQIEISA-N 0 3 227.760 3.600 20 0 BHADHN Clc1sccc1CN[C@@H]1CC=CCC1 ZINC000307351464 385680171 /nfs/dbraw/zinc/68/01/71/385680171.db2.gz BIBKTPPLNIGEOM-SNVBAGLBSA-N 0 3 227.760 3.600 20 0 BHADHN Clc1cc(CNC2CCC2)c(Cl)s1 ZINC000307352387 385681651 /nfs/dbraw/zinc/68/16/51/385681651.db2.gz QYUMXXYJWBPBJD-UHFFFAOYSA-N 0 3 236.167 3.697 20 0 BHADHN CC1(C)CC[C@@H]1NCc1sccc1Cl ZINC000307388166 388423608 /nfs/dbraw/zinc/42/36/08/388423608.db2.gz NSMLTRFLJBHYJP-JTQLQIEISA-N 0 3 229.776 3.680 20 0 BHADHN CC1(C)CC[C@H]1NCc1sccc1Cl ZINC000307388167 388423464 /nfs/dbraw/zinc/42/34/64/388423464.db2.gz NSMLTRFLJBHYJP-SNVBAGLBSA-N 0 3 229.776 3.680 20 0 BHADHN CCNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000307557056 528276209 /nfs/dbraw/zinc/27/62/09/528276209.db2.gz UYLKGNMYDGHMCD-UHFFFAOYSA-N 0 3 230.138 3.592 20 0 BHADHN CSc1ccc(CNCc2ccccc2)s1 ZINC000307733517 532957706 /nfs/dbraw/zinc/95/77/06/532957706.db2.gz NFNNQJZWOLDOKA-UHFFFAOYSA-N 0 3 249.404 3.760 20 0 BHADHN C[C@@H]1CC[C@@H](NCc2ccsc2Cl)C1 ZINC000307750376 176212958 /nfs/dbraw/zinc/21/29/58/176212958.db2.gz JSWKMUNTIKEMHR-PSASIEDQSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@@H]1CC[C@H](NCc2ccsc2Cl)C1 ZINC000307750377 176233936 /nfs/dbraw/zinc/23/39/36/176233936.db2.gz JSWKMUNTIKEMHR-SCZZXKLOSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@H]1CC[C@@H](NCc2ccsc2Cl)C1 ZINC000307750378 177193074 /nfs/dbraw/zinc/19/30/74/177193074.db2.gz JSWKMUNTIKEMHR-WCBMZHEXSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@H]1CC[C@H](NCc2ccsc2Cl)C1 ZINC000307750379 177205603 /nfs/dbraw/zinc/20/56/03/177205603.db2.gz JSWKMUNTIKEMHR-WPRPVWTQSA-N 0 3 229.776 3.680 20 0 BHADHN CC1(NCc2ccsc2Cl)CCCC1 ZINC000307751927 528032641 /nfs/dbraw/zinc/03/26/41/528032641.db2.gz PTYXYUOXKJALLV-UHFFFAOYSA-N 0 3 229.776 3.824 20 0 BHADHN CCc1cc(N[C@@H](C)c2ncc(C)s2)ccn1 ZINC000307766153 529560180 /nfs/dbraw/zinc/56/01/80/529560180.db2.gz BRGNISRJIOPQRA-JTQLQIEISA-N 0 3 247.367 3.582 20 0 BHADHN CCc1cc(N[C@H](C)c2ncc(C)s2)ccn1 ZINC000307766154 529561818 /nfs/dbraw/zinc/56/18/18/529561818.db2.gz BRGNISRJIOPQRA-SNVBAGLBSA-N 0 3 247.367 3.582 20 0 BHADHN CCc1cc(N[C@@H](C)c2nc(C)cs2)ccn1 ZINC000307766986 529560725 /nfs/dbraw/zinc/56/07/25/529560725.db2.gz GKHYHABRJSWXKJ-JTQLQIEISA-N 0 3 247.367 3.582 20 0 BHADHN CCc1cc(N[C@H](C)c2nc(C)cs2)ccn1 ZINC000307766987 529561922 /nfs/dbraw/zinc/56/19/22/529561922.db2.gz GKHYHABRJSWXKJ-SNVBAGLBSA-N 0 3 247.367 3.582 20 0 BHADHN CC[C@H](NC/C=C\Cl)c1cccs1 ZINC000308099445 642439014 /nfs/dbraw/zinc/43/90/14/642439014.db2.gz BBQPOSLIJOJYDC-RNEXMXFGSA-N 0 3 215.749 3.541 20 0 BHADHN CC[C@@H](NC/C=C\Cl)c1cccs1 ZINC000308099448 642365494 /nfs/dbraw/zinc/36/54/94/642365494.db2.gz BBQPOSLIJOJYDC-XTULLQBASA-N 0 3 215.749 3.541 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(Cl)s1 ZINC000308104256 491134761 /nfs/dbraw/zinc/13/47/61/491134761.db2.gz MCSFRAOVNPOHOL-TUUFMJSCSA-N 0 3 215.749 3.628 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(Cl)s1 ZINC000308104257 491134729 /nfs/dbraw/zinc/13/47/29/491134729.db2.gz MCSFRAOVNPOHOL-VEMNSZJBSA-N 0 3 215.749 3.628 20 0 BHADHN CC(C)CCNCc1ccsc1Cl ZINC000308137668 388432558 /nfs/dbraw/zinc/43/25/58/388432558.db2.gz GHMOTKHTBGOZMI-UHFFFAOYSA-N 0 3 217.765 3.537 20 0 BHADHN CCCN(CC)Cc1sccc1Cl ZINC000308153185 388432457 /nfs/dbraw/zinc/43/24/57/388432457.db2.gz AGGOVAQHRCKOAX-UHFFFAOYSA-N 0 3 217.765 3.633 20 0 BHADHN CC(C)CNCc1csc(Cl)c1Cl ZINC000308164913 385473270 /nfs/dbraw/zinc/47/32/70/385473270.db2.gz XDQXLJKKMFDLTC-UHFFFAOYSA-N 0 3 238.183 3.801 20 0 BHADHN Clc1scc(CNCC2CC2)c1Cl ZINC000308178611 385476932 /nfs/dbraw/zinc/47/69/32/385476932.db2.gz DZBWGXRDNOMROH-UHFFFAOYSA-N 0 3 236.167 3.555 20 0 BHADHN FCCCNCc1csc(Cl)c1Cl ZINC000308183250 259339052 /nfs/dbraw/zinc/33/90/52/259339052.db2.gz HTHOILIODSORDW-UHFFFAOYSA-N 0 3 242.146 3.504 20 0 BHADHN CCC(CC)NCc1ccsc1Cl ZINC000308209240 388434021 /nfs/dbraw/zinc/43/40/21/388434021.db2.gz FLYIUJNVFBUCDO-UHFFFAOYSA-N 0 3 217.765 3.680 20 0 BHADHN CCCCNCc1csc(Cl)c1Cl ZINC000308326736 528553548 /nfs/dbraw/zinc/55/35/48/528553548.db2.gz FWBPOHCWPDIIBS-UHFFFAOYSA-N 0 3 238.183 3.945 20 0 BHADHN C/C=C\CN[C@@H](C)c1cccc(Cl)c1 ZINC000308398977 355421217 /nfs/dbraw/zinc/42/12/17/355421217.db2.gz AMAKTCUMRHYBQA-XOULXFPDSA-N 0 3 209.720 3.567 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccccc1Cl ZINC000308401535 355459664 /nfs/dbraw/zinc/45/96/64/355459664.db2.gz QYBUQMBEVOTNPC-XOULXFPDSA-N 0 3 209.720 3.567 20 0 BHADHN C/C=C\CN[C@H](C)c1cccc(Cl)c1 ZINC000308402694 350697162 /nfs/dbraw/zinc/69/71/62/350697162.db2.gz AMAKTCUMRHYBQA-UMBAGQNISA-N 0 3 209.720 3.567 20 0 BHADHN C/C=C\CN[C@H](C)c1ccccc1Cl ZINC000308406548 350697749 /nfs/dbraw/zinc/69/77/49/350697749.db2.gz QYBUQMBEVOTNPC-UMBAGQNISA-N 0 3 209.720 3.567 20 0 BHADHN CCC[C@@H](C)NCc1ccsc1Cl ZINC000308426275 491136061 /nfs/dbraw/zinc/13/60/61/491136061.db2.gz RKNRVIUVJLIHFD-MRVPVSSYSA-N 0 3 217.765 3.680 20 0 BHADHN CCC[C@H](C)NCc1ccsc1Cl ZINC000308426276 491136035 /nfs/dbraw/zinc/13/60/35/491136035.db2.gz RKNRVIUVJLIHFD-QMMMGPOBSA-N 0 3 217.765 3.680 20 0 BHADHN CC[C@@H](F)CN[C@H](CC)c1cccs1 ZINC000308472473 529554248 /nfs/dbraw/zinc/55/42/48/529554248.db2.gz ADHZTACTPHYLLP-NXEZZACHSA-N 0 3 215.337 3.537 20 0 BHADHN CC[C@H](F)CN[C@@H](CC)c1cccs1 ZINC000308472475 529438768 /nfs/dbraw/zinc/43/87/68/529438768.db2.gz ADHZTACTPHYLLP-UWVGGRQHSA-N 0 3 215.337 3.537 20 0 BHADHN CC[C@@H](NC[C@@H](F)CC)c1cccs1 ZINC000308472477 529173192 /nfs/dbraw/zinc/17/31/92/529173192.db2.gz ADHZTACTPHYLLP-VHSXEESVSA-N 0 3 215.337 3.537 20 0 BHADHN CC[C@@H](F)CN[C@@H](CC)c1cccs1 ZINC000308472478 529553087 /nfs/dbraw/zinc/55/30/87/529553087.db2.gz ADHZTACTPHYLLP-ZJUUUORDSA-N 0 3 215.337 3.537 20 0 BHADHN CCC1(CNCc2ccsc2Cl)CC1 ZINC000308494212 386430540 /nfs/dbraw/zinc/43/05/40/386430540.db2.gz CRMSXCYBDCMINT-UHFFFAOYSA-N 0 3 229.776 3.681 20 0 BHADHN CC1(CNCc2ccsc2Cl)CCC1 ZINC000308495794 168044503 /nfs/dbraw/zinc/04/45/03/168044503.db2.gz ACNCYYOMNBFRJS-UHFFFAOYSA-N 0 3 229.776 3.681 20 0 BHADHN C[C@@H](NCc1ccsc1Cl)C1CCC1 ZINC000308498204 491136629 /nfs/dbraw/zinc/13/66/29/491136629.db2.gz FDXYKFFIZJAYFS-MRVPVSSYSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@H](NCc1ccsc1Cl)C1CCC1 ZINC000308498205 491136637 /nfs/dbraw/zinc/13/66/37/491136637.db2.gz FDXYKFFIZJAYFS-QMMMGPOBSA-N 0 3 229.776 3.680 20 0 BHADHN CC(C)(NCc1cscc1Cl)C1CC1 ZINC000308509929 491136710 /nfs/dbraw/zinc/13/67/10/491136710.db2.gz KLBQQUDYLPZSHY-UHFFFAOYSA-N 0 3 229.776 3.680 20 0 BHADHN CC(C)C(C)(C)NCc1ccsc1Cl ZINC000308517450 370140470 /nfs/dbraw/zinc/14/04/70/370140470.db2.gz NHWCKITZAHGXAD-UHFFFAOYSA-N 0 3 231.792 3.926 20 0 BHADHN CC(C)C(C)(C)NCc1cscc1Cl ZINC000308529660 491136906 /nfs/dbraw/zinc/13/69/06/491136906.db2.gz RJQNXUQWPCVHPO-UHFFFAOYSA-N 0 3 231.792 3.926 20 0 BHADHN CC(C)=CCNC(C)(C)c1cccs1 ZINC000308531521 384784290 /nfs/dbraw/zinc/78/42/90/384784290.db2.gz RTIXZNCQTDNMTP-UHFFFAOYSA-N 0 3 209.358 3.539 20 0 BHADHN CCC(C)(C)OCCN[C@H](C)c1ccccc1 ZINC000308538084 388441584 /nfs/dbraw/zinc/44/15/84/388441584.db2.gz HDCZYIRHRMGYAN-CYBMUJFWSA-N 0 3 235.371 3.542 20 0 BHADHN CCC(C)(C)OCCN[C@@H](C)c1ccccc1 ZINC000308538085 388441650 /nfs/dbraw/zinc/44/16/50/388441650.db2.gz HDCZYIRHRMGYAN-ZDUSSCGKSA-N 0 3 235.371 3.542 20 0 BHADHN CC(C)[C@H](C)CNCc1ccsc1Cl ZINC000308539384 388441617 /nfs/dbraw/zinc/44/16/17/388441617.db2.gz UEZCBXCLIJEOPE-SECBINFHSA-N 0 3 231.792 3.783 20 0 BHADHN CC(C)[C@@H](C)CNCc1ccsc1Cl ZINC000308539385 388442064 /nfs/dbraw/zinc/44/20/64/388442064.db2.gz UEZCBXCLIJEOPE-VIFPVBQESA-N 0 3 231.792 3.783 20 0 BHADHN CCC(C)(C)OCCN[C@H](C)c1ccsc1 ZINC000308551802 388442652 /nfs/dbraw/zinc/44/26/52/388442652.db2.gz YHEBJEFIGQJYSX-LLVKDONJSA-N 0 3 241.400 3.604 20 0 BHADHN CCC(C)(C)OCCN[C@@H](C)c1ccsc1 ZINC000308551807 388442765 /nfs/dbraw/zinc/44/27/65/388442765.db2.gz YHEBJEFIGQJYSX-NSHDSACASA-N 0 3 241.400 3.604 20 0 BHADHN CC[C@@H](C)[C@H](C)NCc1ccsc1Cl ZINC000308584926 388444081 /nfs/dbraw/zinc/44/40/81/388444081.db2.gz HYZUUKRCDJSNAF-BDAKNGLRSA-N 0 3 231.792 3.926 20 0 BHADHN CC[C@H](C)[C@@H](C)NCc1ccsc1Cl ZINC000308584927 388444182 /nfs/dbraw/zinc/44/41/82/388444182.db2.gz HYZUUKRCDJSNAF-DTWKUNHWSA-N 0 3 231.792 3.926 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1ccsc1Cl ZINC000308584928 388444022 /nfs/dbraw/zinc/44/40/22/388444022.db2.gz HYZUUKRCDJSNAF-IUCAKERBSA-N 0 3 231.792 3.926 20 0 BHADHN CC[C@@H](C)[C@@H](C)NCc1ccsc1Cl ZINC000308584929 388444141 /nfs/dbraw/zinc/44/41/41/388444141.db2.gz HYZUUKRCDJSNAF-RKDXNWHRSA-N 0 3 231.792 3.926 20 0 BHADHN CC1(C)C[C@@H]1CNCc1cscc1Cl ZINC000308594615 491137314 /nfs/dbraw/zinc/13/73/14/491137314.db2.gz XUJZGVSIKGRYIU-SECBINFHSA-N 0 3 229.776 3.537 20 0 BHADHN CC1(C)C[C@H]1CNCc1cscc1Cl ZINC000308594616 491137325 /nfs/dbraw/zinc/13/73/25/491137325.db2.gz XUJZGVSIKGRYIU-VIFPVBQESA-N 0 3 229.776 3.537 20 0 BHADHN CC(C)SCCNCc1cc(Cl)cs1 ZINC000308598157 167330603 /nfs/dbraw/zinc/33/06/03/167330603.db2.gz NJVPFGVVUYMUAJ-UHFFFAOYSA-N 0 3 249.832 3.633 20 0 BHADHN Clc1ccsc1CNCCCC1CC1 ZINC000308611808 346892858 /nfs/dbraw/zinc/89/28/58/346892858.db2.gz YPRKSBGLCHYABI-UHFFFAOYSA-N 0 3 229.776 3.681 20 0 BHADHN CCSCCCNCc1ccsc1Cl ZINC000308614768 384869559 /nfs/dbraw/zinc/86/95/59/384869559.db2.gz ROKDSTARLVFWGM-UHFFFAOYSA-N 0 3 249.832 3.634 20 0 BHADHN CC(C)C[C@@H](C)NCc1sccc1Cl ZINC000308615136 528268085 /nfs/dbraw/zinc/26/80/85/528268085.db2.gz ZSMFSPSMPDABRG-SECBINFHSA-N 0 3 231.792 3.926 20 0 BHADHN CC(C)C[C@H](C)NCc1sccc1Cl ZINC000308615137 528475358 /nfs/dbraw/zinc/47/53/58/528475358.db2.gz ZSMFSPSMPDABRG-VIFPVBQESA-N 0 3 231.792 3.926 20 0 BHADHN CCC(C)(C)CNCc1ccsc1Cl ZINC000308623441 384873014 /nfs/dbraw/zinc/87/30/14/384873014.db2.gz UWQHZKSKBYBAQA-UHFFFAOYSA-N 0 3 231.792 3.927 20 0 BHADHN CCCNCc1ccc(F)c(Cl)c1Cl ZINC000308625252 388444949 /nfs/dbraw/zinc/44/49/49/388444949.db2.gz VRZWLIQJDISEKH-UHFFFAOYSA-N 0 3 236.117 3.632 20 0 BHADHN CC(C)CCCNCc1ccsc1Cl ZINC000308642996 384887250 /nfs/dbraw/zinc/88/72/50/384887250.db2.gz FUXRDOKROGCUNY-UHFFFAOYSA-N 0 3 231.792 3.927 20 0 BHADHN CC(C)=CCCNCc1sccc1Cl ZINC000308647315 388447247 /nfs/dbraw/zinc/44/72/47/388447247.db2.gz IIICJTHHSOZADG-UHFFFAOYSA-N 0 3 229.776 3.847 20 0 BHADHN C[C@H](CNCc1ccsc1Cl)C1CC1 ZINC000308650156 491137524 /nfs/dbraw/zinc/13/75/24/491137524.db2.gz JWYFAGFTPGTJNK-MRVPVSSYSA-N 0 3 229.776 3.537 20 0 BHADHN C[C@@H](CNCc1ccsc1Cl)C1CC1 ZINC000308650157 491137469 /nfs/dbraw/zinc/13/74/69/491137469.db2.gz JWYFAGFTPGTJNK-QMMMGPOBSA-N 0 3 229.776 3.537 20 0 BHADHN CC1(CCNCc2cscc2Cl)CC1 ZINC000308651941 491137675 /nfs/dbraw/zinc/13/76/75/491137675.db2.gz LBXQVQDZLJIBJD-UHFFFAOYSA-N 0 3 229.776 3.681 20 0 BHADHN CC1(CCNCc2sccc2Cl)CC1 ZINC000308665117 168020651 /nfs/dbraw/zinc/02/06/51/168020651.db2.gz SAZUKZVTXOANPH-UHFFFAOYSA-N 0 3 229.776 3.681 20 0 BHADHN CC[C@@H](NCCOC(C)(C)C)c1ccsc1 ZINC000308694285 388363230 /nfs/dbraw/zinc/36/32/30/388363230.db2.gz NUCPZSINZIHJIK-GFCCVEGCSA-N 0 3 241.400 3.604 20 0 BHADHN CC[C@H](NCCOC(C)(C)C)c1ccsc1 ZINC000308694286 388362901 /nfs/dbraw/zinc/36/29/01/388362901.db2.gz NUCPZSINZIHJIK-LBPRGKRZSA-N 0 3 241.400 3.604 20 0 BHADHN C[C@@H]1C[C@H](NCCOC(C)(C)C)c2ccccc21 ZINC000308694460 323176929 /nfs/dbraw/zinc/17/69/29/323176929.db2.gz OQFGVUUBPLHGKQ-DOMZBBRYSA-N 0 3 247.382 3.640 20 0 BHADHN C[C@@H]1C[C@@H](NCCOC(C)(C)C)c2ccccc21 ZINC000308694931 323176889 /nfs/dbraw/zinc/17/68/89/323176889.db2.gz OQFGVUUBPLHGKQ-IUODEOHRSA-N 0 3 247.382 3.640 20 0 BHADHN C[C@H]1C[C@@H](NCCOC(C)(C)C)c2ccccc21 ZINC000308694935 323176988 /nfs/dbraw/zinc/17/69/88/323176988.db2.gz OQFGVUUBPLHGKQ-SWLSCSKDSA-N 0 3 247.382 3.640 20 0 BHADHN C[C@H]1C[C@H](NCCOC(C)(C)C)c2ccccc21 ZINC000308694939 323176910 /nfs/dbraw/zinc/17/69/10/323176910.db2.gz OQFGVUUBPLHGKQ-WFASDCNBSA-N 0 3 247.382 3.640 20 0 BHADHN CC(C)n1ccc(CN[C@]2(C)CCCC[C@@H]2C)n1 ZINC000308697130 388447806 /nfs/dbraw/zinc/44/78/06/388447806.db2.gz GDCYJLPQHZYLAC-DZGCQCFKSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccc(CN[C@@]2(C)CCCC[C@H]2C)n1 ZINC000308697131 388447971 /nfs/dbraw/zinc/44/79/71/388447971.db2.gz GDCYJLPQHZYLAC-HIFRSBDPSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccc(CN[C@]2(C)CCCC[C@H]2C)n1 ZINC000308697133 388447897 /nfs/dbraw/zinc/44/78/97/388447897.db2.gz GDCYJLPQHZYLAC-UKRRQHHQSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccc(CN[C@@]2(C)CCCC[C@@H]2C)n1 ZINC000308697137 388448063 /nfs/dbraw/zinc/44/80/63/388448063.db2.gz GDCYJLPQHZYLAC-ZFWWWQNUSA-N 0 3 249.402 3.522 20 0 BHADHN Cc1cc([C@@H](C)NCCOC(C)(C)C)cs1 ZINC000308697411 370150999 /nfs/dbraw/zinc/15/09/99/370150999.db2.gz SLKQPPGUZQEKNZ-LLVKDONJSA-N 0 3 241.400 3.522 20 0 BHADHN Cc1cc([C@H](C)NCCOC(C)(C)C)cs1 ZINC000308697412 370151038 /nfs/dbraw/zinc/15/10/38/370151038.db2.gz SLKQPPGUZQEKNZ-NSHDSACASA-N 0 3 241.400 3.522 20 0 BHADHN Cc1cnc(CN[C@@]2(C)CCCC[C@@H]2C)s1 ZINC000308703305 388448351 /nfs/dbraw/zinc/44/83/51/388448351.db2.gz CLIGWQVJHOHTQP-GWCFXTLKSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cnc(CN[C@]2(C)CCCC[C@@H]2C)s1 ZINC000308703307 388448438 /nfs/dbraw/zinc/44/84/38/388448438.db2.gz CLIGWQVJHOHTQP-GXFFZTMASA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cnc(CN[C@@]2(C)CCCC[C@H]2C)s1 ZINC000308703310 229245058 /nfs/dbraw/zinc/24/50/58/229245058.db2.gz CLIGWQVJHOHTQP-MFKMUULPSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cnc(CN[C@]2(C)CCCC[C@H]2C)s1 ZINC000308703312 229244613 /nfs/dbraw/zinc/24/46/13/229244613.db2.gz CLIGWQVJHOHTQP-ZWNOBZJWSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1csc(CN[C@@]2(C)CCCC[C@@H]2C)n1 ZINC000308706428 388448389 /nfs/dbraw/zinc/44/83/89/388448389.db2.gz HRSQCSFFIHBUHX-GWCFXTLKSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1csc(CN[C@]2(C)CCCC[C@@H]2C)n1 ZINC000308706429 388448323 /nfs/dbraw/zinc/44/83/23/388448323.db2.gz HRSQCSFFIHBUHX-GXFFZTMASA-N 0 3 238.400 3.510 20 0 BHADHN Cc1csc(CN[C@@]2(C)CCCC[C@H]2C)n1 ZINC000308706430 388448418 /nfs/dbraw/zinc/44/84/18/388448418.db2.gz HRSQCSFFIHBUHX-MFKMUULPSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1csc(CN[C@]2(C)CCCC[C@H]2C)n1 ZINC000308706431 388448542 /nfs/dbraw/zinc/44/85/42/388448542.db2.gz HRSQCSFFIHBUHX-ZWNOBZJWSA-N 0 3 238.400 3.510 20 0 BHADHN C[C@@H]1CCCC[C@@]1(C)NC/C(Cl)=C\Cl ZINC000308711046 342863408 /nfs/dbraw/zinc/86/34/08/342863408.db2.gz OHRSRYAPQJUIKG-DHJNVWGISA-N 0 3 236.186 3.864 20 0 BHADHN C[C@@H]1CCCC[C@]1(C)NC/C(Cl)=C\Cl ZINC000308711047 342863486 /nfs/dbraw/zinc/86/34/86/342863486.db2.gz OHRSRYAPQJUIKG-LCIINNLCSA-N 0 3 236.186 3.864 20 0 BHADHN CCC1(NCc2cscc2Cl)CCC1 ZINC000308725340 491137848 /nfs/dbraw/zinc/13/78/48/491137848.db2.gz GJBPTYAURVCUKI-UHFFFAOYSA-N 0 3 229.776 3.824 20 0 BHADHN Cc1nc(CN[C@@]2(C)CCCC[C@@H]2C)cs1 ZINC000308727093 534391045 /nfs/dbraw/zinc/39/10/45/534391045.db2.gz YARIQLQJECKWGC-GWCFXTLKSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@]2(C)CCCC[C@@H]2C)cs1 ZINC000308727094 229245558 /nfs/dbraw/zinc/24/55/58/229245558.db2.gz YARIQLQJECKWGC-GXFFZTMASA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@@]2(C)CCCC[C@H]2C)cs1 ZINC000308727095 534390982 /nfs/dbraw/zinc/39/09/82/534390982.db2.gz YARIQLQJECKWGC-MFKMUULPSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1nc(CN[C@]2(C)CCCC[C@H]2C)cs1 ZINC000308727096 229246087 /nfs/dbraw/zinc/24/60/87/229246087.db2.gz YARIQLQJECKWGC-ZWNOBZJWSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cc(C)cc([C@H](C)NCCOC(C)(C)C)c1 ZINC000308728433 323177219 /nfs/dbraw/zinc/17/72/19/323177219.db2.gz HVPAYBWXKGTWJI-AWEZNQCLSA-N 0 3 249.398 3.769 20 0 BHADHN Cc1cc(C)cc([C@@H](C)NCCOC(C)(C)C)c1 ZINC000308728434 323177292 /nfs/dbraw/zinc/17/72/92/323177292.db2.gz HVPAYBWXKGTWJI-CQSZACIVSA-N 0 3 249.398 3.769 20 0 BHADHN CSc1ccc(CNCC=C(C)C)s1 ZINC000308730165 388448513 /nfs/dbraw/zinc/44/85/13/388448513.db2.gz IZZPJBCOKPIDIY-UHFFFAOYSA-N 0 3 227.398 3.526 20 0 BHADHN Cc1ccc([C@H](C)NCCOC(C)(C)C)cc1C ZINC000308737249 323177544 /nfs/dbraw/zinc/17/75/44/323177544.db2.gz MDIZYFDKBIMRJR-AWEZNQCLSA-N 0 3 249.398 3.769 20 0 BHADHN Cc1ccc([C@@H](C)NCCOC(C)(C)C)cc1C ZINC000308737250 323177619 /nfs/dbraw/zinc/17/76/19/323177619.db2.gz MDIZYFDKBIMRJR-CQSZACIVSA-N 0 3 249.398 3.769 20 0 BHADHN Clc1sccc1CNCC1CCCC1 ZINC000308740241 385046536 /nfs/dbraw/zinc/04/65/36/385046536.db2.gz OHDDROWASXEORQ-UHFFFAOYSA-N 0 3 229.776 3.681 20 0 BHADHN Cc1cc(C)c(CNCCOC(C)(C)C)cc1C ZINC000308745822 388363665 /nfs/dbraw/zinc/36/36/65/388363665.db2.gz RATPQCSATKKDDI-UHFFFAOYSA-N 0 3 249.398 3.517 20 0 BHADHN Clc1cscc1CNCCCC1CC1 ZINC000308748469 491137873 /nfs/dbraw/zinc/13/78/73/491137873.db2.gz SOYDIAMVERWYFP-UHFFFAOYSA-N 0 3 229.776 3.681 20 0 BHADHN Cc1ccc(C)c([C@H](C)NCCOC(C)(C)C)c1 ZINC000308750898 323177700 /nfs/dbraw/zinc/17/77/00/323177700.db2.gz UKLXMCKOSIMHEJ-AWEZNQCLSA-N 0 3 249.398 3.769 20 0 BHADHN Cc1ccc(C)c([C@@H](C)NCCOC(C)(C)C)c1 ZINC000308751013 323177801 /nfs/dbraw/zinc/17/78/01/323177801.db2.gz UKLXMCKOSIMHEJ-CQSZACIVSA-N 0 3 249.398 3.769 20 0 BHADHN CC(C)(CNCc1ccco1)C1=CCCC1 ZINC000308751684 388448915 /nfs/dbraw/zinc/44/89/15/388448915.db2.gz ACRLGQYPCKEQJD-UHFFFAOYSA-N 0 3 219.328 3.506 20 0 BHADHN C[C@@H](NCC(C)(C)C1=CCCC1)c1ccccn1 ZINC000308755519 388448964 /nfs/dbraw/zinc/44/89/64/388448964.db2.gz KPZXJMALYZWPFO-CYBMUJFWSA-N 0 3 244.382 3.869 20 0 BHADHN C[C@H](NCC(C)(C)C1=CCCC1)c1ccccn1 ZINC000308755520 229246644 /nfs/dbraw/zinc/24/66/44/229246644.db2.gz KPZXJMALYZWPFO-ZDUSSCGKSA-N 0 3 244.382 3.869 20 0 BHADHN Cc1noc(C)c1CNCC(C)(C)C1=CCCC1 ZINC000308757076 229247255 /nfs/dbraw/zinc/24/72/55/229247255.db2.gz OKQOKUYOFLJWKC-UHFFFAOYSA-N 0 3 248.370 3.518 20 0 BHADHN Cc1ccc(CNCC(C)(C)C2=CCCC2)nc1 ZINC000308757142 534056188 /nfs/dbraw/zinc/05/61/88/534056188.db2.gz PGZGRRHHXIHAEN-UHFFFAOYSA-N 0 3 244.382 3.616 20 0 BHADHN Cc1ccc([C@H](C)NCCOC(C)(C)C)c(C)c1 ZINC000308758692 323177789 /nfs/dbraw/zinc/17/77/89/323177789.db2.gz XDLNXODGAHTMLI-AWEZNQCLSA-N 0 3 249.398 3.769 20 0 BHADHN Cc1ccc([C@@H](C)NCCOC(C)(C)C)c(C)c1 ZINC000308758695 323177797 /nfs/dbraw/zinc/17/77/97/323177797.db2.gz XDLNXODGAHTMLI-CQSZACIVSA-N 0 3 249.398 3.769 20 0 BHADHN CSC(C)(C)CNCc1ccsc1Cl ZINC000308760745 631640457 /nfs/dbraw/zinc/64/04/57/631640457.db2.gz XVYRPHNWDISQIS-UHFFFAOYSA-N 0 3 249.832 3.633 20 0 BHADHN Clc1sccc1CNCCCC1CC1 ZINC000308762110 370161402 /nfs/dbraw/zinc/16/14/02/370161402.db2.gz YLEMZISHOXPBDB-UHFFFAOYSA-N 0 3 229.776 3.681 20 0 BHADHN Cc1cc(C)c(CNCCOC(C)(C)C)c(C)c1 ZINC000308764900 342870111 /nfs/dbraw/zinc/87/01/11/342870111.db2.gz ZYKWSONDTKTYGM-UHFFFAOYSA-N 0 3 249.398 3.517 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H]1C)c1ccccc1Cl ZINC000308776877 229248081 /nfs/dbraw/zinc/24/80/81/229248081.db2.gz ATFLXEKEDGWSRR-GBIKHYSHSA-N 0 3 223.747 3.789 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H]1C)c1ccccc1Cl ZINC000308776878 534011952 /nfs/dbraw/zinc/01/19/52/534011952.db2.gz ATFLXEKEDGWSRR-KWBADKCTSA-N 0 3 223.747 3.789 20 0 BHADHN C[C@H](N[C@H]1CC[C@H]1C)c1ccccc1Cl ZINC000308776879 534013811 /nfs/dbraw/zinc/01/38/11/534013811.db2.gz ATFLXEKEDGWSRR-NRUUGDAUSA-N 0 3 223.747 3.789 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1ccccc1Cl ZINC000308776880 229248304 /nfs/dbraw/zinc/24/83/04/229248304.db2.gz ATFLXEKEDGWSRR-OUJBWJOFSA-N 0 3 223.747 3.789 20 0 BHADHN CC1(C)CC[C@H]1NCc1ccccc1Cl ZINC000308780898 529052076 /nfs/dbraw/zinc/05/20/76/529052076.db2.gz PSFIYUBBURPBDQ-GFCCVEGCSA-N 0 3 223.747 3.618 20 0 BHADHN CC1(C)CC[C@@H]1NCc1ccccc1Cl ZINC000308780900 529032860 /nfs/dbraw/zinc/03/28/60/529032860.db2.gz PSFIYUBBURPBDQ-LBPRGKRZSA-N 0 3 223.747 3.618 20 0 BHADHN CCC[C@@H](NCCF)c1ccc(Cl)cc1 ZINC000308791014 385107199 /nfs/dbraw/zinc/10/71/99/385107199.db2.gz IJEKZBLEUHIWIO-GFCCVEGCSA-N 0 3 229.726 3.740 20 0 BHADHN CCC[C@H](NCCF)c1ccc(Cl)cc1 ZINC000308791015 385107373 /nfs/dbraw/zinc/10/73/73/385107373.db2.gz IJEKZBLEUHIWIO-LBPRGKRZSA-N 0 3 229.726 3.740 20 0 BHADHN CC(C)(NC/C=C\Cl)c1ccc(Cl)cc1 ZINC000308819960 631708663 /nfs/dbraw/zinc/70/86/63/631708663.db2.gz BPSAALYJKLMFIW-BAQGIRSFSA-N 0 3 244.165 3.917 20 0 BHADHN CC(C)(NC/C=C/Cl)c1ccc(Cl)cc1 ZINC000308819961 631673152 /nfs/dbraw/zinc/67/31/52/631673152.db2.gz BPSAALYJKLMFIW-FPYGCLRLSA-N 0 3 244.165 3.917 20 0 BHADHN C[C@H](CCC1CC1)NCc1ccc(Cl)o1 ZINC000308825914 385195091 /nfs/dbraw/zinc/19/50/91/385195091.db2.gz AFIAEPUFHPWJHF-SECBINFHSA-N 0 3 227.735 3.601 20 0 BHADHN C[C@@H](CCC1CC1)NCc1ccc(Cl)o1 ZINC000308825916 385194896 /nfs/dbraw/zinc/19/48/96/385194896.db2.gz AFIAEPUFHPWJHF-VIFPVBQESA-N 0 3 227.735 3.601 20 0 BHADHN Cc1ccc(C)c([C@@H](C)NC/C=C\Cl)c1 ZINC000308827845 631675705 /nfs/dbraw/zinc/67/57/05/631675705.db2.gz AQXOBAZIGJIHFE-DJFZKKHWSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1ccc(C)c([C@H](C)NC/C=C\Cl)c1 ZINC000308827848 631675305 /nfs/dbraw/zinc/67/53/05/631675305.db2.gz AQXOBAZIGJIHFE-KMSCOEIWSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1ccc(C)c([C@H](C)NC/C=C/Cl)c1 ZINC000308827851 631675195 /nfs/dbraw/zinc/67/51/95/631675195.db2.gz AQXOBAZIGJIHFE-NTYUQYKDSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1ccc(C)c([C@@H](C)NC/C=C/Cl)c1 ZINC000308827854 631675926 /nfs/dbraw/zinc/67/59/26/631675926.db2.gz AQXOBAZIGJIHFE-RPTYSRGTSA-N 0 3 223.747 3.707 20 0 BHADHN CC(C)=CCNCc1ccc(Cl)c(C)c1 ZINC000308831395 527443575 /nfs/dbraw/zinc/44/35/75/527443575.db2.gz GHDFLPBZDIGYNB-UHFFFAOYSA-N 0 3 223.747 3.704 20 0 BHADHN CC(C)(NCCC(F)(F)F)c1cccs1 ZINC000308835457 527289376 /nfs/dbraw/zinc/28/93/76/527289376.db2.gz HXEGHSRVLSZVHJ-UHFFFAOYSA-N 0 3 237.290 3.525 20 0 BHADHN Clc1cscc1CN[C@@H]1CC12CCCC2 ZINC000308858813 491139160 /nfs/dbraw/zinc/13/91/60/491139160.db2.gz ADQFQFQMYWMNNH-LLVKDONJSA-N 0 3 241.787 3.824 20 0 BHADHN Clc1cscc1CN[C@H]1CC12CCCC2 ZINC000308858815 582896549 /nfs/dbraw/zinc/89/65/49/582896549.db2.gz ADQFQFQMYWMNNH-NSHDSACASA-N 0 3 241.787 3.824 20 0 BHADHN Clc1csc(CN[C@@H]2CC23CCCC3)c1 ZINC000308858818 229253024 /nfs/dbraw/zinc/25/30/24/229253024.db2.gz ADSDUYZRPAIKPJ-LLVKDONJSA-N 0 3 241.787 3.824 20 0 BHADHN Clc1csc(CN[C@H]2CC23CCCC3)c1 ZINC000308858821 229253898 /nfs/dbraw/zinc/25/38/98/229253898.db2.gz ADSDUYZRPAIKPJ-NSHDSACASA-N 0 3 241.787 3.824 20 0 BHADHN CC(C)(C)NCc1cscc1C(F)(F)F ZINC000308858954 385223076 /nfs/dbraw/zinc/22/30/76/385223076.db2.gz JFPYTPXNQYLVLS-UHFFFAOYSA-N 0 3 237.290 3.655 20 0 BHADHN CC(C)C(NCc1ncc(Cl)s1)C(C)C ZINC000308859388 582896490 /nfs/dbraw/zinc/89/64/90/582896490.db2.gz QZYLEARRYKOFNG-UHFFFAOYSA-N 0 3 246.807 3.567 20 0 BHADHN C[C@H](CN[C@H](C)c1cccs1)C(F)(F)F ZINC000308860810 534126363 /nfs/dbraw/zinc/12/63/63/534126363.db2.gz RJAGCEWUWXUMCM-HTQZYQBOSA-N 0 3 237.290 3.597 20 0 BHADHN C[C@@H](NC[C@H](C)C(F)(F)F)c1cccs1 ZINC000308860812 323081446 /nfs/dbraw/zinc/08/14/46/323081446.db2.gz RJAGCEWUWXUMCM-JGVFFNPUSA-N 0 3 237.290 3.597 20 0 BHADHN C[C@H](CN[C@@H](C)c1cccs1)C(F)(F)F ZINC000308860814 229253683 /nfs/dbraw/zinc/25/36/83/229253683.db2.gz RJAGCEWUWXUMCM-SFYZADRCSA-N 0 3 237.290 3.597 20 0 BHADHN C[C@@H](CN[C@@H](C)c1cccs1)C(F)(F)F ZINC000308860816 323081420 /nfs/dbraw/zinc/08/14/20/323081420.db2.gz RJAGCEWUWXUMCM-YUMQZZPRSA-N 0 3 237.290 3.597 20 0 BHADHN CC(C)C1(CNCc2sccc2Cl)CC1 ZINC000308865572 527614805 /nfs/dbraw/zinc/61/48/05/527614805.db2.gz KZHVWBVHMZNDJB-UHFFFAOYSA-N 0 3 243.803 3.927 20 0 BHADHN Clc1ccc(CN[C@H]2CC23CCCC3)s1 ZINC000308866301 229254247 /nfs/dbraw/zinc/25/42/47/229254247.db2.gz FQMNXQPJKIVPFZ-JTQLQIEISA-N 0 3 241.787 3.824 20 0 BHADHN Clc1ccc(CN[C@@H]2CC23CCCC3)s1 ZINC000308866302 229254866 /nfs/dbraw/zinc/25/48/66/229254866.db2.gz FQMNXQPJKIVPFZ-SNVBAGLBSA-N 0 3 241.787 3.824 20 0 BHADHN Clc1sccc1CNCCC1=CCCC1 ZINC000308867572 385225218 /nfs/dbraw/zinc/22/52/18/385225218.db2.gz GRLHBAQDSGAEIS-UHFFFAOYSA-N 0 3 241.787 3.992 20 0 BHADHN CC(C)(C)C(C)(C)NCc1ncc(Cl)s1 ZINC000308877608 385243254 /nfs/dbraw/zinc/24/32/54/385243254.db2.gz BYGHKURRFFIZBE-UHFFFAOYSA-N 0 3 246.807 3.711 20 0 BHADHN C[C@H](CCC1CC1)N[C@H](C)c1ccco1 ZINC000308879479 176616738 /nfs/dbraw/zinc/61/67/38/176616738.db2.gz TXXPWEZHCVWVOP-GHMZBOCLSA-N 0 3 207.317 3.509 20 0 BHADHN C[C@H](CCC1CC1)N[C@@H](C)c1ccco1 ZINC000308879480 410785178 /nfs/dbraw/zinc/78/51/78/410785178.db2.gz TXXPWEZHCVWVOP-MNOVXSKESA-N 0 3 207.317 3.509 20 0 BHADHN C[C@@H](CCC1CC1)N[C@@H](C)c1ccco1 ZINC000308879481 410786014 /nfs/dbraw/zinc/78/60/14/410786014.db2.gz TXXPWEZHCVWVOP-QWRGUYRKSA-N 0 3 207.317 3.509 20 0 BHADHN C[C@@H](N[C@@H](C)CCC1CC1)c1ccco1 ZINC000308879482 410785339 /nfs/dbraw/zinc/78/53/39/410785339.db2.gz TXXPWEZHCVWVOP-WDEREUQCSA-N 0 3 207.317 3.509 20 0 BHADHN CC(C)(NC/C=C\Cl)c1cccc(Cl)c1 ZINC000308884519 631716653 /nfs/dbraw/zinc/71/66/53/631716653.db2.gz VJNXTFPKVAGSDI-DAXSKMNVSA-N 0 3 244.165 3.917 20 0 BHADHN CC(C)(NC/C=C/Cl)c1cccc(Cl)c1 ZINC000308884521 631716701 /nfs/dbraw/zinc/71/67/01/631716701.db2.gz VJNXTFPKVAGSDI-QPJJXVBHSA-N 0 3 244.165 3.917 20 0 BHADHN Clc1sccc1CNC[C@H]1CC=CCC1 ZINC000308886797 229255554 /nfs/dbraw/zinc/25/55/54/229255554.db2.gz UHDYNKCFELQYNR-JTQLQIEISA-N 0 3 241.787 3.847 20 0 BHADHN Clc1sccc1CNC[C@@H]1CC=CCC1 ZINC000308886800 229256829 /nfs/dbraw/zinc/25/68/29/229256829.db2.gz UHDYNKCFELQYNR-SNVBAGLBSA-N 0 3 241.787 3.847 20 0 BHADHN Clc1cscc1CNCCC1=CCCC1 ZINC000308890691 491139555 /nfs/dbraw/zinc/13/95/55/491139555.db2.gz WRRBLPTYMXKTFX-UHFFFAOYSA-N 0 3 241.787 3.992 20 0 BHADHN FC1(CCNCc2cscc2Cl)CCC1 ZINC000308897314 491139937 /nfs/dbraw/zinc/13/99/37/491139937.db2.gz AABSBQSORXXNSZ-UHFFFAOYSA-N 0 3 247.766 3.773 20 0 BHADHN Cc1ccc(CNC(C)(C)C(C)(C)C)o1 ZINC000308899380 385252381 /nfs/dbraw/zinc/25/23/81/385252381.db2.gz JROLOYHDGUOLPJ-UHFFFAOYSA-N 0 3 209.333 3.502 20 0 BHADHN C[C@@H](NC[C@H]1C[C@H]1C)c1ccccc1Cl ZINC000308903044 533437168 /nfs/dbraw/zinc/43/71/68/533437168.db2.gz BTWADYFWUHSRBP-GMTAPVOTSA-N 0 3 223.747 3.647 20 0 BHADHN C[C@@H](NC[C@@H]1C[C@H]1C)c1ccccc1Cl ZINC000308903046 229257057 /nfs/dbraw/zinc/25/70/57/229257057.db2.gz BTWADYFWUHSRBP-MXWKQRLJSA-N 0 3 223.747 3.647 20 0 BHADHN CCCC(CCC)NCc1ccc(Cl)o1 ZINC000308905107 491050184 /nfs/dbraw/zinc/05/01/84/491050184.db2.gz CIDKGNTTYSHONR-UHFFFAOYSA-N 0 3 229.751 3.991 20 0 BHADHN C[C@H](CC1CCC1)NCc1ccc(Cl)o1 ZINC000308915059 491140113 /nfs/dbraw/zinc/14/01/13/491140113.db2.gz BALPLTXYIWITKH-SECBINFHSA-N 0 3 227.735 3.601 20 0 BHADHN C[C@@H](CC1CCC1)NCc1ccc(Cl)o1 ZINC000308915061 491140117 /nfs/dbraw/zinc/14/01/17/491140117.db2.gz BALPLTXYIWITKH-VIFPVBQESA-N 0 3 227.735 3.601 20 0 BHADHN CC[C@H](CC(F)(F)F)NCc1ccsc1 ZINC000308917722 171423483 /nfs/dbraw/zinc/42/34/83/171423483.db2.gz GITBGRBSZOYDHV-SECBINFHSA-N 0 3 237.290 3.569 20 0 BHADHN CC[C@@H](CC(F)(F)F)NCc1ccsc1 ZINC000308917723 385289320 /nfs/dbraw/zinc/28/93/20/385289320.db2.gz GITBGRBSZOYDHV-VIFPVBQESA-N 0 3 237.290 3.569 20 0 BHADHN Fc1ccc(CNC2CCC2)c(Cl)c1Cl ZINC000308919114 534464566 /nfs/dbraw/zinc/46/45/66/534464566.db2.gz IFEVEQWNJWSUKJ-UHFFFAOYSA-N 0 3 248.128 3.775 20 0 BHADHN Cc1ccc([C@@H](C)NC/C=C\Cl)c(C)c1 ZINC000308920084 632441419 /nfs/dbraw/zinc/44/14/19/632441419.db2.gz CADKCPXRAXHIHE-DJFZKKHWSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1ccc([C@H](C)NC/C=C\Cl)c(C)c1 ZINC000308920090 632441206 /nfs/dbraw/zinc/44/12/06/632441206.db2.gz CADKCPXRAXHIHE-KMSCOEIWSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1ccc([C@H](C)NC/C=C/Cl)c(C)c1 ZINC000308920411 632443206 /nfs/dbraw/zinc/44/32/06/632443206.db2.gz CADKCPXRAXHIHE-NTYUQYKDSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1ccc([C@@H](C)NC/C=C/Cl)c(C)c1 ZINC000308920412 631744023 /nfs/dbraw/zinc/74/40/23/631744023.db2.gz CADKCPXRAXHIHE-RPTYSRGTSA-N 0 3 223.747 3.707 20 0 BHADHN FC1(CCNCc2ccsc2Cl)CCC1 ZINC000308943431 385299105 /nfs/dbraw/zinc/29/91/05/385299105.db2.gz REQKIVPWVFVPFZ-UHFFFAOYSA-N 0 3 247.766 3.773 20 0 BHADHN CC[C@@H](F)CN[C@H](C)c1cccc(Cl)c1 ZINC000308967914 529553134 /nfs/dbraw/zinc/55/31/34/529553134.db2.gz XEDSDOIJYATXEV-BXKDBHETSA-N 0 3 229.726 3.739 20 0 BHADHN CC[C@H](F)CN[C@@H](C)c1cccc(Cl)c1 ZINC000308967915 529438629 /nfs/dbraw/zinc/43/86/29/529438629.db2.gz XEDSDOIJYATXEV-CABZTGNLSA-N 0 3 229.726 3.739 20 0 BHADHN CC[C@@H](F)CN[C@@H](C)c1cccc(Cl)c1 ZINC000308968030 529553563 /nfs/dbraw/zinc/55/35/63/529553563.db2.gz XEDSDOIJYATXEV-JOYOIKCWSA-N 0 3 229.726 3.739 20 0 BHADHN CC[C@H](F)CN[C@H](C)c1cccc(Cl)c1 ZINC000308968031 529438669 /nfs/dbraw/zinc/43/86/69/529438669.db2.gz XEDSDOIJYATXEV-SKDRFNHKSA-N 0 3 229.726 3.739 20 0 BHADHN CC[C@@H](F)CN[C@H](C)c1ccc(Cl)cc1 ZINC000308970339 529553063 /nfs/dbraw/zinc/55/30/63/529553063.db2.gz YWMDNKRARRSBAK-BXKDBHETSA-N 0 3 229.726 3.739 20 0 BHADHN CC[C@H](F)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000308970340 529438132 /nfs/dbraw/zinc/43/81/32/529438132.db2.gz YWMDNKRARRSBAK-CABZTGNLSA-N 0 3 229.726 3.739 20 0 BHADHN CC[C@@H](F)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000308970341 529553528 /nfs/dbraw/zinc/55/35/28/529553528.db2.gz YWMDNKRARRSBAK-JOYOIKCWSA-N 0 3 229.726 3.739 20 0 BHADHN CC[C@H](F)CN[C@H](C)c1ccc(Cl)cc1 ZINC000308970342 529438809 /nfs/dbraw/zinc/43/88/09/529438809.db2.gz YWMDNKRARRSBAK-SKDRFNHKSA-N 0 3 229.726 3.739 20 0 BHADHN Cc1cc([C@H](C)NC/C=C\Cl)ccc1F ZINC000308974527 633837682 /nfs/dbraw/zinc/83/76/82/633837682.db2.gz GGFYWUWLXCTCST-NWPZZWLHSA-N 0 3 227.710 3.537 20 0 BHADHN Cc1cc([C@@H](C)NC/C=C/Cl)ccc1F ZINC000308974528 631769710 /nfs/dbraw/zinc/76/97/10/631769710.db2.gz GGFYWUWLXCTCST-QLCVYAKKSA-N 0 3 227.710 3.537 20 0 BHADHN Cc1cc([C@@H](C)NC/C=C\Cl)ccc1F ZINC000308974529 631768718 /nfs/dbraw/zinc/76/87/18/631768718.db2.gz GGFYWUWLXCTCST-XICOKMJESA-N 0 3 227.710 3.537 20 0 BHADHN Cc1cc([C@H](C)NC/C=C/Cl)ccc1F ZINC000308974531 631769504 /nfs/dbraw/zinc/76/95/04/631769504.db2.gz GGFYWUWLXCTCST-YVGDHZEHSA-N 0 3 227.710 3.537 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](F)C1)c1csc(Cl)c1 ZINC000308983174 385325965 /nfs/dbraw/zinc/32/59/65/385325965.db2.gz IVRZKWJZNPAQHP-FXBDTBDDSA-N 0 3 247.766 3.943 20 0 BHADHN C[C@H](N[C@H]1CC[C@H](F)C1)c1csc(Cl)c1 ZINC000308983177 385324804 /nfs/dbraw/zinc/32/48/04/385324804.db2.gz IVRZKWJZNPAQHP-HGNGGELXSA-N 0 3 247.766 3.943 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](F)C1)c1csc(Cl)c1 ZINC000308983181 385325049 /nfs/dbraw/zinc/32/50/49/385325049.db2.gz IVRZKWJZNPAQHP-SFGNSQDASA-N 0 3 247.766 3.943 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H](F)C1)c1csc(Cl)c1 ZINC000308983185 385326250 /nfs/dbraw/zinc/32/62/50/385326250.db2.gz IVRZKWJZNPAQHP-UJNFCWOMSA-N 0 3 247.766 3.943 20 0 BHADHN C[C@H](N[C@@H]1CC12CCCC2)c1ccsc1 ZINC000308986293 385332004 /nfs/dbraw/zinc/33/20/04/385332004.db2.gz JXEYHZJWOWAWRR-CMPLNLGQSA-N 0 3 221.369 3.731 20 0 BHADHN C[C@H](N[C@H]1CC12CCCC2)c1ccsc1 ZINC000308986294 385331402 /nfs/dbraw/zinc/33/14/02/385331402.db2.gz JXEYHZJWOWAWRR-JQWIXIFHSA-N 0 3 221.369 3.731 20 0 BHADHN C[C@@H](N[C@H]1CC12CCCC2)c1ccsc1 ZINC000308986295 385332753 /nfs/dbraw/zinc/33/27/53/385332753.db2.gz JXEYHZJWOWAWRR-PWSUYJOCSA-N 0 3 221.369 3.731 20 0 BHADHN C[C@@H](N[C@@H]1CC12CCCC2)c1ccsc1 ZINC000308986296 385331222 /nfs/dbraw/zinc/33/12/22/385331222.db2.gz JXEYHZJWOWAWRR-ZYHUDNBSSA-N 0 3 221.369 3.731 20 0 BHADHN CC(C)C1(CNCc2ccsc2Cl)CC1 ZINC000308989271 385335037 /nfs/dbraw/zinc/33/50/37/385335037.db2.gz KQIDCEWAFPQQEX-UHFFFAOYSA-N 0 3 243.803 3.927 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CSC2(C)C)s1 ZINC000308997161 385337274 /nfs/dbraw/zinc/33/72/74/385337274.db2.gz MXEIXESAGWERMH-GXSJLCMTSA-N 0 3 241.425 3.601 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2CSC2(C)C)s1 ZINC000308997162 178851598 /nfs/dbraw/zinc/85/15/98/178851598.db2.gz MXEIXESAGWERMH-KOLCDFICSA-N 0 3 241.425 3.601 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CSC2(C)C)s1 ZINC000308997163 178848152 /nfs/dbraw/zinc/84/81/52/178848152.db2.gz MXEIXESAGWERMH-MWLCHTKSSA-N 0 3 241.425 3.601 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CSC2(C)C)s1 ZINC000308997164 385337182 /nfs/dbraw/zinc/33/71/82/385337182.db2.gz MXEIXESAGWERMH-ONGXEEELSA-N 0 3 241.425 3.601 20 0 BHADHN CCCCN[C@H](C)c1c(F)cccc1Cl ZINC000309004529 528555768 /nfs/dbraw/zinc/55/57/68/528555768.db2.gz MONQZXGIQRCLOL-SECBINFHSA-N 0 3 229.726 3.930 20 0 BHADHN CCCCN[C@@H](C)c1c(F)cccc1Cl ZINC000309004530 528554182 /nfs/dbraw/zinc/55/41/82/528554182.db2.gz MONQZXGIQRCLOL-VIFPVBQESA-N 0 3 229.726 3.930 20 0 BHADHN Cc1cc(C)cc([C@@H](C)NC/C=C\Cl)c1 ZINC000309005030 631799601 /nfs/dbraw/zinc/79/96/01/631799601.db2.gz PMYWSEUMXUZAPT-QMAVJUDZSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1cc(C)cc([C@H](C)NC/C=C\Cl)c1 ZINC000309005031 631798603 /nfs/dbraw/zinc/79/86/03/631798603.db2.gz PMYWSEUMXUZAPT-RXNFCKPNSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1ccc([C@@H](C)NC/C=C\Cl)cc1C ZINC000309005817 631798875 /nfs/dbraw/zinc/79/88/75/631798875.db2.gz PTUDPFYQCWPGFM-DJFZKKHWSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1ccc([C@H](C)NC/C=C\Cl)cc1C ZINC000309005818 631799394 /nfs/dbraw/zinc/79/93/94/631799394.db2.gz PTUDPFYQCWPGFM-KMSCOEIWSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1ccc([C@H](C)NC/C=C/Cl)cc1C ZINC000309005820 631799266 /nfs/dbraw/zinc/79/92/66/631799266.db2.gz PTUDPFYQCWPGFM-NTYUQYKDSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1ccc([C@@H](C)NC/C=C/Cl)cc1C ZINC000309005821 631798617 /nfs/dbraw/zinc/79/86/17/631798617.db2.gz PTUDPFYQCWPGFM-RPTYSRGTSA-N 0 3 223.747 3.707 20 0 BHADHN C[C@@H](NC1(C2CC2)CC1)c1csc(Cl)c1 ZINC000309007690 323184230 /nfs/dbraw/zinc/18/42/30/323184230.db2.gz QLOLFFFIAPPNTL-MRVPVSSYSA-N 0 3 241.787 3.995 20 0 BHADHN C[C@H](NC1(C2CC2)CC1)c1csc(Cl)c1 ZINC000309007691 323184196 /nfs/dbraw/zinc/18/41/96/323184196.db2.gz QLOLFFFIAPPNTL-QMMMGPOBSA-N 0 3 241.787 3.995 20 0 BHADHN CC(C)(NCc1cccs1)c1cccs1 ZINC000309008660 527295237 /nfs/dbraw/zinc/29/52/37/527295237.db2.gz QXBJPTHOCJMGFV-UHFFFAOYSA-N 0 3 237.393 3.835 20 0 BHADHN CC(C)(CC(F)(F)F)NCc1cccs1 ZINC000309021359 491142761 /nfs/dbraw/zinc/14/27/61/491142761.db2.gz XEOPANXKFABZTK-UHFFFAOYSA-N 0 3 237.290 3.569 20 0 BHADHN CC(C)[C@@H](NCCF)c1ccc(Cl)cc1 ZINC000309022137 528586498 /nfs/dbraw/zinc/58/64/98/528586498.db2.gz XTBYAUDZTUPGIX-GFCCVEGCSA-N 0 3 229.726 3.596 20 0 BHADHN CC(C)[C@H](NCCF)c1ccc(Cl)cc1 ZINC000309022138 529120647 /nfs/dbraw/zinc/12/06/47/529120647.db2.gz XTBYAUDZTUPGIX-LBPRGKRZSA-N 0 3 229.726 3.596 20 0 BHADHN C[C@@H](F)CCN[C@H](C)c1ccccc1Cl ZINC000309025197 229299549 /nfs/dbraw/zinc/29/95/49/229299549.db2.gz ZLGQTIXGOWSLPP-NXEZZACHSA-N 0 3 229.726 3.739 20 0 BHADHN C[C@H](F)CCN[C@@H](C)c1ccccc1Cl ZINC000309025202 229299486 /nfs/dbraw/zinc/29/94/86/229299486.db2.gz ZLGQTIXGOWSLPP-UWVGGRQHSA-N 0 3 229.726 3.739 20 0 BHADHN C[C@@H](NCC[C@H](C)F)c1ccccc1Cl ZINC000309025207 229299274 /nfs/dbraw/zinc/29/92/74/229299274.db2.gz ZLGQTIXGOWSLPP-VHSXEESVSA-N 0 3 229.726 3.739 20 0 BHADHN C[C@@H](F)CCN[C@@H](C)c1ccccc1Cl ZINC000309025211 229299106 /nfs/dbraw/zinc/29/91/06/229299106.db2.gz ZLGQTIXGOWSLPP-ZJUUUORDSA-N 0 3 229.726 3.739 20 0 BHADHN CCNC1(c2c(Cl)cccc2Cl)CCC1 ZINC000309032534 528276454 /nfs/dbraw/zinc/27/64/54/528276454.db2.gz FUPUKHAVYZNYAP-UHFFFAOYSA-N 0 3 244.165 3.982 20 0 BHADHN CC[C@H](C)CNC1(C(F)F)CCCCC1 ZINC000309032839 529667796 /nfs/dbraw/zinc/66/77/96/529667796.db2.gz GCBUSAGQZGSMQC-JTQLQIEISA-N 0 3 219.319 3.590 20 0 BHADHN CC[C@@H](C)CNC1(C(F)F)CCCCC1 ZINC000309032840 529326716 /nfs/dbraw/zinc/32/67/16/529326716.db2.gz GCBUSAGQZGSMQC-SNVBAGLBSA-N 0 3 219.319 3.590 20 0 BHADHN CCCNC(C)(C)c1cccc(Cl)c1F ZINC000309039561 528470101 /nfs/dbraw/zinc/47/01/01/528470101.db2.gz KKJDWFRQUVDKRK-UHFFFAOYSA-N 0 3 229.726 3.714 20 0 BHADHN C/C=C\CN[C@H](C)c1cccc(C)c1C ZINC000309042187 491143246 /nfs/dbraw/zinc/14/32/46/491143246.db2.gz LXTJBVYOCUNBDI-CFHLNLSMSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C/CN[C@@H](C)c1cccc(C)c1C ZINC000309042188 491143223 /nfs/dbraw/zinc/14/32/23/491143223.db2.gz LXTJBVYOCUNBDI-GFUIURDCSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C\CN[C@@H](C)c1cccc(C)c1C ZINC000309042189 491143261 /nfs/dbraw/zinc/14/32/61/491143261.db2.gz LXTJBVYOCUNBDI-SZZPACECSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C/CN[C@H](C)c1cccc(C)c1C ZINC000309042190 491143215 /nfs/dbraw/zinc/14/32/15/491143215.db2.gz LXTJBVYOCUNBDI-URWSZGRFSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000309044789 491052147 /nfs/dbraw/zinc/05/21/47/491052147.db2.gz NSOYDTNPZCFAQH-CDAZIORVSA-N 0 3 227.710 3.706 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000309044790 491143297 /nfs/dbraw/zinc/14/32/97/491143297.db2.gz NSOYDTNPZCFAQH-NWALNABHSA-N 0 3 227.710 3.706 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000309044791 491143350 /nfs/dbraw/zinc/14/33/50/491143350.db2.gz NSOYDTNPZCFAQH-TYRPZCRBSA-N 0 3 227.710 3.706 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000309044792 491143355 /nfs/dbraw/zinc/14/33/55/491143355.db2.gz NSOYDTNPZCFAQH-ZBJFTSOASA-N 0 3 227.710 3.706 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(C)cc1C ZINC000309051664 491143700 /nfs/dbraw/zinc/14/37/00/491143700.db2.gz RIHWKYSPDWQYTB-CFHLNLSMSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(C)cc1C ZINC000309051665 491143675 /nfs/dbraw/zinc/14/36/75/491143675.db2.gz RIHWKYSPDWQYTB-GFUIURDCSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(C)cc1C ZINC000309051666 491143655 /nfs/dbraw/zinc/14/36/55/491143655.db2.gz RIHWKYSPDWQYTB-SZZPACECSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(C)cc1C ZINC000309051667 491143666 /nfs/dbraw/zinc/14/36/66/491143666.db2.gz RIHWKYSPDWQYTB-URWSZGRFSA-N 0 3 203.329 3.530 20 0 BHADHN C[C@@H]1CC[C@@H]1NCc1c(Cl)cccc1Cl ZINC000309052764 534201867 /nfs/dbraw/zinc/20/18/67/534201867.db2.gz QSWWESCBAILPIS-PELKAZGASA-N 0 3 244.165 3.882 20 0 BHADHN C[C@@H]1CC[C@H]1NCc1c(Cl)cccc1Cl ZINC000309052765 534263691 /nfs/dbraw/zinc/26/36/91/534263691.db2.gz QSWWESCBAILPIS-PRHODGIISA-N 0 3 244.165 3.882 20 0 BHADHN C[C@H]1CC[C@H]1NCc1c(Cl)cccc1Cl ZINC000309052766 229314600 /nfs/dbraw/zinc/31/46/00/229314600.db2.gz QSWWESCBAILPIS-QPUJVOFHSA-N 0 3 244.165 3.882 20 0 BHADHN C[C@H]1CC[C@@H]1NCc1c(Cl)cccc1Cl ZINC000309052767 533723202 /nfs/dbraw/zinc/72/32/02/533723202.db2.gz QSWWESCBAILPIS-UFBFGSQYSA-N 0 3 244.165 3.882 20 0 BHADHN Cc1ccc(CN2CCCCC2)c(Cl)c1 ZINC000309054180 533919824 /nfs/dbraw/zinc/91/98/24/533919824.db2.gz RSNVNNBRTXKPAP-UHFFFAOYSA-N 0 3 223.747 3.634 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(C)c(C)c1 ZINC000309058331 491143593 /nfs/dbraw/zinc/14/35/93/491143593.db2.gz VKXGENKSHRNQBA-CFHLNLSMSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000309058332 491143625 /nfs/dbraw/zinc/14/36/25/491143625.db2.gz VKXGENKSHRNQBA-GFUIURDCSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000309058333 491143620 /nfs/dbraw/zinc/14/36/20/491143620.db2.gz VKXGENKSHRNQBA-SZZPACECSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(C)c(C)c1 ZINC000309058334 491143611 /nfs/dbraw/zinc/14/36/11/491143611.db2.gz VKXGENKSHRNQBA-URWSZGRFSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000309060343 491143627 /nfs/dbraw/zinc/14/36/27/491143627.db2.gz WCPOZHCBATZAPZ-CDAZIORVSA-N 0 3 227.710 3.706 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000309060344 491143600 /nfs/dbraw/zinc/14/36/00/491143600.db2.gz WCPOZHCBATZAPZ-NWALNABHSA-N 0 3 227.710 3.706 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000309060345 491143640 /nfs/dbraw/zinc/14/36/40/491143640.db2.gz WCPOZHCBATZAPZ-TYRPZCRBSA-N 0 3 227.710 3.706 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000309060346 491143585 /nfs/dbraw/zinc/14/35/85/491143585.db2.gz WCPOZHCBATZAPZ-ZBJFTSOASA-N 0 3 227.710 3.706 20 0 BHADHN Cc1cc(CN[C@@H](C)c2ccsc2)cs1 ZINC000309061176 491143808 /nfs/dbraw/zinc/14/38/08/491143808.db2.gz VZUGEJQWTZSPNE-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN Cc1cc(CN[C@H](C)c2ccsc2)cs1 ZINC000309061177 491143815 /nfs/dbraw/zinc/14/38/15/491143815.db2.gz VZUGEJQWTZSPNE-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN CC[C@@H](NC/C=C\Cl)c1ccc(C)cc1 ZINC000309069300 631833270 /nfs/dbraw/zinc/83/32/70/631833270.db2.gz AUZCZEJDHVDERF-VVOKDJNJSA-N 0 3 223.747 3.788 20 0 BHADHN CSc1ccc(CN[C@H]2C=CCCC2)s1 ZINC000309070952 532960886 /nfs/dbraw/zinc/96/08/86/532960886.db2.gz CWXHQHBOTLWFOG-JTQLQIEISA-N 0 3 239.409 3.668 20 0 BHADHN CSc1ccc(CN[C@@H]2C=CCCC2)s1 ZINC000309070953 532958879 /nfs/dbraw/zinc/95/88/79/532958879.db2.gz CWXHQHBOTLWFOG-SNVBAGLBSA-N 0 3 239.409 3.668 20 0 BHADHN CSc1ccc([C@@H](C)NC/C=C/Cl)cc1 ZINC000309080447 632635009 /nfs/dbraw/zinc/63/50/09/632635009.db2.gz OWLYHJXBOWEOLK-SIUBYYJGSA-N 0 3 241.787 3.812 20 0 BHADHN CSc1ccc([C@@H](C)NC/C=C\Cl)cc1 ZINC000309080448 631876337 /nfs/dbraw/zinc/87/63/37/631876337.db2.gz OWLYHJXBOWEOLK-WPKZPIIRSA-N 0 3 241.787 3.812 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(SC)cc1 ZINC000309085211 491144250 /nfs/dbraw/zinc/14/42/50/491144250.db2.gz WLYAEKVWTMGQNO-DOGVGXBMSA-N 0 3 221.369 3.635 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(SC)cc1 ZINC000309085212 491144235 /nfs/dbraw/zinc/14/42/35/491144235.db2.gz WLYAEKVWTMGQNO-SGUJLRQBSA-N 0 3 221.369 3.635 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(SC)cc1 ZINC000309085213 491144256 /nfs/dbraw/zinc/14/42/56/491144256.db2.gz WLYAEKVWTMGQNO-WYGGZMRJSA-N 0 3 221.369 3.635 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(SC)cc1 ZINC000309085214 491144239 /nfs/dbraw/zinc/14/42/39/491144239.db2.gz WLYAEKVWTMGQNO-ZWNMCFTASA-N 0 3 221.369 3.635 20 0 BHADHN CC(C)C1CC(NCc2cscc2Cl)C1 ZINC000309085282 632634973 /nfs/dbraw/zinc/63/49/73/632634973.db2.gz WPFGXHZCZNZNEF-UHFFFAOYSA-N 0 3 243.803 3.926 20 0 BHADHN CCCC[C@H](CC)NCc1ccc(Cl)o1 ZINC000309093936 491144681 /nfs/dbraw/zinc/14/46/81/491144681.db2.gz DEYQWVOJLCKRPF-JTQLQIEISA-N 0 3 229.751 3.991 20 0 BHADHN CCCC[C@@H](CC)NCc1ccc(Cl)o1 ZINC000309093937 491144683 /nfs/dbraw/zinc/14/46/83/491144683.db2.gz DEYQWVOJLCKRPF-SNVBAGLBSA-N 0 3 229.751 3.991 20 0 BHADHN CCC(C)(C)CCN[C@@H](C)c1nccs1 ZINC000309094114 491144694 /nfs/dbraw/zinc/14/46/94/491144694.db2.gz CDFBJROWXWNUHZ-JTQLQIEISA-N 0 3 226.389 3.620 20 0 BHADHN CCC(C)(C)CCN[C@H](C)c1nccs1 ZINC000309094115 491144687 /nfs/dbraw/zinc/14/46/87/491144687.db2.gz CDFBJROWXWNUHZ-SNVBAGLBSA-N 0 3 226.389 3.620 20 0 BHADHN Cc1cscc1CNCc1ccsc1C ZINC000309099802 179804334 /nfs/dbraw/zinc/80/43/34/179804334.db2.gz IKUJZZMPZJFLFJ-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN C[C@H](NCCF)c1csc2ccccc12 ZINC000309103240 631884037 /nfs/dbraw/zinc/88/40/37/631884037.db2.gz GVGGHCJMEIFZOQ-VIFPVBQESA-N 0 3 223.316 3.521 20 0 BHADHN CC1(C)CC(CNCc2ccsc2Cl)C1 ZINC000309116147 350035112 /nfs/dbraw/zinc/03/51/12/350035112.db2.gz LOCPGUSGVMGCOY-UHFFFAOYSA-N 0 3 243.803 3.927 20 0 BHADHN CCC(C)(C)CCN[C@H](C)c1ccco1 ZINC000309118794 491052476 /nfs/dbraw/zinc/05/24/76/491052476.db2.gz MRUIEFFBLZNLNM-LLVKDONJSA-N 0 3 209.333 3.757 20 0 BHADHN CCC(C)(C)CCN[C@@H](C)c1ccco1 ZINC000309118796 491145120 /nfs/dbraw/zinc/14/51/20/491145120.db2.gz MRUIEFFBLZNLNM-NSHDSACASA-N 0 3 209.333 3.757 20 0 BHADHN CC(C)=CCCN[C@H](C)c1ccc(C)o1 ZINC000309121258 188343591 /nfs/dbraw/zinc/34/35/91/188343591.db2.gz NWNNLXHPCXPHPE-GFCCVEGCSA-N 0 3 207.317 3.595 20 0 BHADHN CC(C)=CCCN[C@@H](C)c1ccc(C)o1 ZINC000309121259 385427661 /nfs/dbraw/zinc/42/76/61/385427661.db2.gz NWNNLXHPCXPHPE-LBPRGKRZSA-N 0 3 207.317 3.595 20 0 BHADHN CC1(C)CC(NCc2ccccc2Cl)C1 ZINC000309126225 528889804 /nfs/dbraw/zinc/88/98/04/528889804.db2.gz PRPVLPITQVKZPI-UHFFFAOYSA-N 0 3 223.747 3.618 20 0 BHADHN CCCCCNCc1ccnc(Cl)c1Cl ZINC000309166500 631926302 /nfs/dbraw/zinc/92/63/02/631926302.db2.gz JFBSROQQALUWDQ-UHFFFAOYSA-N 0 3 247.169 3.668 20 0 BHADHN CC[C@@H](NC1CC(F)(F)C1)c1cccs1 ZINC000309167855 385446274 /nfs/dbraw/zinc/44/62/74/385446274.db2.gz JVWMCMOUUVVVEO-SECBINFHSA-N 0 3 231.311 3.587 20 0 BHADHN CC[C@H](NC1CC(F)(F)C1)c1cccs1 ZINC000309167856 385446306 /nfs/dbraw/zinc/44/63/06/385446306.db2.gz JVWMCMOUUVVVEO-VIFPVBQESA-N 0 3 231.311 3.587 20 0 BHADHN CCSCCN[C@H](CC)c1ccccc1F ZINC000309182943 350158221 /nfs/dbraw/zinc/15/82/21/350158221.db2.gz GCEKPAFDSINEKR-CYBMUJFWSA-N 0 3 241.375 3.620 20 0 BHADHN CCSCCN[C@@H](CC)c1ccccc1F ZINC000309182944 350158614 /nfs/dbraw/zinc/15/86/14/350158614.db2.gz GCEKPAFDSINEKR-ZDUSSCGKSA-N 0 3 241.375 3.620 20 0 BHADHN C[C@@H](NCC1CCC1)c1c(F)cccc1Cl ZINC000309186779 385200760 /nfs/dbraw/zinc/20/07/60/385200760.db2.gz AEHNAFFHYOGOAY-SECBINFHSA-N 0 3 241.737 3.930 20 0 BHADHN C[C@H](NCC1CCC1)c1c(F)cccc1Cl ZINC000309186780 385201398 /nfs/dbraw/zinc/20/13/98/385201398.db2.gz AEHNAFFHYOGOAY-VIFPVBQESA-N 0 3 241.737 3.930 20 0 BHADHN C[C@@H](NCCCCF)c1ccc(F)cc1Cl ZINC000309204419 385206843 /nfs/dbraw/zinc/20/68/43/385206843.db2.gz CDKBXICOVHKEEY-SECBINFHSA-N 0 3 247.716 3.879 20 0 BHADHN C[C@H](NCCCCF)c1ccc(F)cc1Cl ZINC000309204422 385206780 /nfs/dbraw/zinc/20/67/80/385206780.db2.gz CDKBXICOVHKEEY-VIFPVBQESA-N 0 3 247.716 3.879 20 0 BHADHN C/C=C\CN[C@@H](CC)c1cccc(Cl)c1 ZINC000309213688 491146418 /nfs/dbraw/zinc/14/64/18/491146418.db2.gz TZEOUEPPFMGQHV-DXTPNHAXSA-N 0 3 223.747 3.957 20 0 BHADHN C/C=C\CN[C@H](CC)c1cccc(Cl)c1 ZINC000309213689 491146446 /nfs/dbraw/zinc/14/64/46/491146446.db2.gz TZEOUEPPFMGQHV-HSBHDXMMSA-N 0 3 223.747 3.957 20 0 BHADHN C/C=C/CN[C@@H](CC)c1cccc(Cl)c1 ZINC000309213690 491146444 /nfs/dbraw/zinc/14/64/44/491146444.db2.gz TZEOUEPPFMGQHV-LQPUYASZSA-N 0 3 223.747 3.957 20 0 BHADHN C/C=C/CN[C@H](CC)c1cccc(Cl)c1 ZINC000309213691 491146442 /nfs/dbraw/zinc/14/64/42/491146442.db2.gz TZEOUEPPFMGQHV-MASHWEEQSA-N 0 3 223.747 3.957 20 0 BHADHN C[C@@H](NCCCCF)c1c(F)cccc1Cl ZINC000309218251 259311621 /nfs/dbraw/zinc/31/16/21/259311621.db2.gz FZEWKLGBWQOAOH-SECBINFHSA-N 0 3 247.716 3.879 20 0 BHADHN C[C@H](NCCCCF)c1c(F)cccc1Cl ZINC000309218252 259311644 /nfs/dbraw/zinc/31/16/44/259311644.db2.gz FZEWKLGBWQOAOH-VIFPVBQESA-N 0 3 247.716 3.879 20 0 BHADHN Cc1nc([C@H](C)N[C@@H]2CCC2(C)C)c(C)s1 ZINC000309248685 632841373 /nfs/dbraw/zinc/84/13/73/632841373.db2.gz ZDCXJUHWFQKFCC-GZMMTYOYSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@@H](C)N[C@H]2CCC2(C)C)c(C)s1 ZINC000309248686 632841108 /nfs/dbraw/zinc/84/11/08/632841108.db2.gz ZDCXJUHWFQKFCC-KCJUWKMLSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@H](C)N[C@H]2CCC2(C)C)c(C)s1 ZINC000309248687 632840655 /nfs/dbraw/zinc/84/06/55/632840655.db2.gz ZDCXJUHWFQKFCC-KWQFWETISA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H]2CCC2(C)C)c(C)s1 ZINC000309248688 631981764 /nfs/dbraw/zinc/98/17/64/631981764.db2.gz ZDCXJUHWFQKFCC-LDYMZIIASA-N 0 3 238.400 3.599 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@@H]2C(C)C)s1 ZINC000309304651 491147263 /nfs/dbraw/zinc/14/72/63/491147263.db2.gz ALCVAXBFLXCNTL-QJPTWQEYSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@H]2C(C)C)s1 ZINC000309304654 491147211 /nfs/dbraw/zinc/14/72/11/491147211.db2.gz ALCVAXBFLXCNTL-SDDRHHMPSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1cnc([C@H](C)N[C@H]2CC[C@H]2C(C)C)s1 ZINC000309304656 491147221 /nfs/dbraw/zinc/14/72/21/491147221.db2.gz ALCVAXBFLXCNTL-SRVKXCTJSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1cnc([C@H](C)N[C@H]2CC[C@@H]2C(C)C)s1 ZINC000309304658 491147274 /nfs/dbraw/zinc/14/72/74/491147274.db2.gz ALCVAXBFLXCNTL-TUAOUCFPSA-N 0 3 238.400 3.537 20 0 BHADHN CCCN(Cc1cccnc1Cl)CC(C)C ZINC000309307197 632918228 /nfs/dbraw/zinc/91/82/28/632918228.db2.gz ZNDYZDNUWCBZOX-UHFFFAOYSA-N 0 3 240.778 3.603 20 0 BHADHN CC(C)=CCCNCc1ccc(F)cc1Cl ZINC000309309036 383870151 /nfs/dbraw/zinc/87/01/51/383870151.db2.gz BMGGNEQWXHQTHX-UHFFFAOYSA-N 0 3 241.737 3.925 20 0 BHADHN CC(C)=CCCNCc1cccc(Cl)c1F ZINC000309310187 383868248 /nfs/dbraw/zinc/86/82/48/383868248.db2.gz BRYIBBDXHDJILI-UHFFFAOYSA-N 0 3 241.737 3.925 20 0 BHADHN CC(C)c1ncc(CN[C@@H]2CCC2(C)C)s1 ZINC000309310861 385528648 /nfs/dbraw/zinc/52/86/48/385528648.db2.gz BVFQHXUPEYQNOU-LLVKDONJSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1ncc(CN[C@H]2CCC2(C)C)s1 ZINC000309310864 385529447 /nfs/dbraw/zinc/52/94/47/385529447.db2.gz BVFQHXUPEYQNOU-NSHDSACASA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)=CCNCc1ccc(C(F)(F)F)s1 ZINC000309323677 398020655 /nfs/dbraw/zinc/02/06/55/398020655.db2.gz FVTVVONKZNZARM-UHFFFAOYSA-N 0 3 249.301 3.823 20 0 BHADHN CC(C)c1cnc(CNC(C)(C)C(C)C)s1 ZINC000309324297 350319572 /nfs/dbraw/zinc/31/95/72/350319572.db2.gz GAHSEBDBQLNLQW-UHFFFAOYSA-N 0 3 240.416 3.791 20 0 BHADHN CC(C)=CCCNCc1c(F)cccc1Cl ZINC000309331896 383884580 /nfs/dbraw/zinc/88/45/80/383884580.db2.gz HYYITQIWLVRSHG-UHFFFAOYSA-N 0 3 241.737 3.925 20 0 BHADHN CC(C)C[C@@H](C)CNCc1ccc(Cl)cn1 ZINC000309334338 383880268 /nfs/dbraw/zinc/88/02/68/383880268.db2.gz IQLXVGVVEBTPDX-LLVKDONJSA-N 0 3 240.778 3.507 20 0 BHADHN CC(C)C[C@H](C)CNCc1ccc(Cl)cn1 ZINC000309334339 383881098 /nfs/dbraw/zinc/88/10/98/383881098.db2.gz IQLXVGVVEBTPDX-NSHDSACASA-N 0 3 240.778 3.507 20 0 BHADHN Cc1ccoc1CN[C@H](C)CC1CCCC1 ZINC000309337794 383882612 /nfs/dbraw/zinc/88/26/12/383882612.db2.gz JKTUMQATZAAWOD-GFCCVEGCSA-N 0 3 221.344 3.646 20 0 BHADHN Cc1ccoc1CN[C@@H](C)CC1CCCC1 ZINC000309337796 383884460 /nfs/dbraw/zinc/88/44/60/383884460.db2.gz JKTUMQATZAAWOD-LBPRGKRZSA-N 0 3 221.344 3.646 20 0 BHADHN C[C@H](CNCc1ccco1)C1CCCCC1 ZINC000309343081 347037450 /nfs/dbraw/zinc/03/74/50/347037450.db2.gz KYNOXALEIKQQBZ-GFCCVEGCSA-N 0 3 221.344 3.586 20 0 BHADHN C[C@@H](CNCc1ccco1)C1CCCCC1 ZINC000309343083 347037383 /nfs/dbraw/zinc/03/73/83/347037383.db2.gz KYNOXALEIKQQBZ-LBPRGKRZSA-N 0 3 221.344 3.586 20 0 BHADHN CC(C)(NCC1CC1)c1cccc(Cl)c1F ZINC000309346510 383894653 /nfs/dbraw/zinc/89/46/53/383894653.db2.gz LTCRXBUIWFDTCL-UHFFFAOYSA-N 0 3 241.737 3.714 20 0 BHADHN CC(C)=CCN[C@H]1C[C@@H](C)c2ccccc21 ZINC000309347049 527446869 /nfs/dbraw/zinc/44/68/69/527446869.db2.gz ZGHIFRKCIOAESP-DOMZBBRYSA-N 0 3 215.340 3.791 20 0 BHADHN CC(C)=CCN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000309347050 383893141 /nfs/dbraw/zinc/89/31/41/383893141.db2.gz ZGHIFRKCIOAESP-IUODEOHRSA-N 0 3 215.340 3.791 20 0 BHADHN CC(C)=CCN[C@@H]1C[C@H](C)c2ccccc21 ZINC000309347051 383894721 /nfs/dbraw/zinc/89/47/21/383894721.db2.gz ZGHIFRKCIOAESP-SWLSCSKDSA-N 0 3 215.340 3.791 20 0 BHADHN CC(C)=CCN[C@H]1C[C@H](C)c2ccccc21 ZINC000309347052 383893641 /nfs/dbraw/zinc/89/36/41/383893641.db2.gz ZGHIFRKCIOAESP-WFASDCNBSA-N 0 3 215.340 3.791 20 0 BHADHN CC(C)c1nc([C@H](C)NCC2(C)CC2)cs1 ZINC000309349702 385542317 /nfs/dbraw/zinc/54/23/17/385542317.db2.gz MNBRUKDIDAWKOP-JTQLQIEISA-N 0 3 238.400 3.717 20 0 BHADHN CC(C)c1nc([C@@H](C)NCC2(C)CC2)cs1 ZINC000309349703 385541972 /nfs/dbraw/zinc/54/19/72/385541972.db2.gz MNBRUKDIDAWKOP-SNVBAGLBSA-N 0 3 238.400 3.717 20 0 BHADHN Cc1cc([C@@H](C)N[C@H](C)CC2CC2)oc1C ZINC000309352490 178232810 /nfs/dbraw/zinc/23/28/10/178232810.db2.gz NDEIVVUPAMXJLF-GHMZBOCLSA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@H](C)N[C@H](C)CC2CC2)oc1C ZINC000309352491 178256353 /nfs/dbraw/zinc/25/63/53/178256353.db2.gz NDEIVVUPAMXJLF-MNOVXSKESA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@H](C)N[C@@H](C)CC2CC2)oc1C ZINC000309352492 178251564 /nfs/dbraw/zinc/25/15/64/178251564.db2.gz NDEIVVUPAMXJLF-QWRGUYRKSA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H](C)CC2CC2)oc1C ZINC000309352493 178231014 /nfs/dbraw/zinc/23/10/14/178231014.db2.gz NDEIVVUPAMXJLF-WDEREUQCSA-N 0 3 221.344 3.736 20 0 BHADHN CC(C)=CCCNCc1ncc(C(C)C)s1 ZINC000309361480 187997220 /nfs/dbraw/zinc/99/72/20/187997220.db2.gz OVFLEJRLYRWHDF-UHFFFAOYSA-N 0 3 238.400 3.712 20 0 BHADHN Cc1sccc1CNCc1ccccc1C ZINC000309362640 179282428 /nfs/dbraw/zinc/28/24/28/179282428.db2.gz DGWMFCGSNHYHOD-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1cc(C)nc(NC2CC(C(C)C)C2)c1 ZINC000309363192 259312491 /nfs/dbraw/zinc/31/24/91/259312491.db2.gz PBGYUWIUMFXRST-UHFFFAOYSA-N 0 3 218.344 3.545 20 0 BHADHN C[C@@H](NCC1(C(F)(F)F)CC1)c1cccs1 ZINC000309363674 385549772 /nfs/dbraw/zinc/54/97/72/385549772.db2.gz AVKZSTGOKXEIMI-MRVPVSSYSA-N 0 3 249.301 3.741 20 0 BHADHN C[C@H](NCC1(C(F)(F)F)CC1)c1cccs1 ZINC000309363676 385548932 /nfs/dbraw/zinc/54/89/32/385548932.db2.gz AVKZSTGOKXEIMI-QMMMGPOBSA-N 0 3 249.301 3.741 20 0 BHADHN CC(C)=CCCN[C@H](C)c1cc(C)c(C)o1 ZINC000309367923 527408249 /nfs/dbraw/zinc/40/82/49/527408249.db2.gz BMWYWNQXBUFSOD-GFCCVEGCSA-N 0 3 221.344 3.903 20 0 BHADHN CC(C)=CCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000309367924 383907643 /nfs/dbraw/zinc/90/76/43/383907643.db2.gz BMWYWNQXBUFSOD-LBPRGKRZSA-N 0 3 221.344 3.903 20 0 BHADHN CC1(C)CC[C@H]1NCc1ccc(F)cc1Cl ZINC000309370056 383908079 /nfs/dbraw/zinc/90/80/79/383908079.db2.gz AZMLLGBHFCNIIH-GFCCVEGCSA-N 0 3 241.737 3.757 20 0 BHADHN CC1(C)CC[C@@H]1NCc1ccc(F)cc1Cl ZINC000309370060 383908022 /nfs/dbraw/zinc/90/80/22/383908022.db2.gz AZMLLGBHFCNIIH-LBPRGKRZSA-N 0 3 241.737 3.757 20 0 BHADHN Cc1ncc([C@H](C)NC2CC(C(C)C)C2)s1 ZINC000309371415 541368868 /nfs/dbraw/zinc/36/88/68/541368868.db2.gz QOQIQSRBRUYEPR-GCVQQVDUSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1ncc([C@@H](C)NC2CC(C(C)C)C2)s1 ZINC000309371418 491147659 /nfs/dbraw/zinc/14/76/59/491147659.db2.gz QOQIQSRBRUYEPR-OIKLOGQESA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@@H](C)[C@@H]2CC2(C)C)n1 ZINC000309372175 385554598 /nfs/dbraw/zinc/55/45/98/385554598.db2.gz CDMGFAHQAHOPJF-DCAQKATOSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@@H](C)[C@H]2CC2(C)C)n1 ZINC000309372177 385554287 /nfs/dbraw/zinc/55/42/87/385554287.db2.gz CDMGFAHQAHOPJF-GARJFASQSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@H](C)[C@H]2CC2(C)C)n1 ZINC000309372178 385554622 /nfs/dbraw/zinc/55/46/22/385554622.db2.gz CDMGFAHQAHOPJF-OUAUKWLOSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@H](C)[C@@H]2CC2(C)C)n1 ZINC000309372180 385554606 /nfs/dbraw/zinc/55/46/06/385554606.db2.gz CDMGFAHQAHOPJF-VWYCJHECSA-N 0 3 238.400 3.537 20 0 BHADHN CC(C)=CCCNCc1cnc(C(C)C)s1 ZINC000309378098 188167122 /nfs/dbraw/zinc/16/71/22/188167122.db2.gz ROVGDILRYLNEAU-UHFFFAOYSA-N 0 3 238.400 3.712 20 0 BHADHN CC(C)=CCCNCc1cc(Cl)ccc1F ZINC000309378782 383928807 /nfs/dbraw/zinc/92/88/07/383928807.db2.gz RPGYLDJGVZBRTQ-UHFFFAOYSA-N 0 3 241.737 3.925 20 0 BHADHN CC(C)c1nc([C@H](C)NCCCCF)cs1 ZINC000309383541 385557083 /nfs/dbraw/zinc/55/70/83/385557083.db2.gz SJLRPUVJGWRWCJ-JTQLQIEISA-N 0 3 244.379 3.667 20 0 BHADHN CC(C)c1nc([C@@H](C)NCCCCF)cs1 ZINC000309383544 385556915 /nfs/dbraw/zinc/55/69/15/385556915.db2.gz SJLRPUVJGWRWCJ-SNVBAGLBSA-N 0 3 244.379 3.667 20 0 BHADHN CC(C)c1ccc(C(C)(C)NCCF)cc1 ZINC000309393216 491148195 /nfs/dbraw/zinc/14/81/95/491148195.db2.gz UVXXAGJWLPGQHR-UHFFFAOYSA-N 0 3 223.335 3.604 20 0 BHADHN CCc1nc(CNC(C)(C)C(C)(C)C)cs1 ZINC000309396975 347047020 /nfs/dbraw/zinc/04/70/20/347047020.db2.gz UQBJEWCDECQNLH-UHFFFAOYSA-N 0 3 240.416 3.620 20 0 BHADHN Cc1cc([C@@H](C)NCCCC2CC2)oc1C ZINC000309397990 350368299 /nfs/dbraw/zinc/36/82/99/350368299.db2.gz GWZZYVGACCNGFJ-LLVKDONJSA-N 0 3 221.344 3.737 20 0 BHADHN Cc1cc([C@H](C)NCCCC2CC2)oc1C ZINC000309397992 350368224 /nfs/dbraw/zinc/36/82/24/350368224.db2.gz GWZZYVGACCNGFJ-NSHDSACASA-N 0 3 221.344 3.737 20 0 BHADHN CC(C)c1csc(CNCC2(C)CCC2)n1 ZINC000309399862 491096629 /nfs/dbraw/zinc/09/66/29/491096629.db2.gz HFPDGBRFTLCOGJ-UHFFFAOYSA-N 0 3 238.400 3.546 20 0 BHADHN Cc1sc(CNCC(C)(C)C)nc1C(C)C ZINC000309405809 385572516 /nfs/dbraw/zinc/57/25/16/385572516.db2.gz XCAACYYUKHTPQF-UHFFFAOYSA-N 0 3 240.416 3.711 20 0 BHADHN Cc1cc([C@@H](C)NCCC(C)(C)C)oc1C ZINC000309406644 383976662 /nfs/dbraw/zinc/97/66/62/383976662.db2.gz IAJWJPDNLQRCPU-LLVKDONJSA-N 0 3 223.360 3.983 20 0 BHADHN Cc1cc([C@H](C)NCCC(C)(C)C)oc1C ZINC000309406646 383977371 /nfs/dbraw/zinc/97/73/71/383977371.db2.gz IAJWJPDNLQRCPU-NSHDSACASA-N 0 3 223.360 3.983 20 0 BHADHN CCCc1csc(CNC(C)(C)CCC)n1 ZINC000309409083 383978073 /nfs/dbraw/zinc/97/80/73/383978073.db2.gz BLHHQBBQZDPBIK-UHFFFAOYSA-N 0 3 240.416 3.764 20 0 BHADHN CC(C)c1cnc(CN[C@@H]2CC[C@@H](C)C2)s1 ZINC000309414672 188168628 /nfs/dbraw/zinc/16/86/28/188168628.db2.gz YOIKHGHUYHOMHM-GHMZBOCLSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1cnc(CN[C@H]2CC[C@@H](C)C2)s1 ZINC000309414673 385575225 /nfs/dbraw/zinc/57/52/25/385575225.db2.gz YOIKHGHUYHOMHM-MNOVXSKESA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1cnc(CN[C@H]2CC[C@H](C)C2)s1 ZINC000309414675 385575452 /nfs/dbraw/zinc/57/54/52/385575452.db2.gz YOIKHGHUYHOMHM-QWRGUYRKSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1cnc(CN[C@@H]2CC[C@H](C)C2)s1 ZINC000309414676 385575005 /nfs/dbraw/zinc/57/50/05/385575005.db2.gz YOIKHGHUYHOMHM-WDEREUQCSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)=CCNCc1cc2ccccc2s1 ZINC000309419372 383983714 /nfs/dbraw/zinc/98/37/14/383983714.db2.gz ZIUPPFGAIOLPPV-UHFFFAOYSA-N 0 3 231.364 3.957 20 0 BHADHN CC(C)=CCCNCc1ccc(Cl)cc1F ZINC000309420214 487681130 /nfs/dbraw/zinc/68/11/30/487681130.db2.gz ZLQDQJDVVJBLFQ-UHFFFAOYSA-N 0 3 241.737 3.925 20 0 BHADHN Cc1cc([C@@H](C)NC/C=C\Cl)cc(C)c1F ZINC000309423244 633051694 /nfs/dbraw/zinc/05/16/94/633051694.db2.gz KBCOQPPYPQJRRE-DOGVGXBMSA-N 0 3 241.737 3.846 20 0 BHADHN Cc1cc([C@@H](C)NC/C=C/Cl)cc(C)c1F ZINC000309423256 633052385 /nfs/dbraw/zinc/05/23/85/633052385.db2.gz KBCOQPPYPQJRRE-SGUJLRQBSA-N 0 3 241.737 3.846 20 0 BHADHN Cc1cc([C@H](C)NC/C=C\Cl)cc(C)c1F ZINC000309423258 633052291 /nfs/dbraw/zinc/05/22/91/633052291.db2.gz KBCOQPPYPQJRRE-WYGGZMRJSA-N 0 3 241.737 3.846 20 0 BHADHN Cc1cc([C@H](C)NC/C=C/Cl)cc(C)c1F ZINC000309423262 633051480 /nfs/dbraw/zinc/05/14/80/633051480.db2.gz KBCOQPPYPQJRRE-ZWNMCFTASA-N 0 3 241.737 3.846 20 0 BHADHN CC1(C)CC[C@H]1NCc1ccc(Cl)cc1F ZINC000309423476 384046274 /nfs/dbraw/zinc/04/62/74/384046274.db2.gz KNHNRLUHGLEKLU-GFCCVEGCSA-N 0 3 241.737 3.757 20 0 BHADHN CC1(C)CC[C@@H]1NCc1ccc(Cl)cc1F ZINC000309423480 384046265 /nfs/dbraw/zinc/04/62/65/384046265.db2.gz KNHNRLUHGLEKLU-LBPRGKRZSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@@H](F)CN[C@H](C)c1c(C)cccc1C ZINC000309435319 384074956 /nfs/dbraw/zinc/07/49/56/384074956.db2.gz HCRMHBXEYOVGNI-CHWSQXEVSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@H](F)CN[C@H](C)c1c(C)cccc1C ZINC000309435321 384074893 /nfs/dbraw/zinc/07/48/93/384074893.db2.gz HCRMHBXEYOVGNI-OLZOCXBDSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@@H](F)CN[C@@H](C)c1c(C)cccc1C ZINC000309435323 384075948 /nfs/dbraw/zinc/07/59/48/384075948.db2.gz HCRMHBXEYOVGNI-QWHCGFSZSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@H](F)CN[C@@H](C)c1c(C)cccc1C ZINC000309435325 384076353 /nfs/dbraw/zinc/07/63/53/384076353.db2.gz HCRMHBXEYOVGNI-STQMWFEESA-N 0 3 223.335 3.702 20 0 BHADHN CCC(C)(C)c1csc([C@@H]2CCCCN2)n1 ZINC000309437672 386010695 /nfs/dbraw/zinc/01/06/95/386010695.db2.gz YTPNGAOWHCKDKE-JTQLQIEISA-N 0 3 238.400 3.645 20 0 BHADHN CCC(C)(C)c1csc([C@H]2CCCCN2)n1 ZINC000309437677 386010843 /nfs/dbraw/zinc/01/08/43/386010843.db2.gz YTPNGAOWHCKDKE-SNVBAGLBSA-N 0 3 238.400 3.645 20 0 BHADHN CC[C@@H](F)CNC(C)(C)c1cccc(C)c1 ZINC000309440048 384078420 /nfs/dbraw/zinc/07/84/20/384078420.db2.gz IHRDAOBVGCTJSD-CYBMUJFWSA-N 0 3 223.335 3.568 20 0 BHADHN CC[C@H](F)CNC(C)(C)c1cccc(C)c1 ZINC000309440049 384078696 /nfs/dbraw/zinc/07/86/96/384078696.db2.gz IHRDAOBVGCTJSD-ZDUSSCGKSA-N 0 3 223.335 3.568 20 0 BHADHN Cc1nc([C@@H](C)NCCC2(C)CC2)c(C)s1 ZINC000309444689 491148354 /nfs/dbraw/zinc/14/83/54/491148354.db2.gz LBEJYQIEJRWZRB-SECBINFHSA-N 0 3 238.400 3.601 20 0 BHADHN Cc1nc([C@H](C)NCCC2(C)CC2)c(C)s1 ZINC000309444692 491148330 /nfs/dbraw/zinc/14/83/30/491148330.db2.gz LBEJYQIEJRWZRB-VIFPVBQESA-N 0 3 238.400 3.601 20 0 BHADHN CC1(C)CC(NCc2c(F)cccc2Cl)C1 ZINC000309445378 384076215 /nfs/dbraw/zinc/07/62/15/384076215.db2.gz LFDXQAVLHMYEBJ-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN CCC(CC)CN[C@@H](C)c1ccc(Cl)cn1 ZINC000309447773 491148422 /nfs/dbraw/zinc/14/84/22/491148422.db2.gz KHNQGUOXDHBQML-JTQLQIEISA-N 0 3 240.778 3.822 20 0 BHADHN CCC(CC)CN[C@H](C)c1ccc(Cl)cn1 ZINC000309447774 491098961 /nfs/dbraw/zinc/09/89/61/491098961.db2.gz KHNQGUOXDHBQML-SNVBAGLBSA-N 0 3 240.778 3.822 20 0 BHADHN C[C@@H]1CCC[C@H](N[C@@H]2CCCC2(F)F)[C@H]1C ZINC000309448905 491148477 /nfs/dbraw/zinc/14/84/77/491148477.db2.gz LZVZOPLPTMJWJV-NOOOWODRSA-N 0 3 231.330 3.589 20 0 BHADHN C[C@@H]1CCC[C@H](N[C@H]2CCCC2(F)F)[C@H]1C ZINC000309448907 491148518 /nfs/dbraw/zinc/14/85/18/491148518.db2.gz LZVZOPLPTMJWJV-RHYQMDGZSA-N 0 3 231.330 3.589 20 0 BHADHN C[C@@H]1CCC[C@H](N[C@@H]2CCCC2(F)F)[C@@H]1C ZINC000309448908 491148539 /nfs/dbraw/zinc/14/85/39/491148539.db2.gz LZVZOPLPTMJWJV-WISYIIOYSA-N 0 3 231.330 3.589 20 0 BHADHN C[C@@H]1CCC[C@H](N[C@H]2CCCC2(F)F)[C@@H]1C ZINC000309448909 491148544 /nfs/dbraw/zinc/14/85/44/491148544.db2.gz LZVZOPLPTMJWJV-WYUUTHIRSA-N 0 3 231.330 3.589 20 0 BHADHN CC(C)=CCCN[C@H](C)c1ccccc1F ZINC000309459279 384088463 /nfs/dbraw/zinc/08/84/63/384088463.db2.gz OJMSZKNBFULVRW-GFCCVEGCSA-N 0 3 221.319 3.833 20 0 BHADHN CC(C)=CCCN[C@@H](C)c1ccccc1F ZINC000309459280 384087929 /nfs/dbraw/zinc/08/79/29/384087929.db2.gz OJMSZKNBFULVRW-LBPRGKRZSA-N 0 3 221.319 3.833 20 0 BHADHN C[C@H](CCNC(C)(C)CF)c1ccccc1 ZINC000309461392 384087715 /nfs/dbraw/zinc/08/77/15/384087715.db2.gz OXAJSHJMFXADRK-GFCCVEGCSA-N 0 3 223.335 3.518 20 0 BHADHN C[C@@H](CCNC(C)(C)CF)c1ccccc1 ZINC000309461394 533607425 /nfs/dbraw/zinc/60/74/25/533607425.db2.gz OXAJSHJMFXADRK-LBPRGKRZSA-N 0 3 223.335 3.518 20 0 BHADHN Cc1cc([C@@H](C)NCC2(C)CCC2)oc1C ZINC000309461504 178222326 /nfs/dbraw/zinc/22/23/26/178222326.db2.gz OZBIGMPCBXUBIU-LLVKDONJSA-N 0 3 221.344 3.737 20 0 BHADHN Cc1cc([C@H](C)NCC2(C)CCC2)oc1C ZINC000309461505 178245310 /nfs/dbraw/zinc/24/53/10/178245310.db2.gz OZBIGMPCBXUBIU-NSHDSACASA-N 0 3 221.344 3.737 20 0 BHADHN CC[C@@H](F)CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000309462672 384088533 /nfs/dbraw/zinc/08/85/33/384088533.db2.gz OIDPYDFPYXLGAS-GXTWGEPZSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@H](F)CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000309462673 384088956 /nfs/dbraw/zinc/08/89/56/384088956.db2.gz OIDPYDFPYXLGAS-JSGCOSHPSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@H](F)CN[C@H](C)c1cc(C)cc(C)c1 ZINC000309462674 384089290 /nfs/dbraw/zinc/08/92/90/384089290.db2.gz OIDPYDFPYXLGAS-OCCSQVGLSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@@H](F)CN[C@H](C)c1cc(C)cc(C)c1 ZINC000309462676 529553438 /nfs/dbraw/zinc/55/34/38/529553438.db2.gz OIDPYDFPYXLGAS-TZMCWYRMSA-N 0 3 223.335 3.702 20 0 BHADHN CCc1cnc(CNC2(C)CCCCC2)s1 ZINC000309466414 347069912 /nfs/dbraw/zinc/06/99/12/347069912.db2.gz PNGBFESMZJALKZ-UHFFFAOYSA-N 0 3 238.400 3.518 20 0 BHADHN Cc1nc([C@H](C)NCCCC(C)(C)C)cs1 ZINC000309467734 180049618 /nfs/dbraw/zinc/04/96/18/180049618.db2.gz QJRUUNMFOOGLJS-JTQLQIEISA-N 0 3 240.416 3.928 20 0 BHADHN Cc1nc([C@@H](C)NCCCC(C)(C)C)cs1 ZINC000309467736 180035939 /nfs/dbraw/zinc/03/59/39/180035939.db2.gz QJRUUNMFOOGLJS-SNVBAGLBSA-N 0 3 240.416 3.928 20 0 BHADHN CC[C@@H](F)CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000309468406 384090643 /nfs/dbraw/zinc/09/06/43/384090643.db2.gz QBIPAKBPPHIYIT-GXTWGEPZSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@H](F)CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000309468407 384091855 /nfs/dbraw/zinc/09/18/55/384091855.db2.gz QBIPAKBPPHIYIT-JSGCOSHPSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@H](F)CN[C@H](C)c1ccc(C)c(C)c1 ZINC000309468408 384091934 /nfs/dbraw/zinc/09/19/34/384091934.db2.gz QBIPAKBPPHIYIT-OCCSQVGLSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@@H](F)CN[C@H](C)c1ccc(C)c(C)c1 ZINC000309468409 384091416 /nfs/dbraw/zinc/09/14/16/384091416.db2.gz QBIPAKBPPHIYIT-TZMCWYRMSA-N 0 3 223.335 3.702 20 0 BHADHN CC1(C)CC[C@H]1NCc1cccc(Cl)c1F ZINC000309472095 384091795 /nfs/dbraw/zinc/09/17/95/384091795.db2.gz XFAGFAAJNJDMPZ-LLVKDONJSA-N 0 3 241.737 3.757 20 0 BHADHN CC1(C)CC[C@@H]1NCc1cccc(Cl)c1F ZINC000309472096 384091078 /nfs/dbraw/zinc/09/10/78/384091078.db2.gz XFAGFAAJNJDMPZ-NSHDSACASA-N 0 3 241.737 3.757 20 0 BHADHN Cc1ccoc1CNCC(C)(C)C(C)(C)C ZINC000309473590 384090574 /nfs/dbraw/zinc/09/05/74/384090574.db2.gz BERRERSPIQGMJK-UHFFFAOYSA-N 0 3 223.360 3.750 20 0 BHADHN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1ccoc1 ZINC000309475068 387806164 /nfs/dbraw/zinc/80/61/64/387806164.db2.gz RTQGDMXQNDREKU-GXSJLCMTSA-N 0 3 229.270 3.508 20 0 BHADHN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1ccoc1 ZINC000309475069 387806841 /nfs/dbraw/zinc/80/68/41/387806841.db2.gz RTQGDMXQNDREKU-KOLCDFICSA-N 0 3 229.270 3.508 20 0 BHADHN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1ccoc1 ZINC000309475070 323415957 /nfs/dbraw/zinc/41/59/57/323415957.db2.gz RTQGDMXQNDREKU-MWLCHTKSSA-N 0 3 229.270 3.508 20 0 BHADHN C[C@H](N[C@H]1CCCC(F)(F)C1)c1ccoc1 ZINC000309475071 323415826 /nfs/dbraw/zinc/41/58/26/323415826.db2.gz RTQGDMXQNDREKU-ONGXEEELSA-N 0 3 229.270 3.508 20 0 BHADHN Cc1csc(CNCC(C)(C)C(C)(C)C)n1 ZINC000309475926 385607655 /nfs/dbraw/zinc/60/76/55/385607655.db2.gz BXNGEPJCBFARTB-UHFFFAOYSA-N 0 3 240.416 3.613 20 0 BHADHN CC[C@@](C)(NCC1(C)CCC1)c1nccs1 ZINC000309476863 171174520 /nfs/dbraw/zinc/17/45/20/171174520.db2.gz RYKSSZGAFOPZSH-CYBMUJFWSA-N 0 3 238.400 3.548 20 0 BHADHN CC[C@](C)(NCC1(C)CCC1)c1nccs1 ZINC000309476865 385602301 /nfs/dbraw/zinc/60/23/01/385602301.db2.gz RYKSSZGAFOPZSH-ZDUSSCGKSA-N 0 3 238.400 3.548 20 0 BHADHN CC/C=C\CCNC(C)(C)c1ncc(C)s1 ZINC000309479296 385605648 /nfs/dbraw/zinc/60/56/48/385605648.db2.gz AAVSZBRTRJCUNX-SREVYHEPSA-N 0 3 238.400 3.633 20 0 BHADHN C[C@H](NCCCC1CC1)c1ccc(Cl)cn1 ZINC000309493867 387808756 /nfs/dbraw/zinc/80/87/56/387808756.db2.gz SVMBZPYBGBPTQS-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCCCC1CC1)c1ccc(Cl)cn1 ZINC000309493868 387810634 /nfs/dbraw/zinc/81/06/34/387810634.db2.gz SVMBZPYBGBPTQS-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN CCc1nc([C@H](C)NCC2(C)CCC2)cs1 ZINC000309494321 172006548 /nfs/dbraw/zinc/00/65/48/172006548.db2.gz XZOLZDFQIZYTHB-JTQLQIEISA-N 0 3 238.400 3.546 20 0 BHADHN CCc1nc([C@@H](C)NCC2(C)CCC2)cs1 ZINC000309494324 172002596 /nfs/dbraw/zinc/00/25/96/172002596.db2.gz XZOLZDFQIZYTHB-SNVBAGLBSA-N 0 3 238.400 3.546 20 0 BHADHN C[C@H](NCC(C)(C)C(C)(C)C)c1nccs1 ZINC000309496501 384098836 /nfs/dbraw/zinc/09/88/36/384098836.db2.gz KISXVYMGYLCRCK-JTQLQIEISA-N 0 3 240.416 3.866 20 0 BHADHN C[C@@H](NCC(C)(C)C(C)(C)C)c1nccs1 ZINC000309496502 384098645 /nfs/dbraw/zinc/09/86/45/384098645.db2.gz KISXVYMGYLCRCK-SNVBAGLBSA-N 0 3 240.416 3.866 20 0 BHADHN FC1(F)CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000309498856 385624735 /nfs/dbraw/zinc/62/47/35/385624735.db2.gz KZWCWTVWJWEGTL-MRVPVSSYSA-N 0 3 249.688 3.601 20 0 BHADHN FC1(F)CCC[C@H](NCc2ccc(Cl)o2)C1 ZINC000309498857 385623810 /nfs/dbraw/zinc/62/38/10/385623810.db2.gz KZWCWTVWJWEGTL-QMMMGPOBSA-N 0 3 249.688 3.601 20 0 BHADHN CCc1ccc([C@@H](C)NCC(C)(C)CC)o1 ZINC000309502290 384113592 /nfs/dbraw/zinc/11/35/92/384113592.db2.gz ADCKHIGZLOPJOP-LLVKDONJSA-N 0 3 223.360 3.929 20 0 BHADHN CCc1ccc([C@H](C)NCC(C)(C)CC)o1 ZINC000309502293 384113985 /nfs/dbraw/zinc/11/39/85/384113985.db2.gz ADCKHIGZLOPJOP-NSHDSACASA-N 0 3 223.360 3.929 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CC[C@@H](C)C2)oc1C ZINC000309505309 178257730 /nfs/dbraw/zinc/25/77/30/178257730.db2.gz BUNOKIOMTPZCOK-CDMKHQONSA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CC[C@H](C)C2)oc1C ZINC000309505310 178259539 /nfs/dbraw/zinc/25/95/39/178259539.db2.gz BUNOKIOMTPZCOK-GAFUQQFSSA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C)C2)oc1C ZINC000309505311 178255809 /nfs/dbraw/zinc/25/58/09/178255809.db2.gz BUNOKIOMTPZCOK-SUZMYJTESA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C)C2)oc1C ZINC000309505312 178256238 /nfs/dbraw/zinc/25/62/38/178256238.db2.gz BUNOKIOMTPZCOK-XHVZSJERSA-N 0 3 221.344 3.736 20 0 BHADHN C[C@H](NCC12CCC(CC1)C2)c1ccco1 ZINC000309506120 385642493 /nfs/dbraw/zinc/64/24/93/385642493.db2.gz BYFNFYVKFFJUDL-DCBWTQNWSA-N 0 3 219.328 3.511 20 0 BHADHN C[C@@H](NCC12CCC(CC1)C2)c1ccco1 ZINC000309506123 385641632 /nfs/dbraw/zinc/64/16/32/385641632.db2.gz BYFNFYVKFFJUDL-LKSINWNRSA-N 0 3 219.328 3.511 20 0 BHADHN C[C@H](NCC(C)(C)C(C)(C)C)c1cscn1 ZINC000309510846 350685450 /nfs/dbraw/zinc/68/54/50/350685450.db2.gz PFWIMHZZUSWHEH-JTQLQIEISA-N 0 3 240.416 3.866 20 0 BHADHN C[C@@H](NCC(C)(C)C(C)(C)C)c1cscn1 ZINC000309510847 350685444 /nfs/dbraw/zinc/68/54/44/350685444.db2.gz PFWIMHZZUSWHEH-SNVBAGLBSA-N 0 3 240.416 3.866 20 0 BHADHN Cc1ccc(CCN[C@H](C)c2ccsc2)o1 ZINC000309511432 323420627 /nfs/dbraw/zinc/42/06/27/323420627.db2.gz XKKNDMNAKJEKGZ-LLVKDONJSA-N 0 3 235.352 3.543 20 0 BHADHN Cc1ccc(CCN[C@@H](C)c2ccsc2)o1 ZINC000309511433 387814115 /nfs/dbraw/zinc/81/41/15/387814115.db2.gz XKKNDMNAKJEKGZ-NSHDSACASA-N 0 3 235.352 3.543 20 0 BHADHN Cc1ccsc1[C@@H](C)NCCOC(C)(C)C ZINC000309519768 387815175 /nfs/dbraw/zinc/81/51/75/387815175.db2.gz ZQWXNMVXBPZODH-LLVKDONJSA-N 0 3 241.400 3.522 20 0 BHADHN Cc1ccsc1[C@H](C)NCCOC(C)(C)C ZINC000309519769 323422390 /nfs/dbraw/zinc/42/23/90/323422390.db2.gz ZQWXNMVXBPZODH-NSHDSACASA-N 0 3 241.400 3.522 20 0 BHADHN FCCNC1(c2cccc(Cl)c2)CCCC1 ZINC000309523928 384116345 /nfs/dbraw/zinc/11/63/45/384116345.db2.gz AJAQMMIJZLXJMI-UHFFFAOYSA-N 0 3 241.737 3.668 20 0 BHADHN FC(F)(F)c1cscc1CNC1CC=CC1 ZINC000309524353 491149938 /nfs/dbraw/zinc/14/99/38/491149938.db2.gz AOQGMDFOBMHANX-UHFFFAOYSA-N 0 3 247.285 3.575 20 0 BHADHN Cc1nc([C@H](C)NC(C(C)C)C(C)C)cs1 ZINC000309525680 491149949 /nfs/dbraw/zinc/14/99/49/491149949.db2.gz BBYVXXIVVCSPKX-JTQLQIEISA-N 0 3 240.416 3.783 20 0 BHADHN Cc1nc([C@@H](C)NC(C(C)C)C(C)C)cs1 ZINC000309525682 491149925 /nfs/dbraw/zinc/14/99/25/491149925.db2.gz BBYVXXIVVCSPKX-SNVBAGLBSA-N 0 3 240.416 3.783 20 0 BHADHN Clc1ccccc1CN[C@@H]1CC12CCCC2 ZINC000309530592 388455911 /nfs/dbraw/zinc/45/59/11/388455911.db2.gz VVOBPPSQJVBRLE-CYBMUJFWSA-N 0 3 235.758 3.762 20 0 BHADHN Clc1ccccc1CN[C@H]1CC12CCCC2 ZINC000309530594 388455777 /nfs/dbraw/zinc/45/57/77/388455777.db2.gz VVOBPPSQJVBRLE-ZDUSSCGKSA-N 0 3 235.758 3.762 20 0 BHADHN Cc1ccc(CNCC(C)(C)C(C)(C)C)o1 ZINC000309537113 384122546 /nfs/dbraw/zinc/12/25/46/384122546.db2.gz XHSJCVVOWIQHEX-UHFFFAOYSA-N 0 3 223.360 3.750 20 0 BHADHN CC(C)CCCNCc1nc(C2CC2)cs1 ZINC000309539564 385673469 /nfs/dbraw/zinc/67/34/69/385673469.db2.gz DMORZHTXXWDBCK-UHFFFAOYSA-N 0 3 238.400 3.546 20 0 BHADHN Cc1ccc([C@@H](C)NCC2CC(C)(C)C2)o1 ZINC000309542179 491150911 /nfs/dbraw/zinc/15/09/11/491150911.db2.gz GBSFJZCXMFHXJX-LLVKDONJSA-N 0 3 221.344 3.675 20 0 BHADHN Cc1ccc([C@H](C)NCC2CC(C)(C)C2)o1 ZINC000309542180 491150897 /nfs/dbraw/zinc/15/08/97/491150897.db2.gz GBSFJZCXMFHXJX-NSHDSACASA-N 0 3 221.344 3.675 20 0 BHADHN Clc1ccccc1CNC1CC2(CCC2)C1 ZINC000309543959 385680131 /nfs/dbraw/zinc/68/01/31/385680131.db2.gz ZBSVKHIWWFLCQP-UHFFFAOYSA-N 0 3 235.758 3.762 20 0 BHADHN Clc1ccccc1CN[C@@H]1CCC12CCC2 ZINC000309545248 385678576 /nfs/dbraw/zinc/67/85/76/385678576.db2.gz ZNXXANZNAARPCO-CYBMUJFWSA-N 0 3 235.758 3.762 20 0 BHADHN Clc1ccccc1CN[C@H]1CCC12CCC2 ZINC000309545250 385678874 /nfs/dbraw/zinc/67/88/74/385678874.db2.gz ZNXXANZNAARPCO-ZDUSSCGKSA-N 0 3 235.758 3.762 20 0 BHADHN FC(F)(F)C1(CNCc2ccsc2)CCC1 ZINC000309546227 385679679 /nfs/dbraw/zinc/67/96/79/385679679.db2.gz DLPZNAYHOVIFSD-UHFFFAOYSA-N 0 3 249.301 3.570 20 0 BHADHN C[C@H](F)CCNC1(c2ccc(Cl)cc2)CC1 ZINC000309550214 384121774 /nfs/dbraw/zinc/12/17/74/384121774.db2.gz HYZBPOCRLOHJSD-JTQLQIEISA-N 0 3 241.737 3.667 20 0 BHADHN C[C@@H](F)CCNC1(c2ccc(Cl)cc2)CC1 ZINC000309550215 384121758 /nfs/dbraw/zinc/12/17/58/384121758.db2.gz HYZBPOCRLOHJSD-SNVBAGLBSA-N 0 3 241.737 3.667 20 0 BHADHN c1csc(CNCCC2=CCCCCC2)n1 ZINC000309559508 491151521 /nfs/dbraw/zinc/15/15/21/491151521.db2.gz NYTYITIIUNXXKR-UHFFFAOYSA-N 0 3 236.384 3.513 20 0 BHADHN Clc1ccc(CN[C@@H]2CCC23CCCC3)o1 ZINC000309561245 385691358 /nfs/dbraw/zinc/69/13/58/385691358.db2.gz JIZGNQDTHYCQSE-LLVKDONJSA-N 0 3 239.746 3.745 20 0 BHADHN Clc1ccc(CN[C@H]2CCC23CCCC3)o1 ZINC000309561246 385691883 /nfs/dbraw/zinc/69/18/83/385691883.db2.gz JIZGNQDTHYCQSE-NSHDSACASA-N 0 3 239.746 3.745 20 0 BHADHN Fc1cc(Cl)ccc1CN[C@@H]1C=CCCC1 ZINC000309561290 259316655 /nfs/dbraw/zinc/31/66/55/259316655.db2.gz JLNMYYYKRDTUDB-GFCCVEGCSA-N 0 3 239.721 3.677 20 0 BHADHN Fc1cc(Cl)ccc1CN[C@H]1C=CCCC1 ZINC000309561291 259316365 /nfs/dbraw/zinc/31/63/65/259316365.db2.gz JLNMYYYKRDTUDB-LBPRGKRZSA-N 0 3 239.721 3.677 20 0 BHADHN C[C@H](F)CCNC1(c2cccc(Cl)c2)CC1 ZINC000309561859 259315856 /nfs/dbraw/zinc/31/58/56/259315856.db2.gz LHGFKHPJFAAJOI-JTQLQIEISA-N 0 3 241.737 3.667 20 0 BHADHN C[C@@H](F)CCNC1(c2cccc(Cl)c2)CC1 ZINC000309561861 259315906 /nfs/dbraw/zinc/31/59/06/259315906.db2.gz LHGFKHPJFAAJOI-SNVBAGLBSA-N 0 3 241.737 3.667 20 0 BHADHN C[C@H](NC1(C2CC2)CC1)c1ccccc1Cl ZINC000309562638 326160896 /nfs/dbraw/zinc/16/08/96/326160896.db2.gz LKLWGUZHIHRCCZ-JTQLQIEISA-N 0 3 235.758 3.933 20 0 BHADHN C[C@@H](NC1(C2CC2)CC1)c1ccccc1Cl ZINC000309562639 326161020 /nfs/dbraw/zinc/16/10/20/326161020.db2.gz LKLWGUZHIHRCCZ-SNVBAGLBSA-N 0 3 235.758 3.933 20 0 BHADHN Fc1cc(Cl)cc(CNC2(C3CC3)CC2)c1 ZINC000309567757 326161111 /nfs/dbraw/zinc/16/11/11/326161111.db2.gz LMKLBRKJAMSFDS-UHFFFAOYSA-N 0 3 239.721 3.511 20 0 BHADHN C[C@@H](N[C@H](C)C(C)(C)C)c1ccc(Cl)cn1 ZINC000309573258 370231893 /nfs/dbraw/zinc/23/18/93/370231893.db2.gz OENQPKWAPAAZMB-NXEZZACHSA-N 0 3 240.778 3.820 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccc(Cl)cn1)C(C)(C)C ZINC000309573260 370231669 /nfs/dbraw/zinc/23/16/69/370231669.db2.gz OENQPKWAPAAZMB-VHSXEESVSA-N 0 3 240.778 3.820 20 0 BHADHN Cc1nc([C@@H](C)NCC2CC(C)(C)C2)cs1 ZINC000309573597 326159758 /nfs/dbraw/zinc/15/97/58/326159758.db2.gz OGMWONBINZVLOV-SECBINFHSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@H](C)NCC2CC(C)(C)C2)cs1 ZINC000309573600 326159619 /nfs/dbraw/zinc/15/96/19/326159619.db2.gz OGMWONBINZVLOV-VIFPVBQESA-N 0 3 238.400 3.538 20 0 BHADHN Fc1ccc(Cl)c(CNC2(C3CC3)CC2)c1 ZINC000309576283 326161383 /nfs/dbraw/zinc/16/13/83/326161383.db2.gz OXCOJXLVBVLXRM-UHFFFAOYSA-N 0 3 239.721 3.511 20 0 BHADHN Fc1cc(Cl)cc(CN[C@@H]2C=CCCC2)c1 ZINC000309576786 388458130 /nfs/dbraw/zinc/45/81/30/388458130.db2.gz PAHQLPUOTVVAOR-CYBMUJFWSA-N 0 3 239.721 3.677 20 0 BHADHN Fc1cc(Cl)cc(CN[C@H]2C=CCCC2)c1 ZINC000309576788 388458427 /nfs/dbraw/zinc/45/84/27/388458427.db2.gz PAHQLPUOTVVAOR-ZDUSSCGKSA-N 0 3 239.721 3.677 20 0 BHADHN FCCN[C@@H]1CCCCc2ccc(Cl)cc21 ZINC000309577742 385709243 /nfs/dbraw/zinc/70/92/43/385709243.db2.gz PHGRIIZWRBTEFT-CYBMUJFWSA-N 0 3 241.737 3.667 20 0 BHADHN FCCN[C@H]1CCCCc2ccc(Cl)cc21 ZINC000309577743 385708865 /nfs/dbraw/zinc/70/88/65/385708865.db2.gz PHGRIIZWRBTEFT-ZDUSSCGKSA-N 0 3 241.737 3.667 20 0 BHADHN Cc1ccc2cc([C@H](C)NC3CC3)oc2c1 ZINC000309580457 385706631 /nfs/dbraw/zinc/70/66/31/385706631.db2.gz QFQBOBISMQDNIS-JTQLQIEISA-N 0 3 215.296 3.554 20 0 BHADHN Cc1ccc2cc([C@@H](C)NC3CC3)oc2c1 ZINC000309580459 385707638 /nfs/dbraw/zinc/70/76/38/385707638.db2.gz QFQBOBISMQDNIS-SNVBAGLBSA-N 0 3 215.296 3.554 20 0 BHADHN FC(F)(F)c1ccc(CNC2CC=CC2)s1 ZINC000309580483 491152096 /nfs/dbraw/zinc/15/20/96/491152096.db2.gz QCKYNIXHAVUZQN-UHFFFAOYSA-N 0 3 247.285 3.575 20 0 BHADHN Cc1cccc([C@H](C)N[C@H]2CSC2(C)C)c1 ZINC000309585711 384157771 /nfs/dbraw/zinc/15/77/71/384157771.db2.gz RSZOFVYZFKYVDM-AAEUAGOBSA-N 0 3 235.396 3.540 20 0 BHADHN Cc1cccc([C@@H](C)N[C@@H]2CSC2(C)C)c1 ZINC000309585712 384158022 /nfs/dbraw/zinc/15/80/22/384158022.db2.gz RSZOFVYZFKYVDM-DGCLKSJQSA-N 0 3 235.396 3.540 20 0 BHADHN Cc1cccc([C@H](C)N[C@@H]2CSC2(C)C)c1 ZINC000309585713 384157533 /nfs/dbraw/zinc/15/75/33/384157533.db2.gz RSZOFVYZFKYVDM-WCQYABFASA-N 0 3 235.396 3.540 20 0 BHADHN Cc1cccc([C@@H](C)N[C@H]2CSC2(C)C)c1 ZINC000309585714 384157675 /nfs/dbraw/zinc/15/76/75/384157675.db2.gz RSZOFVYZFKYVDM-YPMHNXCESA-N 0 3 235.396 3.540 20 0 BHADHN C[C@@H](CNC1(C(F)F)CCCC1)C(C)(C)C ZINC000309586814 491150803 /nfs/dbraw/zinc/15/08/03/491150803.db2.gz SBUGQTHHZWNSKL-JTQLQIEISA-N 0 3 233.346 3.836 20 0 BHADHN C[C@H](CNC1(C(F)F)CCCC1)C(C)(C)C ZINC000309586815 491150819 /nfs/dbraw/zinc/15/08/19/491150819.db2.gz SBUGQTHHZWNSKL-SNVBAGLBSA-N 0 3 233.346 3.836 20 0 BHADHN C[C@H](N[C@@H]1CCC12CCCC2)c1cscn1 ZINC000309587630 385713195 /nfs/dbraw/zinc/71/31/95/385713195.db2.gz SNIKJRMZKHSRDZ-CMPLNLGQSA-N 0 3 236.384 3.517 20 0 BHADHN C[C@H](N[C@H]1CCC12CCCC2)c1cscn1 ZINC000309587631 384572999 /nfs/dbraw/zinc/57/29/99/384572999.db2.gz SNIKJRMZKHSRDZ-JQWIXIFHSA-N 0 3 236.384 3.517 20 0 BHADHN C[C@@H](N[C@H]1CCC12CCCC2)c1cscn1 ZINC000309587632 385712826 /nfs/dbraw/zinc/71/28/26/385712826.db2.gz SNIKJRMZKHSRDZ-PWSUYJOCSA-N 0 3 236.384 3.517 20 0 BHADHN C[C@@H](N[C@@H]1CCC12CCCC2)c1cscn1 ZINC000309587633 384573256 /nfs/dbraw/zinc/57/32/56/384573256.db2.gz SNIKJRMZKHSRDZ-ZYHUDNBSSA-N 0 3 236.384 3.517 20 0 BHADHN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000309588536 176214383 /nfs/dbraw/zinc/21/43/83/176214383.db2.gz SZPSPIWDODLNCG-CKYFFXLPSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000309588538 176234617 /nfs/dbraw/zinc/23/46/17/176234617.db2.gz SZPSPIWDODLNCG-FOGDFJRCSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000309588539 385718164 /nfs/dbraw/zinc/71/81/64/385718164.db2.gz SZPSPIWDODLNCG-JFGNBEQYSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000309588540 385718349 /nfs/dbraw/zinc/71/83/49/385718349.db2.gz SZPSPIWDODLNCG-SCVCMEIPSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](CF)N[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000309589021 384157226 /nfs/dbraw/zinc/15/72/26/384157226.db2.gz UAYODMNREBTYLC-GMTAPVOTSA-N 0 3 243.753 3.780 20 0 BHADHN C[C@H](CF)N[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000309589022 384158507 /nfs/dbraw/zinc/15/85/07/384158507.db2.gz UAYODMNREBTYLC-MXWKQRLJSA-N 0 3 243.753 3.780 20 0 BHADHN C[C@H](CF)N[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000309589023 384157271 /nfs/dbraw/zinc/15/72/71/384157271.db2.gz UAYODMNREBTYLC-OUAUKWLOSA-N 0 3 243.753 3.780 20 0 BHADHN C[C@H](CF)N[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000309589024 384158876 /nfs/dbraw/zinc/15/88/76/384158876.db2.gz UAYODMNREBTYLC-VWYCJHECSA-N 0 3 243.753 3.780 20 0 BHADHN Cc1cc([C@H](C)NC2CC(C)(C)C2)c(C)o1 ZINC000309589733 178245326 /nfs/dbraw/zinc/24/53/26/178245326.db2.gz UKQPGNMZFDKEJA-JTQLQIEISA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@@H](C)NC2CC(C)(C)C2)c(C)o1 ZINC000309589734 178222594 /nfs/dbraw/zinc/22/25/94/178222594.db2.gz UKQPGNMZFDKEJA-SNVBAGLBSA-N 0 3 221.344 3.736 20 0 BHADHN C[C@@H](F)CCN[C@@H](C)c1ccc(F)cc1Cl ZINC000309591499 388458330 /nfs/dbraw/zinc/45/83/30/388458330.db2.gz UWYHRMMSQNQQDK-BDAKNGLRSA-N 0 3 247.716 3.878 20 0 BHADHN C[C@@H](NCC[C@H](C)F)c1ccc(F)cc1Cl ZINC000309591501 388458269 /nfs/dbraw/zinc/45/82/69/388458269.db2.gz UWYHRMMSQNQQDK-DTWKUNHWSA-N 0 3 247.716 3.878 20 0 BHADHN C[C@H](F)CCN[C@@H](C)c1ccc(F)cc1Cl ZINC000309591503 388458336 /nfs/dbraw/zinc/45/83/36/388458336.db2.gz UWYHRMMSQNQQDK-IUCAKERBSA-N 0 3 247.716 3.878 20 0 BHADHN C[C@@H](F)CCN[C@H](C)c1ccc(F)cc1Cl ZINC000309591505 388458362 /nfs/dbraw/zinc/45/83/62/388458362.db2.gz UWYHRMMSQNQQDK-RKDXNWHRSA-N 0 3 247.716 3.878 20 0 BHADHN CC(C)c1ccc(CNC(C)(C)CF)cc1 ZINC000309591744 388458224 /nfs/dbraw/zinc/45/82/24/388458224.db2.gz VAYKZURJQMBJEP-UHFFFAOYSA-N 0 3 223.335 3.648 20 0 BHADHN FCCN[C@H]1CCC[C@H]1c1ccccc1Cl ZINC000309593657 385723159 /nfs/dbraw/zinc/72/31/59/385723159.db2.gz TUXHZMSBLZCPLU-AAEUAGOBSA-N 0 3 241.737 3.535 20 0 BHADHN FCCN[C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000309593658 385723348 /nfs/dbraw/zinc/72/33/48/385723348.db2.gz TUXHZMSBLZCPLU-DGCLKSJQSA-N 0 3 241.737 3.535 20 0 BHADHN FCCN[C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000309593659 385721927 /nfs/dbraw/zinc/72/19/27/385721927.db2.gz TUXHZMSBLZCPLU-WCQYABFASA-N 0 3 241.737 3.535 20 0 BHADHN FCCN[C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000309593660 384587543 /nfs/dbraw/zinc/58/75/43/384587543.db2.gz TUXHZMSBLZCPLU-YPMHNXCESA-N 0 3 241.737 3.535 20 0 BHADHN Clc1ccc(CNC2CCC3(CC3)CC2)o1 ZINC000309597089 385724488 /nfs/dbraw/zinc/72/44/88/385724488.db2.gz UYIUDTPERIWSGQ-UHFFFAOYSA-N 0 3 239.746 3.745 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccc(F)c(C)c1 ZINC000309598702 384157695 /nfs/dbraw/zinc/15/76/95/384157695.db2.gz XBHISGYCTUMNDX-GFCCVEGCSA-N 0 3 221.319 3.751 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccc(F)c(C)c1 ZINC000309598703 384157660 /nfs/dbraw/zinc/15/76/60/384157660.db2.gz XBHISGYCTUMNDX-LBPRGKRZSA-N 0 3 221.319 3.751 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CSC2(C)C)cc1 ZINC000309601532 388458747 /nfs/dbraw/zinc/45/87/47/388458747.db2.gz XSHVLRRGJXZPLO-AAEUAGOBSA-N 0 3 235.396 3.540 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CSC2(C)C)cc1 ZINC000309601533 388459152 /nfs/dbraw/zinc/45/91/52/388459152.db2.gz XSHVLRRGJXZPLO-DGCLKSJQSA-N 0 3 235.396 3.540 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CSC2(C)C)cc1 ZINC000309601534 388459109 /nfs/dbraw/zinc/45/91/09/388459109.db2.gz XSHVLRRGJXZPLO-WCQYABFASA-N 0 3 235.396 3.540 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2CSC2(C)C)cc1 ZINC000309601535 388458983 /nfs/dbraw/zinc/45/89/83/388458983.db2.gz XSHVLRRGJXZPLO-YPMHNXCESA-N 0 3 235.396 3.540 20 0 BHADHN CC(C)c1csc(CN[C@@H]2CCC2(C)C)n1 ZINC000309602403 167654208 /nfs/dbraw/zinc/65/42/08/167654208.db2.gz XXIUPBADLBLOPX-LLVKDONJSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1csc(CN[C@H]2CCC2(C)C)n1 ZINC000309602404 385737188 /nfs/dbraw/zinc/73/71/88/385737188.db2.gz XXIUPBADLBLOPX-NSHDSACASA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)=CCNC(C)(C)c1cccc(F)c1 ZINC000309604852 384168381 /nfs/dbraw/zinc/16/83/81/384168381.db2.gz KZKSWINOEJMTGK-UHFFFAOYSA-N 0 3 221.319 3.617 20 0 BHADHN FC(F)C1(NCC2CCCC2)CCCCC1 ZINC000309605678 388459094 /nfs/dbraw/zinc/45/90/94/388459094.db2.gz XUGIEFMFGWJFRC-UHFFFAOYSA-N 0 3 231.330 3.734 20 0 BHADHN Fc1c(Cl)cccc1CNC1(C2CC2)CC1 ZINC000309607961 323430696 /nfs/dbraw/zinc/43/06/96/323430696.db2.gz YNEQYDKWYVONRT-UHFFFAOYSA-N 0 3 239.721 3.511 20 0 BHADHN C[C@@H](NC1CCC2(CC2)CC1)c1ccco1 ZINC000309609834 385739208 /nfs/dbraw/zinc/73/92/08/385739208.db2.gz ZQSLFTJSGRBVHD-LLVKDONJSA-N 0 3 219.328 3.653 20 0 BHADHN C[C@H](NC1CCC2(CC2)CC1)c1ccco1 ZINC000309609835 385739685 /nfs/dbraw/zinc/73/96/85/385739685.db2.gz ZQSLFTJSGRBVHD-NSHDSACASA-N 0 3 219.328 3.653 20 0 BHADHN Fc1ccc([C@H](NC/C=C\Cl)C2CC2)cc1 ZINC000309611874 632581811 /nfs/dbraw/zinc/58/18/11/632581811.db2.gz ZPISILMTWABDCF-GVPMDHLDSA-N 0 3 239.721 3.619 20 0 BHADHN Fc1ccc([C@@H](NC/C=C\Cl)C2CC2)cc1 ZINC000309611876 632583577 /nfs/dbraw/zinc/58/35/77/632583577.db2.gz ZPISILMTWABDCF-QJEKGUCUSA-N 0 3 239.721 3.619 20 0 BHADHN Fc1ccc(CNC2(C3CC3)CC2)c(Cl)c1 ZINC000309611932 323432804 /nfs/dbraw/zinc/43/28/04/323432804.db2.gz ZRHMZSOZWMTBCF-UHFFFAOYSA-N 0 3 239.721 3.511 20 0 BHADHN CC(C)=CCN[C@H]1CCc2c1cccc2C ZINC000309613059 388459169 /nfs/dbraw/zinc/45/91/69/388459169.db2.gz NBBUHPQHYUMIQP-HNNXBMFYSA-N 0 3 215.340 3.538 20 0 BHADHN CC(C)=CCN[C@@H]1CCc2c1cccc2C ZINC000309613060 388458934 /nfs/dbraw/zinc/45/89/34/388458934.db2.gz NBBUHPQHYUMIQP-OAHLLOKOSA-N 0 3 215.340 3.538 20 0 BHADHN CCC[C@H](C)[C@@H](CC)N[C@H](C)c1ccon1 ZINC000309613857 384167412 /nfs/dbraw/zinc/16/74/12/384167412.db2.gz BBFGFYOESCBBCI-QJPTWQEYSA-N 0 3 224.348 3.540 20 0 BHADHN CCC[C@H](C)[C@@H](CC)N[C@@H](C)c1ccon1 ZINC000309613858 384167594 /nfs/dbraw/zinc/16/75/94/384167594.db2.gz BBFGFYOESCBBCI-SDDRHHMPSA-N 0 3 224.348 3.540 20 0 BHADHN CCC[C@H](C)[C@H](CC)N[C@@H](C)c1ccon1 ZINC000309613859 528076821 /nfs/dbraw/zinc/07/68/21/528076821.db2.gz BBFGFYOESCBBCI-SRVKXCTJSA-N 0 3 224.348 3.540 20 0 BHADHN CCC[C@H](C)[C@H](CC)N[C@H](C)c1ccon1 ZINC000309613860 384168121 /nfs/dbraw/zinc/16/81/21/384168121.db2.gz BBFGFYOESCBBCI-TUAOUCFPSA-N 0 3 224.348 3.540 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@H]1CC)c1nc(C)cs1 ZINC000309613861 385741866 /nfs/dbraw/zinc/74/18/66/385741866.db2.gz BBPDOPCLRTZZQV-GRYCIOLGSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@@H]1CC)c1nc(C)cs1 ZINC000309613862 535940246 /nfs/dbraw/zinc/94/02/46/535940246.db2.gz BBPDOPCLRTZZQV-SDDRHHMPSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@H](N[C@H]1CC[C@@H]1CC)c1nc(C)cs1 ZINC000309613863 385742694 /nfs/dbraw/zinc/74/26/94/385742694.db2.gz BBPDOPCLRTZZQV-SRVKXCTJSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@H](N[C@H]1CC[C@H]1CC)c1nc(C)cs1 ZINC000309613864 171549419 /nfs/dbraw/zinc/54/94/19/171549419.db2.gz BBPDOPCLRTZZQV-WOPDTQHZSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H]1CC[C@@H]1N[C@@H]1CSc2ccccc21 ZINC000309620880 384164759 /nfs/dbraw/zinc/16/47/59/384164759.db2.gz DFKOYAKIFRVZPX-KGYLQXTDSA-N 0 3 233.380 3.612 20 0 BHADHN CC[C@@H]1CC[C@H]1N[C@@H]1CSc2ccccc21 ZINC000309620882 384165784 /nfs/dbraw/zinc/16/57/84/384165784.db2.gz DFKOYAKIFRVZPX-RAIGVLPGSA-N 0 3 233.380 3.612 20 0 BHADHN CC[C@@H]1CC[C@H]1N[C@H]1CSc2ccccc21 ZINC000309620884 384164863 /nfs/dbraw/zinc/16/48/63/384164863.db2.gz DFKOYAKIFRVZPX-RTXFEEFZSA-N 0 3 233.380 3.612 20 0 BHADHN CC[C@@H]1CC[C@@H]1N[C@H]1CSc2ccccc21 ZINC000309620886 384164846 /nfs/dbraw/zinc/16/48/46/384164846.db2.gz DFKOYAKIFRVZPX-WXHSDQCUSA-N 0 3 233.380 3.612 20 0 BHADHN CCc1ccc([C@@H](C)NC[C@H]2CC2(C)C)o1 ZINC000309624406 388459930 /nfs/dbraw/zinc/45/99/30/388459930.db2.gz GBJUDJFHFTVUKA-GHMZBOCLSA-N 0 3 221.344 3.539 20 0 BHADHN CCc1ccc([C@@H](C)NC[C@@H]2CC2(C)C)o1 ZINC000309624407 388459489 /nfs/dbraw/zinc/45/94/89/388459489.db2.gz GBJUDJFHFTVUKA-MNOVXSKESA-N 0 3 221.344 3.539 20 0 BHADHN CCc1ccc([C@H](C)NC[C@@H]2CC2(C)C)o1 ZINC000309624408 388459843 /nfs/dbraw/zinc/45/98/43/388459843.db2.gz GBJUDJFHFTVUKA-QWRGUYRKSA-N 0 3 221.344 3.539 20 0 BHADHN CCc1ccc([C@H](C)NC[C@H]2CC2(C)C)o1 ZINC000309624409 388459922 /nfs/dbraw/zinc/45/99/22/388459922.db2.gz GBJUDJFHFTVUKA-WDEREUQCSA-N 0 3 221.344 3.539 20 0 BHADHN CCC(CC)NCc1cc(F)c(Cl)cc1F ZINC000309628742 384185819 /nfs/dbraw/zinc/18/58/19/384185819.db2.gz GKRVFAFWULCHBW-UHFFFAOYSA-N 0 3 247.716 3.896 20 0 BHADHN CC(C)C[C@@H](C)C[C@H](C)NCc1cscn1 ZINC000309633427 388460039 /nfs/dbraw/zinc/46/00/39/388460039.db2.gz RSMMQVDXRXNECN-NEPJUHHUSA-N 0 3 240.416 3.694 20 0 BHADHN CC(C)C[C@H](C)C[C@@H](C)NCc1cscn1 ZINC000309633429 528463723 /nfs/dbraw/zinc/46/37/23/528463723.db2.gz RSMMQVDXRXNECN-NWDGAFQWSA-N 0 3 240.416 3.694 20 0 BHADHN CC(C)C[C@H](C)C[C@H](C)NCc1cscn1 ZINC000309633431 388459660 /nfs/dbraw/zinc/45/96/60/388459660.db2.gz RSMMQVDXRXNECN-RYUDHWBXSA-N 0 3 240.416 3.694 20 0 BHADHN CC(C)C[C@@H](C)C[C@@H](C)NCc1cscn1 ZINC000309633433 388460051 /nfs/dbraw/zinc/46/00/51/388460051.db2.gz RSMMQVDXRXNECN-VXGBXAGGSA-N 0 3 240.416 3.694 20 0 BHADHN CCc1cccc(Cl)c1CNCCCCF ZINC000309634405 384184737 /nfs/dbraw/zinc/18/47/37/384184737.db2.gz IYVZUVAGSPNKSN-UHFFFAOYSA-N 0 3 243.753 3.742 20 0 BHADHN Cc1nc(CNC(C(C)C)C(C)C)sc1C ZINC000309637635 491153348 /nfs/dbraw/zinc/15/33/48/491153348.db2.gz SZBCDNPGQBPSLL-UHFFFAOYSA-N 0 3 240.416 3.530 20 0 BHADHN CC(C)=CCNC1(c2ccc(Cl)cc2)CC1 ZINC000309640947 388459974 /nfs/dbraw/zinc/45/99/74/388459974.db2.gz UOENHJFJIVUZIC-UHFFFAOYSA-N 0 3 235.758 3.885 20 0 BHADHN CC(C)(CF)NCc1cc2ccccc2s1 ZINC000309644068 384189447 /nfs/dbraw/zinc/18/94/47/384189447.db2.gz VLIRVDQZWRNGRZ-UHFFFAOYSA-N 0 3 237.343 3.739 20 0 BHADHN CCc1ccc([C@@H](C)NCCSC(C)C)o1 ZINC000309648237 385767428 /nfs/dbraw/zinc/76/74/28/385767428.db2.gz NBCVKVJQEBKJGV-LLVKDONJSA-N 0 3 241.400 3.634 20 0 BHADHN CCc1ccc([C@H](C)NCCSC(C)C)o1 ZINC000309648238 385768218 /nfs/dbraw/zinc/76/82/18/385768218.db2.gz NBCVKVJQEBKJGV-NSHDSACASA-N 0 3 241.400 3.634 20 0 BHADHN Cc1ccccc1[C@H](CC(C)C)NCCF ZINC000309649062 179340367 /nfs/dbraw/zinc/34/03/67/179340367.db2.gz XDDNSJBOTXGSJK-AWEZNQCLSA-N 0 3 223.335 3.641 20 0 BHADHN Cc1ccccc1[C@@H](CC(C)C)NCCF ZINC000309649063 179323112 /nfs/dbraw/zinc/32/31/12/179323112.db2.gz XDDNSJBOTXGSJK-CQSZACIVSA-N 0 3 223.335 3.641 20 0 BHADHN Clc1ccc(CNCC23CCC(CC2)C3)o1 ZINC000309650171 385769860 /nfs/dbraw/zinc/76/98/60/385769860.db2.gz SJBNVGSQFIHGDI-UHFFFAOYSA-N 0 3 239.746 3.603 20 0 BHADHN CCc1cnc(CNC(CC)(CC)CC)s1 ZINC000309653196 388460919 /nfs/dbraw/zinc/46/09/19/388460919.db2.gz OVVYLMSDRHMSAA-UHFFFAOYSA-N 0 3 240.416 3.764 20 0 BHADHN CCc1ccc([C@H](C)N[C@H]2CCC2(C)C)o1 ZINC000309654219 388460335 /nfs/dbraw/zinc/46/03/35/388460335.db2.gz PDCKQNSXAZWRHG-GWCFXTLKSA-N 0 3 221.344 3.681 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H]2CCC2(C)C)o1 ZINC000309654221 388460477 /nfs/dbraw/zinc/46/04/77/388460477.db2.gz PDCKQNSXAZWRHG-GXFFZTMASA-N 0 3 221.344 3.681 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H]2CCC2(C)C)o1 ZINC000309654223 388460340 /nfs/dbraw/zinc/46/03/40/388460340.db2.gz PDCKQNSXAZWRHG-MFKMUULPSA-N 0 3 221.344 3.681 20 0 BHADHN CCc1ccc([C@@H](C)N[C@@H]2CCC2(C)C)o1 ZINC000309654225 529706983 /nfs/dbraw/zinc/70/69/83/529706983.db2.gz PDCKQNSXAZWRHG-ZWNOBZJWSA-N 0 3 221.344 3.681 20 0 BHADHN CC(C)[C@@H]1CCC[C@H]1N[C@@H]1CCCC1(F)F ZINC000309655550 491153772 /nfs/dbraw/zinc/15/37/72/491153772.db2.gz ZAFOKPKLTPQVHQ-QJPTWQEYSA-N 0 3 231.330 3.589 20 0 BHADHN CC(C)[C@@H]1CCC[C@@H]1N[C@@H]1CCCC1(F)F ZINC000309655551 491153760 /nfs/dbraw/zinc/15/37/60/491153760.db2.gz ZAFOKPKLTPQVHQ-SDDRHHMPSA-N 0 3 231.330 3.589 20 0 BHADHN CC(C)[C@@H]1CCC[C@@H]1N[C@H]1CCCC1(F)F ZINC000309655552 491153789 /nfs/dbraw/zinc/15/37/89/491153789.db2.gz ZAFOKPKLTPQVHQ-SRVKXCTJSA-N 0 3 231.330 3.589 20 0 BHADHN CC(C)[C@@H]1CCC[C@H]1N[C@H]1CCCC1(F)F ZINC000309655553 491153782 /nfs/dbraw/zinc/15/37/82/491153782.db2.gz ZAFOKPKLTPQVHQ-TUAOUCFPSA-N 0 3 231.330 3.589 20 0 BHADHN CCc1nc([C@@H](C)NC2CC(C)(C)C2)cs1 ZINC000309662086 172002086 /nfs/dbraw/zinc/00/20/86/172002086.db2.gz RPTRJXNIJLOTFO-SECBINFHSA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@H](C)NC2CC(C)(C)C2)cs1 ZINC000309662087 172006245 /nfs/dbraw/zinc/00/62/45/172006245.db2.gz RPTRJXNIJLOTFO-VIFPVBQESA-N 0 3 238.400 3.545 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H]2CC[C@@H](C)C2)o1 ZINC000309664288 388460544 /nfs/dbraw/zinc/46/05/44/388460544.db2.gz SPXAPIKRMUDNHO-GRYCIOLGSA-N 0 3 221.344 3.681 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H]2CC[C@H](C)C2)o1 ZINC000309664289 388460552 /nfs/dbraw/zinc/46/05/52/388460552.db2.gz SPXAPIKRMUDNHO-SDDRHHMPSA-N 0 3 221.344 3.681 20 0 BHADHN CCc1ccc([C@H](C)N[C@H]2CC[C@H](C)C2)o1 ZINC000309664291 388460955 /nfs/dbraw/zinc/46/09/55/388460955.db2.gz SPXAPIKRMUDNHO-SRVKXCTJSA-N 0 3 221.344 3.681 20 0 BHADHN CCc1ccc([C@H](C)N[C@H]2CC[C@@H](C)C2)o1 ZINC000309664292 388460291 /nfs/dbraw/zinc/46/02/91/388460291.db2.gz SPXAPIKRMUDNHO-WOPDTQHZSA-N 0 3 221.344 3.681 20 0 BHADHN CC(C)CCCN[C@H](C)c1ccc(Cl)cn1 ZINC000309665926 384193444 /nfs/dbraw/zinc/19/34/44/384193444.db2.gz HTITYCHTCKHNFD-LLVKDONJSA-N 0 3 240.778 3.822 20 0 BHADHN CC(C)CCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000309665927 384194089 /nfs/dbraw/zinc/19/40/89/384194089.db2.gz HTITYCHTCKHNFD-NSHDSACASA-N 0 3 240.778 3.822 20 0 BHADHN CC(C)CC[C@H](NC1CCC1)c1ccoc1 ZINC000309666692 347132884 /nfs/dbraw/zinc/13/28/84/347132884.db2.gz IGUCKKVKICVRNB-AWEZNQCLSA-N 0 3 221.344 3.899 20 0 BHADHN CC(C)CC[C@@H](NC1CCC1)c1ccoc1 ZINC000309666693 385782266 /nfs/dbraw/zinc/78/22/66/385782266.db2.gz IGUCKKVKICVRNB-CQSZACIVSA-N 0 3 221.344 3.899 20 0 BHADHN CCc1ccc([C@@H](C)NCCC=C(C)C)o1 ZINC000309672136 384200809 /nfs/dbraw/zinc/20/08/09/384200809.db2.gz WJFSTUYHWKWJRU-GFCCVEGCSA-N 0 3 221.344 3.849 20 0 BHADHN CCc1ccc([C@H](C)NCCC=C(C)C)o1 ZINC000309672137 384199255 /nfs/dbraw/zinc/19/92/55/384199255.db2.gz WJFSTUYHWKWJRU-LBPRGKRZSA-N 0 3 221.344 3.849 20 0 BHADHN CC(C)[C@H]1CCC[C@@H]1NCc1ccc(Cl)o1 ZINC000309673253 491153658 /nfs/dbraw/zinc/15/36/58/491153658.db2.gz KTCIJUHHKZTXJT-NEPJUHHUSA-N 0 3 241.762 3.847 20 0 BHADHN CC(C)[C@@H]1CCC[C@H]1NCc1ccc(Cl)o1 ZINC000309673254 491153716 /nfs/dbraw/zinc/15/37/16/491153716.db2.gz KTCIJUHHKZTXJT-NWDGAFQWSA-N 0 3 241.762 3.847 20 0 BHADHN CC(C)[C@@H]1CCC[C@@H]1NCc1ccc(Cl)o1 ZINC000309673255 491153687 /nfs/dbraw/zinc/15/36/87/491153687.db2.gz KTCIJUHHKZTXJT-RYUDHWBXSA-N 0 3 241.762 3.847 20 0 BHADHN CC(C)[C@H]1CCC[C@H]1NCc1ccc(Cl)o1 ZINC000309673256 491153668 /nfs/dbraw/zinc/15/36/68/491153668.db2.gz KTCIJUHHKZTXJT-VXGBXAGGSA-N 0 3 241.762 3.847 20 0 BHADHN CC(C)[C@@H](C)NCc1cc(F)c(Cl)cc1F ZINC000309675468 388460949 /nfs/dbraw/zinc/46/09/49/388460949.db2.gz LPQFNIWQQOKIJA-MRVPVSSYSA-N 0 3 247.716 3.752 20 0 BHADHN CC(C)[C@H](C)NCc1cc(F)c(Cl)cc1F ZINC000309675469 388460893 /nfs/dbraw/zinc/46/08/93/388460893.db2.gz LPQFNIWQQOKIJA-QMMMGPOBSA-N 0 3 247.716 3.752 20 0 BHADHN CC(C)CCCNCc1nc(C(C)C)cs1 ZINC000309678084 385781094 /nfs/dbraw/zinc/78/10/94/385781094.db2.gz MLAFMRDAAWTNEI-UHFFFAOYSA-N 0 3 240.416 3.792 20 0 BHADHN CCC[C@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000309691749 491154592 /nfs/dbraw/zinc/15/45/92/491154592.db2.gz JRWOGMSIRCGGIK-JTQLQIEISA-N 0 3 240.416 3.719 20 0 BHADHN CCC[C@@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000309691750 491154574 /nfs/dbraw/zinc/15/45/74/491154574.db2.gz JRWOGMSIRCGGIK-SNVBAGLBSA-N 0 3 240.416 3.719 20 0 BHADHN CC[C@@H](N[C@H](C)c1csc(C)n1)C(C)(C)C ZINC000309697938 388461429 /nfs/dbraw/zinc/46/14/29/388461429.db2.gz LPYQIYOZLFCUBF-BXKDBHETSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](N[C@@H](C)c1csc(C)n1)C(C)(C)C ZINC000309697939 388461553 /nfs/dbraw/zinc/46/15/53/388461553.db2.gz LPYQIYOZLFCUBF-CABZTGNLSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@@H](N[C@@H](C)c1csc(C)n1)C(C)(C)C ZINC000309697941 388461126 /nfs/dbraw/zinc/46/11/26/388461126.db2.gz LPYQIYOZLFCUBF-JOYOIKCWSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](N[C@H](C)c1csc(C)n1)C(C)(C)C ZINC000309697942 388461728 /nfs/dbraw/zinc/46/17/28/388461728.db2.gz LPYQIYOZLFCUBF-SKDRFNHKSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](CC(F)(F)F)N[C@H](C)c1ccoc1 ZINC000309700414 326164202 /nfs/dbraw/zinc/16/42/02/326164202.db2.gz MKVHPQSUHRFOEW-PSASIEDQSA-N 0 3 235.249 3.661 20 0 BHADHN CC[C@@H](CC(F)(F)F)N[C@H](C)c1ccoc1 ZINC000309700415 326164230 /nfs/dbraw/zinc/16/42/30/326164230.db2.gz MKVHPQSUHRFOEW-SCZZXKLOSA-N 0 3 235.249 3.661 20 0 BHADHN CC[C@H](CC(F)(F)F)N[C@@H](C)c1ccoc1 ZINC000309700416 326164099 /nfs/dbraw/zinc/16/40/99/326164099.db2.gz MKVHPQSUHRFOEW-WCBMZHEXSA-N 0 3 235.249 3.661 20 0 BHADHN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1ccoc1 ZINC000309700417 326164192 /nfs/dbraw/zinc/16/41/92/326164192.db2.gz MKVHPQSUHRFOEW-WPRPVWTQSA-N 0 3 235.249 3.661 20 0 BHADHN CCCC[C@@H](NCc1cscn1)C1CCC1 ZINC000309704763 388461950 /nfs/dbraw/zinc/46/19/50/388461950.db2.gz OBTNQRPWUMGLCH-CYBMUJFWSA-N 0 3 238.400 3.592 20 0 BHADHN CCCC[C@H](NCc1cscn1)C1CCC1 ZINC000309704764 388462375 /nfs/dbraw/zinc/46/23/75/388462375.db2.gz OBTNQRPWUMGLCH-ZDUSSCGKSA-N 0 3 238.400 3.592 20 0 BHADHN CCC[C@H](CN[C@@H](C)CF)c1ccccc1 ZINC000309704773 388462564 /nfs/dbraw/zinc/46/25/64/388462564.db2.gz OCELRHKUPLVOJW-GXTWGEPZSA-N 0 3 223.335 3.518 20 0 BHADHN CCC[C@@H](CN[C@@H](C)CF)c1ccccc1 ZINC000309704774 388462226 /nfs/dbraw/zinc/46/22/26/388462226.db2.gz OCELRHKUPLVOJW-JSGCOSHPSA-N 0 3 223.335 3.518 20 0 BHADHN CCC[C@@H](CN[C@H](C)CF)c1ccccc1 ZINC000309704775 384214220 /nfs/dbraw/zinc/21/42/20/384214220.db2.gz OCELRHKUPLVOJW-OCCSQVGLSA-N 0 3 223.335 3.518 20 0 BHADHN CCC[C@H](CN[C@H](C)CF)c1ccccc1 ZINC000309704776 384212926 /nfs/dbraw/zinc/21/29/26/384212926.db2.gz OCELRHKUPLVOJW-TZMCWYRMSA-N 0 3 223.335 3.518 20 0 BHADHN Cc1cnc(C(C)(C)NCCCC(C)C)s1 ZINC000309709570 384552906 /nfs/dbraw/zinc/55/29/06/384552906.db2.gz WPDBWVQQUXPCAN-UHFFFAOYSA-N 0 3 240.416 3.712 20 0 BHADHN CCCc1csc(CN[C@H](CC)CCC)n1 ZINC000309712337 388462343 /nfs/dbraw/zinc/46/23/43/388462343.db2.gz REQKBEMBCMTGCG-LLVKDONJSA-N 0 3 240.416 3.764 20 0 BHADHN CCCc1csc(CN[C@@H](CC)CCC)n1 ZINC000309712338 388462488 /nfs/dbraw/zinc/46/24/88/388462488.db2.gz REQKBEMBCMTGCG-NSHDSACASA-N 0 3 240.416 3.764 20 0 BHADHN CCCC[C@H](C)[C@@H](C)N[C@H](C)c1ccon1 ZINC000309714795 388462108 /nfs/dbraw/zinc/46/21/08/388462108.db2.gz SHXUFPAGKAAZQZ-QJPTWQEYSA-N 0 3 224.348 3.540 20 0 BHADHN CCCC[C@H](C)[C@H](C)N[C@H](C)c1ccon1 ZINC000309714796 388462379 /nfs/dbraw/zinc/46/23/79/388462379.db2.gz SHXUFPAGKAAZQZ-SDDRHHMPSA-N 0 3 224.348 3.540 20 0 BHADHN CCCC[C@H](C)[C@H](C)N[C@@H](C)c1ccon1 ZINC000309714797 388462468 /nfs/dbraw/zinc/46/24/68/388462468.db2.gz SHXUFPAGKAAZQZ-SRVKXCTJSA-N 0 3 224.348 3.540 20 0 BHADHN CCCC[C@H](C)[C@@H](C)N[C@@H](C)c1ccon1 ZINC000309714798 388462523 /nfs/dbraw/zinc/46/25/23/388462523.db2.gz SHXUFPAGKAAZQZ-TUAOUCFPSA-N 0 3 224.348 3.540 20 0 BHADHN CC(C)CCC[C@@H](C)N[C@@H](C)c1ccon1 ZINC000309717984 384217285 /nfs/dbraw/zinc/21/72/85/384217285.db2.gz ZMSAFWRQKRMBAK-NEPJUHHUSA-N 0 3 224.348 3.540 20 0 BHADHN CC(C)CCC[C@H](C)N[C@H](C)c1ccon1 ZINC000309717985 384217222 /nfs/dbraw/zinc/21/72/22/384217222.db2.gz ZMSAFWRQKRMBAK-NWDGAFQWSA-N 0 3 224.348 3.540 20 0 BHADHN CC(C)CCC[C@H](C)N[C@@H](C)c1ccon1 ZINC000309717986 384215848 /nfs/dbraw/zinc/21/58/48/384215848.db2.gz ZMSAFWRQKRMBAK-RYUDHWBXSA-N 0 3 224.348 3.540 20 0 BHADHN CC(C)CCC[C@@H](C)N[C@H](C)c1ccon1 ZINC000309717987 527705585 /nfs/dbraw/zinc/70/55/85/527705585.db2.gz ZMSAFWRQKRMBAK-VXGBXAGGSA-N 0 3 224.348 3.540 20 0 BHADHN CC[C@@H](N[C@@H]1CCC12CCC2)c1nccs1 ZINC000309720951 488053083 /nfs/dbraw/zinc/05/30/83/488053083.db2.gz VYLIAJJTSHBXFA-GHMZBOCLSA-N 0 3 236.384 3.517 20 0 BHADHN CC[C@@H](N[C@H]1CCC12CCC2)c1nccs1 ZINC000309720952 488053126 /nfs/dbraw/zinc/05/31/26/488053126.db2.gz VYLIAJJTSHBXFA-MNOVXSKESA-N 0 3 236.384 3.517 20 0 BHADHN CC[C@H](N[C@H]1CCC12CCC2)c1nccs1 ZINC000309720953 488053238 /nfs/dbraw/zinc/05/32/38/488053238.db2.gz VYLIAJJTSHBXFA-QWRGUYRKSA-N 0 3 236.384 3.517 20 0 BHADHN CC[C@H](N[C@@H]1CCC12CCC2)c1nccs1 ZINC000309720954 488053108 /nfs/dbraw/zinc/05/31/08/488053108.db2.gz VYLIAJJTSHBXFA-WDEREUQCSA-N 0 3 236.384 3.517 20 0 BHADHN CC[C@@H](NCCCC(C)C)c1nc(C)cs1 ZINC000309725204 170893674 /nfs/dbraw/zinc/89/36/74/170893674.db2.gz XQNRQDSXMFKVSP-GFCCVEGCSA-N 0 3 240.416 3.928 20 0 BHADHN CC[C@H](NCCCC(C)C)c1nc(C)cs1 ZINC000309725205 384557289 /nfs/dbraw/zinc/55/72/89/384557289.db2.gz XQNRQDSXMFKVSP-LBPRGKRZSA-N 0 3 240.416 3.928 20 0 BHADHN C[C@@H]1C[C@@H]1[C@@H](NCCF)c1ccc(Cl)cc1 ZINC000309733341 388463435 /nfs/dbraw/zinc/46/34/35/388463435.db2.gz BQNNQDUGVJMRLB-ICCXJUOJSA-N 0 3 241.737 3.596 20 0 BHADHN C[C@@H]1C[C@@H]1[C@H](NCCF)c1ccc(Cl)cc1 ZINC000309733343 388462884 /nfs/dbraw/zinc/46/28/84/388462884.db2.gz BQNNQDUGVJMRLB-JIMOISOXSA-N 0 3 241.737 3.596 20 0 BHADHN C[C@@H]1C[C@H]1[C@H](NCCF)c1ccc(Cl)cc1 ZINC000309733345 388463264 /nfs/dbraw/zinc/46/32/64/388463264.db2.gz BQNNQDUGVJMRLB-OASPWFOLSA-N 0 3 241.737 3.596 20 0 BHADHN C[C@@H]1C[C@H]1[C@@H](NCCF)c1ccc(Cl)cc1 ZINC000309733347 388463165 /nfs/dbraw/zinc/46/31/65/388463165.db2.gz BQNNQDUGVJMRLB-WQAKAFBOSA-N 0 3 241.737 3.596 20 0 BHADHN CC1(CCNCc2ccc(Cl)cc2F)CC1 ZINC000309736209 168020496 /nfs/dbraw/zinc/02/04/96/168020496.db2.gz CJSZGQWUMGGYSN-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CCC(C)(C)CCN[C@H](C)c1nc(C)cs1 ZINC000309738703 491155332 /nfs/dbraw/zinc/15/53/32/491155332.db2.gz CXSOXTWOTJEZFG-LLVKDONJSA-N 0 3 240.416 3.928 20 0 BHADHN CCC(C)(C)CCN[C@@H](C)c1nc(C)cs1 ZINC000309738704 491155318 /nfs/dbraw/zinc/15/53/18/491155318.db2.gz CXSOXTWOTJEZFG-NSHDSACASA-N 0 3 240.416 3.928 20 0 BHADHN C/C=C\CN[C@@H](C)c1cc2ccccc2o1 ZINC000309744630 491155769 /nfs/dbraw/zinc/15/57/69/491155769.db2.gz FEHLAJGTGYMXKC-BYCRGOAPSA-N 0 3 215.296 3.660 20 0 BHADHN C/C=C\CN[C@H](C)c1cc2ccccc2o1 ZINC000309744631 491155823 /nfs/dbraw/zinc/15/58/23/491155823.db2.gz FEHLAJGTGYMXKC-DLRQAJBASA-N 0 3 215.296 3.660 20 0 BHADHN C/C=C/CN[C@H](C)c1cc2ccccc2o1 ZINC000309744632 491155878 /nfs/dbraw/zinc/15/58/78/491155878.db2.gz FEHLAJGTGYMXKC-PGLGOXFNSA-N 0 3 215.296 3.660 20 0 BHADHN C/C=C/CN[C@@H](C)c1cc2ccccc2o1 ZINC000309744633 491155866 /nfs/dbraw/zinc/15/58/66/491155866.db2.gz FEHLAJGTGYMXKC-UFFNRZRYSA-N 0 3 215.296 3.660 20 0 BHADHN C[C@@H]1CC(C)(C)C[C@H]1N[C@@H]1CCCC1(F)F ZINC000309744684 491155901 /nfs/dbraw/zinc/15/59/01/491155901.db2.gz FGUHMGPTPUROLM-GMTAPVOTSA-N 0 3 231.330 3.589 20 0 BHADHN C[C@@H]1CC(C)(C)C[C@H]1N[C@H]1CCCC1(F)F ZINC000309744685 491155842 /nfs/dbraw/zinc/15/58/42/491155842.db2.gz FGUHMGPTPUROLM-MXWKQRLJSA-N 0 3 231.330 3.589 20 0 BHADHN C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1CCCC1(F)F ZINC000309744686 491155870 /nfs/dbraw/zinc/15/58/70/491155870.db2.gz FGUHMGPTPUROLM-OUAUKWLOSA-N 0 3 231.330 3.589 20 0 BHADHN C[C@@H]1CC(C)(C)C[C@@H]1N[C@H]1CCCC1(F)F ZINC000309744687 491155861 /nfs/dbraw/zinc/15/58/61/491155861.db2.gz FGUHMGPTPUROLM-VWYCJHECSA-N 0 3 231.330 3.589 20 0 BHADHN CC1(C)CCC[C@@H](CNCc2ccco2)C1 ZINC000309748802 347152192 /nfs/dbraw/zinc/15/21/92/347152192.db2.gz GHEGFXDQWGLHJN-GFCCVEGCSA-N 0 3 221.344 3.586 20 0 BHADHN CC1(C)CCC[C@H](CNCc2ccco2)C1 ZINC000309748803 344451564 /nfs/dbraw/zinc/45/15/64/344451564.db2.gz GHEGFXDQWGLHJN-LBPRGKRZSA-N 0 3 221.344 3.586 20 0 BHADHN C[C@H](CN[C@H](C)c1ccccc1)C(F)(F)F ZINC000309752748 386321944 /nfs/dbraw/zinc/32/19/44/386321944.db2.gz KXNMWJYJYCJXJX-NXEZZACHSA-N 0 3 231.261 3.536 20 0 BHADHN C[C@@H](CN[C@@H](C)c1ccccc1)C(F)(F)F ZINC000309752752 388464227 /nfs/dbraw/zinc/46/42/27/388464227.db2.gz KXNMWJYJYCJXJX-UWVGGRQHSA-N 0 3 231.261 3.536 20 0 BHADHN C[C@@H](NC[C@H](C)C(F)(F)F)c1ccccc1 ZINC000309753234 388464121 /nfs/dbraw/zinc/46/41/21/388464121.db2.gz KXNMWJYJYCJXJX-VHSXEESVSA-N 0 3 231.261 3.536 20 0 BHADHN C[C@H](CN[C@@H](C)c1ccccc1)C(F)(F)F ZINC000309753235 388463944 /nfs/dbraw/zinc/46/39/44/388463944.db2.gz KXNMWJYJYCJXJX-ZJUUUORDSA-N 0 3 231.261 3.536 20 0 BHADHN CCC(C)(C)NCc1ncc(C(C)(C)C)s1 ZINC000309759358 388463847 /nfs/dbraw/zinc/46/38/47/388463847.db2.gz IIYUXNORNPDOQN-UHFFFAOYSA-N 0 3 240.416 3.719 20 0 BHADHN CC1(C)C[C@H]1NCc1cscc1C(F)(F)F ZINC000309766594 384595707 /nfs/dbraw/zinc/59/57/07/384595707.db2.gz JPTJPPNTNRXQTR-SECBINFHSA-N 0 3 249.301 3.655 20 0 BHADHN CC1(C)C[C@@H]1NCc1cscc1C(F)(F)F ZINC000309766595 188346327 /nfs/dbraw/zinc/34/63/27/188346327.db2.gz JPTJPPNTNRXQTR-VIFPVBQESA-N 0 3 249.301 3.655 20 0 BHADHN C[C@H](CCC(C)(C)C)N[C@H](C)c1ccon1 ZINC000309769742 384598184 /nfs/dbraw/zinc/59/81/84/384598184.db2.gz OJVIZVSUYWYRLZ-GHMZBOCLSA-N 0 3 224.348 3.540 20 0 BHADHN C[C@H](CCC(C)(C)C)N[C@@H](C)c1ccon1 ZINC000309769743 384597327 /nfs/dbraw/zinc/59/73/27/384597327.db2.gz OJVIZVSUYWYRLZ-MNOVXSKESA-N 0 3 224.348 3.540 20 0 BHADHN C[C@@H](CCC(C)(C)C)N[C@@H](C)c1ccon1 ZINC000309769744 384599556 /nfs/dbraw/zinc/59/95/56/384599556.db2.gz OJVIZVSUYWYRLZ-QWRGUYRKSA-N 0 3 224.348 3.540 20 0 BHADHN C[C@@H](N[C@@H](C)CCC(C)(C)C)c1ccon1 ZINC000309769745 384598121 /nfs/dbraw/zinc/59/81/21/384598121.db2.gz OJVIZVSUYWYRLZ-WDEREUQCSA-N 0 3 224.348 3.540 20 0 BHADHN CC1(CCNCc2ccc(F)cc2Cl)CC1 ZINC000309771484 168019807 /nfs/dbraw/zinc/01/98/07/168019807.db2.gz KPHODEIGGITWRA-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CCC(C)(C)CCN[C@H](C)c1ncc(C)s1 ZINC000309776718 168278456 /nfs/dbraw/zinc/27/84/56/168278456.db2.gz LVWRWMZPQSLFNC-LLVKDONJSA-N 0 3 240.416 3.928 20 0 BHADHN CCC(C)(C)CCN[C@@H](C)c1ncc(C)s1 ZINC000309776719 168276528 /nfs/dbraw/zinc/27/65/28/168276528.db2.gz LVWRWMZPQSLFNC-NSHDSACASA-N 0 3 240.416 3.928 20 0 BHADHN C[C@@H]1CC[C@H](N[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000309779999 491156350 /nfs/dbraw/zinc/15/63/50/491156350.db2.gz MSEPKNUJPUDYKX-NOOOWODRSA-N 0 3 231.330 3.589 20 0 BHADHN C[C@@H]1CC[C@H](N[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000309780000 491156318 /nfs/dbraw/zinc/15/63/18/491156318.db2.gz MSEPKNUJPUDYKX-RHYQMDGZSA-N 0 3 231.330 3.589 20 0 BHADHN C[C@@H]1CC[C@H](N[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC000309780001 491156314 /nfs/dbraw/zinc/15/63/14/491156314.db2.gz MSEPKNUJPUDYKX-WISYIIOYSA-N 0 3 231.330 3.589 20 0 BHADHN C[C@@H]1CC[C@H](N[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000309780002 491156295 /nfs/dbraw/zinc/15/62/95/491156295.db2.gz MSEPKNUJPUDYKX-WYUUTHIRSA-N 0 3 231.330 3.589 20 0 BHADHN CC1(CCNCc2c(F)cccc2Cl)CC1 ZINC000309794783 168021001 /nfs/dbraw/zinc/02/10/01/168021001.db2.gz PXEOHWGFLMNBRH-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN C[C@@H]1CCC[C@@H](C)C1N[C@@H]1CCCC1(F)F ZINC000309796054 491156714 /nfs/dbraw/zinc/15/67/14/491156714.db2.gz QEFFHBMAJJRJOM-GMTAPVOTSA-N 0 3 231.330 3.589 20 0 BHADHN C[C@@H]1CCC[C@H](C)[C@H]1N[C@@H]1CCCC1(F)F ZINC000309796055 491156759 /nfs/dbraw/zinc/15/67/59/491156759.db2.gz QEFFHBMAJJRJOM-KXNHARMFSA-N 0 3 231.330 3.589 20 0 BHADHN C[C@@H]1CCC[C@@H](C)C1N[C@H]1CCCC1(F)F ZINC000309796056 491156753 /nfs/dbraw/zinc/15/67/53/491156753.db2.gz QEFFHBMAJJRJOM-MXWKQRLJSA-N 0 3 231.330 3.589 20 0 BHADHN C[C@@H]1CCC[C@H](C)[C@H]1N[C@H]1CCCC1(F)F ZINC000309796057 491156773 /nfs/dbraw/zinc/15/67/73/491156773.db2.gz QEFFHBMAJJRJOM-WHOHXGKFSA-N 0 3 231.330 3.589 20 0 BHADHN Cc1cc(C)nc(N[C@H](C)CCC2CC2)c1 ZINC000309797636 384611484 /nfs/dbraw/zinc/61/14/84/384611484.db2.gz VTKDJZMLFGOAHS-LLVKDONJSA-N 0 3 218.344 3.689 20 0 BHADHN Cc1cc(C)nc(N[C@@H](C)CCC2CC2)c1 ZINC000309797637 384611100 /nfs/dbraw/zinc/61/11/00/384611100.db2.gz VTKDJZMLFGOAHS-NSHDSACASA-N 0 3 218.344 3.689 20 0 BHADHN C[C@@H]1C[C@@H](NCc2c(F)cccc2Cl)[C@@H]1C ZINC000309801103 384417033 /nfs/dbraw/zinc/41/70/33/384417033.db2.gz REQNWNXJPIDDKJ-JRKPZEMJSA-N 0 3 241.737 3.613 20 0 BHADHN C[C@@H]1C[C@H](NCc2c(F)cccc2Cl)[C@@H]1C ZINC000309801104 384417096 /nfs/dbraw/zinc/41/70/96/384417096.db2.gz REQNWNXJPIDDKJ-KKFJDGPESA-N 0 3 241.737 3.613 20 0 BHADHN C[C@@H]1C[C@@H](NCc2c(F)cccc2Cl)[C@H]1C ZINC000309801105 384418129 /nfs/dbraw/zinc/41/81/29/384418129.db2.gz REQNWNXJPIDDKJ-VYUIOLGVSA-N 0 3 241.737 3.613 20 0 BHADHN C[C@@H]1C[C@H](NCc2c(F)cccc2Cl)[C@H]1C ZINC000309801106 384418890 /nfs/dbraw/zinc/41/88/90/384418890.db2.gz REQNWNXJPIDDKJ-ZDMBXUJBSA-N 0 3 241.737 3.613 20 0 BHADHN C[C@@H]1C[C@@H](NCc2ccc(Cl)cc2F)[C@@H]1C ZINC000309809393 384418933 /nfs/dbraw/zinc/41/89/33/384418933.db2.gz TVUDAEXJTNWHKV-JRKPZEMJSA-N 0 3 241.737 3.613 20 0 BHADHN C[C@@H]1C[C@H](NCc2ccc(Cl)cc2F)[C@@H]1C ZINC000309809394 384417483 /nfs/dbraw/zinc/41/74/83/384417483.db2.gz TVUDAEXJTNWHKV-KKFJDGPESA-N 0 3 241.737 3.613 20 0 BHADHN C[C@@H]1C[C@@H](NCc2ccc(Cl)cc2F)[C@H]1C ZINC000309809395 384419864 /nfs/dbraw/zinc/41/98/64/384419864.db2.gz TVUDAEXJTNWHKV-VYUIOLGVSA-N 0 3 241.737 3.613 20 0 BHADHN C[C@@H]1C[C@H](NCc2ccc(Cl)cc2F)[C@H]1C ZINC000309809396 384419381 /nfs/dbraw/zinc/41/93/81/384419381.db2.gz TVUDAEXJTNWHKV-ZDMBXUJBSA-N 0 3 241.737 3.613 20 0 BHADHN C/C=C/CN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000309810347 491156428 /nfs/dbraw/zinc/15/64/28/491156428.db2.gz UARGFXZGAHIBFE-BTDICHCPSA-N 0 3 221.319 3.669 20 0 BHADHN C/C=C\CN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000309810349 491156417 /nfs/dbraw/zinc/15/64/17/491156417.db2.gz UARGFXZGAHIBFE-FJOGCWAESA-N 0 3 221.319 3.669 20 0 BHADHN C/C=C\CN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000309810351 491156371 /nfs/dbraw/zinc/15/63/71/491156371.db2.gz UARGFXZGAHIBFE-FOQNGQEVSA-N 0 3 221.319 3.669 20 0 BHADHN C/C=C/CN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000309810353 491156364 /nfs/dbraw/zinc/15/63/64/491156364.db2.gz UARGFXZGAHIBFE-FYJFLYSWSA-N 0 3 221.319 3.669 20 0 BHADHN CCC(C)(C)CCN[C@@H](C)c1csc(C)n1 ZINC000309813829 491157127 /nfs/dbraw/zinc/15/71/27/491157127.db2.gz UVWRNYBOIVYMHF-JTQLQIEISA-N 0 3 240.416 3.928 20 0 BHADHN CCC(C)(C)CCN[C@H](C)c1csc(C)n1 ZINC000309813830 491157189 /nfs/dbraw/zinc/15/71/89/491157189.db2.gz UVWRNYBOIVYMHF-SNVBAGLBSA-N 0 3 240.416 3.928 20 0 BHADHN C[C@@H](NCc1cc(F)c(Cl)cc1F)C1CC1 ZINC000309829924 388465359 /nfs/dbraw/zinc/46/53/59/388465359.db2.gz YHNFYDUNMWRWFF-SSDOTTSWSA-N 0 3 245.700 3.506 20 0 BHADHN C[C@H](NCc1cc(F)c(Cl)cc1F)C1CC1 ZINC000309829925 388465680 /nfs/dbraw/zinc/46/56/80/388465680.db2.gz YHNFYDUNMWRWFF-ZETCQYMHSA-N 0 3 245.700 3.506 20 0 BHADHN CC1CC(NCc2cscc2C(F)(F)F)C1 ZINC000309831955 168146414 /nfs/dbraw/zinc/14/64/14/168146414.db2.gz YTXYTFRNIJSLIX-UHFFFAOYSA-N 0 3 249.301 3.655 20 0 BHADHN CC[C@H]1CC[C@H](NCc2occc2C)CC1 ZINC000309840100 384434718 /nfs/dbraw/zinc/43/47/18/384434718.db2.gz OHGUNHSFNUMPJU-JOCQHMNTSA-N 0 3 221.344 3.646 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@@H]1C(C)C)c1nccs1 ZINC000309842067 491156978 /nfs/dbraw/zinc/15/69/78/491156978.db2.gz DUIMWALUSJFEKB-GRYCIOLGSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@H]1C(C)C)c1nccs1 ZINC000309842068 491156945 /nfs/dbraw/zinc/15/69/45/491156945.db2.gz DUIMWALUSJFEKB-SDDRHHMPSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](N[C@H]1CC[C@H]1C(C)C)c1nccs1 ZINC000309842069 491156921 /nfs/dbraw/zinc/15/69/21/491156921.db2.gz DUIMWALUSJFEKB-SRVKXCTJSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](N[C@H]1CC[C@@H]1C(C)C)c1nccs1 ZINC000309842070 491156924 /nfs/dbraw/zinc/15/69/24/491156924.db2.gz DUIMWALUSJFEKB-WOPDTQHZSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H]1CC[C@H](NCc2csc(C)n2)CC1 ZINC000309846207 384444403 /nfs/dbraw/zinc/44/44/03/384444403.db2.gz UBADUCVIRURJQE-HAQNSBGRSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H](NC1CCC1)c1ccc(F)cc1F ZINC000309855253 384669619 /nfs/dbraw/zinc/66/96/19/384669619.db2.gz KCTRQBGIELEXDR-CYBMUJFWSA-N 0 3 225.282 3.558 20 0 BHADHN CC[C@H](NC1CCC1)c1ccc(F)cc1F ZINC000309855254 384670571 /nfs/dbraw/zinc/67/05/71/384670571.db2.gz KCTRQBGIELEXDR-ZDUSSCGKSA-N 0 3 225.282 3.558 20 0 BHADHN Cc1cc(Cl)cc(C)c1CNC(C)(C)CF ZINC000309869178 388467607 /nfs/dbraw/zinc/46/76/07/388467607.db2.gz PVBPWVPIKVAJEK-UHFFFAOYSA-N 0 3 243.753 3.795 20 0 BHADHN Cc1ccc(CNC2CC(F)(F)C2)cc1Cl ZINC000309877017 388467546 /nfs/dbraw/zinc/46/75/46/388467546.db2.gz TVQRHGSPPOFSDK-UHFFFAOYSA-N 0 3 245.700 3.536 20 0 BHADHN CS[C@H](CN[C@@H](C)c1ccoc1)C(C)(C)C ZINC000309880471 326173718 /nfs/dbraw/zinc/17/37/18/326173718.db2.gz VDBQJRMWLOWRAY-CMPLNLGQSA-N 0 3 241.400 3.708 20 0 BHADHN CS[C@@H](CN[C@@H](C)c1ccoc1)C(C)(C)C ZINC000309880472 326173758 /nfs/dbraw/zinc/17/37/58/326173758.db2.gz VDBQJRMWLOWRAY-JQWIXIFHSA-N 0 3 241.400 3.708 20 0 BHADHN CS[C@@H](CN[C@H](C)c1ccoc1)C(C)(C)C ZINC000309880473 326173754 /nfs/dbraw/zinc/17/37/54/326173754.db2.gz VDBQJRMWLOWRAY-PWSUYJOCSA-N 0 3 241.400 3.708 20 0 BHADHN CS[C@H](CN[C@H](C)c1ccoc1)C(C)(C)C ZINC000309880474 326173794 /nfs/dbraw/zinc/17/37/94/326173794.db2.gz VDBQJRMWLOWRAY-ZYHUDNBSSA-N 0 3 241.400 3.708 20 0 BHADHN C[C@@H](CC1CCCCC1)NCc1cscn1 ZINC000309890125 388468014 /nfs/dbraw/zinc/46/80/14/388468014.db2.gz CCQORHHCSVTKRP-NSHDSACASA-N 0 3 238.400 3.592 20 0 BHADHN CCCc1csc(CNCCC=C(C)C)n1 ZINC000309891416 384688186 /nfs/dbraw/zinc/68/81/86/384688186.db2.gz CSNPLEGDGJVGHQ-UHFFFAOYSA-N 0 3 238.400 3.542 20 0 BHADHN C[C@@H](N[C@H](C)C1CCC1)c1ccc(Cl)cn1 ZINC000309903384 491157990 /nfs/dbraw/zinc/15/79/90/491157990.db2.gz IXDZTRPRYAFSLQ-NXEZZACHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@H](C)C1CCC1)c1ccc(Cl)cn1 ZINC000309903385 491157984 /nfs/dbraw/zinc/15/79/84/491157984.db2.gz IXDZTRPRYAFSLQ-UWVGGRQHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@H](C)C1CCC1)c1ccc(Cl)cn1 ZINC000309903386 491158011 /nfs/dbraw/zinc/15/80/11/491158011.db2.gz IXDZTRPRYAFSLQ-VHSXEESVSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccc(Cl)cn1)C1CCC1 ZINC000309903387 491158006 /nfs/dbraw/zinc/15/80/06/491158006.db2.gz IXDZTRPRYAFSLQ-ZJUUUORDSA-N 0 3 238.762 3.574 20 0 BHADHN CCSc1cccc(CNC(C)(C)CF)c1 ZINC000309906480 384711393 /nfs/dbraw/zinc/71/13/93/384711393.db2.gz KLBPQQVIKSDEMH-UHFFFAOYSA-N 0 3 241.375 3.636 20 0 BHADHN CSc1ccccc1[C@H](C)N[C@H]1CC1(C)C ZINC000309910718 384705195 /nfs/dbraw/zinc/70/51/95/384705195.db2.gz MNQZBCBQSUFIKL-GWCFXTLKSA-N 0 3 235.396 3.858 20 0 BHADHN CSc1ccccc1[C@H](C)N[C@@H]1CC1(C)C ZINC000309910719 384706454 /nfs/dbraw/zinc/70/64/54/384706454.db2.gz MNQZBCBQSUFIKL-GXFFZTMASA-N 0 3 235.396 3.858 20 0 BHADHN CSc1ccccc1[C@@H](C)N[C@H]1CC1(C)C ZINC000309910720 384705321 /nfs/dbraw/zinc/70/53/21/384705321.db2.gz MNQZBCBQSUFIKL-MFKMUULPSA-N 0 3 235.396 3.858 20 0 BHADHN CSc1ccccc1[C@@H](C)N[C@@H]1CC1(C)C ZINC000309910721 384706575 /nfs/dbraw/zinc/70/65/75/384706575.db2.gz MNQZBCBQSUFIKL-ZWNOBZJWSA-N 0 3 235.396 3.858 20 0 BHADHN CSc1cccc(F)c1CNC1CCCC1 ZINC000309914642 384708514 /nfs/dbraw/zinc/70/85/14/384708514.db2.gz OPVXHRRREQENLC-UHFFFAOYSA-N 0 3 239.359 3.580 20 0 BHADHN CCCc1csc(CNCCCC(C)C)n1 ZINC000309920842 188000814 /nfs/dbraw/zinc/00/08/14/188000814.db2.gz RYZMLFUUBAQSHC-UHFFFAOYSA-N 0 3 240.416 3.621 20 0 BHADHN CCCc1csc(CNCCC(C)(C)C)n1 ZINC000309926649 187310843 /nfs/dbraw/zinc/31/08/43/187310843.db2.gz VNVCQGAIBFMDPZ-UHFFFAOYSA-N 0 3 240.416 3.621 20 0 BHADHN CCSc1cccc(CNCC=C(C)C)c1 ZINC000309927827 388469027 /nfs/dbraw/zinc/46/90/27/388469027.db2.gz WFDHUUNSQFFUTA-UHFFFAOYSA-N 0 3 235.396 3.854 20 0 BHADHN C[C@H](CC1CCCCC1)NCc1ccco1 ZINC000309933741 388468379 /nfs/dbraw/zinc/46/83/79/388468379.db2.gz ZADYGUJCFDMKPD-GFCCVEGCSA-N 0 3 221.344 3.728 20 0 BHADHN CCCc1csc(CNC2(CC)CCC2)n1 ZINC000309951454 384737772 /nfs/dbraw/zinc/73/77/72/384737772.db2.gz GFRUMZKJQVUSGZ-UHFFFAOYSA-N 0 3 238.400 3.518 20 0 BHADHN CCc1cccc(F)c1CNCC(C)(C)C ZINC000309965600 388469973 /nfs/dbraw/zinc/46/99/73/388469973.db2.gz NGDOKQXPTPHVMW-UHFFFAOYSA-N 0 3 223.335 3.524 20 0 BHADHN CCCc1csc(CN[C@H](CC)C(C)C)n1 ZINC000309978965 384759519 /nfs/dbraw/zinc/75/95/19/384759519.db2.gz VICWUNZBVLMWNX-GFCCVEGCSA-N 0 3 240.416 3.620 20 0 BHADHN CCCc1csc(CN[C@@H](CC)C(C)C)n1 ZINC000309978966 384758195 /nfs/dbraw/zinc/75/81/95/384758195.db2.gz VICWUNZBVLMWNX-LBPRGKRZSA-N 0 3 240.416 3.620 20 0 BHADHN CCc1cnc(CNCCCCC(C)C)s1 ZINC000309987663 634038767 /nfs/dbraw/zinc/03/87/67/634038767.db2.gz ZEWTZYFBIBARIB-UHFFFAOYSA-N 0 3 240.416 3.621 20 0 BHADHN CCC1CC(N[C@@H]2CSc3ccccc32)C1 ZINC000309993183 388471073 /nfs/dbraw/zinc/47/10/73/388471073.db2.gz BNKPIIIEUVTYJA-GCZXYKMCSA-N 0 3 233.380 3.612 20 0 BHADHN CCC1CC(N[C@H]2CSc3ccccc32)C1 ZINC000309993184 388470810 /nfs/dbraw/zinc/47/08/10/388470810.db2.gz BNKPIIIEUVTYJA-XIVSLSHWSA-N 0 3 233.380 3.612 20 0 BHADHN CC[C@@H](F)CN[C@H](C)c1cccc(C)c1C ZINC000309994402 388470851 /nfs/dbraw/zinc/47/08/51/388470851.db2.gz BSTCMRBEMCZHMA-CHWSQXEVSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@H](F)CN[C@H](C)c1cccc(C)c1C ZINC000309994404 388470599 /nfs/dbraw/zinc/47/05/99/388470599.db2.gz BSTCMRBEMCZHMA-OLZOCXBDSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@@H](F)CN[C@@H](C)c1cccc(C)c1C ZINC000309994406 388471811 /nfs/dbraw/zinc/47/18/11/388471811.db2.gz BSTCMRBEMCZHMA-QWHCGFSZSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@H](F)CN[C@@H](C)c1cccc(C)c1C ZINC000309994408 388471765 /nfs/dbraw/zinc/47/17/65/388471765.db2.gz BSTCMRBEMCZHMA-STQMWFEESA-N 0 3 223.335 3.702 20 0 BHADHN C/C=C\CN[C@@H](CC)c1cc(F)ccc1F ZINC000309995388 491159608 /nfs/dbraw/zinc/15/96/08/491159608.db2.gz BYANVTYTCAXGFH-DXTPNHAXSA-N 0 3 225.282 3.582 20 0 BHADHN C/C=C\CN[C@H](CC)c1cc(F)ccc1F ZINC000309995389 491159604 /nfs/dbraw/zinc/15/96/04/491159604.db2.gz BYANVTYTCAXGFH-HSBHDXMMSA-N 0 3 225.282 3.582 20 0 BHADHN C/C=C/CN[C@@H](CC)c1cc(F)ccc1F ZINC000309995390 491159629 /nfs/dbraw/zinc/15/96/29/491159629.db2.gz BYANVTYTCAXGFH-LQPUYASZSA-N 0 3 225.282 3.582 20 0 BHADHN C/C=C/CN[C@H](CC)c1cc(F)ccc1F ZINC000309995391 491159631 /nfs/dbraw/zinc/15/96/31/491159631.db2.gz BYANVTYTCAXGFH-MASHWEEQSA-N 0 3 225.282 3.582 20 0 BHADHN CCCCCCN[C@](C)(CC)c1nccs1 ZINC000310001467 634063255 /nfs/dbraw/zinc/06/32/55/634063255.db2.gz FBJNJDUJIUUAKJ-CYBMUJFWSA-N 0 3 240.416 3.938 20 0 BHADHN CCCCCCN[C@@](C)(CC)c1nccs1 ZINC000310001469 632691469 /nfs/dbraw/zinc/69/14/69/632691469.db2.gz FBJNJDUJIUUAKJ-ZDUSSCGKSA-N 0 3 240.416 3.938 20 0 BHADHN CCCCCNC1(c2nc(C)cs2)CCC1 ZINC000310003549 397874460 /nfs/dbraw/zinc/87/44/60/397874460.db2.gz FQNYYXDFIMCVQB-UHFFFAOYSA-N 0 3 238.400 3.611 20 0 BHADHN CC[C@@H](NC1CC(CC)C1)c1nc(C)cs1 ZINC000310005027 384780017 /nfs/dbraw/zinc/78/00/17/384780017.db2.gz GFMGXQQHBKIZFS-HTAVTVPLSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@H](NC1CC(CC)C1)c1nc(C)cs1 ZINC000310005028 384780962 /nfs/dbraw/zinc/78/09/62/384780962.db2.gz GFMGXQQHBKIZFS-MCIGGMRASA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H](NCc1nc(C)sc1C)C(C)(C)C ZINC000310006192 347217684 /nfs/dbraw/zinc/21/76/84/347217684.db2.gz GTVUQLOBGXBYCE-GFCCVEGCSA-N 0 3 240.416 3.674 20 0 BHADHN CC[C@H](NCc1nc(C)sc1C)C(C)(C)C ZINC000310006193 384781829 /nfs/dbraw/zinc/78/18/29/384781829.db2.gz GTVUQLOBGXBYCE-LBPRGKRZSA-N 0 3 240.416 3.674 20 0 BHADHN CC[C@@H](NCc1ccoc1C)c1cccs1 ZINC000310006999 347217457 /nfs/dbraw/zinc/21/74/57/347217457.db2.gz HCHUQMBVDGYXCA-GFCCVEGCSA-N 0 3 235.352 3.890 20 0 BHADHN CC[C@H](NCc1ccoc1C)c1cccs1 ZINC000310007000 384779460 /nfs/dbraw/zinc/77/94/60/384779460.db2.gz HCHUQMBVDGYXCA-LBPRGKRZSA-N 0 3 235.352 3.890 20 0 BHADHN CC/C=C\CCN[C@H](C)c1csc(CC)n1 ZINC000310008063 385020291 /nfs/dbraw/zinc/02/02/91/385020291.db2.gz HNBIMUOPPNWAPP-JMEBYUIHSA-N 0 3 238.400 3.712 20 0 BHADHN CC/C=C\CCN[C@@H](C)c1csc(CC)n1 ZINC000310008064 384779899 /nfs/dbraw/zinc/77/98/99/384779899.db2.gz HNBIMUOPPNWAPP-ZADCQDASSA-N 0 3 238.400 3.712 20 0 BHADHN CC[C@H](CSC)N[C@@H](C)c1cc(C)c(C)o1 ZINC000310008524 171466845 /nfs/dbraw/zinc/46/68/45/171466845.db2.gz HSZDAJBGWYUWJB-CMPLNLGQSA-N 0 3 241.400 3.689 20 0 BHADHN CC[C@@H](CSC)N[C@@H](C)c1cc(C)c(C)o1 ZINC000310008525 384780051 /nfs/dbraw/zinc/78/00/51/384780051.db2.gz HSZDAJBGWYUWJB-JQWIXIFHSA-N 0 3 241.400 3.689 20 0 BHADHN CC[C@@H](CSC)N[C@H](C)c1cc(C)c(C)o1 ZINC000310008526 385021719 /nfs/dbraw/zinc/02/17/19/385021719.db2.gz HSZDAJBGWYUWJB-PWSUYJOCSA-N 0 3 241.400 3.689 20 0 BHADHN CC[C@H](CSC)N[C@H](C)c1cc(C)c(C)o1 ZINC000310008527 384780688 /nfs/dbraw/zinc/78/06/88/384780688.db2.gz HSZDAJBGWYUWJB-ZYHUDNBSSA-N 0 3 241.400 3.689 20 0 BHADHN CC[C@H](C)CNCc1nc(C(C)C)c(C)s1 ZINC000310009145 171286159 /nfs/dbraw/zinc/28/61/59/171286159.db2.gz HXERDLIVVXGFSF-JTQLQIEISA-N 0 3 240.416 3.711 20 0 BHADHN CC[C@@H](C)CNCc1nc(C(C)C)c(C)s1 ZINC000310009147 384781777 /nfs/dbraw/zinc/78/17/77/384781777.db2.gz HXERDLIVVXGFSF-SNVBAGLBSA-N 0 3 240.416 3.711 20 0 BHADHN CCC[C@@H]1CCCC[C@@H]1NCc1nccs1 ZINC000310010830 323125244 /nfs/dbraw/zinc/12/52/44/323125244.db2.gz IOICZKXWQNVCQL-NEPJUHHUSA-N 0 3 238.400 3.592 20 0 BHADHN CCC[C@H]1CCCC[C@H]1NCc1nccs1 ZINC000310010833 323125190 /nfs/dbraw/zinc/12/51/90/323125190.db2.gz IOICZKXWQNVCQL-NWDGAFQWSA-N 0 3 238.400 3.592 20 0 BHADHN CCC[C@H]1CCCC[C@@H]1NCc1nccs1 ZINC000310010835 323125144 /nfs/dbraw/zinc/12/51/44/323125144.db2.gz IOICZKXWQNVCQL-RYUDHWBXSA-N 0 3 238.400 3.592 20 0 BHADHN CCC[C@@H]1CCCC[C@H]1NCc1nccs1 ZINC000310010837 323125164 /nfs/dbraw/zinc/12/51/64/323125164.db2.gz IOICZKXWQNVCQL-VXGBXAGGSA-N 0 3 238.400 3.592 20 0 BHADHN CC[C@H](F)CN[C@@H](CC)c1ccc(C)cc1 ZINC000310011124 384782889 /nfs/dbraw/zinc/78/28/89/384782889.db2.gz IPCLKQKWYBJRRP-KBPBESRZSA-N 0 3 223.335 3.784 20 0 BHADHN CC[C@@H](F)CN[C@@H](CC)c1ccc(C)cc1 ZINC000310011125 384783416 /nfs/dbraw/zinc/78/34/16/384783416.db2.gz IPCLKQKWYBJRRP-KGLIPLIRSA-N 0 3 223.335 3.784 20 0 BHADHN CC[C@@H](NC[C@@H](F)CC)c1ccc(C)cc1 ZINC000310011126 384784430 /nfs/dbraw/zinc/78/44/30/384784430.db2.gz IPCLKQKWYBJRRP-UONOGXRCSA-N 0 3 223.335 3.784 20 0 BHADHN CC[C@@H](F)CN[C@H](CC)c1ccc(C)cc1 ZINC000310011127 384782908 /nfs/dbraw/zinc/78/29/08/384782908.db2.gz IPCLKQKWYBJRRP-ZIAGYGMSSA-N 0 3 223.335 3.784 20 0 BHADHN CCC[C@@H](C)N[C@@H]1COc2c1cccc2Cl ZINC000310016742 491160156 /nfs/dbraw/zinc/16/01/56/491160156.db2.gz LERRDQPPULAZLZ-BXKDBHETSA-N 0 3 239.746 3.552 20 0 BHADHN CCC[C@H](C)N[C@H]1COc2c1cccc2Cl ZINC000310016743 491160200 /nfs/dbraw/zinc/16/02/00/491160200.db2.gz LERRDQPPULAZLZ-CABZTGNLSA-N 0 3 239.746 3.552 20 0 BHADHN CCC[C@H](C)N[C@@H]1COc2c1cccc2Cl ZINC000310016744 491160174 /nfs/dbraw/zinc/16/01/74/491160174.db2.gz LERRDQPPULAZLZ-JOYOIKCWSA-N 0 3 239.746 3.552 20 0 BHADHN CCC[C@@H](C)N[C@H]1COc2c1cccc2Cl ZINC000310016745 491160202 /nfs/dbraw/zinc/16/02/02/491160202.db2.gz LERRDQPPULAZLZ-SKDRFNHKSA-N 0 3 239.746 3.552 20 0 BHADHN CC[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1nc(C)cs1 ZINC000310022076 384789453 /nfs/dbraw/zinc/78/94/53/384789453.db2.gz NWEYPPGVRBYYDO-KXGXSXBTSA-N 0 3 238.400 3.537 20 0 BHADHN CC[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1nc(C)cs1 ZINC000310022077 385043889 /nfs/dbraw/zinc/04/38/89/385043889.db2.gz NWEYPPGVRBYYDO-NUGNTBJXSA-N 0 3 238.400 3.537 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1nc(C)cs1 ZINC000310022078 385043191 /nfs/dbraw/zinc/04/31/91/385043191.db2.gz NWEYPPGVRBYYDO-PDEGPIFNSA-N 0 3 238.400 3.537 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1nc(C)cs1 ZINC000310022079 385043511 /nfs/dbraw/zinc/04/35/11/385043511.db2.gz NWEYPPGVRBYYDO-ZDDJMSTPSA-N 0 3 238.400 3.537 20 0 BHADHN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1csc(C)n1 ZINC000310027301 344509385 /nfs/dbraw/zinc/50/93/85/344509385.db2.gz PYJRVIRNCKIYEL-JLLWLGSASA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1csc(C)n1 ZINC000310027302 171002339 /nfs/dbraw/zinc/00/23/39/171002339.db2.gz PYJRVIRNCKIYEL-MVWJERBFSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1csc(C)n1 ZINC000310027303 384792223 /nfs/dbraw/zinc/79/22/23/384792223.db2.gz PYJRVIRNCKIYEL-WCQGTBRESA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@@H]1CCC[C@H]1N[C@H](C)c1csc(C)n1 ZINC000310027304 171003100 /nfs/dbraw/zinc/00/31/00/171003100.db2.gz PYJRVIRNCKIYEL-YUSALJHKSA-N 0 3 238.400 3.681 20 0 BHADHN CCCCC[C@H](C)N[C@H](C)c1cc(C)on1 ZINC000310028982 632694497 /nfs/dbraw/zinc/69/44/97/632694497.db2.gz QNRHIPGEOYQXQH-CMPLNLGQSA-N 0 3 224.348 3.602 20 0 BHADHN CCCCC[C@H](C)N[C@@H](C)c1cc(C)on1 ZINC000310028984 634091594 /nfs/dbraw/zinc/09/15/94/634091594.db2.gz QNRHIPGEOYQXQH-JQWIXIFHSA-N 0 3 224.348 3.602 20 0 BHADHN CCCCC[C@@H](C)N[C@@H](C)c1cc(C)on1 ZINC000310028986 634090905 /nfs/dbraw/zinc/09/09/05/634090905.db2.gz QNRHIPGEOYQXQH-PWSUYJOCSA-N 0 3 224.348 3.602 20 0 BHADHN CCCCC[C@@H](C)N[C@H](C)c1cc(C)on1 ZINC000310028987 634092048 /nfs/dbraw/zinc/09/20/48/634092048.db2.gz QNRHIPGEOYQXQH-ZYHUDNBSSA-N 0 3 224.348 3.602 20 0 BHADHN CCC1(C)CCC(NCc2cscn2)CC1 ZINC000310029363 384792306 /nfs/dbraw/zinc/79/23/06/384792306.db2.gz QPVKODNLCPDTOV-UHFFFAOYSA-N 0 3 238.400 3.592 20 0 BHADHN CCC1(CNCc2ccco2)CCCCC1 ZINC000310032079 388473582 /nfs/dbraw/zinc/47/35/82/388473582.db2.gz RJTGAXGZYXMIDN-UHFFFAOYSA-N 0 3 221.344 3.730 20 0 BHADHN CCC(CC)[C@H](NCCF)c1ccccc1 ZINC000310034961 384594450 /nfs/dbraw/zinc/59/44/50/384594450.db2.gz SUCXFGVGPBSUDX-AWEZNQCLSA-N 0 3 223.335 3.723 20 0 BHADHN CCC(CC)[C@@H](NCCF)c1ccccc1 ZINC000310034962 384593324 /nfs/dbraw/zinc/59/33/24/384593324.db2.gz SUCXFGVGPBSUDX-CQSZACIVSA-N 0 3 223.335 3.723 20 0 BHADHN CCC(CC)NCc1c(F)cccc1SC ZINC000310037441 398052831 /nfs/dbraw/zinc/05/28/31/398052831.db2.gz VCUXFYZTLZWXPH-UHFFFAOYSA-N 0 3 241.375 3.826 20 0 BHADHN CC[C@@](C)(NCCCC(C)C)c1nccs1 ZINC000310037450 398052816 /nfs/dbraw/zinc/05/28/16/398052816.db2.gz VDGLDUGSBMAEKW-CYBMUJFWSA-N 0 3 240.416 3.794 20 0 BHADHN CC[C@](C)(NCCCC(C)C)c1nccs1 ZINC000310037451 398052699 /nfs/dbraw/zinc/05/26/99/398052699.db2.gz VDGLDUGSBMAEKW-ZDUSSCGKSA-N 0 3 240.416 3.794 20 0 BHADHN CCCC[C@@H](CCC)NCc1ncc(C)s1 ZINC000310038488 384599107 /nfs/dbraw/zinc/59/91/07/384599107.db2.gz WDDLAQXJQKXQST-GFCCVEGCSA-N 0 3 240.416 3.900 20 0 BHADHN CCCC[C@H](CCC)NCc1ncc(C)s1 ZINC000310038489 384596716 /nfs/dbraw/zinc/59/67/16/384596716.db2.gz WDDLAQXJQKXQST-LBPRGKRZSA-N 0 3 240.416 3.900 20 0 BHADHN CC/C=C\CCN[C@@H](CC)c1nc(C)cs1 ZINC000310038522 384599085 /nfs/dbraw/zinc/59/90/85/384599085.db2.gz WERAYHXLXCSHBF-DGMVEKRQSA-N 0 3 238.400 3.849 20 0 BHADHN CC/C=C\CCN[C@H](CC)c1nc(C)cs1 ZINC000310038523 384597810 /nfs/dbraw/zinc/59/78/10/384597810.db2.gz WERAYHXLXCSHBF-ZHRWSRJISA-N 0 3 238.400 3.849 20 0 BHADHN CC[C@H](C)CNCc1c(F)cccc1SC ZINC000310038735 384597906 /nfs/dbraw/zinc/59/79/06/384597906.db2.gz WJNYGJMQFNVCPL-JTQLQIEISA-N 0 3 241.375 3.683 20 0 BHADHN CC[C@@H](C)CNCc1c(F)cccc1SC ZINC000310038736 384597682 /nfs/dbraw/zinc/59/76/82/384597682.db2.gz WJNYGJMQFNVCPL-SNVBAGLBSA-N 0 3 241.375 3.683 20 0 BHADHN CCC1CC(N[C@@H](C)c2cc(C)oc2C)C1 ZINC000310039968 384809145 /nfs/dbraw/zinc/80/91/45/384809145.db2.gz XMJSXNPYIGLTMG-PKSQDBQZSA-N 0 3 221.344 3.736 20 0 BHADHN CCC1CC(N[C@H](C)c2cc(C)oc2C)C1 ZINC000310039969 168513248 /nfs/dbraw/zinc/51/32/48/168513248.db2.gz XMJSXNPYIGLTMG-QFWMXSHPSA-N 0 3 221.344 3.736 20 0 BHADHN CC[C@@H](F)CN[C@@H](C)c1ccc(SC)cc1 ZINC000310039986 384599493 /nfs/dbraw/zinc/59/94/93/384599493.db2.gz XMTJJBXLSJIRPN-CMPLNLGQSA-N 0 3 241.375 3.807 20 0 BHADHN CC[C@H](F)CN[C@@H](C)c1ccc(SC)cc1 ZINC000310039987 384596844 /nfs/dbraw/zinc/59/68/44/384596844.db2.gz XMTJJBXLSJIRPN-JQWIXIFHSA-N 0 3 241.375 3.807 20 0 BHADHN CC[C@@H](F)CN[C@H](C)c1ccc(C)cc1C ZINC000310040210 347222428 /nfs/dbraw/zinc/22/24/28/347222428.db2.gz XQOZXHCAPSVHLD-CHWSQXEVSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@H](F)CN[C@H](C)c1ccc(C)cc1C ZINC000310040211 529438332 /nfs/dbraw/zinc/43/83/32/529438332.db2.gz XQOZXHCAPSVHLD-OLZOCXBDSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@@H](F)CN[C@@H](C)c1ccc(C)cc1C ZINC000310040212 384597989 /nfs/dbraw/zinc/59/79/89/384597989.db2.gz XQOZXHCAPSVHLD-QWHCGFSZSA-N 0 3 223.335 3.702 20 0 BHADHN CC[C@H](F)CN[C@@H](C)c1ccc(C)cc1C ZINC000310040213 384597630 /nfs/dbraw/zinc/59/76/30/384597630.db2.gz XQOZXHCAPSVHLD-STQMWFEESA-N 0 3 223.335 3.702 20 0 BHADHN CCCCNCc1cccc(Cl)c1OCC ZINC000310042083 384601149 /nfs/dbraw/zinc/60/11/49/384601149.db2.gz ZEYGPMKZXAPEOW-UHFFFAOYSA-N 0 3 241.762 3.628 20 0 BHADHN C[C@H](N[C@H]1C=CCCCCC1)c1ccccn1 ZINC000310058722 229487325 /nfs/dbraw/zinc/48/73/25/229487325.db2.gz DWIYBXDGRQHUFN-KBPBESRZSA-N 0 3 230.355 3.621 20 0 BHADHN C[C@H](N[C@@H]1C=CCCCCC1)c1ccccn1 ZINC000310058724 388475687 /nfs/dbraw/zinc/47/56/87/388475687.db2.gz DWIYBXDGRQHUFN-UONOGXRCSA-N 0 3 230.355 3.621 20 0 BHADHN Cc1noc(C)c1[C@H](C)NCCC1CCCC1 ZINC000310060919 491159925 /nfs/dbraw/zinc/15/99/25/491159925.db2.gz PKQAWVOYOPGKIY-JTQLQIEISA-N 0 3 236.359 3.522 20 0 BHADHN Cc1noc(C)c1[C@@H](C)NCCC1CCCC1 ZINC000310060920 491159961 /nfs/dbraw/zinc/15/99/61/491159961.db2.gz PKQAWVOYOPGKIY-SNVBAGLBSA-N 0 3 236.359 3.522 20 0 BHADHN C[C@@H](N[C@H]1C=CCCCCC1)c1ccccn1 ZINC000310066088 388475585 /nfs/dbraw/zinc/47/55/85/388475585.db2.gz DWIYBXDGRQHUFN-KGLIPLIRSA-N 0 3 230.355 3.621 20 0 BHADHN C[C@@H](N[C@@H]1C=CCCCCC1)c1ccccn1 ZINC000310066089 388475733 /nfs/dbraw/zinc/47/57/33/388475733.db2.gz DWIYBXDGRQHUFN-ZIAGYGMSSA-N 0 3 230.355 3.621 20 0 BHADHN COc1ccccc1[C@@H](C)N[C@@H]1CCC1(C)C ZINC000310096341 388475651 /nfs/dbraw/zinc/47/56/51/388475651.db2.gz VHKHNIFUQVSIQL-BXUZGUMPSA-N 0 3 233.355 3.534 20 0 BHADHN COc1ccccc1[C@H](C)N[C@H]1CCC1(C)C ZINC000310096343 388475863 /nfs/dbraw/zinc/47/58/63/388475863.db2.gz VHKHNIFUQVSIQL-FZMZJTMJSA-N 0 3 233.355 3.534 20 0 BHADHN COc1ccccc1[C@@H](C)N[C@H]1CCC1(C)C ZINC000310096345 388475691 /nfs/dbraw/zinc/47/56/91/388475691.db2.gz VHKHNIFUQVSIQL-RISCZKNCSA-N 0 3 233.355 3.534 20 0 BHADHN COc1ccccc1[C@H](C)N[C@@H]1CCC1(C)C ZINC000310096347 388475838 /nfs/dbraw/zinc/47/58/38/388475838.db2.gz VHKHNIFUQVSIQL-SMDDNHRTSA-N 0 3 233.355 3.534 20 0 BHADHN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1cccc(F)c1 ZINC000310150564 491160550 /nfs/dbraw/zinc/16/05/50/491160550.db2.gz HYSJVLNRGQHURF-BXKDBHETSA-N 0 3 243.272 3.664 20 0 BHADHN C[C@H](N[C@H]1CCC(F)(F)C1)c1cccc(F)c1 ZINC000310150565 491160558 /nfs/dbraw/zinc/16/05/58/491160558.db2.gz HYSJVLNRGQHURF-CABZTGNLSA-N 0 3 243.272 3.664 20 0 BHADHN C[C@H](N[C@@H]1CCC(F)(F)C1)c1cccc(F)c1 ZINC000310150566 491160552 /nfs/dbraw/zinc/16/05/52/491160552.db2.gz HYSJVLNRGQHURF-JOYOIKCWSA-N 0 3 243.272 3.664 20 0 BHADHN C[C@@H](N[C@H]1CCC(F)(F)C1)c1cccc(F)c1 ZINC000310150567 491160544 /nfs/dbraw/zinc/16/05/44/491160544.db2.gz HYSJVLNRGQHURF-SKDRFNHKSA-N 0 3 243.272 3.664 20 0 BHADHN C[C@@H]1CC[C@H]1NCc1c(Cl)oc2ccccc21 ZINC000310161344 384651625 /nfs/dbraw/zinc/65/16/25/384651625.db2.gz IQQDJPULBUAGQS-BXKDBHETSA-N 0 3 249.741 3.974 20 0 BHADHN C[C@H]1CC[C@@H]1NCc1c(Cl)oc2ccccc21 ZINC000310161345 384650582 /nfs/dbraw/zinc/65/05/82/384650582.db2.gz IQQDJPULBUAGQS-CABZTGNLSA-N 0 3 249.741 3.974 20 0 BHADHN C[C@H]1CC[C@H]1NCc1c(Cl)oc2ccccc21 ZINC000310161346 384649017 /nfs/dbraw/zinc/64/90/17/384649017.db2.gz IQQDJPULBUAGQS-JOYOIKCWSA-N 0 3 249.741 3.974 20 0 BHADHN C[C@@H]1CC[C@@H]1NCc1c(Cl)oc2ccccc21 ZINC000310161347 384644929 /nfs/dbraw/zinc/64/49/29/384644929.db2.gz IQQDJPULBUAGQS-SKDRFNHKSA-N 0 3 249.741 3.974 20 0 BHADHN C[C@@H]1SCC[C@H]1Nc1ccnc2ccccc21 ZINC000310177636 411218131 /nfs/dbraw/zinc/21/81/31/411218131.db2.gz RXEVKQYIISFHPL-CMPLNLGQSA-N 0 3 244.363 3.541 20 0 BHADHN C[C@@H]1SCC[C@@H]1Nc1ccnc2ccccc21 ZINC000310177637 411218034 /nfs/dbraw/zinc/21/80/34/411218034.db2.gz RXEVKQYIISFHPL-JQWIXIFHSA-N 0 3 244.363 3.541 20 0 BHADHN C[C@H]1SCC[C@@H]1Nc1ccnc2ccccc21 ZINC000310177638 411218658 /nfs/dbraw/zinc/21/86/58/411218658.db2.gz RXEVKQYIISFHPL-PWSUYJOCSA-N 0 3 244.363 3.541 20 0 BHADHN C[C@H]1SCC[C@H]1Nc1ccnc2ccccc21 ZINC000310177639 411218022 /nfs/dbraw/zinc/21/80/22/411218022.db2.gz RXEVKQYIISFHPL-ZYHUDNBSSA-N 0 3 244.363 3.541 20 0 BHADHN Cc1cc(NCCCCF)c2ccccc2n1 ZINC000310228599 178158825 /nfs/dbraw/zinc/15/88/25/178158825.db2.gz HCWYWXZHZVNJLL-UHFFFAOYSA-N 0 3 232.302 3.705 20 0 BHADHN FCCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000310237327 387535809 /nfs/dbraw/zinc/53/58/09/387535809.db2.gz RYHQAWRKKQPHMB-LLVKDONJSA-N 0 3 249.251 3.629 20 0 BHADHN FCCCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000310237743 387535945 /nfs/dbraw/zinc/53/59/45/387535945.db2.gz RYHQAWRKKQPHMB-NSHDSACASA-N 0 3 249.251 3.629 20 0 BHADHN FCCN[C@@H](c1ccccc1)C1CCCCC1 ZINC000310246869 384724220 /nfs/dbraw/zinc/72/42/20/384724220.db2.gz VYOAMUBVYHDQHU-HNNXBMFYSA-N 0 3 235.346 3.867 20 0 BHADHN FCCN[C@H](c1ccccc1)C1CCCCC1 ZINC000310246873 384723918 /nfs/dbraw/zinc/72/39/18/384723918.db2.gz VYOAMUBVYHDQHU-OAHLLOKOSA-N 0 3 235.346 3.867 20 0 BHADHN C[C@@H](N[C@@H]1CCC1(C)C)c1ccc(F)cc1F ZINC000310302932 388479361 /nfs/dbraw/zinc/47/93/61/388479361.db2.gz QUUXSCHCWBUWES-NOZJJQNGSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H]1CCC1(C)C)c1ccc(F)cc1F ZINC000310302933 388479324 /nfs/dbraw/zinc/47/93/24/388479324.db2.gz QUUXSCHCWBUWES-RNCFNFMXSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CCC1(C)C)c1ccc(F)cc1F ZINC000310302934 388479300 /nfs/dbraw/zinc/47/93/00/388479300.db2.gz QUUXSCHCWBUWES-TVQRCGJNSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CCC1(C)C)c1ccc(F)cc1F ZINC000310302935 388479828 /nfs/dbraw/zinc/47/98/28/388479828.db2.gz QUUXSCHCWBUWES-ZANVPECISA-N 0 3 239.309 3.804 20 0 BHADHN CCCC[C@@H](C)NCc1cc(F)ccc1OC ZINC000310324893 388481049 /nfs/dbraw/zinc/48/10/49/388481049.db2.gz AGUDFKKVPXJCHP-LLVKDONJSA-N 0 3 239.334 3.503 20 0 BHADHN CCCC[C@H](C)NCc1cc(F)ccc1OC ZINC000310324896 388480948 /nfs/dbraw/zinc/48/09/48/388480948.db2.gz AGUDFKKVPXJCHP-NSHDSACASA-N 0 3 239.334 3.503 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCC2(C)C)o1 ZINC000310337312 384996109 /nfs/dbraw/zinc/99/61/09/384996109.db2.gz BTEUJLPGYVIMKD-MPKXVKKWSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCC2(C)C)o1 ZINC000310337313 384994694 /nfs/dbraw/zinc/99/46/94/384994694.db2.gz BTEUJLPGYVIMKD-OSMZGAPFSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCC2(C)C)o1 ZINC000310337314 384995407 /nfs/dbraw/zinc/99/54/07/384995407.db2.gz BTEUJLPGYVIMKD-QKCSRTOESA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCC2(C)C)o1 ZINC000310337315 384994076 /nfs/dbraw/zinc/99/40/76/384994076.db2.gz BTEUJLPGYVIMKD-SCDSUCTJSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H]1C[C@@H](NCCC(F)(F)F)c2ccccc21 ZINC000310352555 176375195 /nfs/dbraw/zinc/37/51/95/176375195.db2.gz PSZAFSOFTFLPHC-BXKDBHETSA-N 0 3 243.272 3.777 20 0 BHADHN C[C@H]1C[C@H](NCCC(F)(F)F)c2ccccc21 ZINC000310352557 177369204 /nfs/dbraw/zinc/36/92/04/177369204.db2.gz PSZAFSOFTFLPHC-CABZTGNLSA-N 0 3 243.272 3.777 20 0 BHADHN C[C@H]1C[C@@H](NCCC(F)(F)F)c2ccccc21 ZINC000310352561 177330584 /nfs/dbraw/zinc/33/05/84/177330584.db2.gz PSZAFSOFTFLPHC-JOYOIKCWSA-N 0 3 243.272 3.777 20 0 BHADHN C[C@@H]1C[C@H](NCCC(F)(F)F)c2ccccc21 ZINC000310352562 384144425 /nfs/dbraw/zinc/14/44/25/384144425.db2.gz PSZAFSOFTFLPHC-SKDRFNHKSA-N 0 3 243.272 3.777 20 0 BHADHN Cc1ccc(CNC[C@@H](C)C2CCCCC2)o1 ZINC000310366285 370339982 /nfs/dbraw/zinc/33/99/82/370339982.db2.gz WEYKJVXTKRWUGY-GFCCVEGCSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccc(CNC[C@H](C)C2CCCCC2)o1 ZINC000310366287 370339877 /nfs/dbraw/zinc/33/98/77/370339877.db2.gz WEYKJVXTKRWUGY-LBPRGKRZSA-N 0 3 235.371 3.894 20 0 BHADHN CC1(C)CC[C@H]1NCc1nc2ccccc2s1 ZINC000310389764 259382206 /nfs/dbraw/zinc/38/22/06/259382206.db2.gz RJBBNBFLPNTLIC-GFCCVEGCSA-N 0 3 246.379 3.575 20 0 BHADHN CC1(C)CC[C@@H]1NCc1nc2ccccc2s1 ZINC000310389765 259382287 /nfs/dbraw/zinc/38/22/87/259382287.db2.gz RJBBNBFLPNTLIC-LBPRGKRZSA-N 0 3 246.379 3.575 20 0 BHADHN CCCC[C@@H](C)[N@@H+](C)Cc1cc([O-])cc(F)c1 ZINC000310411264 259327333 /nfs/dbraw/zinc/32/73/33/259327333.db2.gz OZABKRAVABGEPA-LLVKDONJSA-N 0 3 239.334 3.542 20 0 BHADHN CCCC[C@@H](C)[N@H+](C)Cc1cc([O-])cc(F)c1 ZINC000310411264 259327331 /nfs/dbraw/zinc/32/73/31/259327331.db2.gz OZABKRAVABGEPA-LLVKDONJSA-N 0 3 239.334 3.542 20 0 BHADHN CCCC[C@H](C)[N@@H+](C)Cc1cc([O-])cc(F)c1 ZINC000310411269 385044918 /nfs/dbraw/zinc/04/49/18/385044918.db2.gz OZABKRAVABGEPA-NSHDSACASA-N 0 3 239.334 3.542 20 0 BHADHN CCCC[C@H](C)[N@H+](C)Cc1cc([O-])cc(F)c1 ZINC000310411269 385044910 /nfs/dbraw/zinc/04/49/10/385044910.db2.gz OZABKRAVABGEPA-NSHDSACASA-N 0 3 239.334 3.542 20 0 BHADHN Cc1ccoc1CN[C@H](c1cccs1)C1CC1 ZINC000310414954 385055883 /nfs/dbraw/zinc/05/58/83/385055883.db2.gz MXSKOKLPBFTZNL-AWEZNQCLSA-N 0 3 247.363 3.890 20 0 BHADHN Cc1ccoc1CN[C@@H](c1cccs1)C1CC1 ZINC000310414957 385056044 /nfs/dbraw/zinc/05/60/44/385056044.db2.gz MXSKOKLPBFTZNL-CQSZACIVSA-N 0 3 247.363 3.890 20 0 BHADHN CC(C)SCCNCc1cc2ccccc2o1 ZINC000310429243 167329798 /nfs/dbraw/zinc/32/97/98/167329798.db2.gz RBPPJUCHZHMBBK-UHFFFAOYSA-N 0 3 249.379 3.664 20 0 BHADHN C[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1c(F)cccc1F ZINC000310466556 388483570 /nfs/dbraw/zinc/48/35/70/388483570.db2.gz ZSINXGXWEHJDOP-AVWBDOJWSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1c(F)cccc1F ZINC000310466557 388483874 /nfs/dbraw/zinc/48/38/74/388483874.db2.gz ZSINXGXWEHJDOP-KEPMVKOISA-N 0 3 239.309 3.660 20 0 BHADHN C[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1c(F)cccc1F ZINC000310466558 388483994 /nfs/dbraw/zinc/48/39/94/388483994.db2.gz ZSINXGXWEHJDOP-MPXOCVNLSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1c(F)cccc1F ZINC000310466559 384837853 /nfs/dbraw/zinc/83/78/53/384837853.db2.gz ZSINXGXWEHJDOP-ORXSELOVSA-N 0 3 239.309 3.660 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cccnc2C)s1 ZINC000310486212 343509577 /nfs/dbraw/zinc/50/95/77/343509577.db2.gz GHILUUBBRNWWJL-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc([C@H](C)NCc2cccnc2C)s1 ZINC000310486213 343509669 /nfs/dbraw/zinc/50/96/69/343509669.db2.gz GHILUUBBRNWWJL-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CCCC(C)(C)NCc1cc(F)ccc1OC ZINC000310489070 388483764 /nfs/dbraw/zinc/48/37/64/388483764.db2.gz FLYJOYGONCDPMQ-UHFFFAOYSA-N 0 3 239.334 3.503 20 0 BHADHN CCc1ccccc1CNCc1ccsc1C ZINC000310498376 384850214 /nfs/dbraw/zinc/85/02/14/384850214.db2.gz HHWUUKGBKZBRDC-UHFFFAOYSA-N 0 3 245.391 3.909 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1ccc(F)cc1F ZINC000310519594 388483473 /nfs/dbraw/zinc/48/34/73/388483473.db2.gz NFJIKKURSQWKKC-DLVJRCHESA-N 0 3 239.309 3.660 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(F)cc1F ZINC000310519595 388483951 /nfs/dbraw/zinc/48/39/51/388483951.db2.gz NFJIKKURSQWKKC-MAGOMRGPSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000310529706 491161880 /nfs/dbraw/zinc/16/18/80/491161880.db2.gz YXFMDIAUWLSMQY-BXKDBHETSA-N 0 3 243.272 3.664 20 0 BHADHN C[C@H](N[C@H]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000310529707 491161907 /nfs/dbraw/zinc/16/19/07/491161907.db2.gz YXFMDIAUWLSMQY-CABZTGNLSA-N 0 3 243.272 3.664 20 0 BHADHN C[C@H](N[C@@H]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000310529708 491161885 /nfs/dbraw/zinc/16/18/85/491161885.db2.gz YXFMDIAUWLSMQY-JOYOIKCWSA-N 0 3 243.272 3.664 20 0 BHADHN C[C@@H](N[C@H]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000310529709 491161894 /nfs/dbraw/zinc/16/18/94/491161894.db2.gz YXFMDIAUWLSMQY-SKDRFNHKSA-N 0 3 243.272 3.664 20 0 BHADHN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccccc1F ZINC000310537239 491161916 /nfs/dbraw/zinc/16/19/16/491161916.db2.gz BBBKZDNMJAOKNA-NXEZZACHSA-N 0 3 243.272 3.664 20 0 BHADHN C[C@H](N[C@H]1CCC(F)(F)C1)c1ccccc1F ZINC000310537240 491161919 /nfs/dbraw/zinc/16/19/19/491161919.db2.gz BBBKZDNMJAOKNA-UWVGGRQHSA-N 0 3 243.272 3.664 20 0 BHADHN C[C@H](N[C@@H]1CCC(F)(F)C1)c1ccccc1F ZINC000310537241 491161914 /nfs/dbraw/zinc/16/19/14/491161914.db2.gz BBBKZDNMJAOKNA-VHSXEESVSA-N 0 3 243.272 3.664 20 0 BHADHN C[C@@H](N[C@H]1CCC(F)(F)C1)c1ccccc1F ZINC000310537242 491161911 /nfs/dbraw/zinc/16/19/11/491161911.db2.gz BBBKZDNMJAOKNA-ZJUUUORDSA-N 0 3 243.272 3.664 20 0 BHADHN CC(C)(C)C(C)(C)NCc1ccc(F)cc1F ZINC000310555927 411242690 /nfs/dbraw/zinc/24/26/90/411242690.db2.gz YHJGTGBGQAHFKT-UHFFFAOYSA-N 0 3 241.325 3.879 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC(F)(F)C2)c(C)o1 ZINC000310556768 491161972 /nfs/dbraw/zinc/16/19/72/491161972.db2.gz IMPXFSVVJJLJMP-GXSJLCMTSA-N 0 3 243.297 3.735 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CCC(F)(F)C2)c(C)o1 ZINC000310556769 491161965 /nfs/dbraw/zinc/16/19/65/491161965.db2.gz IMPXFSVVJJLJMP-KOLCDFICSA-N 0 3 243.297 3.735 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CCC(F)(F)C2)c(C)o1 ZINC000310556770 491161991 /nfs/dbraw/zinc/16/19/91/491161991.db2.gz IMPXFSVVJJLJMP-MWLCHTKSSA-N 0 3 243.297 3.735 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCC(F)(F)C2)c(C)o1 ZINC000310556771 491161954 /nfs/dbraw/zinc/16/19/54/491161954.db2.gz IMPXFSVVJJLJMP-ONGXEEELSA-N 0 3 243.297 3.735 20 0 BHADHN CC(C)C[C@H](C)CNc1cccc(CN(C)C)c1 ZINC000310579519 384884459 /nfs/dbraw/zinc/88/44/59/384884459.db2.gz OMGFESGVKTTXKU-AWEZNQCLSA-N 0 3 248.414 3.842 20 0 BHADHN CC(C)C[C@@H](C)CNc1cccc(CN(C)C)c1 ZINC000310579520 384884132 /nfs/dbraw/zinc/88/41/32/384884132.db2.gz OMGFESGVKTTXKU-CQSZACIVSA-N 0 3 248.414 3.842 20 0 BHADHN CC(C)CCOCCNC(C)(C)c1ccccc1 ZINC000310656374 256530443 /nfs/dbraw/zinc/53/04/43/256530443.db2.gz HYXLMMYRIVUDKY-UHFFFAOYSA-N 0 3 249.398 3.574 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@@H]1C=CCCCCC1 ZINC000310678023 411247279 /nfs/dbraw/zinc/24/72/79/411247279.db2.gz QHJFWTMHFFTQAQ-BXUZGUMPSA-N 0 3 248.370 3.831 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@H]1C=CCCCCC1 ZINC000310678024 411247061 /nfs/dbraw/zinc/24/70/61/411247061.db2.gz QHJFWTMHFFTQAQ-FZMZJTMJSA-N 0 3 248.370 3.831 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@H]1C=CCCCCC1 ZINC000310678025 411246999 /nfs/dbraw/zinc/24/69/99/411246999.db2.gz QHJFWTMHFFTQAQ-RISCZKNCSA-N 0 3 248.370 3.831 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@@H]1C=CCCCCC1 ZINC000310678026 411247783 /nfs/dbraw/zinc/24/77/83/411247783.db2.gz QHJFWTMHFFTQAQ-SMDDNHRTSA-N 0 3 248.370 3.831 20 0 BHADHN CC(C)C1CCC(CN[C@@H](C)c2ncc[nH]2)CC1 ZINC000310690043 491162359 /nfs/dbraw/zinc/16/23/59/491162359.db2.gz QXGBGXIELMRARL-HSBZDZAISA-N 0 3 249.402 3.523 20 0 BHADHN CC(C)C1CCC(CN[C@H](C)c2ncc[nH]2)CC1 ZINC000310690044 491162361 /nfs/dbraw/zinc/16/23/61/491162361.db2.gz QXGBGXIELMRARL-IYXRBSQSSA-N 0 3 249.402 3.523 20 0 BHADHN CC[C@H](N[C@H](C)c1cn[nH]c1)c1cccc(C)c1 ZINC000310692721 385143847 /nfs/dbraw/zinc/14/38/47/385143847.db2.gz OIDPJSFFARHZQQ-DOMZBBRYSA-N 0 3 243.354 3.520 20 0 BHADHN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1cccc(C)c1 ZINC000310692723 347301230 /nfs/dbraw/zinc/30/12/30/347301230.db2.gz OIDPJSFFARHZQQ-IUODEOHRSA-N 0 3 243.354 3.520 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1cccc(C)c1 ZINC000310692724 347301016 /nfs/dbraw/zinc/30/10/16/347301016.db2.gz OIDPJSFFARHZQQ-SWLSCSKDSA-N 0 3 243.354 3.520 20 0 BHADHN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1cccc(C)c1 ZINC000310692726 385143959 /nfs/dbraw/zinc/14/39/59/385143959.db2.gz OIDPJSFFARHZQQ-WFASDCNBSA-N 0 3 243.354 3.520 20 0 BHADHN C[C@H](CNc1cccc(CN(C)C)c1)C(C)(C)C ZINC000310720328 487900611 /nfs/dbraw/zinc/90/06/11/487900611.db2.gz QQXGVDTZWPBQAE-CYBMUJFWSA-N 0 3 248.414 3.842 20 0 BHADHN C[C@@H](CNc1cccc(CN(C)C)c1)C(C)(C)C ZINC000310720331 487476210 /nfs/dbraw/zinc/47/62/10/487476210.db2.gz QQXGVDTZWPBQAE-ZDUSSCGKSA-N 0 3 248.414 3.842 20 0 BHADHN Cc1ccoc1CNc1ccnc2ccccc21 ZINC000310720588 385150297 /nfs/dbraw/zinc/15/02/97/385150297.db2.gz AGDGEUSJMMKJLM-UHFFFAOYSA-N 0 3 238.290 3.748 20 0 BHADHN Cc1ccccc1[C@H](C)NCc1cccnc1C ZINC000310789688 343576397 /nfs/dbraw/zinc/57/63/97/343576397.db2.gz AOZAVCOVXOOGPA-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN CCC(CC)n1ccc(CN[C@H]2CCC2(C)C)n1 ZINC000310836134 259385283 /nfs/dbraw/zinc/38/52/83/259385283.db2.gz ZUPWNPLRWDMOJU-AWEZNQCLSA-N 0 3 249.402 3.522 20 0 BHADHN CCC(CC)n1ccc(CN[C@@H]2CCC2(C)C)n1 ZINC000310836138 259385302 /nfs/dbraw/zinc/38/53/02/259385302.db2.gz ZUPWNPLRWDMOJU-CQSZACIVSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)Oc1ccccc1CN[C@H]1CCC1(C)C ZINC000310848978 388490213 /nfs/dbraw/zinc/49/02/13/388490213.db2.gz CRICRQYBATVPNP-HNNXBMFYSA-N 0 3 247.382 3.752 20 0 BHADHN CC(C)Oc1ccccc1CN[C@@H]1CCC1(C)C ZINC000310848992 528255013 /nfs/dbraw/zinc/25/50/13/528255013.db2.gz CRICRQYBATVPNP-OAHLLOKOSA-N 0 3 247.382 3.752 20 0 BHADHN CC1(C)CC[C@@H]1NCc1ccc2ccccc2n1 ZINC000310900880 347325237 /nfs/dbraw/zinc/32/52/37/347325237.db2.gz FEEHLAYADNBYKC-HNNXBMFYSA-N 0 3 240.350 3.513 20 0 BHADHN CC1(C)CC[C@H]1NCc1ccc2ccccc2n1 ZINC000310900883 347325181 /nfs/dbraw/zinc/32/51/81/347325181.db2.gz FEEHLAYADNBYKC-OAHLLOKOSA-N 0 3 240.350 3.513 20 0 BHADHN CCOc1ccccc1[C@@H](C)N[C@H]1CCC1(C)C ZINC000310964058 388491041 /nfs/dbraw/zinc/49/10/41/388491041.db2.gz UNVZGOOLJSPWFN-DOMZBBRYSA-N 0 3 247.382 3.925 20 0 BHADHN CCOc1ccccc1[C@@H](C)N[C@@H]1CCC1(C)C ZINC000310964062 388491500 /nfs/dbraw/zinc/49/15/00/388491500.db2.gz UNVZGOOLJSPWFN-IUODEOHRSA-N 0 3 247.382 3.925 20 0 BHADHN CCOc1ccccc1[C@H](C)N[C@@H]1CCC1(C)C ZINC000310964065 388491544 /nfs/dbraw/zinc/49/15/44/388491544.db2.gz UNVZGOOLJSPWFN-SWLSCSKDSA-N 0 3 247.382 3.925 20 0 BHADHN CCOc1ccccc1[C@H](C)N[C@H]1CCC1(C)C ZINC000310964069 388491215 /nfs/dbraw/zinc/49/12/15/388491215.db2.gz UNVZGOOLJSPWFN-WFASDCNBSA-N 0 3 247.382 3.925 20 0 BHADHN Cc1cccc([C@@H](C)NCc2cccnc2C)c1 ZINC000310991417 388490798 /nfs/dbraw/zinc/49/07/98/388490798.db2.gz VRWAMIBSFMSMHR-CYBMUJFWSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@H](C)NCc2cccnc2C)cc1 ZINC000311001061 343618910 /nfs/dbraw/zinc/61/89/10/343618910.db2.gz XSZZIZKNKGHWFW-ZDUSSCGKSA-N 0 3 240.350 3.549 20 0 BHADHN CC[C@H](NCc1cccnc1C)c1ccccc1 ZINC000311029406 388491908 /nfs/dbraw/zinc/49/19/08/388491908.db2.gz DQUCXKYKPCAUHT-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1cccnc1C)c1ccccc1 ZINC000311029408 388492684 /nfs/dbraw/zinc/49/26/84/388492684.db2.gz DQUCXKYKPCAUHT-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN CCCCOCCN[C@H]1C[C@H](C)c2ccccc21 ZINC000311059937 322942839 /nfs/dbraw/zinc/94/28/39/322942839.db2.gz JSPJGJUQJKVQNK-BBRMVZONSA-N 0 3 247.382 3.641 20 0 BHADHN CCCCOCCN[C@H]1C[C@@H](C)c2ccccc21 ZINC000311059938 385176136 /nfs/dbraw/zinc/17/61/36/385176136.db2.gz JSPJGJUQJKVQNK-CJNGLKHVSA-N 0 3 247.382 3.641 20 0 BHADHN CCCCOCCN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000311059939 322942781 /nfs/dbraw/zinc/94/27/81/322942781.db2.gz JSPJGJUQJKVQNK-CZUORRHYSA-N 0 3 247.382 3.641 20 0 BHADHN CCCCOCCN[C@@H]1C[C@H](C)c2ccccc21 ZINC000311059940 385175701 /nfs/dbraw/zinc/17/57/01/385175701.db2.gz JSPJGJUQJKVQNK-XJKSGUPXSA-N 0 3 247.382 3.641 20 0 BHADHN Cc1ccoc1CNCCCCc1ccccc1 ZINC000311087329 370384562 /nfs/dbraw/zinc/38/45/62/370384562.db2.gz HILMMHZEWUJDCE-UHFFFAOYSA-N 0 3 243.350 3.701 20 0 BHADHN C[C@@H](N[C@@H]1CCCCC12CCCC2)c1ncc[nH]1 ZINC000311112005 385320141 /nfs/dbraw/zinc/32/01/41/385320141.db2.gz MVAUUCMUMLXMHY-CHWSQXEVSA-N 0 3 247.386 3.563 20 0 BHADHN C[C@@H](N[C@H]1CCCCC12CCCC2)c1ncc[nH]1 ZINC000311112006 385319953 /nfs/dbraw/zinc/31/99/53/385319953.db2.gz MVAUUCMUMLXMHY-OLZOCXBDSA-N 0 3 247.386 3.563 20 0 BHADHN C[C@H](N[C@@H]1CCCCC12CCCC2)c1ncc[nH]1 ZINC000311112007 385317966 /nfs/dbraw/zinc/31/79/66/385317966.db2.gz MVAUUCMUMLXMHY-QWHCGFSZSA-N 0 3 247.386 3.563 20 0 BHADHN C[C@H](N[C@H]1CCCCC12CCCC2)c1ncc[nH]1 ZINC000311112008 385319986 /nfs/dbraw/zinc/31/99/86/385319986.db2.gz MVAUUCMUMLXMHY-STQMWFEESA-N 0 3 247.386 3.563 20 0 BHADHN Cc1cc(CN[C@H]2CCCCC23CCCC3)on1 ZINC000311147300 178040767 /nfs/dbraw/zinc/04/07/67/178040767.db2.gz VECCISSMNRRHEZ-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1cc(CN[C@@H]2CCCCC23CCCC3)on1 ZINC000311147301 178034108 /nfs/dbraw/zinc/03/41/08/178034108.db2.gz VECCISSMNRRHEZ-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN CCCC[C@@H](CC)NCc1oc(CC)nc1C ZINC000311748211 384019144 /nfs/dbraw/zinc/01/91/44/384019144.db2.gz IGAFZIYVBKWZKA-GFCCVEGCSA-N 0 3 238.375 3.604 20 0 BHADHN CCCC[C@H](CC)NCc1oc(CC)nc1C ZINC000311748212 384017785 /nfs/dbraw/zinc/01/77/85/384017785.db2.gz IGAFZIYVBKWZKA-LBPRGKRZSA-N 0 3 238.375 3.604 20 0 BHADHN Cc1nc(C)c(CN[C@@H](C)CCC(C)(C)C)o1 ZINC000311766962 346914078 /nfs/dbraw/zinc/91/40/78/346914078.db2.gz MAGPJYPDSPPZFF-JTQLQIEISA-N 0 3 238.375 3.596 20 0 BHADHN Cc1nc(C)c(CN[C@H](C)CCC(C)(C)C)o1 ZINC000311766963 346183429 /nfs/dbraw/zinc/18/34/29/346183429.db2.gz MAGPJYPDSPPZFF-SNVBAGLBSA-N 0 3 238.375 3.596 20 0 BHADHN CCCC(CCC)NCc1oc(CC)nc1C ZINC000311768052 388499825 /nfs/dbraw/zinc/49/98/25/388499825.db2.gz MENCQHFQKPACPT-UHFFFAOYSA-N 0 3 238.375 3.604 20 0 BHADHN CCCC[C@@H](CC)CNCc1oc(C)nc1C ZINC000311886242 346192686 /nfs/dbraw/zinc/19/26/86/346192686.db2.gz XMJQBTXJKGFRSU-CYBMUJFWSA-N 0 3 238.375 3.597 20 0 BHADHN CCCC[C@H](CC)CNCc1oc(C)nc1C ZINC000311886244 346192732 /nfs/dbraw/zinc/19/27/32/346192732.db2.gz XMJQBTXJKGFRSU-ZDUSSCGKSA-N 0 3 238.375 3.597 20 0 BHADHN CC[C@H](NCc1ccsc1Cl)C1CC1 ZINC000312554629 411398063 /nfs/dbraw/zinc/39/80/63/411398063.db2.gz GDMXQTIYDIABNN-JTQLQIEISA-N 0 3 229.776 3.680 20 0 BHADHN CC[C@@H](NCc1ccsc1Cl)C1CC1 ZINC000312554632 411398102 /nfs/dbraw/zinc/39/81/02/411398102.db2.gz GDMXQTIYDIABNN-SNVBAGLBSA-N 0 3 229.776 3.680 20 0 BHADHN FCCCNCc1cc(Cl)sc1Cl ZINC000312603053 398308718 /nfs/dbraw/zinc/30/87/18/398308718.db2.gz OAJNJZPMJLAKMU-UHFFFAOYSA-N 0 3 242.146 3.504 20 0 BHADHN CC[C@@H]1C[C@H]1CNCc1ccsc1Cl ZINC000312613351 384183206 /nfs/dbraw/zinc/18/32/06/384183206.db2.gz AJRYMWQKBIVNLN-SCZZXKLOSA-N 0 3 229.776 3.537 20 0 BHADHN CC[C@@H](C)CNCc1ccsc1Cl ZINC000312616066 386849397 /nfs/dbraw/zinc/84/93/97/386849397.db2.gz DFSMHEFMOVUFIF-MRVPVSSYSA-N 0 3 217.765 3.537 20 0 BHADHN CC[C@H](C)CNCc1ccsc1Cl ZINC000312616067 384188182 /nfs/dbraw/zinc/18/81/82/384188182.db2.gz DFSMHEFMOVUFIF-QMMMGPOBSA-N 0 3 217.765 3.537 20 0 BHADHN CC(F)(F)CCNCc1ccsc1Cl ZINC000312684319 259324243 /nfs/dbraw/zinc/32/42/43/259324243.db2.gz NOVPJPHNDUNQHX-UHFFFAOYSA-N 0 3 239.718 3.536 20 0 BHADHN Clc1sccc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000312751291 384461424 /nfs/dbraw/zinc/46/14/24/384461424.db2.gz XAPHBFYSTGXBAR-DVVUODLYSA-N 0 3 241.787 3.680 20 0 BHADHN Clc1sccc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000312751293 322920665 /nfs/dbraw/zinc/92/06/65/322920665.db2.gz XAPHBFYSTGXBAR-MIMYLULJSA-N 0 3 241.787 3.680 20 0 BHADHN Cc1cc(CN[C@H]2CCCC23CCCCC3)no1 ZINC000313030864 370564021 /nfs/dbraw/zinc/56/40/21/370564021.db2.gz BZDDMEPTXNITDB-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1cc(CN[C@@H]2CCCC23CCCCC3)no1 ZINC000313030865 370564525 /nfs/dbraw/zinc/56/45/25/370564525.db2.gz BZDDMEPTXNITDB-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1cc(CN[C@H]2CCCC23CCCCC3)on1 ZINC000313031441 256534380 /nfs/dbraw/zinc/53/43/80/256534380.db2.gz CMTYKPFXQIKOTA-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1cc(CN[C@@H]2CCCC23CCCCC3)on1 ZINC000313031457 385221399 /nfs/dbraw/zinc/22/13/99/385221399.db2.gz CMTYKPFXQIKOTA-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN CC(C)(C)CCCNCc1c(F)cccc1F ZINC000313272256 370575605 /nfs/dbraw/zinc/57/56/05/370575605.db2.gz QKHHXASXCAOCRP-UHFFFAOYSA-N 0 3 241.325 3.881 20 0 BHADHN CC(C)(C)CCCNCc1cccc(F)c1F ZINC000313273534 343976564 /nfs/dbraw/zinc/97/65/64/343976564.db2.gz RZFRPAKJYGQIGO-UHFFFAOYSA-N 0 3 241.325 3.881 20 0 BHADHN C[C@@H](NCCOCC1CCCC1)c1ccccc1 ZINC000313302223 256547054 /nfs/dbraw/zinc/54/70/54/256547054.db2.gz PNPJUCDVIDJAQX-CQSZACIVSA-N 0 3 247.382 3.544 20 0 BHADHN CCC[C@@H](NCc1nccs1)C1CCCC1 ZINC000313455976 384396228 /nfs/dbraw/zinc/39/62/28/384396228.db2.gz BIFBVXINTWJCIP-GFCCVEGCSA-N 0 3 238.400 3.592 20 0 BHADHN CCC[C@H](NCc1nccs1)C1CCCC1 ZINC000313455977 384396073 /nfs/dbraw/zinc/39/60/73/384396073.db2.gz BIFBVXINTWJCIP-LBPRGKRZSA-N 0 3 238.400 3.592 20 0 BHADHN CCC[C@@H](NCc1cscn1)C1CCCC1 ZINC000313476055 384415122 /nfs/dbraw/zinc/41/51/22/384415122.db2.gz UHKGZWSGAJSFGO-CYBMUJFWSA-N 0 3 238.400 3.592 20 0 BHADHN CCC[C@H](NCc1cscn1)C1CCCC1 ZINC000313476057 384415658 /nfs/dbraw/zinc/41/56/58/384415658.db2.gz UHKGZWSGAJSFGO-ZDUSSCGKSA-N 0 3 238.400 3.592 20 0 BHADHN CC(C)(C)CCCNCc1ccncc1Cl ZINC000313479856 351364028 /nfs/dbraw/zinc/36/40/28/351364028.db2.gz JFIGOXXONWNUCM-UHFFFAOYSA-N 0 3 240.778 3.651 20 0 BHADHN Cc1ccc(CN[C@H](C)CCC(C)C)nc1C ZINC000313877653 256600686 /nfs/dbraw/zinc/60/06/86/256600686.db2.gz BIWKYYDGAOILMG-CYBMUJFWSA-N 0 3 234.387 3.613 20 0 BHADHN Cc1ccc(CN[C@@H](C)CCC(C)C)nc1C ZINC000313877658 384688147 /nfs/dbraw/zinc/68/81/47/384688147.db2.gz BIWKYYDGAOILMG-ZDUSSCGKSA-N 0 3 234.387 3.613 20 0 BHADHN Cc1occc1CN[C@H](C)c1ccc(C)cc1 ZINC000320960471 387816304 /nfs/dbraw/zinc/81/63/04/387816304.db2.gz AIMTVOWLKKVJOU-GFCCVEGCSA-N 0 3 229.323 3.747 20 0 BHADHN Cc1occc1CN[C@@H](C)c1ccc(C)cc1 ZINC000320960475 387817102 /nfs/dbraw/zinc/81/71/02/387817102.db2.gz AIMTVOWLKKVJOU-LBPRGKRZSA-N 0 3 229.323 3.747 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccc(F)cc1F)[C@@H]1C[C@H]1C ZINC000321148761 387951678 /nfs/dbraw/zinc/95/16/78/387951678.db2.gz VZTXAQYDMVIXIE-BSTOTGJRSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccc(F)cc1F)[C@H]1C[C@H]1C ZINC000321148764 387951630 /nfs/dbraw/zinc/95/16/30/387951630.db2.gz VZTXAQYDMVIXIE-COMAGPEQSA-N 0 3 239.309 3.660 20 0 BHADHN Cc1occc1CN[C@H](C)c1ccccc1C ZINC000321173876 179321792 /nfs/dbraw/zinc/32/17/92/179321792.db2.gz CWLCPYQPJFSQNI-GFCCVEGCSA-N 0 3 229.323 3.747 20 0 BHADHN Cc1occc1CN[C@@H](C)c1ccccc1C ZINC000321173877 179338331 /nfs/dbraw/zinc/33/83/31/179338331.db2.gz CWLCPYQPJFSQNI-LBPRGKRZSA-N 0 3 229.323 3.747 20 0 BHADHN Cc1occc1CN[C@H]1CCCc2ccccc21 ZINC000321177683 387956343 /nfs/dbraw/zinc/95/63/43/387956343.db2.gz DKSWQSMWCPGBJC-INIZCTEOSA-N 0 3 241.334 3.755 20 0 BHADHN Cc1occc1CN[C@@H]1CCCc2ccccc21 ZINC000321177686 387957123 /nfs/dbraw/zinc/95/71/23/387957123.db2.gz DKSWQSMWCPGBJC-MRXNPFEDSA-N 0 3 241.334 3.755 20 0 BHADHN CC[C@H](NCc1ccoc1C)c1ccccc1 ZINC000321285355 387085961 /nfs/dbraw/zinc/08/59/61/387085961.db2.gz TXJWOBCXZFOSRU-HNNXBMFYSA-N 0 3 229.323 3.829 20 0 BHADHN CC[C@@H](NCc1ccoc1C)c1ccccc1 ZINC000321285357 357503383 /nfs/dbraw/zinc/50/33/83/357503383.db2.gz TXJWOBCXZFOSRU-OAHLLOKOSA-N 0 3 229.323 3.829 20 0 BHADHN Cc1occc1CN[C@@H](C)c1cccc(C)c1 ZINC000321305534 179196918 /nfs/dbraw/zinc/19/69/18/179196918.db2.gz VZOVSLJVVCGSIM-LBPRGKRZSA-N 0 3 229.323 3.747 20 0 BHADHN Cc1occc1CNC(C)(C)c1ccccc1 ZINC000321328211 262762995 /nfs/dbraw/zinc/76/29/95/262762995.db2.gz YXOAEWXWEDHVRR-UHFFFAOYSA-N 0 3 229.323 3.613 20 0 BHADHN C[C@@H](N[C@@H](C)c1c(F)cccc1F)[C@@H]1C[C@H]1C ZINC000321465981 387229317 /nfs/dbraw/zinc/22/93/17/387229317.db2.gz HJYGMJFLXYNKRH-CHWFTXMASA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@@H](C)c1c(F)cccc1F)[C@H]1C[C@@H]1C ZINC000321465984 387228400 /nfs/dbraw/zinc/22/84/00/387228400.db2.gz HJYGMJFLXYNKRH-VLEAKVRGSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@@H](C)c1c(F)cccc1F)[C@H]1C[C@H]1C ZINC000321465985 387229782 /nfs/dbraw/zinc/22/97/82/387229782.db2.gz HJYGMJFLXYNKRH-ZNSHCXBVSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@@H](C)c1c(F)cccc1F)[C@@H]1C[C@@H]1C ZINC000321465988 387228956 /nfs/dbraw/zinc/22/89/56/387228956.db2.gz HJYGMJFLXYNKRH-ZRUFSTJUSA-N 0 3 239.309 3.660 20 0 BHADHN Cc1occc1CN[C@@H](c1ccccc1)C1CC1 ZINC000321500661 387264857 /nfs/dbraw/zinc/26/48/57/387264857.db2.gz HABQOLKOCRUDMH-INIZCTEOSA-N 0 3 241.334 3.829 20 0 BHADHN Cc1occc1CN[C@H](c1ccccc1)C1CC1 ZINC000321500665 387266448 /nfs/dbraw/zinc/26/64/48/387266448.db2.gz HABQOLKOCRUDMH-MRXNPFEDSA-N 0 3 241.334 3.829 20 0 BHADHN Cc1occc1CNC[C@H]1CCCCC1(F)F ZINC000321505873 387268383 /nfs/dbraw/zinc/26/83/83/387268383.db2.gz MEOBOLDTDCDNQP-GFCCVEGCSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1occc1CNC[C@@H]1CCCCC1(F)F ZINC000321505874 387268034 /nfs/dbraw/zinc/26/80/34/387268034.db2.gz MEOBOLDTDCDNQP-LBPRGKRZSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1occc1CN[C@H](C)c1cccc(C)c1 ZINC000321584004 179181782 /nfs/dbraw/zinc/18/17/82/179181782.db2.gz VZOVSLJVVCGSIM-GFCCVEGCSA-N 0 3 229.323 3.747 20 0 BHADHN Cc1occc1CNCCC1=CCCCC1 ZINC000321599623 387281129 /nfs/dbraw/zinc/28/11/29/387281129.db2.gz XTWAENFLRWMYLV-UHFFFAOYSA-N 0 3 219.328 3.568 20 0 BHADHN Cc1occc1CNCCc1ccc(Cl)cc1 ZINC000321666760 387292079 /nfs/dbraw/zinc/29/20/79/387292079.db2.gz XFAPTQGZZAXVKI-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN CC[C@H](N[C@H](C)c1nc(C)cs1)[C@@H]1C[C@@H]1C ZINC000322211335 388839378 /nfs/dbraw/zinc/83/93/78/388839378.db2.gz UKYATWYBOVTGEP-GMNPVEAJSA-N 0 3 238.400 3.537 20 0 BHADHN CC[C@H](N[C@H](C)c1nc(C)cs1)[C@@H]1C[C@H]1C ZINC000322211336 388838884 /nfs/dbraw/zinc/83/88/84/388838884.db2.gz UKYATWYBOVTGEP-HKWIRBFKSA-N 0 3 238.400 3.537 20 0 BHADHN CC[C@H](N[C@H](C)c1nc(C)cs1)[C@H]1C[C@@H]1C ZINC000322211337 388839497 /nfs/dbraw/zinc/83/94/97/388839497.db2.gz UKYATWYBOVTGEP-IELRGYKMSA-N 0 3 238.400 3.537 20 0 BHADHN CC[C@H](N[C@H](C)c1nc(C)cs1)[C@H]1C[C@H]1C ZINC000322211338 388839188 /nfs/dbraw/zinc/83/91/88/388839188.db2.gz UKYATWYBOVTGEP-YJQGPUDQSA-N 0 3 238.400 3.537 20 0 BHADHN CCC[C@H](N[C@@H](C)c1ncc(C)o1)C1CCC1 ZINC000322371861 388433309 /nfs/dbraw/zinc/43/33/09/388433309.db2.gz JQHQEPSSYVEPPP-AAEUAGOBSA-N 0 3 236.359 3.602 20 0 BHADHN CCC[C@@H](N[C@H](C)c1ncc(C)o1)C1CCC1 ZINC000322371862 388433236 /nfs/dbraw/zinc/43/32/36/388433236.db2.gz JQHQEPSSYVEPPP-DGCLKSJQSA-N 0 3 236.359 3.602 20 0 BHADHN CCC[C@@H](N[C@@H](C)c1ncc(C)o1)C1CCC1 ZINC000322371863 259705666 /nfs/dbraw/zinc/70/56/66/259705666.db2.gz JQHQEPSSYVEPPP-WCQYABFASA-N 0 3 236.359 3.602 20 0 BHADHN CCC[C@H](N[C@H](C)c1ncc(C)o1)C1CCC1 ZINC000322371864 388433653 /nfs/dbraw/zinc/43/36/53/388433653.db2.gz JQHQEPSSYVEPPP-YPMHNXCESA-N 0 3 236.359 3.602 20 0 BHADHN CCC[C@@H](NCc1nc(C)cs1)C1CCC1 ZINC000322388743 388433261 /nfs/dbraw/zinc/43/32/61/388433261.db2.gz NWGLAJRXSOASTR-GFCCVEGCSA-N 0 3 238.400 3.510 20 0 BHADHN CCC[C@H](NCc1nc(C)cs1)C1CCC1 ZINC000322388744 388433107 /nfs/dbraw/zinc/43/31/07/388433107.db2.gz NWGLAJRXSOASTR-LBPRGKRZSA-N 0 3 238.400 3.510 20 0 BHADHN CCC[C@@H](NCc1csc(C)n1)C1CCC1 ZINC000322402174 388434336 /nfs/dbraw/zinc/43/43/36/388434336.db2.gz SLIYLINSNRFLPK-CYBMUJFWSA-N 0 3 238.400 3.510 20 0 BHADHN CCC[C@H](NCc1csc(C)n1)C1CCC1 ZINC000322402175 388434146 /nfs/dbraw/zinc/43/41/46/388434146.db2.gz SLIYLINSNRFLPK-ZDUSSCGKSA-N 0 3 238.400 3.510 20 0 BHADHN CCC[C@@H](NCc1ncc(C)s1)C1CCC1 ZINC000322411957 388434439 /nfs/dbraw/zinc/43/44/39/388434439.db2.gz WJYRFLSRTJFRHP-GFCCVEGCSA-N 0 3 238.400 3.510 20 0 BHADHN CCC[C@H](NCc1ncc(C)s1)C1CCC1 ZINC000322411958 388434306 /nfs/dbraw/zinc/43/43/06/388434306.db2.gz WJYRFLSRTJFRHP-LBPRGKRZSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H](Nc1cccc(CN(C)C)c1)C1CCC1 ZINC000322576397 386728364 /nfs/dbraw/zinc/72/83/64/386728364.db2.gz UAXXBIDKPGKPEP-INIZCTEOSA-N 0 3 246.398 3.739 20 0 BHADHN CC[C@@H](Nc1cccc(CN(C)C)c1)C1CCC1 ZINC000322576398 386728137 /nfs/dbraw/zinc/72/81/37/386728137.db2.gz UAXXBIDKPGKPEP-MRXNPFEDSA-N 0 3 246.398 3.739 20 0 BHADHN CC[C@@H](N[C@H](C)c1cccc(F)c1F)C1CC1 ZINC000323871865 388377799 /nfs/dbraw/zinc/37/77/99/388377799.db2.gz LTNWJABIPWIZHX-NOZJJQNGSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](N[C@H](C)c1cccc(F)c1F)C1CC1 ZINC000323871866 388377654 /nfs/dbraw/zinc/37/76/54/388377654.db2.gz LTNWJABIPWIZHX-RNCFNFMXSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cccc(F)c1F)C1CC1 ZINC000323871867 388376857 /nfs/dbraw/zinc/37/68/57/388376857.db2.gz LTNWJABIPWIZHX-TVQRCGJNSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](N[C@@H](C)c1cccc(F)c1F)C1CC1 ZINC000323871868 326411709 /nfs/dbraw/zinc/41/17/09/326411709.db2.gz LTNWJABIPWIZHX-ZANVPECISA-N 0 3 239.309 3.804 20 0 BHADHN Cc1nc([C@@H](C)N[C@H](C(C)C)C2CC2)cs1 ZINC000324249420 487563997 /nfs/dbraw/zinc/56/39/97/487563997.db2.gz KBHHDUNWSXLPGQ-NOZJJQNGSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H](C(C)C)C2CC2)cs1 ZINC000324249422 487564075 /nfs/dbraw/zinc/56/40/75/487564075.db2.gz KBHHDUNWSXLPGQ-RNCFNFMXSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1nc([C@H](C)N[C@H](C(C)C)C2CC2)cs1 ZINC000324249425 487564474 /nfs/dbraw/zinc/56/44/74/487564474.db2.gz KBHHDUNWSXLPGQ-TVQRCGJNSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1nc([C@H](C)N[C@@H](C(C)C)C2CC2)cs1 ZINC000324249426 487564442 /nfs/dbraw/zinc/56/44/42/487564442.db2.gz KBHHDUNWSXLPGQ-ZANVPECISA-N 0 3 238.400 3.537 20 0 BHADHN CCC(CC)n1ccc(CN[C@@H](CC)C2CC2)n1 ZINC000324395035 487522395 /nfs/dbraw/zinc/52/23/95/487522395.db2.gz BOYDYCWEOULRME-HNNXBMFYSA-N 0 3 249.402 3.522 20 0 BHADHN CCC(CC)n1ccc(CN[C@H](CC)C2CC2)n1 ZINC000324395036 487599917 /nfs/dbraw/zinc/59/99/17/487599917.db2.gz BOYDYCWEOULRME-OAHLLOKOSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H](N[C@H](C)c1nc(C)sc1C)C1CC1 ZINC000324508983 487623626 /nfs/dbraw/zinc/62/36/26/487623626.db2.gz TWBNYNDOKCBHPP-PELKAZGASA-N 0 3 238.400 3.599 20 0 BHADHN CC[C@@H](N[C@H](C)c1nc(C)sc1C)C1CC1 ZINC000324508984 487623756 /nfs/dbraw/zinc/62/37/56/487623756.db2.gz TWBNYNDOKCBHPP-PRHODGIISA-N 0 3 238.400 3.599 20 0 BHADHN CC[C@@H](N[C@@H](C)c1nc(C)sc1C)C1CC1 ZINC000324508985 487623482 /nfs/dbraw/zinc/62/34/82/487623482.db2.gz TWBNYNDOKCBHPP-QPUJVOFHSA-N 0 3 238.400 3.599 20 0 BHADHN CC[C@H](N[C@@H](C)c1nc(C)sc1C)C1CC1 ZINC000324508986 487624072 /nfs/dbraw/zinc/62/40/72/487624072.db2.gz TWBNYNDOKCBHPP-UFBFGSQYSA-N 0 3 238.400 3.599 20 0 BHADHN CCC[C@@H](N[C@@H](C)c1cscn1)C1CCC1 ZINC000324843570 388124680 /nfs/dbraw/zinc/12/46/80/388124680.db2.gz XGPLCFWJQZKSPF-CMPLNLGQSA-N 0 3 238.400 3.763 20 0 BHADHN CCC[C@H](N[C@@H](C)c1cscn1)C1CCC1 ZINC000324843571 388124724 /nfs/dbraw/zinc/12/47/24/388124724.db2.gz XGPLCFWJQZKSPF-JQWIXIFHSA-N 0 3 238.400 3.763 20 0 BHADHN CCC[C@H](N[C@H](C)c1cscn1)C1CCC1 ZINC000324843574 388124814 /nfs/dbraw/zinc/12/48/14/388124814.db2.gz XGPLCFWJQZKSPF-PWSUYJOCSA-N 0 3 238.400 3.763 20 0 BHADHN CCC[C@@H](N[C@H](C)c1cscn1)C1CCC1 ZINC000324843576 388125116 /nfs/dbraw/zinc/12/51/16/388125116.db2.gz XGPLCFWJQZKSPF-ZYHUDNBSSA-N 0 3 238.400 3.763 20 0 BHADHN CCC[C@H](NCc1ccn(C(C)C)n1)C1CCC1 ZINC000324920183 323304154 /nfs/dbraw/zinc/30/41/54/323304154.db2.gz RQDXEZXLCJLBBF-HNNXBMFYSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@@H](NCc1ccn(C(C)C)n1)C1CCC1 ZINC000324920185 323304290 /nfs/dbraw/zinc/30/42/90/323304290.db2.gz RQDXEZXLCJLBBF-OAHLLOKOSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H](NCc1ccc(Cl)o1)C1CCC1 ZINC000324930243 487642659 /nfs/dbraw/zinc/64/26/59/487642659.db2.gz NKLZWGJMSOIDJR-LLVKDONJSA-N 0 3 227.735 3.601 20 0 BHADHN CC[C@H](NCc1ccc(Cl)o1)C1CCC1 ZINC000324930245 487642724 /nfs/dbraw/zinc/64/27/24/487642724.db2.gz NKLZWGJMSOIDJR-NSHDSACASA-N 0 3 227.735 3.601 20 0 BHADHN C[C@H](NCCC(C)(C)C1CC1)c1nccs1 ZINC000328542443 388645097 /nfs/dbraw/zinc/64/50/97/388645097.db2.gz JEYKNBADFGPTBL-JTQLQIEISA-N 0 3 238.400 3.620 20 0 BHADHN C[C@@H](NCCC(C)(C)C1CC1)c1nccs1 ZINC000328542444 388644990 /nfs/dbraw/zinc/64/49/90/388644990.db2.gz JEYKNBADFGPTBL-SNVBAGLBSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NCCC(C)(C)C1CC1)c1cscn1 ZINC000328543286 350402286 /nfs/dbraw/zinc/40/22/86/350402286.db2.gz KFTGWRGSXZLZRV-JTQLQIEISA-N 0 3 238.400 3.620 20 0 BHADHN C[C@@H](NCCC(C)(C)C1CC1)c1cscn1 ZINC000328543287 350402328 /nfs/dbraw/zinc/40/23/28/350402328.db2.gz KFTGWRGSXZLZRV-SNVBAGLBSA-N 0 3 238.400 3.620 20 0 BHADHN Cc1ccoc1CNCCC(C)(C)C1CC1 ZINC000328547375 388645333 /nfs/dbraw/zinc/64/53/33/388645333.db2.gz OVRXCXNYVUOLJF-UHFFFAOYSA-N 0 3 221.344 3.504 20 0 BHADHN C[C@@H](NCCC(C)(C)C1CC1)c1ccco1 ZINC000328568836 388645642 /nfs/dbraw/zinc/64/56/42/388645642.db2.gz PUBBDTPHTVVDIH-LLVKDONJSA-N 0 3 221.344 3.757 20 0 BHADHN C[C@H](NCCC(C)(C)C1CC1)c1ccco1 ZINC000328568837 388645741 /nfs/dbraw/zinc/64/57/41/388645741.db2.gz PUBBDTPHTVVDIH-NSHDSACASA-N 0 3 221.344 3.757 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CCCC(F)(F)C2)o1 ZINC000334219868 352821888 /nfs/dbraw/zinc/82/18/88/352821888.db2.gz GCKJBSCYTVXXSB-GHMZBOCLSA-N 0 3 243.297 3.817 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2CCCC(F)(F)C2)o1 ZINC000334219870 352822046 /nfs/dbraw/zinc/82/20/46/352822046.db2.gz GCKJBSCYTVXXSB-MNOVXSKESA-N 0 3 243.297 3.817 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CCCC(F)(F)C2)o1 ZINC000334219872 352822059 /nfs/dbraw/zinc/82/20/59/352822059.db2.gz GCKJBSCYTVXXSB-QWRGUYRKSA-N 0 3 243.297 3.817 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CCCC(F)(F)C2)o1 ZINC000334219873 352821851 /nfs/dbraw/zinc/82/18/51/352821851.db2.gz GCKJBSCYTVXXSB-WDEREUQCSA-N 0 3 243.297 3.817 20 0 BHADHN Cc1cnc(CN[C@@H]2CCCCC23CCCC3)o1 ZINC000334248564 384409460 /nfs/dbraw/zinc/40/94/60/384409460.db2.gz QHAKFZUBXAPZRV-CYBMUJFWSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1cnc(CN[C@H]2CCCCC23CCCC3)o1 ZINC000334248568 179611709 /nfs/dbraw/zinc/61/17/09/179611709.db2.gz QHAKFZUBXAPZRV-ZDUSSCGKSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1ccc(CN2CCC(C(F)F)CC2)s1 ZINC000334329316 135354989 /nfs/dbraw/zinc/35/49/89/135354989.db2.gz NTXUQXPVWDRRQO-UHFFFAOYSA-N 0 3 245.338 3.534 20 0 BHADHN Cc1csc([C@@H](C)N[C@H]2CC=C(C)CC2)n1 ZINC000334344433 135365439 /nfs/dbraw/zinc/36/54/39/135365439.db2.gz NNPIEDLHMNWPOF-NEPJUHHUSA-N 0 3 236.384 3.601 20 0 BHADHN Cc1csc([C@H](C)N[C@@H]2CC=C(C)CC2)n1 ZINC000334344434 135365394 /nfs/dbraw/zinc/36/53/94/135365394.db2.gz NNPIEDLHMNWPOF-NWDGAFQWSA-N 0 3 236.384 3.601 20 0 BHADHN Cc1csc([C@H](C)N[C@H]2CC=C(C)CC2)n1 ZINC000334344435 135364948 /nfs/dbraw/zinc/36/49/48/135364948.db2.gz NNPIEDLHMNWPOF-RYUDHWBXSA-N 0 3 236.384 3.601 20 0 BHADHN Cc1csc([C@@H](C)N[C@@H]2CC=C(C)CC2)n1 ZINC000334344436 135365259 /nfs/dbraw/zinc/36/52/59/135365259.db2.gz NNPIEDLHMNWPOF-VXGBXAGGSA-N 0 3 236.384 3.601 20 0 BHADHN C[C@@H](NC1CCC2(CC2)CC1)c1ccncc1F ZINC000334479491 386169448 /nfs/dbraw/zinc/16/94/48/386169448.db2.gz SCYAVOWDHAAPDL-LLVKDONJSA-N 0 3 248.345 3.594 20 0 BHADHN C[C@H](NC1CCC2(CC2)CC1)c1ccncc1F ZINC000334479492 386168410 /nfs/dbraw/zinc/16/84/10/386168410.db2.gz SCYAVOWDHAAPDL-NSHDSACASA-N 0 3 248.345 3.594 20 0 BHADHN C[C@@H](N[C@@H]1CCC12CCCC2)c1ccncc1F ZINC000334502957 353347908 /nfs/dbraw/zinc/34/79/08/353347908.db2.gz AZNYIGPHLFRQED-BXUZGUMPSA-N 0 3 248.345 3.594 20 0 BHADHN C[C@H](N[C@H]1CCC12CCCC2)c1ccncc1F ZINC000334502967 133657885 /nfs/dbraw/zinc/65/78/85/133657885.db2.gz AZNYIGPHLFRQED-FZMZJTMJSA-N 0 3 248.345 3.594 20 0 BHADHN C[C@@H](N[C@H]1CCC12CCCC2)c1ccncc1F ZINC000334502969 353348034 /nfs/dbraw/zinc/34/80/34/353348034.db2.gz AZNYIGPHLFRQED-RISCZKNCSA-N 0 3 248.345 3.594 20 0 BHADHN C[C@H](N[C@@H]1CCC12CCCC2)c1ccncc1F ZINC000334502972 353348058 /nfs/dbraw/zinc/34/80/58/353348058.db2.gz AZNYIGPHLFRQED-SMDDNHRTSA-N 0 3 248.345 3.594 20 0 BHADHN Cc1cc([C@@H](C)NC2CC(F)(F)C2)cs1 ZINC000334523024 353890832 /nfs/dbraw/zinc/89/08/32/353890832.db2.gz XIQNGYLFZYOAEU-MRVPVSSYSA-N 0 3 231.311 3.505 20 0 BHADHN Cc1cc([C@H](C)NC2CC(F)(F)C2)cs1 ZINC000334523025 353890964 /nfs/dbraw/zinc/89/09/64/353890964.db2.gz XIQNGYLFZYOAEU-QMMMGPOBSA-N 0 3 231.311 3.505 20 0 BHADHN Cc1ncc(CNC2CCC3(CCCC3)CC2)o1 ZINC000334723887 385263257 /nfs/dbraw/zinc/26/32/57/385263257.db2.gz ISPCQRZWQIBXBH-UHFFFAOYSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1ncc(CN[C@H]2CCCCC23CCCC3)o1 ZINC000334727186 385278611 /nfs/dbraw/zinc/27/86/11/385278611.db2.gz WBNMPCYMYAYQAI-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1ncc(CN[C@@H]2CCCCC23CCCC3)o1 ZINC000334727187 385282433 /nfs/dbraw/zinc/28/24/33/385282433.db2.gz WBNMPCYMYAYQAI-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1ncc(CN[C@H]2CCCC23CCCCC3)o1 ZINC000334781021 135404463 /nfs/dbraw/zinc/40/44/63/135404463.db2.gz UICFMVSNNVPKNJ-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1ncc(CN[C@@H]2CCCC23CCCCC3)o1 ZINC000334781023 384720619 /nfs/dbraw/zinc/72/06/19/384720619.db2.gz UICFMVSNNVPKNJ-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN C[C@H](NC1CCC2(CC2)CC1)c1nccs1 ZINC000334835270 388446800 /nfs/dbraw/zinc/44/68/00/388446800.db2.gz JVXUXFIBCYWFOS-JTQLQIEISA-N 0 3 236.384 3.517 20 0 BHADHN C[C@H](N[C@H]1CCCC12CCC2)c1nccs1 ZINC000334865782 398236563 /nfs/dbraw/zinc/23/65/63/398236563.db2.gz AAALBSXBQDAEND-QWRGUYRKSA-N 0 3 236.384 3.517 20 0 BHADHN C[C@H](N[C@@H]1CCCC12CCC2)c1nccs1 ZINC000334865788 384593192 /nfs/dbraw/zinc/59/31/92/384593192.db2.gz AAALBSXBQDAEND-WDEREUQCSA-N 0 3 236.384 3.517 20 0 BHADHN C[C@H](N[C@H]1CCC12CCCC2)c1cncc(F)c1 ZINC000334870640 386930763 /nfs/dbraw/zinc/93/07/63/386930763.db2.gz BKIFOTPTOAHHPA-FZMZJTMJSA-N 0 3 248.345 3.594 20 0 BHADHN C[C@H](N[C@@H]1CCC12CCCC2)c1cncc(F)c1 ZINC000334870642 386930576 /nfs/dbraw/zinc/93/05/76/386930576.db2.gz BKIFOTPTOAHHPA-SMDDNHRTSA-N 0 3 248.345 3.594 20 0 BHADHN Cc1cnc([C@@H](C)N[C@H]2CC=C(C)CC2)s1 ZINC000334964512 387044679 /nfs/dbraw/zinc/04/46/79/387044679.db2.gz SWXMNVRPJUTRIA-NEPJUHHUSA-N 0 3 236.384 3.601 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H]2CC=C(C)CC2)s1 ZINC000334964828 387044967 /nfs/dbraw/zinc/04/49/67/387044967.db2.gz SWXMNVRPJUTRIA-NWDGAFQWSA-N 0 3 236.384 3.601 20 0 BHADHN Cc1cnc([C@H](C)N[C@H]2CC=C(C)CC2)s1 ZINC000334964829 135851960 /nfs/dbraw/zinc/85/19/60/135851960.db2.gz SWXMNVRPJUTRIA-RYUDHWBXSA-N 0 3 236.384 3.601 20 0 BHADHN Cc1cnc([C@@H](C)N[C@@H]2CC=C(C)CC2)s1 ZINC000334964830 387045638 /nfs/dbraw/zinc/04/56/38/387045638.db2.gz SWXMNVRPJUTRIA-VXGBXAGGSA-N 0 3 236.384 3.601 20 0 BHADHN C[C@@H](N[C@H]1CC12CC2)c1ccc(Cl)s1 ZINC000335277050 384707673 /nfs/dbraw/zinc/70/76/73/384707673.db2.gz GXUYYTCFOPMAGC-APPZFPTMSA-N 0 3 227.760 3.605 20 0 BHADHN C[C@H](N[C@H]1CC12CC2)c1ccc(Cl)s1 ZINC000335277058 384708323 /nfs/dbraw/zinc/70/83/23/384708323.db2.gz GXUYYTCFOPMAGC-CBAPKCEASA-N 0 3 227.760 3.605 20 0 BHADHN C[C@H](N[C@@H]1CC12CC2)c1ccc(Cl)s1 ZINC000335277059 384705958 /nfs/dbraw/zinc/70/59/58/384705958.db2.gz GXUYYTCFOPMAGC-IONNQARKSA-N 0 3 227.760 3.605 20 0 BHADHN C[C@@H](N[C@@H]1CC12CC2)c1ccc(Cl)s1 ZINC000335277061 384706325 /nfs/dbraw/zinc/70/63/25/384706325.db2.gz GXUYYTCFOPMAGC-VXNVDRBHSA-N 0 3 227.760 3.605 20 0 BHADHN C[C@@H](N[C@H]1CC12CC2)c1csc(Cl)c1 ZINC000335278659 386159640 /nfs/dbraw/zinc/15/96/40/386159640.db2.gz LWWNXRFWSGWKPL-APPZFPTMSA-N 0 3 227.760 3.605 20 0 BHADHN C[C@H](N[C@H]1CC12CC2)c1csc(Cl)c1 ZINC000335278660 384712121 /nfs/dbraw/zinc/71/21/21/384712121.db2.gz LWWNXRFWSGWKPL-CBAPKCEASA-N 0 3 227.760 3.605 20 0 BHADHN C[C@H](N[C@@H]1CC12CC2)c1csc(Cl)c1 ZINC000335278661 133823513 /nfs/dbraw/zinc/82/35/13/133823513.db2.gz LWWNXRFWSGWKPL-IONNQARKSA-N 0 3 227.760 3.605 20 0 BHADHN C[C@@H](N[C@@H]1CC12CC2)c1csc(Cl)c1 ZINC000335278662 384711923 /nfs/dbraw/zinc/71/19/23/384711923.db2.gz LWWNXRFWSGWKPL-VXNVDRBHSA-N 0 3 227.760 3.605 20 0 BHADHN Fc1cccc2c1SCC[C@H]2N[C@H]1CC12CC2 ZINC000335279078 384710992 /nfs/dbraw/zinc/71/09/92/384710992.db2.gz PJQCCNDFCVPGSV-NEPJUHHUSA-N 0 3 249.354 3.505 20 0 BHADHN Fc1cccc2c1SCC[C@@H]2N[C@@H]1CC12CC2 ZINC000335279079 384712465 /nfs/dbraw/zinc/71/24/65/384712465.db2.gz PJQCCNDFCVPGSV-NWDGAFQWSA-N 0 3 249.354 3.505 20 0 BHADHN Fc1cccc2c1SCC[C@@H]2N[C@H]1CC12CC2 ZINC000335279080 384710940 /nfs/dbraw/zinc/71/09/40/384710940.db2.gz PJQCCNDFCVPGSV-RYUDHWBXSA-N 0 3 249.354 3.505 20 0 BHADHN Fc1cccc2c1SCC[C@H]2N[C@@H]1CC12CC2 ZINC000335279081 384710451 /nfs/dbraw/zinc/71/04/51/384710451.db2.gz PJQCCNDFCVPGSV-VXGBXAGGSA-N 0 3 249.354 3.505 20 0 BHADHN Fc1ccc2c(c1)[C@@H](N[C@H]1CC13CC3)CCS2 ZINC000335281862 136000303 /nfs/dbraw/zinc/00/03/03/136000303.db2.gz XKUDDSPVDLJGPQ-AAEUAGOBSA-N 0 3 249.354 3.505 20 0 BHADHN Fc1ccc2c(c1)[C@H](N[C@@H]1CC13CC3)CCS2 ZINC000335281863 136000410 /nfs/dbraw/zinc/00/04/10/136000410.db2.gz XKUDDSPVDLJGPQ-DGCLKSJQSA-N 0 3 249.354 3.505 20 0 BHADHN Fc1ccc2c(c1)[C@@H](N[C@@H]1CC13CC3)CCS2 ZINC000335281864 136000065 /nfs/dbraw/zinc/00/00/65/136000065.db2.gz XKUDDSPVDLJGPQ-WCQYABFASA-N 0 3 249.354 3.505 20 0 BHADHN Fc1ccc2c(c1)[C@H](N[C@H]1CC13CC3)CCS2 ZINC000335281865 136000348 /nfs/dbraw/zinc/00/03/48/136000348.db2.gz XKUDDSPVDLJGPQ-YPMHNXCESA-N 0 3 249.354 3.505 20 0 BHADHN Cc1ccsc1CN1CCC(C(F)F)CC1 ZINC000335313253 136031257 /nfs/dbraw/zinc/03/12/57/136031257.db2.gz QNJNLOMZVDQWDG-UHFFFAOYSA-N 0 3 245.338 3.534 20 0 BHADHN Cc1cnc([C@H](C)N2CC[C@@H](C3CCCC3)C2)o1 ZINC000335501520 386630225 /nfs/dbraw/zinc/63/02/25/386630225.db2.gz CNPQRKFOXXYADW-GXTWGEPZSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cnc([C@H](C)N2CC[C@H](C3CCCC3)C2)o1 ZINC000335501521 386630701 /nfs/dbraw/zinc/63/07/01/386630701.db2.gz CNPQRKFOXXYADW-JSGCOSHPSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cnc([C@@H](C)N2CC[C@H](C3CCCC3)C2)o1 ZINC000335501522 386630059 /nfs/dbraw/zinc/63/00/59/386630059.db2.gz CNPQRKFOXXYADW-OCCSQVGLSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cnc([C@@H](C)N2CC[C@@H](C3CCCC3)C2)o1 ZINC000335501523 386630249 /nfs/dbraw/zinc/63/02/49/386630249.db2.gz CNPQRKFOXXYADW-TZMCWYRMSA-N 0 3 248.370 3.556 20 0 BHADHN C[C@@H](NC1CCC(F)(F)CC1)c1ccco1 ZINC000335606446 384380587 /nfs/dbraw/zinc/38/05/87/384380587.db2.gz NFIDYXPZXXABJW-SECBINFHSA-N 0 3 229.270 3.508 20 0 BHADHN C[C@H](NC1CCC(F)(F)CC1)c1ccco1 ZINC000335606449 384381963 /nfs/dbraw/zinc/38/19/63/384381963.db2.gz NFIDYXPZXXABJW-VIFPVBQESA-N 0 3 229.270 3.508 20 0 BHADHN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1ccco1 ZINC000335607834 384386353 /nfs/dbraw/zinc/38/63/53/384386353.db2.gz NDPYTXWFOBQVJT-NXEZZACHSA-N 0 3 229.270 3.508 20 0 BHADHN C[C@H](N[C@H]1CCCC(F)(F)C1)c1ccco1 ZINC000335607835 384386780 /nfs/dbraw/zinc/38/67/80/384386780.db2.gz NDPYTXWFOBQVJT-UWVGGRQHSA-N 0 3 229.270 3.508 20 0 BHADHN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1ccco1 ZINC000335607836 384386504 /nfs/dbraw/zinc/38/65/04/384386504.db2.gz NDPYTXWFOBQVJT-VHSXEESVSA-N 0 3 229.270 3.508 20 0 BHADHN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1ccco1 ZINC000335607837 384387021 /nfs/dbraw/zinc/38/70/21/384387021.db2.gz NDPYTXWFOBQVJT-ZJUUUORDSA-N 0 3 229.270 3.508 20 0 BHADHN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1ccsc1 ZINC000335607854 384385889 /nfs/dbraw/zinc/38/58/89/384385889.db2.gz UCWRKKIGVFPYAT-GXSJLCMTSA-N 0 3 245.338 3.977 20 0 BHADHN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1ccsc1 ZINC000335607856 384386717 /nfs/dbraw/zinc/38/67/17/384386717.db2.gz UCWRKKIGVFPYAT-KOLCDFICSA-N 0 3 245.338 3.977 20 0 BHADHN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1ccsc1 ZINC000335607857 175912362 /nfs/dbraw/zinc/91/23/62/175912362.db2.gz UCWRKKIGVFPYAT-MWLCHTKSSA-N 0 3 245.338 3.977 20 0 BHADHN C[C@H](N[C@H]1CCCC(F)(F)C1)c1ccsc1 ZINC000335607858 384387739 /nfs/dbraw/zinc/38/77/39/384387739.db2.gz UCWRKKIGVFPYAT-ONGXEEELSA-N 0 3 245.338 3.977 20 0 BHADHN C[C@@H](N[C@@H]1CCC12CCCC2)c1cncc(F)c1 ZINC000335753903 355392917 /nfs/dbraw/zinc/39/29/17/355392917.db2.gz BKIFOTPTOAHHPA-BXUZGUMPSA-N 0 3 248.345 3.594 20 0 BHADHN C[C@@H](N[C@H]1CCC12CCCC2)c1cncc(F)c1 ZINC000335753904 355392941 /nfs/dbraw/zinc/39/29/41/355392941.db2.gz BKIFOTPTOAHHPA-RISCZKNCSA-N 0 3 248.345 3.594 20 0 BHADHN Cc1csc(CN[C@@H]2CCCc3occc32)c1 ZINC000335762300 187231433 /nfs/dbraw/zinc/23/14/33/187231433.db2.gz VOXZRILKTGOZJO-CYBMUJFWSA-N 0 3 247.363 3.817 20 0 BHADHN Cc1nc(CN2CCCC23CCCCC3)oc1C ZINC000335798398 355456558 /nfs/dbraw/zinc/45/65/58/355456558.db2.gz SPKZFBDMGHCIEW-UHFFFAOYSA-N 0 3 248.370 3.590 20 0 BHADHN FC1(F)CCC(NCc2ccc(Cl)o2)CC1 ZINC000335918629 384700988 /nfs/dbraw/zinc/70/09/88/384700988.db2.gz SWYDMGMIAYLEOX-UHFFFAOYSA-N 0 3 249.688 3.601 20 0 BHADHN Cc1nc(C(C)C)oc1CN1CCCC12CCC2 ZINC000336124897 134092487 /nfs/dbraw/zinc/09/24/87/134092487.db2.gz GQMLIXQTBUSVRJ-UHFFFAOYSA-N 0 3 248.370 3.625 20 0 BHADHN C[C@H]1c2ccccc2CN1CC1CC(F)(F)C1 ZINC000336199592 134128451 /nfs/dbraw/zinc/12/84/51/134128451.db2.gz MJAXSCDYRNZQEK-JTQLQIEISA-N 0 3 237.293 3.609 20 0 BHADHN C[C@@H]1c2ccccc2CN1CC1CC(F)(F)C1 ZINC000336199593 134128361 /nfs/dbraw/zinc/12/83/61/134128361.db2.gz MJAXSCDYRNZQEK-SNVBAGLBSA-N 0 3 237.293 3.609 20 0 BHADHN Cc1cc(CN2CCC(C(F)F)CC2)cs1 ZINC000336221146 177987058 /nfs/dbraw/zinc/98/70/58/177987058.db2.gz HTGQOMDUWPVJKS-UHFFFAOYSA-N 0 3 245.338 3.534 20 0 BHADHN Cc1sccc1CN1CCC(C(F)F)CC1 ZINC000336322655 387149980 /nfs/dbraw/zinc/14/99/80/387149980.db2.gz XENZCHGQXXXSJZ-UHFFFAOYSA-N 0 3 245.338 3.534 20 0 BHADHN Cc1cnc([C@@H](C)N2CCC3(C2)CCCCC3)o1 ZINC000336352336 385148520 /nfs/dbraw/zinc/14/85/20/385148520.db2.gz ITODSKPXZZMNMT-CYBMUJFWSA-N 0 3 248.370 3.700 20 0 BHADHN Cc1cnc([C@H](C)N2CCC3(C2)CCCCC3)o1 ZINC000336352338 385148292 /nfs/dbraw/zinc/14/82/92/385148292.db2.gz ITODSKPXZZMNMT-ZDUSSCGKSA-N 0 3 248.370 3.700 20 0 BHADHN C[C@@H](NC1CCC2(CC2)CC1)c1nccs1 ZINC000336607738 397951788 /nfs/dbraw/zinc/95/17/88/397951788.db2.gz JVXUXFIBCYWFOS-SNVBAGLBSA-N 0 3 236.384 3.517 20 0 BHADHN C[C@H](NC1CCC2(CC2)CC1)c1cscn1 ZINC000336607798 397951660 /nfs/dbraw/zinc/95/16/60/397951660.db2.gz WPZFWALGUWOGRU-JTQLQIEISA-N 0 3 236.384 3.517 20 0 BHADHN C[C@@H](NC1CCC2(CC2)CC1)c1cscn1 ZINC000336607799 397951598 /nfs/dbraw/zinc/95/15/98/397951598.db2.gz WPZFWALGUWOGRU-SNVBAGLBSA-N 0 3 236.384 3.517 20 0 BHADHN CCCNCc1csc(Cl)c1Cl ZINC000336634773 169269761 /nfs/dbraw/zinc/26/97/61/169269761.db2.gz QUMYTAVPAPSUIV-UHFFFAOYSA-N 0 3 224.156 3.555 20 0 BHADHN C[C@@H]1C[C@H](NC2CCC2)c2ccsc2S1 ZINC000336643329 386247869 /nfs/dbraw/zinc/24/78/69/386247869.db2.gz CBULLXOCNRBKDM-KCJUWKMLSA-N 0 3 239.409 3.816 20 0 BHADHN C[C@@H]1C[C@@H](NC2CCC2)c2ccsc2S1 ZINC000336643332 386248250 /nfs/dbraw/zinc/24/82/50/386248250.db2.gz CBULLXOCNRBKDM-LDYMZIIASA-N 0 3 239.409 3.816 20 0 BHADHN Cc1cc(CNCc2cccc(C)c2)cs1 ZINC000336643489 179096008 /nfs/dbraw/zinc/09/60/08/179096008.db2.gz AWKMHLRBESHGMZ-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1sccc1CNCc1cccc(C)c1 ZINC000336645757 179094954 /nfs/dbraw/zinc/09/49/54/179094954.db2.gz DELRZNNDJBLEEK-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN CCSCCN(Cc1cccs1)C(C)C ZINC000336645808 386254295 /nfs/dbraw/zinc/25/42/95/386254295.db2.gz JADQJGOYCMLWGK-UHFFFAOYSA-N 0 3 243.441 3.712 20 0 BHADHN CC1(C)CC[C@@H]1N[C@H]1CSc2ccccc21 ZINC000336647937 350565754 /nfs/dbraw/zinc/56/57/54/350565754.db2.gz FXXCSCOHAFXILC-AAEUAGOBSA-N 0 3 233.380 3.612 20 0 BHADHN CC1(C)CC[C@H]1N[C@@H]1CSc2ccccc21 ZINC000336647947 188256251 /nfs/dbraw/zinc/25/62/51/188256251.db2.gz FXXCSCOHAFXILC-DGCLKSJQSA-N 0 3 233.380 3.612 20 0 BHADHN CC1(C)CC[C@H]1N[C@H]1CSc2ccccc21 ZINC000336647948 386682763 /nfs/dbraw/zinc/68/27/63/386682763.db2.gz FXXCSCOHAFXILC-WCQYABFASA-N 0 3 233.380 3.612 20 0 BHADHN CC1(C)CC[C@@H]1N[C@@H]1CSc2ccccc21 ZINC000336647950 350565481 /nfs/dbraw/zinc/56/54/81/350565481.db2.gz FXXCSCOHAFXILC-YPMHNXCESA-N 0 3 233.380 3.612 20 0 BHADHN CC[C@H](CSC)NCc1ccsc1Cl ZINC000336648068 384573803 /nfs/dbraw/zinc/57/38/03/384573803.db2.gz GGFCXRLXPRCDGR-SECBINFHSA-N 0 3 249.832 3.633 20 0 BHADHN CC[C@@H](CSC)NCc1ccsc1Cl ZINC000336648092 386679570 /nfs/dbraw/zinc/67/95/70/386679570.db2.gz GGFCXRLXPRCDGR-VIFPVBQESA-N 0 3 249.832 3.633 20 0 BHADHN Cc1csc(C(C)(C)NCCCC(C)C)n1 ZINC000336648370 386695329 /nfs/dbraw/zinc/69/53/29/386695329.db2.gz COBVLYFGFBQJIO-UHFFFAOYSA-N 0 3 240.416 3.712 20 0 BHADHN Cc1sc(CN[C@@H](C)C(C)C)nc1C(C)C ZINC000336651534 385627157 /nfs/dbraw/zinc/62/71/57/385627157.db2.gz FGVPABBXKHJVQS-JTQLQIEISA-N 0 3 240.416 3.709 20 0 BHADHN Cc1sc(CN[C@H](C)C(C)C)nc1C(C)C ZINC000336651543 385627080 /nfs/dbraw/zinc/62/70/80/385627080.db2.gz FGVPABBXKHJVQS-SNVBAGLBSA-N 0 3 240.416 3.709 20 0 BHADHN CC1(CCNCc2ccsc2Cl)CC1 ZINC000336651587 168019792 /nfs/dbraw/zinc/01/97/92/168019792.db2.gz JWALJRDRWYCCPJ-UHFFFAOYSA-N 0 3 229.776 3.681 20 0 BHADHN CC(C)(CF)NCc1csc2ccccc12 ZINC000336653550 385683789 /nfs/dbraw/zinc/68/37/89/385683789.db2.gz GCTWBPYRVXYFBK-UHFFFAOYSA-N 0 3 237.343 3.739 20 0 BHADHN CCN(Cc1sc(C)nc1C)CC(C)(C)C ZINC000336653976 350420786 /nfs/dbraw/zinc/42/07/86/350420786.db2.gz JTDXNJOJQFSRJS-UHFFFAOYSA-N 0 3 240.416 3.628 20 0 BHADHN CSCCCCNCc1ccsc1Cl ZINC000336654136 385721255 /nfs/dbraw/zinc/72/12/55/385721255.db2.gz MHIPUZYVCBHYPQ-UHFFFAOYSA-N 0 3 249.832 3.634 20 0 BHADHN CCC1(NCc2ccsc2Cl)CCC1 ZINC000336655933 385776443 /nfs/dbraw/zinc/77/64/43/385776443.db2.gz OAOQYTNWRFDLCD-UHFFFAOYSA-N 0 3 229.776 3.824 20 0 BHADHN CC(C)SCCN(C)[C@H](C)c1cccs1 ZINC000336656975 167323066 /nfs/dbraw/zinc/32/30/66/167323066.db2.gz AODFYFJYNFGEBA-LLVKDONJSA-N 0 3 243.441 3.883 20 0 BHADHN CC(C)SCCN(C)[C@@H](C)c1cccs1 ZINC000336656980 167323315 /nfs/dbraw/zinc/32/33/15/167323315.db2.gz AODFYFJYNFGEBA-NSHDSACASA-N 0 3 243.441 3.883 20 0 BHADHN CCCN(Cc1nc(C)sc1C)CC(C)C ZINC000336659130 169181917 /nfs/dbraw/zinc/18/19/17/169181917.db2.gz MTNCHJFWOZNKDS-UHFFFAOYSA-N 0 3 240.416 3.628 20 0 BHADHN CCc1cnc(CNC(C)(C)C(C)(C)C)s1 ZINC000336659950 171913509 /nfs/dbraw/zinc/91/35/09/171913509.db2.gz AXFOTKQWSSXXME-UHFFFAOYSA-N 0 3 240.416 3.620 20 0 BHADHN Cc1ncc(CN(C)C2CCCCCC2)s1 ZINC000336662865 180137046 /nfs/dbraw/zinc/13/70/46/180137046.db2.gz CWORNHIXDWITRM-UHFFFAOYSA-N 0 3 238.400 3.606 20 0 BHADHN CC(C)SCCN1Cc2ccccc2[C@H]1C ZINC000336662925 167329371 /nfs/dbraw/zinc/32/93/71/167329371.db2.gz ACUJUCXRGNWRQI-GFCCVEGCSA-N 0 3 235.396 3.705 20 0 BHADHN CC(C)SCCN1Cc2ccccc2[C@@H]1C ZINC000336662964 167328936 /nfs/dbraw/zinc/32/89/36/167328936.db2.gz ACUJUCXRGNWRQI-LBPRGKRZSA-N 0 3 235.396 3.705 20 0 BHADHN CC(C)SCCN1CC[C@H]1c1ccccc1 ZINC000336663469 167325921 /nfs/dbraw/zinc/32/59/21/167325921.db2.gz CQSBWJYPHNJDNX-AWEZNQCLSA-N 0 3 235.396 3.575 20 0 BHADHN CC(C)SCCN1CC[C@@H]1c1ccccc1 ZINC000336663478 167327099 /nfs/dbraw/zinc/32/70/99/167327099.db2.gz CQSBWJYPHNJDNX-CQSZACIVSA-N 0 3 235.396 3.575 20 0 BHADHN CCCN(Cc1nc(C)c(C)s1)CC(C)C ZINC000336665378 169181452 /nfs/dbraw/zinc/18/14/52/169181452.db2.gz PMFXSQVXNDZQRQ-UHFFFAOYSA-N 0 3 240.416 3.628 20 0 BHADHN CC(C)SCCNCc1ccc(Cl)cc1 ZINC000336665482 167330346 /nfs/dbraw/zinc/33/03/46/167330346.db2.gz DITWCXXUDLKDIV-UHFFFAOYSA-N 0 3 243.803 3.571 20 0 BHADHN CC(C)SCCN(Cc1ccco1)C(C)C ZINC000336666852 167323478 /nfs/dbraw/zinc/32/34/78/167323478.db2.gz MGXWFMWJEMQHIT-UHFFFAOYSA-N 0 3 241.400 3.632 20 0 BHADHN Cc1ccccc1CN(C)CCSC(C)C ZINC000336666951 179270365 /nfs/dbraw/zinc/27/03/65/179270365.db2.gz NYTXPVMAAOOYLN-UHFFFAOYSA-N 0 3 237.412 3.568 20 0 BHADHN C[C@H](c1ccco1)N(CCC1CC1)C1CC1 ZINC000336667642 177047278 /nfs/dbraw/zinc/04/72/78/177047278.db2.gz MLVHQVOXDMMNPS-LLVKDONJSA-N 0 3 219.328 3.605 20 0 BHADHN C[C@@H](c1ccco1)N(CCC1CC1)C1CC1 ZINC000336667644 176031137 /nfs/dbraw/zinc/03/11/37/176031137.db2.gz MLVHQVOXDMMNPS-NSHDSACASA-N 0 3 219.328 3.605 20 0 BHADHN COc1ccc(Cl)cc1[C@@H](C)NC1CCC1 ZINC000336668760 175121768 /nfs/dbraw/zinc/12/17/68/175121768.db2.gz GHDLQAZSUAJETF-SECBINFHSA-N 0 3 239.746 3.552 20 0 BHADHN COc1ccc(Cl)cc1[C@H](C)NC1CCC1 ZINC000336668762 175122838 /nfs/dbraw/zinc/12/28/38/175122838.db2.gz GHDLQAZSUAJETF-VIFPVBQESA-N 0 3 239.746 3.552 20 0 BHADHN CC1(C)C[C@@H]1CNCc1ccsc1Cl ZINC000336669355 350865080 /nfs/dbraw/zinc/86/50/80/350865080.db2.gz XSBRDDZVNHWDCG-SECBINFHSA-N 0 3 229.776 3.537 20 0 BHADHN CC1(C)C[C@H]1CNCc1ccsc1Cl ZINC000336669356 386800148 /nfs/dbraw/zinc/80/01/48/386800148.db2.gz XSBRDDZVNHWDCG-VIFPVBQESA-N 0 3 229.776 3.537 20 0 BHADHN FC(F)(F)C1(CNCc2cccs2)CCC1 ZINC000336669504 388461438 /nfs/dbraw/zinc/46/14/38/388461438.db2.gz HGCDBFKMCGPNSY-UHFFFAOYSA-N 0 3 249.301 3.570 20 0 BHADHN CC(C)C[C@@H](NCCF)c1ccc(Cl)cc1 ZINC000336669721 384798980 /nfs/dbraw/zinc/79/89/80/384798980.db2.gz MXRHYKBVCTUKPF-CYBMUJFWSA-N 0 3 243.753 3.986 20 0 BHADHN CC(C)C[C@H](NCCF)c1ccc(Cl)cc1 ZINC000336669731 187306235 /nfs/dbraw/zinc/30/62/35/187306235.db2.gz MXRHYKBVCTUKPF-ZDUSSCGKSA-N 0 3 243.753 3.986 20 0 BHADHN Cc1nc(C)c([C@H](C)N(C)CCC2CC2)s1 ZINC000336670850 386315067 /nfs/dbraw/zinc/31/50/67/386315067.db2.gz YBGJQEDUTBGURJ-JTQLQIEISA-N 0 3 238.400 3.553 20 0 BHADHN Cc1nc(C)c([C@@H](C)N(C)CCC2CC2)s1 ZINC000336670851 386315932 /nfs/dbraw/zinc/31/59/32/386315932.db2.gz YBGJQEDUTBGURJ-SNVBAGLBSA-N 0 3 238.400 3.553 20 0 BHADHN CCN(Cc1nc(C)sc1C)[C@@H](C)C(C)C ZINC000336671146 350435243 /nfs/dbraw/zinc/43/52/43/350435243.db2.gz JCOLTFSEBWIKHT-JTQLQIEISA-N 0 3 240.416 3.626 20 0 BHADHN CCN(Cc1nc(C)sc1C)[C@H](C)C(C)C ZINC000336671147 350435032 /nfs/dbraw/zinc/43/50/32/350435032.db2.gz JCOLTFSEBWIKHT-SNVBAGLBSA-N 0 3 240.416 3.626 20 0 BHADHN CC(C)SCCNCc1ccccc1Cl ZINC000336673796 167329892 /nfs/dbraw/zinc/32/98/92/167329892.db2.gz GTJWVAPEJVRJOU-UHFFFAOYSA-N 0 3 243.803 3.571 20 0 BHADHN CC(C)(NCc1ccsc1)c1cccs1 ZINC000336673989 187393754 /nfs/dbraw/zinc/39/37/54/187393754.db2.gz ACDNFNLAZSJDNF-UHFFFAOYSA-N 0 3 237.393 3.835 20 0 BHADHN CCSCCCN[C@H](C)c1ccc(CC)o1 ZINC000336676044 385602070 /nfs/dbraw/zinc/60/20/70/385602070.db2.gz BHFUAALCJSUFNU-LLVKDONJSA-N 0 3 241.400 3.636 20 0 BHADHN CCSCCCN[C@@H](C)c1ccc(CC)o1 ZINC000336676722 385604983 /nfs/dbraw/zinc/60/49/83/385604983.db2.gz BHFUAALCJSUFNU-NSHDSACASA-N 0 3 241.400 3.636 20 0 BHADHN CCN(Cc1nc(C)c(C)s1)CC(C)(C)C ZINC000336677237 350438710 /nfs/dbraw/zinc/43/87/10/350438710.db2.gz WBIDEQPTFZEJNC-UHFFFAOYSA-N 0 3 240.416 3.628 20 0 BHADHN CC[C@@H](CC(F)(F)F)N[C@H](C)c1ccco1 ZINC000336678104 385616386 /nfs/dbraw/zinc/61/63/86/385616386.db2.gz CFUUNUJOPWICGA-BDAKNGLRSA-N 0 3 235.249 3.661 20 0 BHADHN CC[C@H](CC(F)(F)F)N[C@@H](C)c1ccco1 ZINC000336678107 385616366 /nfs/dbraw/zinc/61/63/66/385616366.db2.gz CFUUNUJOPWICGA-DTWKUNHWSA-N 0 3 235.249 3.661 20 0 BHADHN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1ccco1 ZINC000336678108 385615517 /nfs/dbraw/zinc/61/55/17/385615517.db2.gz CFUUNUJOPWICGA-IUCAKERBSA-N 0 3 235.249 3.661 20 0 BHADHN CC[C@H](CC(F)(F)F)N[C@H](C)c1ccco1 ZINC000336678109 385615764 /nfs/dbraw/zinc/61/57/64/385615764.db2.gz CFUUNUJOPWICGA-RKDXNWHRSA-N 0 3 235.249 3.661 20 0 BHADHN CC1(CNCc2cscc2C(F)(F)F)CC1 ZINC000336678663 168043021 /nfs/dbraw/zinc/04/30/21/168043021.db2.gz BYDUPEMXWSEPPF-UHFFFAOYSA-N 0 3 249.301 3.657 20 0 BHADHN Cc1ccc(CNCc2ccsc2C)s1 ZINC000336678793 385616893 /nfs/dbraw/zinc/61/68/93/385616893.db2.gz IJGYGXTWOZRFMK-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN CC1CCC(C)(CNCc2ccco2)CC1 ZINC000336679462 168150319 /nfs/dbraw/zinc/15/03/19/168150319.db2.gz AKGDFJJNCYTUSA-UHFFFAOYSA-N 0 3 221.344 3.586 20 0 BHADHN CC[C@@H](NCCC(F)(F)F)c1cccc(C)c1 ZINC000336680815 170892702 /nfs/dbraw/zinc/89/27/02/170892702.db2.gz BIBXEDZLOAUTSI-GFCCVEGCSA-N 0 3 245.288 3.988 20 0 BHADHN CC[C@H](NCCC(F)(F)F)c1cccc(C)c1 ZINC000336680857 385635305 /nfs/dbraw/zinc/63/53/05/385635305.db2.gz BIBXEDZLOAUTSI-LBPRGKRZSA-N 0 3 245.288 3.988 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCC2(C)C)c(C)o1 ZINC000336681305 178258249 /nfs/dbraw/zinc/25/82/49/178258249.db2.gz YCWXHYPJJMPHGF-GWCFXTLKSA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC2(C)C)c(C)o1 ZINC000336681316 178253074 /nfs/dbraw/zinc/25/30/74/178253074.db2.gz YCWXHYPJJMPHGF-GXFFZTMASA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CCC2(C)C)c(C)o1 ZINC000336681317 178232450 /nfs/dbraw/zinc/23/24/50/178232450.db2.gz YCWXHYPJJMPHGF-MFKMUULPSA-N 0 3 221.344 3.736 20 0 BHADHN CCC1(C)CCC(NCc2ccco2)CC1 ZINC000336681710 385634811 /nfs/dbraw/zinc/63/48/11/385634811.db2.gz CZPONBSIGAIMBV-UHFFFAOYSA-N 0 3 221.344 3.728 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CCC2(C)C)c(C)o1 ZINC000336681797 178231600 /nfs/dbraw/zinc/23/16/00/178231600.db2.gz YCWXHYPJJMPHGF-ZWNOBZJWSA-N 0 3 221.344 3.736 20 0 BHADHN CCC[C@H](N[C@@H](C)COCC)c1ccsc1 ZINC000336682028 385638529 /nfs/dbraw/zinc/63/85/29/385638529.db2.gz DESOYHHBRVBSRX-AAEUAGOBSA-N 0 3 241.400 3.604 20 0 BHADHN CCC[C@@H](N[C@H](C)COCC)c1ccsc1 ZINC000336682039 385639658 /nfs/dbraw/zinc/63/96/58/385639658.db2.gz DESOYHHBRVBSRX-DGCLKSJQSA-N 0 3 241.400 3.604 20 0 BHADHN CCC[C@@H](N[C@@H](C)COCC)c1ccsc1 ZINC000336682040 385639560 /nfs/dbraw/zinc/63/95/60/385639560.db2.gz DESOYHHBRVBSRX-WCQYABFASA-N 0 3 241.400 3.604 20 0 BHADHN CCC[C@H](N[C@H](C)COCC)c1ccsc1 ZINC000336682041 385638611 /nfs/dbraw/zinc/63/86/11/385638611.db2.gz DESOYHHBRVBSRX-YPMHNXCESA-N 0 3 241.400 3.604 20 0 BHADHN Cc1nc(CN(CC(C)C)C(C)C)c(C)s1 ZINC000336682275 386339748 /nfs/dbraw/zinc/33/97/48/386339748.db2.gz RFRYZZDKZBLMPF-UHFFFAOYSA-N 0 3 240.416 3.626 20 0 BHADHN C[C@H](CC1CC1)NCc1ccsc1Cl ZINC000336682881 385645652 /nfs/dbraw/zinc/64/56/52/385645652.db2.gz IRWSIWQTEAFXFR-MRVPVSSYSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@@H](CC1CC1)NCc1ccsc1Cl ZINC000336682882 175656782 /nfs/dbraw/zinc/65/67/82/175656782.db2.gz IRWSIWQTEAFXFR-QMMMGPOBSA-N 0 3 229.776 3.680 20 0 BHADHN c1csc(CNCCC2CCCCCC2)n1 ZINC000336683679 385668613 /nfs/dbraw/zinc/66/86/13/385668613.db2.gz SKQSJSXJSHSRPH-UHFFFAOYSA-N 0 3 238.400 3.593 20 0 BHADHN CC(C)SCCNCc1sccc1Cl ZINC000336684995 167331803 /nfs/dbraw/zinc/33/18/03/167331803.db2.gz KCCJNXMVWMXMFK-UHFFFAOYSA-N 0 3 249.832 3.633 20 0 BHADHN Cc1nc(CNCC(C)(C)C(C)(C)C)cs1 ZINC000336685916 385697628 /nfs/dbraw/zinc/69/76/28/385697628.db2.gz SSQGPHNPBSFIJT-UHFFFAOYSA-N 0 3 240.416 3.613 20 0 BHADHN Cc1nc(CNC[C@@H](C)CC(C)C)sc1C ZINC000336687371 385152989 /nfs/dbraw/zinc/15/29/89/385152989.db2.gz VDCCDDAQCDPJMC-JTQLQIEISA-N 0 3 240.416 3.532 20 0 BHADHN Cc1nc(CNC[C@H](C)CC(C)C)sc1C ZINC000336687374 398190249 /nfs/dbraw/zinc/19/02/49/398190249.db2.gz VDCCDDAQCDPJMC-SNVBAGLBSA-N 0 3 240.416 3.532 20 0 BHADHN c1csc(CNCCCC2CCCCC2)n1 ZINC000336687383 388462573 /nfs/dbraw/zinc/46/25/73/388462573.db2.gz VEPZMJISMQGNKR-UHFFFAOYSA-N 0 3 238.400 3.593 20 0 BHADHN CC1(C)C[C@@H]1CNCc1sccc1Cl ZINC000336688039 167986217 /nfs/dbraw/zinc/98/62/17/167986217.db2.gz NDBQNUJNFOJROS-MRVPVSSYSA-N 0 3 229.776 3.537 20 0 BHADHN CC1(C)C[C@H]1CNCc1sccc1Cl ZINC000336688041 192069426 /nfs/dbraw/zinc/06/94/26/192069426.db2.gz NDBQNUJNFOJROS-QMMMGPOBSA-N 0 3 229.776 3.537 20 0 BHADHN CC(C)SCCNCc1ccsc1Cl ZINC000336688895 167331958 /nfs/dbraw/zinc/33/19/58/167331958.db2.gz NUXQSRAVNAWZCM-UHFFFAOYSA-N 0 3 249.832 3.633 20 0 BHADHN CC[C@H](C)CN(CC)Cc1nc(C)sc1C ZINC000336689677 171278282 /nfs/dbraw/zinc/27/82/82/171278282.db2.gz ZWARMXTZQAHOIE-JTQLQIEISA-N 0 3 240.416 3.628 20 0 BHADHN CC[C@@H](C)CN(CC)Cc1nc(C)sc1C ZINC000336689858 386354430 /nfs/dbraw/zinc/35/44/30/386354430.db2.gz ZWARMXTZQAHOIE-SNVBAGLBSA-N 0 3 240.416 3.628 20 0 BHADHN Cc1nc(CN(C)C2CCCCC2)c(C)s1 ZINC000336690262 386371008 /nfs/dbraw/zinc/37/10/08/386371008.db2.gz APZUCQSWXQBTLY-UHFFFAOYSA-N 0 3 238.400 3.524 20 0 BHADHN CCSCCCNCc1sccc1Cl ZINC000336691152 385727644 /nfs/dbraw/zinc/72/76/44/385727644.db2.gz PFOXMPVGXHGYRR-UHFFFAOYSA-N 0 3 249.832 3.634 20 0 BHADHN CC[C@@H]1CCCCN1Cc1nc(C)sc1C ZINC000336691472 350448026 /nfs/dbraw/zinc/44/80/26/350448026.db2.gz BLFBEEFWUSVKGM-GFCCVEGCSA-N 0 3 238.400 3.524 20 0 BHADHN CC[C@H]1CCCCN1Cc1nc(C)sc1C ZINC000336691475 386360560 /nfs/dbraw/zinc/36/05/60/386360560.db2.gz BLFBEEFWUSVKGM-LBPRGKRZSA-N 0 3 238.400 3.524 20 0 BHADHN C[C@@H](c1ccccc1)N(C)C[C@H]1CCC(C)(C)O1 ZINC000336692296 176020352 /nfs/dbraw/zinc/02/03/52/176020352.db2.gz DPAFKXBWGBELQQ-DZGCQCFKSA-N 0 3 247.382 3.637 20 0 BHADHN C[C@H](c1ccccc1)N(C)C[C@@H]1CCC(C)(C)O1 ZINC000336692359 177039178 /nfs/dbraw/zinc/03/91/78/177039178.db2.gz DPAFKXBWGBELQQ-HIFRSBDPSA-N 0 3 247.382 3.637 20 0 BHADHN C[C@H](c1ccccc1)N(C)C[C@H]1CCC(C)(C)O1 ZINC000336692361 177039447 /nfs/dbraw/zinc/03/94/47/177039447.db2.gz DPAFKXBWGBELQQ-UKRRQHHQSA-N 0 3 247.382 3.637 20 0 BHADHN C[C@@H](c1ccccc1)N(C)C[C@@H]1CCC(C)(C)O1 ZINC000336692364 176020477 /nfs/dbraw/zinc/02/04/77/176020477.db2.gz DPAFKXBWGBELQQ-ZFWWWQNUSA-N 0 3 247.382 3.637 20 0 BHADHN C[C@H]1c2ccccc2CN1C[C@H]1CCC(C)(C)O1 ZINC000336693352 386365428 /nfs/dbraw/zinc/36/54/28/386365428.db2.gz JFHKHUVGHKAHGO-GXTWGEPZSA-N 0 3 245.366 3.521 20 0 BHADHN C[C@H]1c2ccccc2CN1C[C@@H]1CCC(C)(C)O1 ZINC000336693366 386366964 /nfs/dbraw/zinc/36/69/64/386366964.db2.gz JFHKHUVGHKAHGO-JSGCOSHPSA-N 0 3 245.366 3.521 20 0 BHADHN C[C@@H]1c2ccccc2CN1C[C@@H]1CCC(C)(C)O1 ZINC000336693370 386366335 /nfs/dbraw/zinc/36/63/35/386366335.db2.gz JFHKHUVGHKAHGO-OCCSQVGLSA-N 0 3 245.366 3.521 20 0 BHADHN C[C@@H]1c2ccccc2CN1C[C@H]1CCC(C)(C)O1 ZINC000336693372 386365609 /nfs/dbraw/zinc/36/56/09/386365609.db2.gz JFHKHUVGHKAHGO-TZMCWYRMSA-N 0 3 245.366 3.521 20 0 BHADHN CC(C)SCCNCc1coc2ccccc12 ZINC000336693870 167332793 /nfs/dbraw/zinc/33/27/93/167332793.db2.gz ICXAOEYKMULBRA-UHFFFAOYSA-N 0 3 249.379 3.664 20 0 BHADHN FC1(CCNCc2ccccc2Cl)CCC1 ZINC000336693923 388463849 /nfs/dbraw/zinc/46/38/49/388463849.db2.gz YGAOGCINPQCVCP-UHFFFAOYSA-N 0 3 241.737 3.712 20 0 BHADHN CCN(Cc1nc(C)sc1C)C1CCCC1 ZINC000336696881 350451990 /nfs/dbraw/zinc/45/19/90/350451990.db2.gz HNEBKDKIVOEKSA-UHFFFAOYSA-N 0 3 238.400 3.524 20 0 BHADHN FCCN[C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000336696953 180934079 /nfs/dbraw/zinc/93/40/79/180934079.db2.gz MDNDFGGLZSHATA-CYBMUJFWSA-N 0 3 241.737 3.740 20 0 BHADHN FCCN[C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000336696954 398197970 /nfs/dbraw/zinc/19/79/70/398197970.db2.gz MDNDFGGLZSHATA-ZDUSSCGKSA-N 0 3 241.737 3.740 20 0 BHADHN Cc1ccoc1CN[C@@H](C)CCCC(F)(F)F ZINC000336697880 388464313 /nfs/dbraw/zinc/46/43/13/388464313.db2.gz JAIMTISZTDETAW-JTQLQIEISA-N 0 3 249.276 3.799 20 0 BHADHN Cc1ccoc1CN[C@H](C)CCCC(F)(F)F ZINC000336697911 385755260 /nfs/dbraw/zinc/75/52/60/385755260.db2.gz JAIMTISZTDETAW-SNVBAGLBSA-N 0 3 249.276 3.799 20 0 BHADHN CSCCCCN[C@H](C)c1cc(C)c(C)o1 ZINC000336700303 398240016 /nfs/dbraw/zinc/24/00/16/398240016.db2.gz NKQBCQGLPNJNPH-LLVKDONJSA-N 0 3 241.400 3.690 20 0 BHADHN CSCCCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000336700310 398240089 /nfs/dbraw/zinc/24/00/89/398240089.db2.gz NKQBCQGLPNJNPH-NSHDSACASA-N 0 3 241.400 3.690 20 0 BHADHN CCCCN(Cc1sc(C)nc1C)C1CC1 ZINC000336700850 386400989 /nfs/dbraw/zinc/40/09/89/386400989.db2.gz LJSVTOIPTRBHNN-UHFFFAOYSA-N 0 3 238.400 3.524 20 0 BHADHN CSc1cccc(F)c1CN[C@@H](C)C(C)C ZINC000336704200 385782664 /nfs/dbraw/zinc/78/26/64/385782664.db2.gz OYFMVSOCXCLVLN-JTQLQIEISA-N 0 3 241.375 3.682 20 0 BHADHN CSc1cccc(F)c1CN[C@H](C)C(C)C ZINC000336704204 385783074 /nfs/dbraw/zinc/78/30/74/385783074.db2.gz OYFMVSOCXCLVLN-SNVBAGLBSA-N 0 3 241.375 3.682 20 0 BHADHN Cc1nc(CN2CCCCC[C@@H]2C)c(C)s1 ZINC000336704369 386392286 /nfs/dbraw/zinc/39/22/86/386392286.db2.gz UYFJAJGJAPEMOV-JTQLQIEISA-N 0 3 238.400 3.524 20 0 BHADHN Cc1nc(CN2CCCCC[C@H]2C)c(C)s1 ZINC000336704370 386392793 /nfs/dbraw/zinc/39/27/93/386392793.db2.gz UYFJAJGJAPEMOV-SNVBAGLBSA-N 0 3 238.400 3.524 20 0 BHADHN Cc1nc(CN2[C@H](C)CCC[C@@H]2C)c(C)s1 ZINC000336708503 386416027 /nfs/dbraw/zinc/41/60/27/386416027.db2.gz UWAMUBXJVTWORR-AOOOYVTPSA-N 0 3 238.400 3.523 20 0 BHADHN Cc1nc(CN2[C@H](C)CCC[C@H]2C)c(C)s1 ZINC000336708506 386413589 /nfs/dbraw/zinc/41/35/89/386413589.db2.gz UWAMUBXJVTWORR-NXEZZACHSA-N 0 3 238.400 3.523 20 0 BHADHN Cc1nc(CN2[C@@H](C)CCC[C@@H]2C)c(C)s1 ZINC000336708508 386415109 /nfs/dbraw/zinc/41/51/09/386415109.db2.gz UWAMUBXJVTWORR-UWVGGRQHSA-N 0 3 238.400 3.523 20 0 BHADHN Cc1ccc(CN(C)CCSC(C)C)s1 ZINC000336708933 386419239 /nfs/dbraw/zinc/41/92/39/386419239.db2.gz SOEBAUAQANLDDJ-UHFFFAOYSA-N 0 3 243.441 3.630 20 0 BHADHN Cc1nc(CN(C(C)C)C2CCC2)sc1C ZINC000336710486 386426668 /nfs/dbraw/zinc/42/66/68/386426668.db2.gz ZEWNIPGHIOUODG-UHFFFAOYSA-N 0 3 238.400 3.523 20 0 BHADHN Cc1ccsc1CN(C)CCSC(C)C ZINC000336710972 386427774 /nfs/dbraw/zinc/42/77/74/386427774.db2.gz UBEKFMJGEYOLNN-UHFFFAOYSA-N 0 3 243.441 3.630 20 0 BHADHN CCN(CCSC(C)C)Cc1cccs1 ZINC000336713019 386429484 /nfs/dbraw/zinc/42/94/84/386429484.db2.gz VHYGHKIVZFGMEF-UHFFFAOYSA-N 0 3 243.441 3.712 20 0 BHADHN CC(C)SCCNCc1cccc(Cl)c1 ZINC000336714869 167330167 /nfs/dbraw/zinc/33/01/67/167330167.db2.gz WKOLGZXENNSVGT-UHFFFAOYSA-N 0 3 243.803 3.571 20 0 BHADHN Clc1ccsc1CNCCC1=CCCC1 ZINC000336716023 385813523 /nfs/dbraw/zinc/81/35/23/385813523.db2.gz WUYXZIWSTYPNOS-UHFFFAOYSA-N 0 3 241.787 3.992 20 0 BHADHN CC[C@H](NCc1ccoc1)c1cccc(C)c1 ZINC000336717746 171533058 /nfs/dbraw/zinc/53/30/58/171533058.db2.gz UTAGNTPWYKRZJY-HNNXBMFYSA-N 0 3 229.323 3.829 20 0 BHADHN CC[C@@H](NCc1ccoc1)c1cccc(C)c1 ZINC000336717807 385841120 /nfs/dbraw/zinc/84/11/20/385841120.db2.gz UTAGNTPWYKRZJY-OAHLLOKOSA-N 0 3 229.323 3.829 20 0 BHADHN Cc1cc(CNCc2cscc2C)cs1 ZINC000336719158 178029590 /nfs/dbraw/zinc/02/95/90/178029590.db2.gz YWMWCYCECZOPJN-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN Cc1nc([C@@H](C)N[C@H](C)CCC2CC2)cs1 ZINC000336722086 180037433 /nfs/dbraw/zinc/03/74/33/180037433.db2.gz AOYQTFLBTUZRKT-NXEZZACHSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@@H](C)CCC2CC2)cs1 ZINC000336722100 180051899 /nfs/dbraw/zinc/05/18/99/180051899.db2.gz AOYQTFLBTUZRKT-UWVGGRQHSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H](C)CCC2CC2)cs1 ZINC000336722106 180036724 /nfs/dbraw/zinc/03/67/24/180036724.db2.gz AOYQTFLBTUZRKT-VHSXEESVSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1nc([C@H](C)N[C@H](C)CCC2CC2)cs1 ZINC000336722107 180052088 /nfs/dbraw/zinc/05/20/88/180052088.db2.gz AOYQTFLBTUZRKT-ZJUUUORDSA-N 0 3 238.400 3.681 20 0 BHADHN CCSCCNCc1c(C)oc2ccccc21 ZINC000336722407 386159980 /nfs/dbraw/zinc/15/99/80/386159980.db2.gz YDZZYWKRUKFLLX-UHFFFAOYSA-N 0 3 249.379 3.584 20 0 BHADHN Clc1sccc1CNCC1(C2CC2)CC1 ZINC000336723783 386645002 /nfs/dbraw/zinc/64/50/02/386645002.db2.gz FQSUAVZUXUDRHG-UHFFFAOYSA-N 0 3 241.787 3.681 20 0 BHADHN CC(C)SCCN(Cc1ccccc1)C1CC1 ZINC000336726382 167324326 /nfs/dbraw/zinc/32/43/26/167324326.db2.gz YSZWLSUKTQILEH-UHFFFAOYSA-N 0 3 249.423 3.793 20 0 BHADHN CC/C=C\CCN[C@@H](CC)c1nccs1 ZINC000336727956 351546799 /nfs/dbraw/zinc/54/67/99/351546799.db2.gz HQDZQOWWHOMUQU-GZTOBOFZSA-N 0 3 224.373 3.540 20 0 BHADHN CC/C=C\CCN[C@H](CC)c1nccs1 ZINC000336727962 351546937 /nfs/dbraw/zinc/54/69/37/351546937.db2.gz HQDZQOWWHOMUQU-ISALQUGTSA-N 0 3 224.373 3.540 20 0 BHADHN CC1(C)CC(N[C@@H]2CSc3ccccc32)C1 ZINC000336728101 167889423 /nfs/dbraw/zinc/88/94/23/167889423.db2.gz CHBKRZXXQKICBE-GFCCVEGCSA-N 0 3 233.380 3.612 20 0 BHADHN CC1(C)CC(N[C@H]2CSc3ccccc32)C1 ZINC000336728102 386048474 /nfs/dbraw/zinc/04/84/74/386048474.db2.gz CHBKRZXXQKICBE-LBPRGKRZSA-N 0 3 233.380 3.612 20 0 BHADHN CC1(CCNCc2cc(Cl)ccc2F)CC1 ZINC000336728422 168020013 /nfs/dbraw/zinc/02/00/13/168020013.db2.gz CNSQLHAHBDMEKC-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CCC[C@H](NC[C@@H](F)CC)c1ccccc1 ZINC000336728504 487658618 /nfs/dbraw/zinc/65/86/18/487658618.db2.gz HFBCHIVKKGAAOB-KBPBESRZSA-N 0 3 223.335 3.866 20 0 BHADHN CCC[C@H](NC[C@H](F)CC)c1ccccc1 ZINC000336728509 386077040 /nfs/dbraw/zinc/07/70/40/386077040.db2.gz HFBCHIVKKGAAOB-KGLIPLIRSA-N 0 3 223.335 3.866 20 0 BHADHN CCC[C@@H](NC[C@@H](F)CC)c1ccccc1 ZINC000336728512 386077380 /nfs/dbraw/zinc/07/73/80/386077380.db2.gz HFBCHIVKKGAAOB-UONOGXRCSA-N 0 3 223.335 3.866 20 0 BHADHN CCC[C@@H](NC[C@H](F)CC)c1ccccc1 ZINC000336728515 386077544 /nfs/dbraw/zinc/07/75/44/386077544.db2.gz HFBCHIVKKGAAOB-ZIAGYGMSSA-N 0 3 223.335 3.866 20 0 BHADHN CC[C@@H](NC1CC(C)(C)C1)c1nc(C)cs1 ZINC000336731800 386325178 /nfs/dbraw/zinc/32/51/78/386325178.db2.gz JAURQAKHNKGZJB-LLVKDONJSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@H](NC1CC(C)(C)C1)c1nc(C)cs1 ZINC000336731801 386323791 /nfs/dbraw/zinc/32/37/91/386323791.db2.gz JAURQAKHNKGZJB-NSHDSACASA-N 0 3 238.400 3.681 20 0 BHADHN CC/C=C\CCN[C@](C)(CC)c1nccs1 ZINC000336732175 167859811 /nfs/dbraw/zinc/85/98/11/167859811.db2.gz JFOAAIKRGOIXFG-FMFIFOJESA-N 0 3 238.400 3.714 20 0 BHADHN CC/C=C\CCN[C@@](C)(CC)c1nccs1 ZINC000336732190 386373965 /nfs/dbraw/zinc/37/39/65/386373965.db2.gz JFOAAIKRGOIXFG-FWWRYZNZSA-N 0 3 238.400 3.714 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CC23CCCC3)o1 ZINC000336732424 386398168 /nfs/dbraw/zinc/39/81/68/386398168.db2.gz FTYYDDLQBTYUFB-AAEUAGOBSA-N 0 3 219.328 3.571 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CC23CCCC3)o1 ZINC000336732426 386397282 /nfs/dbraw/zinc/39/72/82/386397282.db2.gz FTYYDDLQBTYUFB-DGCLKSJQSA-N 0 3 219.328 3.571 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CC23CCCC3)o1 ZINC000336732430 386400791 /nfs/dbraw/zinc/40/07/91/386400791.db2.gz FTYYDDLQBTYUFB-WCQYABFASA-N 0 3 219.328 3.571 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2CC23CCCC3)o1 ZINC000336732432 386401486 /nfs/dbraw/zinc/40/14/86/386401486.db2.gz FTYYDDLQBTYUFB-YPMHNXCESA-N 0 3 219.328 3.571 20 0 BHADHN CC[C@H](N[C@@H](C)[C@H]1CC1(C)C)c1nccs1 ZINC000336733020 386439136 /nfs/dbraw/zinc/43/91/36/386439136.db2.gz JVWNHXROHJGLJD-AXFHLTTASA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](N[C@@H](C)[C@@H]1CC1(C)C)c1nccs1 ZINC000336733021 386439691 /nfs/dbraw/zinc/43/96/91/386439691.db2.gz JVWNHXROHJGLJD-DCAQKATOSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](N[C@H](C)[C@H]1CC1(C)C)c1nccs1 ZINC000336733022 386440494 /nfs/dbraw/zinc/44/04/94/386440494.db2.gz JVWNHXROHJGLJD-MXWKQRLJSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](N[C@H](C)[C@@H]1CC1(C)C)c1nccs1 ZINC000336733023 386440307 /nfs/dbraw/zinc/44/03/07/386440307.db2.gz JVWNHXROHJGLJD-VWYCJHECSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@@H](NC1CC2(CCC2)C1)c1nccs1 ZINC000336734726 385678766 /nfs/dbraw/zinc/67/87/66/385678766.db2.gz LCTIQDCZHNLRRR-LLVKDONJSA-N 0 3 236.384 3.517 20 0 BHADHN CC[C@H](NC1CC2(CCC2)C1)c1nccs1 ZINC000336734728 385678691 /nfs/dbraw/zinc/67/86/91/385678691.db2.gz LCTIQDCZHNLRRR-NSHDSACASA-N 0 3 236.384 3.517 20 0 BHADHN CC[C@@H](NC1CCC1)c1cc(F)ccc1F ZINC000336734895 385687449 /nfs/dbraw/zinc/68/74/49/385687449.db2.gz LEZFDNKKWCXZHW-CYBMUJFWSA-N 0 3 225.282 3.558 20 0 BHADHN CC[C@H](NC1CCC1)c1cc(F)ccc1F ZINC000336734898 385687420 /nfs/dbraw/zinc/68/74/20/385687420.db2.gz LEZFDNKKWCXZHW-ZDUSSCGKSA-N 0 3 225.282 3.558 20 0 BHADHN CC[C@@H](NCc1nc(C)c(C)s1)C(C)(C)C ZINC000336736170 351925813 /nfs/dbraw/zinc/92/58/13/351925813.db2.gz MJXULIGFCLHGPF-LLVKDONJSA-N 0 3 240.416 3.674 20 0 BHADHN CC[C@H](NCc1nc(C)c(C)s1)C(C)(C)C ZINC000336736172 385741261 /nfs/dbraw/zinc/74/12/61/385741261.db2.gz MJXULIGFCLHGPF-NSHDSACASA-N 0 3 240.416 3.674 20 0 BHADHN CC[C@H](C)NCc1ccc(C2CC2)cc1F ZINC000336737651 171342811 /nfs/dbraw/zinc/34/28/11/171342811.db2.gz NOQDYVGTRJGASU-JTQLQIEISA-N 0 3 221.319 3.591 20 0 BHADHN CC[C@@H](C)NCc1ccc(C2CC2)cc1F ZINC000336737652 385810137 /nfs/dbraw/zinc/81/01/37/385810137.db2.gz NOQDYVGTRJGASU-SNVBAGLBSA-N 0 3 221.319 3.591 20 0 BHADHN CCC1(CN[C@H](C)c2cc(C)c(C)o2)CC1 ZINC000336737748 385818914 /nfs/dbraw/zinc/81/89/14/385818914.db2.gz NVQKHKDLMQSCEZ-LLVKDONJSA-N 0 3 221.344 3.737 20 0 BHADHN CCC1(CN[C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000336737749 385819017 /nfs/dbraw/zinc/81/90/17/385819017.db2.gz NVQKHKDLMQSCEZ-NSHDSACASA-N 0 3 221.344 3.737 20 0 BHADHN Cc1cc([C@H](C)NC[C@H]2CC2(C)C)oc1C ZINC000336738902 178249776 /nfs/dbraw/zinc/24/97/76/178249776.db2.gz KRQCLPXIUQDLDB-CMPLNLGQSA-N 0 3 221.344 3.593 20 0 BHADHN Cc1cc([C@H](C)NC[C@@H]2CC2(C)C)oc1C ZINC000336738904 178248493 /nfs/dbraw/zinc/24/84/93/178248493.db2.gz KRQCLPXIUQDLDB-JQWIXIFHSA-N 0 3 221.344 3.593 20 0 BHADHN Cc1cc([C@@H](C)NC[C@@H]2CC2(C)C)oc1C ZINC000336738906 178225869 /nfs/dbraw/zinc/22/58/69/178225869.db2.gz KRQCLPXIUQDLDB-PWSUYJOCSA-N 0 3 221.344 3.593 20 0 BHADHN Cc1cc([C@@H](C)NC[C@H]2CC2(C)C)oc1C ZINC000336738908 178227717 /nfs/dbraw/zinc/22/77/17/178227717.db2.gz KRQCLPXIUQDLDB-ZYHUDNBSSA-N 0 3 221.344 3.593 20 0 BHADHN Cc1cc([C@@H](C)NCCSC(C)C)oc1C ZINC000336738976 178225351 /nfs/dbraw/zinc/22/53/51/178225351.db2.gz KTMAKCTTWFNGKV-LLVKDONJSA-N 0 3 241.400 3.689 20 0 BHADHN Cc1cc([C@H](C)NCCSC(C)C)oc1C ZINC000336738985 178248623 /nfs/dbraw/zinc/24/86/23/178248623.db2.gz KTMAKCTTWFNGKV-NSHDSACASA-N 0 3 241.400 3.689 20 0 BHADHN Cc1ccc([C@@H](C)NCCC2(F)CCC2)o1 ZINC000336739255 386876409 /nfs/dbraw/zinc/87/64/09/386876409.db2.gz LCCXDVVGLFNWMA-LLVKDONJSA-N 0 3 225.307 3.521 20 0 BHADHN Cc1ccc([C@H](C)NCCC2(F)CCC2)o1 ZINC000336739259 386877309 /nfs/dbraw/zinc/87/73/09/386877309.db2.gz LCCXDVVGLFNWMA-NSHDSACASA-N 0 3 225.307 3.521 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCC2(C)C)oc1C ZINC000336739610 178258070 /nfs/dbraw/zinc/25/80/70/178258070.db2.gz LMAQBYNEHQHIAC-GWCFXTLKSA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC2(C)C)oc1C ZINC000336739611 178252946 /nfs/dbraw/zinc/25/29/46/178252946.db2.gz LMAQBYNEHQHIAC-GXFFZTMASA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CCC2(C)C)oc1C ZINC000336739612 178233385 /nfs/dbraw/zinc/23/33/85/178233385.db2.gz LMAQBYNEHQHIAC-MFKMUULPSA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CCC2(C)C)oc1C ZINC000336739613 178231573 /nfs/dbraw/zinc/23/15/73/178231573.db2.gz LMAQBYNEHQHIAC-ZWNOBZJWSA-N 0 3 221.344 3.736 20 0 BHADHN CC(C)c1nc([C@H](C)NC[C@@H]2C[C@@H]2C)cs1 ZINC000336739694 386893897 /nfs/dbraw/zinc/89/38/97/386893897.db2.gz LPNNMJAYUJXNPC-DCAQKATOSA-N 0 3 238.400 3.573 20 0 BHADHN CC(C)c1nc([C@H](C)NC[C@H]2C[C@@H]2C)cs1 ZINC000336739697 386894585 /nfs/dbraw/zinc/89/45/85/386894585.db2.gz LPNNMJAYUJXNPC-GARJFASQSA-N 0 3 238.400 3.573 20 0 BHADHN CC(C)c1nc([C@H](C)NC[C@H]2C[C@H]2C)cs1 ZINC000336739703 386896078 /nfs/dbraw/zinc/89/60/78/386896078.db2.gz LPNNMJAYUJXNPC-OUAUKWLOSA-N 0 3 238.400 3.573 20 0 BHADHN CC(C)c1nc([C@H](C)NC[C@@H]2C[C@H]2C)cs1 ZINC000336739704 386896724 /nfs/dbraw/zinc/89/67/24/386896724.db2.gz LPNNMJAYUJXNPC-VWYCJHECSA-N 0 3 238.400 3.573 20 0 BHADHN CCC(CC)(CC)NCc1nc(C)sc1C ZINC000336739720 168318147 /nfs/dbraw/zinc/31/81/47/168318147.db2.gz PJGTYHLDOMXXJY-UHFFFAOYSA-N 0 3 240.416 3.818 20 0 BHADHN C[C@H](CC1CC1)N[C@H](C)c1ccc(Cl)cn1 ZINC000336739898 385790118 /nfs/dbraw/zinc/79/01/18/385790118.db2.gz LTGUZOCSWZWQBE-NXEZZACHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](CC1CC1)N[C@@H](C)c1ccc(Cl)cn1 ZINC000336739899 385788437 /nfs/dbraw/zinc/78/84/37/385788437.db2.gz LTGUZOCSWZWQBE-UWVGGRQHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@H](C)CC1CC1)c1ccc(Cl)cn1 ZINC000336739900 385788775 /nfs/dbraw/zinc/78/87/75/385788775.db2.gz LTGUZOCSWZWQBE-VHSXEESVSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](CC1CC1)N[C@@H](C)c1ccc(Cl)cn1 ZINC000336739901 176909167 /nfs/dbraw/zinc/90/91/67/176909167.db2.gz LTGUZOCSWZWQBE-ZJUUUORDSA-N 0 3 238.762 3.574 20 0 BHADHN CCC(CC)(CC)CNCc1ncc(C)s1 ZINC000336740063 168315624 /nfs/dbraw/zinc/31/56/24/168315624.db2.gz PREWIZRTAQNVJV-UHFFFAOYSA-N 0 3 240.416 3.758 20 0 BHADHN CCC(CC)NCc1nc(C(C)C)c(C)s1 ZINC000336740096 168389469 /nfs/dbraw/zinc/38/94/69/168389469.db2.gz PTNLWNMSSVDOLJ-UHFFFAOYSA-N 0 3 240.416 3.853 20 0 BHADHN CC[C@@H]1CC[C@H]1NCc1nc(C(C)C)cs1 ZINC000336740119 171058573 /nfs/dbraw/zinc/05/85/73/171058573.db2.gz PVQRSXMZJJRLRK-GHMZBOCLSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@@H]1CC[C@@H]1NCc1nc(C(C)C)cs1 ZINC000336740120 171043524 /nfs/dbraw/zinc/04/35/24/171043524.db2.gz PVQRSXMZJJRLRK-MNOVXSKESA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@H]1CC[C@@H]1NCc1nc(C(C)C)cs1 ZINC000336740121 385793932 /nfs/dbraw/zinc/79/39/32/385793932.db2.gz PVQRSXMZJJRLRK-QWRGUYRKSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@H]1CC[C@H]1NCc1nc(C(C)C)cs1 ZINC000336740122 385792148 /nfs/dbraw/zinc/79/21/48/385792148.db2.gz PVQRSXMZJJRLRK-WDEREUQCSA-N 0 3 238.400 3.545 20 0 BHADHN Cc1sc(CNC2CCCC2)nc1C(C)C ZINC000336740231 385800671 /nfs/dbraw/zinc/80/06/71/385800671.db2.gz MFTGJBBIGBGDKR-UHFFFAOYSA-N 0 3 238.400 3.607 20 0 BHADHN Clc1sccc1CN[C@H]1CC12CCCC2 ZINC000336740262 386479822 /nfs/dbraw/zinc/47/98/22/386479822.db2.gz UBSOTFGTYAMRBA-JTQLQIEISA-N 0 3 241.787 3.824 20 0 BHADHN Clc1sccc1CN[C@@H]1CC12CCCC2 ZINC000336740263 385789429 /nfs/dbraw/zinc/78/94/29/385789429.db2.gz UBSOTFGTYAMRBA-SNVBAGLBSA-N 0 3 241.787 3.824 20 0 BHADHN CC[C@@H](NCC1(C)CCC1)c1nc(C)cs1 ZINC000336741066 385847747 /nfs/dbraw/zinc/84/77/47/385847747.db2.gz QQFYXGYHTVYKAG-LLVKDONJSA-N 0 3 238.400 3.682 20 0 BHADHN CC[C@H](NCC1(C)CCC1)c1nc(C)cs1 ZINC000336741067 385847858 /nfs/dbraw/zinc/84/78/58/385847858.db2.gz QQFYXGYHTVYKAG-NSHDSACASA-N 0 3 238.400 3.682 20 0 BHADHN CC(C)c1nc([C@H](C)N[C@H]2CC[C@@H]2C)cs1 ZINC000336741368 385862954 /nfs/dbraw/zinc/86/29/54/385862954.db2.gz NGPBJSXTZUXFMG-DCAQKATOSA-N 0 3 238.400 3.716 20 0 BHADHN CCC1CC(NCc2nc(C(C)C)cs2)C1 ZINC000336741464 397865593 /nfs/dbraw/zinc/86/55/93/397865593.db2.gz RCPCLWNKLBIDJX-UHFFFAOYSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1nc([C@H](C)N[C@@H]2CC[C@@H]2C)cs1 ZINC000336741579 385870167 /nfs/dbraw/zinc/87/01/67/385870167.db2.gz NGPBJSXTZUXFMG-GARJFASQSA-N 0 3 238.400 3.716 20 0 BHADHN CC(C)c1nc([C@H](C)N[C@@H]2CC[C@H]2C)cs1 ZINC000336741580 385870381 /nfs/dbraw/zinc/87/03/81/385870381.db2.gz NGPBJSXTZUXFMG-OUAUKWLOSA-N 0 3 238.400 3.716 20 0 BHADHN CC(C)c1nc([C@H](C)N[C@H]2CC[C@H]2C)cs1 ZINC000336741581 385870820 /nfs/dbraw/zinc/87/08/20/385870820.db2.gz NGPBJSXTZUXFMG-VWYCJHECSA-N 0 3 238.400 3.716 20 0 BHADHN CC1(CCNCc2cccc(Cl)c2F)CC1 ZINC000336741791 168020740 /nfs/dbraw/zinc/02/07/40/168020740.db2.gz NMMPRKORUBPQTR-UHFFFAOYSA-N 0 3 241.737 3.759 20 0 BHADHN CCC[C@H](C)NCc1nc(C(C)C)c(C)s1 ZINC000336741973 385919673 /nfs/dbraw/zinc/91/96/73/385919673.db2.gz ROSFUUGIEZWSSG-JTQLQIEISA-N 0 3 240.416 3.853 20 0 BHADHN CCC[C@@H](C)NCc1nc(C(C)C)c(C)s1 ZINC000336741974 169370949 /nfs/dbraw/zinc/37/09/49/169370949.db2.gz ROSFUUGIEZWSSG-SNVBAGLBSA-N 0 3 240.416 3.853 20 0 BHADHN Cc1ccc([C@@H](NC2CCC2)C2CCC2)o1 ZINC000336743304 386367435 /nfs/dbraw/zinc/36/74/35/386367435.db2.gz TVWOSUSYMYIFIO-AWEZNQCLSA-N 0 3 219.328 3.571 20 0 BHADHN Cc1ccc([C@H](NC2CCC2)C2CCC2)o1 ZINC000336743305 386367964 /nfs/dbraw/zinc/36/79/64/386367964.db2.gz TVWOSUSYMYIFIO-CQSZACIVSA-N 0 3 219.328 3.571 20 0 BHADHN CC[C@@H](NCCCCCF)c1nc(C)cs1 ZINC000336744471 170893276 /nfs/dbraw/zinc/89/32/76/170893276.db2.gz UZZXXEXHECAIAA-LLVKDONJSA-N 0 3 244.379 3.632 20 0 BHADHN CC[C@H](NCCCCCF)c1nc(C)cs1 ZINC000336744473 386857473 /nfs/dbraw/zinc/85/74/73/386857473.db2.gz UZZXXEXHECAIAA-NSHDSACASA-N 0 3 244.379 3.632 20 0 BHADHN FC1(CCNCc2sccc2Cl)CCC1 ZINC000336744740 386876586 /nfs/dbraw/zinc/87/65/86/386876586.db2.gz ZWJBNQMOOYHEPV-UHFFFAOYSA-N 0 3 247.766 3.773 20 0 BHADHN CCC[C@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000336744750 386877801 /nfs/dbraw/zinc/87/78/01/386877801.db2.gz VEZABOGQPFHXDB-JTQLQIEISA-N 0 3 238.400 3.609 20 0 BHADHN CCC[C@@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000336744751 169369169 /nfs/dbraw/zinc/36/91/69/169369169.db2.gz VEZABOGQPFHXDB-SNVBAGLBSA-N 0 3 238.400 3.609 20 0 BHADHN Cc1ccc([C@@H](NC2CC2)C2CCCC2)o1 ZINC000336745246 386984198 /nfs/dbraw/zinc/98/41/98/386984198.db2.gz VMDGKUCTQBUZKH-AWEZNQCLSA-N 0 3 219.328 3.571 20 0 BHADHN Cc1ccc([C@H](NC2CC2)C2CCCC2)o1 ZINC000336745247 386985609 /nfs/dbraw/zinc/98/56/09/386985609.db2.gz VMDGKUCTQBUZKH-CQSZACIVSA-N 0 3 219.328 3.571 20 0 BHADHN CCCC[C@H](C)[C@@H](C)NCc1nc(C)cs1 ZINC000336745709 352733002 /nfs/dbraw/zinc/73/30/02/352733002.db2.gz VXTGEKVPTOTOCR-CMPLNLGQSA-N 0 3 240.416 3.756 20 0 BHADHN CCCC[C@H](C)[C@H](C)NCc1nc(C)cs1 ZINC000336745710 352733030 /nfs/dbraw/zinc/73/30/30/352733030.db2.gz VXTGEKVPTOTOCR-JQWIXIFHSA-N 0 3 240.416 3.756 20 0 BHADHN CCCC[C@@H](C)[C@H](C)NCc1nc(C)cs1 ZINC000336745711 352733009 /nfs/dbraw/zinc/73/30/09/352733009.db2.gz VXTGEKVPTOTOCR-PWSUYJOCSA-N 0 3 240.416 3.756 20 0 BHADHN CCCC[C@@H](C)[C@@H](C)NCc1nc(C)cs1 ZINC000336745712 352733054 /nfs/dbraw/zinc/73/30/54/352733054.db2.gz VXTGEKVPTOTOCR-ZYHUDNBSSA-N 0 3 240.416 3.756 20 0 BHADHN CC(C)c1csc(CNC2CC(C)(C)C2)n1 ZINC000336747018 167653453 /nfs/dbraw/zinc/65/34/53/167653453.db2.gz RRGGRBRZYAZBKS-UHFFFAOYSA-N 0 3 238.400 3.545 20 0 BHADHN Cc1cc([C@@H](C)NCCC2(C)CC2)oc1C ZINC000336747059 178223817 /nfs/dbraw/zinc/22/38/17/178223817.db2.gz RTEWBLXIXBSDIC-LLVKDONJSA-N 0 3 221.344 3.737 20 0 BHADHN Cc1cc([C@H](C)NCCC2(C)CC2)oc1C ZINC000336747060 178246565 /nfs/dbraw/zinc/24/65/65/178246565.db2.gz RTEWBLXIXBSDIC-NSHDSACASA-N 0 3 221.344 3.737 20 0 BHADHN CCc1nc([C@H](C)N[C@H]2CC[C@H]2CC)cs1 ZINC000336747255 172007664 /nfs/dbraw/zinc/00/76/64/172007664.db2.gz XDLLYJRZGSBBNK-AXFHLTTASA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@H](C)N[C@H]2CC[C@@H]2CC)cs1 ZINC000336747256 172007529 /nfs/dbraw/zinc/00/75/29/172007529.db2.gz XDLLYJRZGSBBNK-DCAQKATOSA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@H](C)N[C@@H]2CC[C@@H]2CC)cs1 ZINC000336747257 172006938 /nfs/dbraw/zinc/00/69/38/172006938.db2.gz XDLLYJRZGSBBNK-GARJFASQSA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@H](C)N[C@@H]2CC[C@H]2CC)cs1 ZINC000336747258 172007761 /nfs/dbraw/zinc/00/77/61/172007761.db2.gz XDLLYJRZGSBBNK-HBNTYKKESA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1cnc(CNCCC2(C)CC2)s1 ZINC000336747819 398196531 /nfs/dbraw/zinc/19/65/31/398196531.db2.gz SGCJDYNYMISLKU-UHFFFAOYSA-N 0 3 238.400 3.546 20 0 BHADHN CC/C=C\CCNC(C)(C)c1nc(C)cs1 ZINC000336749763 385999021 /nfs/dbraw/zinc/99/90/21/385999021.db2.gz YYLLPEVOOKPPEB-SREVYHEPSA-N 0 3 238.400 3.633 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H](C)[C@@H]2CC2(C)C)s1 ZINC000336750082 386000969 /nfs/dbraw/zinc/00/09/69/386000969.db2.gz UPFHMWKYKQQOCM-DCAQKATOSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H](C)[C@H]2CC2(C)C)s1 ZINC000336750083 386001300 /nfs/dbraw/zinc/00/13/00/386001300.db2.gz UPFHMWKYKQQOCM-GARJFASQSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1cnc([C@H](C)N[C@H](C)[C@H]2CC2(C)C)s1 ZINC000336750085 386000685 /nfs/dbraw/zinc/00/06/85/386000685.db2.gz UPFHMWKYKQQOCM-OUAUKWLOSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1cnc([C@H](C)N[C@H](C)[C@@H]2CC2(C)C)s1 ZINC000336750087 386001044 /nfs/dbraw/zinc/00/10/44/386001044.db2.gz UPFHMWKYKQQOCM-VWYCJHECSA-N 0 3 238.400 3.537 20 0 BHADHN CCC(C)(C)CCNC(C)(C)c1nccs1 ZINC000336751212 168275744 /nfs/dbraw/zinc/27/57/44/168275744.db2.gz CCALNVQZUXOWRU-UHFFFAOYSA-N 0 3 240.416 3.794 20 0 BHADHN CC(C)CC[C@@H](NC1CC1)c1ccoc1 ZINC000336751503 384731471 /nfs/dbraw/zinc/73/14/71/384731471.db2.gz GKFQLQLJMCIWQR-CYBMUJFWSA-N 0 3 207.317 3.509 20 0 BHADHN CC(C)CC[C@H](NC1CC1)c1ccoc1 ZINC000336751504 353060549 /nfs/dbraw/zinc/06/05/49/353060549.db2.gz GKFQLQLJMCIWQR-ZDUSSCGKSA-N 0 3 207.317 3.509 20 0 BHADHN C[C@@H](NCC1(C(F)(F)F)CC1)c1ccsc1 ZINC000336752230 386015688 /nfs/dbraw/zinc/01/56/88/386015688.db2.gz VQTRTEBCAIJUMN-MRVPVSSYSA-N 0 3 249.301 3.741 20 0 BHADHN C[C@H](NCC1(C(F)(F)F)CC1)c1ccsc1 ZINC000336752231 386015647 /nfs/dbraw/zinc/01/56/47/386015647.db2.gz VQTRTEBCAIJUMN-QMMMGPOBSA-N 0 3 249.301 3.741 20 0 BHADHN Cc1ccc([C@@H](C)NC2CC3(CCC3)C2)o1 ZINC000336752528 411514363 /nfs/dbraw/zinc/51/43/63/411514363.db2.gz VUAVYNMNVUFEHQ-LLVKDONJSA-N 0 3 219.328 3.571 20 0 BHADHN Cc1ccc([C@H](C)NC2CC3(CCC3)C2)o1 ZINC000336752535 384768752 /nfs/dbraw/zinc/76/87/52/384768752.db2.gz VUAVYNMNVUFEHQ-NSHDSACASA-N 0 3 219.328 3.571 20 0 BHADHN CC(C)c1cnc(CN[C@@H]2CCC2(C)C)s1 ZINC000336754286 188000234 /nfs/dbraw/zinc/00/02/34/188000234.db2.gz WWSIDXZDVGKLLL-LLVKDONJSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1cnc(CN[C@H]2CCC2(C)C)s1 ZINC000336754295 187311421 /nfs/dbraw/zinc/31/14/21/187311421.db2.gz WWSIDXZDVGKLLL-NSHDSACASA-N 0 3 238.400 3.545 20 0 BHADHN CC1(CCNCc2ccccc2Cl)CC1 ZINC000336757261 168020900 /nfs/dbraw/zinc/02/09/00/168020900.db2.gz JYVYLUHCIZIBIH-UHFFFAOYSA-N 0 3 223.747 3.620 20 0 BHADHN CC[C@@H](F)CN[C@@H](C)c1cc(C)sc1C ZINC000336760268 386706965 /nfs/dbraw/zinc/70/69/65/386706965.db2.gz LRFYADZXOHIOOC-GXSJLCMTSA-N 0 3 229.364 3.764 20 0 BHADHN CC[C@H](F)CN[C@H](C)c1cc(C)sc1C ZINC000336760272 171474998 /nfs/dbraw/zinc/47/49/98/171474998.db2.gz LRFYADZXOHIOOC-KOLCDFICSA-N 0 3 229.364 3.764 20 0 BHADHN CC[C@@H](F)CN[C@H](C)c1cc(C)sc1C ZINC000336760273 386709567 /nfs/dbraw/zinc/70/95/67/386709567.db2.gz LRFYADZXOHIOOC-MWLCHTKSSA-N 0 3 229.364 3.764 20 0 BHADHN CC[C@H](F)CN[C@@H](C)c1cc(C)sc1C ZINC000336760274 386710551 /nfs/dbraw/zinc/71/05/51/386710551.db2.gz LRFYADZXOHIOOC-ONGXEEELSA-N 0 3 229.364 3.764 20 0 BHADHN CCc1nc([C@@H](C)NCCCC(C)C)cs1 ZINC000336760800 172002266 /nfs/dbraw/zinc/00/22/66/172002266.db2.gz JXHFAUOJTWLIFC-LLVKDONJSA-N 0 3 240.416 3.792 20 0 BHADHN CCc1nc([C@H](C)NCCCC(C)C)cs1 ZINC000336760805 172005448 /nfs/dbraw/zinc/00/54/48/172005448.db2.gz JXHFAUOJTWLIFC-NSHDSACASA-N 0 3 240.416 3.792 20 0 BHADHN C[C@H](CN[C@H](C)c1ccsc1)C(F)(F)F ZINC000336762751 188172377 /nfs/dbraw/zinc/17/23/77/188172377.db2.gz OMWUKACWTBVEFU-HTQZYQBOSA-N 0 3 237.290 3.597 20 0 BHADHN C[C@@H](NC[C@H](C)C(F)(F)F)c1ccsc1 ZINC000336762752 385143947 /nfs/dbraw/zinc/14/39/47/385143947.db2.gz OMWUKACWTBVEFU-JGVFFNPUSA-N 0 3 237.290 3.597 20 0 BHADHN C[C@H](CN[C@@H](C)c1ccsc1)C(F)(F)F ZINC000336762753 386940367 /nfs/dbraw/zinc/94/03/67/386940367.db2.gz OMWUKACWTBVEFU-SFYZADRCSA-N 0 3 237.290 3.597 20 0 BHADHN C[C@@H](CN[C@@H](C)c1ccsc1)C(F)(F)F ZINC000336762754 386940826 /nfs/dbraw/zinc/94/08/26/386940826.db2.gz OMWUKACWTBVEFU-YUMQZZPRSA-N 0 3 237.290 3.597 20 0 BHADHN CCc1nc([C@H](C)N[C@@H]2CCC2(C)C)cs1 ZINC000336764248 172006852 /nfs/dbraw/zinc/00/68/52/172006852.db2.gz NCWKRWNWGAXZLZ-GXSJLCMTSA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@@H](C)N[C@H]2CCC2(C)C)cs1 ZINC000336764249 172002691 /nfs/dbraw/zinc/00/26/91/172002691.db2.gz NCWKRWNWGAXZLZ-KOLCDFICSA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@@H](C)N[C@@H]2CCC2(C)C)cs1 ZINC000336764250 172002476 /nfs/dbraw/zinc/00/24/76/172002476.db2.gz NCWKRWNWGAXZLZ-MWLCHTKSSA-N 0 3 238.400 3.545 20 0 BHADHN CCc1nc([C@H](C)N[C@H]2CCC2(C)C)cs1 ZINC000336764251 172007569 /nfs/dbraw/zinc/00/75/69/172007569.db2.gz NCWKRWNWGAXZLZ-ONGXEEELSA-N 0 3 238.400 3.545 20 0 BHADHN CCCc1csc(CN[C@H](C)[C@H](C)CC)n1 ZINC000336768999 385975033 /nfs/dbraw/zinc/97/50/33/385975033.db2.gz RIBUWHJKYXFTTR-GHMZBOCLSA-N 0 3 240.416 3.620 20 0 BHADHN CCCc1csc(CN[C@@H](C)[C@H](C)CC)n1 ZINC000336769000 385975209 /nfs/dbraw/zinc/97/52/09/385975209.db2.gz RIBUWHJKYXFTTR-MNOVXSKESA-N 0 3 240.416 3.620 20 0 BHADHN CCCc1csc(CN[C@@H](C)[C@@H](C)CC)n1 ZINC000336769001 385974265 /nfs/dbraw/zinc/97/42/65/385974265.db2.gz RIBUWHJKYXFTTR-QWRGUYRKSA-N 0 3 240.416 3.620 20 0 BHADHN CCCc1csc(CN[C@H](C)[C@@H](C)CC)n1 ZINC000336769002 385976383 /nfs/dbraw/zinc/97/63/83/385976383.db2.gz RIBUWHJKYXFTTR-WDEREUQCSA-N 0 3 240.416 3.620 20 0 BHADHN CC[C@H](CC(F)(F)F)NCc1cccs1 ZINC000336769542 385982141 /nfs/dbraw/zinc/98/21/41/385982141.db2.gz UZWZJQPBTBCYCD-MRVPVSSYSA-N 0 3 237.290 3.569 20 0 BHADHN CC[C@@H](CC(F)(F)F)NCc1cccs1 ZINC000336769555 385980866 /nfs/dbraw/zinc/98/08/66/385980866.db2.gz UZWZJQPBTBCYCD-QMMMGPOBSA-N 0 3 237.290 3.569 20 0 BHADHN CCCc1csc(CN[C@H](C)CC(C)C)n1 ZINC000336775168 386384300 /nfs/dbraw/zinc/38/43/00/386384300.db2.gz YGBYRWUJYSEGIU-LLVKDONJSA-N 0 3 240.416 3.620 20 0 BHADHN CCCc1csc(CN[C@@H](C)CC(C)C)n1 ZINC000336775169 386384761 /nfs/dbraw/zinc/38/47/61/386384761.db2.gz YGBYRWUJYSEGIU-NSHDSACASA-N 0 3 240.416 3.620 20 0 BHADHN CC1(C)C[C@H]1NCc1ccc(C(F)(F)F)s1 ZINC000336776724 386406187 /nfs/dbraw/zinc/40/61/87/386406187.db2.gz GLNBOSLQRHHLIG-MRVPVSSYSA-N 0 3 249.301 3.655 20 0 BHADHN CC1(C)C[C@@H]1NCc1ccc(C(F)(F)F)s1 ZINC000336776725 188006342 /nfs/dbraw/zinc/00/63/42/188006342.db2.gz GLNBOSLQRHHLIG-QMMMGPOBSA-N 0 3 249.301 3.655 20 0 BHADHN CCc1ccc(CN[C@H](C)CCC2CC2)o1 ZINC000336777730 386431013 /nfs/dbraw/zinc/43/10/13/386431013.db2.gz JJFIXFDWSKUVGK-LLVKDONJSA-N 0 3 221.344 3.510 20 0 BHADHN CCc1ccc(CN[C@@H](C)CCC2CC2)o1 ZINC000336777731 386430158 /nfs/dbraw/zinc/43/01/58/386430158.db2.gz JJFIXFDWSKUVGK-NSHDSACASA-N 0 3 221.344 3.510 20 0 BHADHN CCCc1csc(CNC2CCCCC2)n1 ZINC000336778618 187317323 /nfs/dbraw/zinc/31/73/23/187317323.db2.gz LURSPBXSIYSWKQ-UHFFFAOYSA-N 0 3 238.400 3.518 20 0 BHADHN CCC(C)(C)CCN[C@H](C)c1ccccn1 ZINC000336778662 168277824 /nfs/dbraw/zinc/27/78/24/168277824.db2.gz LYNNRWIQNOZVDM-GFCCVEGCSA-N 0 3 220.360 3.559 20 0 BHADHN CCC(C)(C)CCN[C@@H](C)c1ccccn1 ZINC000336778663 168275672 /nfs/dbraw/zinc/27/56/72/168275672.db2.gz LYNNRWIQNOZVDM-LBPRGKRZSA-N 0 3 220.360 3.559 20 0 BHADHN CCSCCCN[C@H](C)c1cc(C)c(C)o1 ZINC000336779024 386485192 /nfs/dbraw/zinc/48/51/92/386485192.db2.gz MZSJGDVDDRWXTA-LLVKDONJSA-N 0 3 241.400 3.690 20 0 BHADHN CCSCCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000336779025 170628847 /nfs/dbraw/zinc/62/88/47/170628847.db2.gz MZSJGDVDDRWXTA-NSHDSACASA-N 0 3 241.400 3.690 20 0 BHADHN CCCc1csc(CNC2(C)CCCC2)n1 ZINC000336779471 386507870 /nfs/dbraw/zinc/50/78/70/386507870.db2.gz OJPSGELOULBTKN-UHFFFAOYSA-N 0 3 238.400 3.518 20 0 BHADHN CCCc1csc(CNCC(C)(C)CC)n1 ZINC000336779956 188176832 /nfs/dbraw/zinc/17/68/32/188176832.db2.gz PXJNUXNZVDVHLL-UHFFFAOYSA-N 0 3 240.416 3.621 20 0 BHADHN C[C@@H](NCc1ccc(Cl)cc1F)C1(C)CC1 ZINC000336782006 386625360 /nfs/dbraw/zinc/62/53/60/386625360.db2.gz WKHNXBLBMOADSR-SECBINFHSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H](NCc1ccc(Cl)cc1F)C1(C)CC1 ZINC000336782007 386625122 /nfs/dbraw/zinc/62/51/22/386625122.db2.gz WKHNXBLBMOADSR-VIFPVBQESA-N 0 3 241.737 3.757 20 0 BHADHN CCc1ccc([C@@H](C)NCCC2(C)CC2)o1 ZINC000336783198 488013413 /nfs/dbraw/zinc/01/34/13/488013413.db2.gz ZRSXFHPWUHIYPI-LLVKDONJSA-N 0 3 221.344 3.683 20 0 BHADHN CCc1ccc([C@H](C)NCCC2(C)CC2)o1 ZINC000336783199 488012741 /nfs/dbraw/zinc/01/27/41/488012741.db2.gz ZRSXFHPWUHIYPI-NSHDSACASA-N 0 3 221.344 3.683 20 0 BHADHN CC1CC(NCc2cc(F)c(Cl)cc2F)C1 ZINC000336783233 168146422 /nfs/dbraw/zinc/14/64/22/168146422.db2.gz ZVCGKLWSCCAOGY-UHFFFAOYSA-N 0 3 245.700 3.506 20 0 BHADHN Cc1ccc(CNCCC(C)(C)C2CC2)o1 ZINC000336884808 388471070 /nfs/dbraw/zinc/47/10/70/388471070.db2.gz CGLXSGOERXFJGI-UHFFFAOYSA-N 0 3 221.344 3.504 20 0 BHADHN CN(CCCC(C)(C)C)Cc1ccoc1 ZINC000337121369 386613517 /nfs/dbraw/zinc/61/35/17/386613517.db2.gz AGLYWIGIKJNHCH-UHFFFAOYSA-N 0 3 209.333 3.538 20 0 BHADHN Cc1ncc(CN(C)C[C@H](C)CC(C)C)s1 ZINC000337123794 180137975 /nfs/dbraw/zinc/13/79/75/180137975.db2.gz CKTLYFUQXBWURD-LLVKDONJSA-N 0 3 240.416 3.566 20 0 BHADHN Cc1ncc(CN(C)C[C@@H](C)CC(C)C)s1 ZINC000337123795 180137581 /nfs/dbraw/zinc/13/75/81/180137581.db2.gz CKTLYFUQXBWURD-NSHDSACASA-N 0 3 240.416 3.566 20 0 BHADHN C[C@@H]1CCCCN1Cc1cnc2ccccc2c1 ZINC000337125620 176074258 /nfs/dbraw/zinc/07/42/58/176074258.db2.gz FFFWEEIZYNSBEZ-CYBMUJFWSA-N 0 3 240.350 3.609 20 0 BHADHN C[C@H]1CCCCN1Cc1cnc2ccccc2c1 ZINC000337125621 177076800 /nfs/dbraw/zinc/07/68/00/177076800.db2.gz FFFWEEIZYNSBEZ-ZDUSSCGKSA-N 0 3 240.350 3.609 20 0 BHADHN CN(CCCC(C)(C)C)Cc1ccco1 ZINC000337128165 386615694 /nfs/dbraw/zinc/61/56/94/386615694.db2.gz HYIJWIHTHNVPEJ-UHFFFAOYSA-N 0 3 209.333 3.538 20 0 BHADHN CN(Cc1cnc2ccccc2c1)CC(C)(C)C ZINC000337134472 386621821 /nfs/dbraw/zinc/62/18/21/386621821.db2.gz LSXNIJQVVBQIAI-UHFFFAOYSA-N 0 3 242.366 3.713 20 0 BHADHN CCCN(Cc1cnc2ccccc2c1)C1CC1 ZINC000337136320 169179997 /nfs/dbraw/zinc/17/99/97/169179997.db2.gz NDEBGPLCJIBVFJ-UHFFFAOYSA-N 0 3 240.350 3.609 20 0 BHADHN Cc1ncc(CN(C)CCCC(C)(C)C)s1 ZINC000337142852 180138643 /nfs/dbraw/zinc/13/86/43/180138643.db2.gz USKBZCLTUAEURT-UHFFFAOYSA-N 0 3 240.416 3.710 20 0 BHADHN CCN(Cc1ccnn1C(C)C)C1CCCCC1 ZINC000337143926 350560277 /nfs/dbraw/zinc/56/02/77/350560277.db2.gz WANDAEPKWIULCA-UHFFFAOYSA-N 0 3 249.402 3.619 20 0 BHADHN CC(C)(C)CCCN1CCc2ccc(O)cc2C1 ZINC000337156233 386639669 /nfs/dbraw/zinc/63/96/69/386639669.db2.gz ADWXYNOOPWCUJY-UHFFFAOYSA-N 0 3 247.382 3.577 20 0 BHADHN CC(C)C[C@H](C)CN1CCCC[C@H]1c1ncc[nH]1 ZINC000337164554 191136145 /nfs/dbraw/zinc/13/61/45/191136145.db2.gz XUZWWTVQFIWBSQ-KBPBESRZSA-N 0 3 249.402 3.619 20 0 BHADHN CC(C)C[C@@H](C)CN1CCCC[C@H]1c1ncc[nH]1 ZINC000337164555 386641247 /nfs/dbraw/zinc/64/12/47/386641247.db2.gz XUZWWTVQFIWBSQ-KGLIPLIRSA-N 0 3 249.402 3.619 20 0 BHADHN CC(C)C[C@H](C)CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000337164556 188361708 /nfs/dbraw/zinc/36/17/08/188361708.db2.gz XUZWWTVQFIWBSQ-UONOGXRCSA-N 0 3 249.402 3.619 20 0 BHADHN CC(C)C[C@@H](C)CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000337164557 386643030 /nfs/dbraw/zinc/64/30/30/386643030.db2.gz XUZWWTVQFIWBSQ-ZIAGYGMSSA-N 0 3 249.402 3.619 20 0 BHADHN C[C@H](c1ccncc1)N(C)CCCC(C)(C)C ZINC000337167745 177049972 /nfs/dbraw/zinc/04/99/72/177049972.db2.gz AZGVGGRKTJDABN-CYBMUJFWSA-N 0 3 234.387 3.901 20 0 BHADHN C[C@@H](c1ccncc1)N(C)CCCC(C)(C)C ZINC000337167746 176034706 /nfs/dbraw/zinc/03/47/06/176034706.db2.gz AZGVGGRKTJDABN-ZDUSSCGKSA-N 0 3 234.387 3.901 20 0 BHADHN CC(C)C[C@H](C)CN(Cc1cccnc1)C1CC1 ZINC000337168181 191136296 /nfs/dbraw/zinc/13/62/96/191136296.db2.gz BINQTQKEGPUHTQ-AWEZNQCLSA-N 0 3 246.398 3.728 20 0 BHADHN CC(C)C[C@@H](C)CN(Cc1cccnc1)C1CC1 ZINC000337168182 188185350 /nfs/dbraw/zinc/18/53/50/188185350.db2.gz BINQTQKEGPUHTQ-CQSZACIVSA-N 0 3 246.398 3.728 20 0 BHADHN C[C@H](c1cccnc1)N(C)CCCC(C)(C)C ZINC000337168901 177044679 /nfs/dbraw/zinc/04/46/79/177044679.db2.gz BWGQKWFZQCFOTE-CYBMUJFWSA-N 0 3 234.387 3.901 20 0 BHADHN C[C@@H](c1cccnc1)N(C)CCCC(C)(C)C ZINC000337168902 176028893 /nfs/dbraw/zinc/02/88/93/176028893.db2.gz BWGQKWFZQCFOTE-ZDUSSCGKSA-N 0 3 234.387 3.901 20 0 BHADHN Cc1cccc(CN(C)C[C@H](C)CC(C)C)n1 ZINC000337171290 179066168 /nfs/dbraw/zinc/06/61/68/179066168.db2.gz DOGMJLAGOZQVSP-CYBMUJFWSA-N 0 3 234.387 3.504 20 0 BHADHN Cc1cccc(CN(C)C[C@@H](C)CC(C)C)n1 ZINC000337171291 179065298 /nfs/dbraw/zinc/06/52/98/179065298.db2.gz DOGMJLAGOZQVSP-ZDUSSCGKSA-N 0 3 234.387 3.504 20 0 BHADHN CC(C)(C)CCCN(Cc1ccccn1)C1CC1 ZINC000337178999 386635258 /nfs/dbraw/zinc/63/52/58/386635258.db2.gz KVWQFUVKQIEYHZ-UHFFFAOYSA-N 0 3 246.398 3.872 20 0 BHADHN CCN(CCCC(C)(C)C)Cc1ccccn1 ZINC000337179699 386636453 /nfs/dbraw/zinc/63/64/53/386636453.db2.gz LREQFISPHXADOV-UHFFFAOYSA-N 0 3 234.387 3.730 20 0 BHADHN Cc1cccc(CN(C)CCCC(C)(C)C)n1 ZINC000337179980 179065484 /nfs/dbraw/zinc/06/54/84/179065484.db2.gz LQDOYXMOGJYAMY-UHFFFAOYSA-N 0 3 234.387 3.648 20 0 BHADHN CCN(CCCC(C)(C)C)Cc1ccncc1 ZINC000337182273 386652309 /nfs/dbraw/zinc/65/23/09/386652309.db2.gz NBYCAEXDKGAHKS-UHFFFAOYSA-N 0 3 234.387 3.730 20 0 BHADHN CC(C)C[C@H](C)CN(Cc1ccccn1)C1CC1 ZINC000337183611 188361541 /nfs/dbraw/zinc/36/15/41/188361541.db2.gz NVCRMBLKEIFBAB-AWEZNQCLSA-N 0 3 246.398 3.728 20 0 BHADHN CC(C)C[C@@H](C)CN(Cc1ccccn1)C1CC1 ZINC000337183612 187324111 /nfs/dbraw/zinc/32/41/11/187324111.db2.gz NVCRMBLKEIFBAB-CQSZACIVSA-N 0 3 246.398 3.728 20 0 BHADHN CC[C@H]1CCCCCN1Cc1ccnn1C(C)C ZINC000337184077 386655723 /nfs/dbraw/zinc/65/57/23/386655723.db2.gz NPOUJTAKZDREOP-AWEZNQCLSA-N 0 3 249.402 3.619 20 0 BHADHN CC[C@@H]1CCCCCN1Cc1ccnn1C(C)C ZINC000337184079 350562775 /nfs/dbraw/zinc/56/27/75/350562775.db2.gz NPOUJTAKZDREOP-CQSZACIVSA-N 0 3 249.402 3.619 20 0 BHADHN Cc1ncsc1CN(C)CCCC(C)(C)C ZINC000337185091 180313877 /nfs/dbraw/zinc/31/38/77/180313877.db2.gz OBURDJRBXLJLLE-UHFFFAOYSA-N 0 3 240.416 3.710 20 0 BHADHN C[C@H](c1ccccn1)N(C)CCCC(C)(C)C ZINC000337189379 177042516 /nfs/dbraw/zinc/04/25/16/177042516.db2.gz RLUVZJIETFKWAF-CYBMUJFWSA-N 0 3 234.387 3.901 20 0 BHADHN C[C@@H](c1ccccn1)N(C)CCCC(C)(C)C ZINC000337189381 176025726 /nfs/dbraw/zinc/02/57/26/176025726.db2.gz RLUVZJIETFKWAF-ZDUSSCGKSA-N 0 3 234.387 3.901 20 0 BHADHN CC(C)(C)CCCN(Cc1cccnc1)C1CC1 ZINC000337190618 386642573 /nfs/dbraw/zinc/64/25/73/386642573.db2.gz SRYQAQSTOBOZIG-UHFFFAOYSA-N 0 3 246.398 3.872 20 0 BHADHN CC(C)(C)CCCN(Cc1ccncc1)C1CC1 ZINC000337190960 386641315 /nfs/dbraw/zinc/64/13/15/386641315.db2.gz SWPQQAIIUPIHKW-UHFFFAOYSA-N 0 3 246.398 3.872 20 0 BHADHN Cc1ccncc1CN(C)C[C@H](C)CC(C)C ZINC000337246553 386675523 /nfs/dbraw/zinc/67/55/23/386675523.db2.gz OQWZDESXECRBPN-CYBMUJFWSA-N 0 3 234.387 3.504 20 0 BHADHN Cc1ccncc1CN(C)C[C@@H](C)CC(C)C ZINC000337246554 386675983 /nfs/dbraw/zinc/67/59/83/386675983.db2.gz OQWZDESXECRBPN-ZDUSSCGKSA-N 0 3 234.387 3.504 20 0 BHADHN Cc1ccncc1CN(C)CCCC(C)(C)C ZINC000337266399 386693574 /nfs/dbraw/zinc/69/35/74/386693574.db2.gz ZDVAUKDQJZHBLN-UHFFFAOYSA-N 0 3 234.387 3.648 20 0 BHADHN Cc1ccc(CNCC2CCC(F)(F)CC2)o1 ZINC000337279760 386699750 /nfs/dbraw/zinc/69/97/50/386699750.db2.gz GSJGDSZKZTVVOT-UHFFFAOYSA-N 0 3 243.297 3.503 20 0 BHADHN c1cc(-c2ccccc2)oc1CNC1CCC1 ZINC000337349453 183379793 /nfs/dbraw/zinc/37/97/93/183379793.db2.gz PQJNLJRSKAFQAL-UHFFFAOYSA-N 0 3 227.307 3.589 20 0 BHADHN c1ccc2c(c1)SC[C@@H]2N[C@@H]1CCC12CCC2 ZINC000337376705 385630191 /nfs/dbraw/zinc/63/01/91/385630191.db2.gz ASQDSFYDSKVCKY-GXTWGEPZSA-N 0 3 245.391 3.756 20 0 BHADHN c1ccc2c(c1)SC[C@@H]2N[C@H]1CCC12CCC2 ZINC000337376707 385629550 /nfs/dbraw/zinc/62/95/50/385629550.db2.gz ASQDSFYDSKVCKY-JSGCOSHPSA-N 0 3 245.391 3.756 20 0 BHADHN c1ccc2c(c1)SC[C@H]2N[C@H]1CCC12CCC2 ZINC000337376709 385629672 /nfs/dbraw/zinc/62/96/72/385629672.db2.gz ASQDSFYDSKVCKY-OCCSQVGLSA-N 0 3 245.391 3.756 20 0 BHADHN c1ccc2c(c1)SC[C@H]2N[C@@H]1CCC12CCC2 ZINC000337376711 385630751 /nfs/dbraw/zinc/63/07/51/385630751.db2.gz ASQDSFYDSKVCKY-TZMCWYRMSA-N 0 3 245.391 3.756 20 0 BHADHN Cc1cc([C@@H](C)NCC2(C3CC3)CC2)oc1C ZINC000337422997 178223112 /nfs/dbraw/zinc/22/31/12/178223112.db2.gz GEMCBVHSUMBTRK-LLVKDONJSA-N 0 3 233.355 3.737 20 0 BHADHN Cc1cc([C@H](C)NCC2(C3CC3)CC2)oc1C ZINC000337422999 178247427 /nfs/dbraw/zinc/24/74/27/178247427.db2.gz GEMCBVHSUMBTRK-NSHDSACASA-N 0 3 233.355 3.737 20 0 BHADHN Cc1cc([C@@H](C)NCCc2ccsc2)oc1C ZINC000337452071 178227724 /nfs/dbraw/zinc/22/77/24/178227724.db2.gz IENURQMLZGGFKW-LLVKDONJSA-N 0 3 249.379 3.851 20 0 BHADHN Cc1cc([C@H](C)NCCc2ccsc2)oc1C ZINC000337452095 178249403 /nfs/dbraw/zinc/24/94/03/178249403.db2.gz IENURQMLZGGFKW-NSHDSACASA-N 0 3 249.379 3.851 20 0 BHADHN Cc1cc([C@@H](C)NCC2(C(C)C)CC2)oc1C ZINC000337455913 178221938 /nfs/dbraw/zinc/22/19/38/178221938.db2.gz JEMZXTIESXJRGW-GFCCVEGCSA-N 0 3 235.371 3.983 20 0 BHADHN Cc1cc([C@H](C)NCC2(C(C)C)CC2)oc1C ZINC000337455929 178245763 /nfs/dbraw/zinc/24/57/63/178245763.db2.gz JEMZXTIESXJRGW-LBPRGKRZSA-N 0 3 235.371 3.983 20 0 BHADHN CCOc1ccccc1CN[C@H]1CCC12CCC2 ZINC000337472796 385676427 /nfs/dbraw/zinc/67/64/27/385676427.db2.gz OCZQXCNIKAOZOV-HNNXBMFYSA-N 0 3 245.366 3.508 20 0 BHADHN CCOc1ccccc1CN[C@@H]1CCC12CCC2 ZINC000337472797 385676986 /nfs/dbraw/zinc/67/69/86/385676986.db2.gz OCZQXCNIKAOZOV-OAHLLOKOSA-N 0 3 245.366 3.508 20 0 BHADHN CC[C@@H](N[C@@H]1CCC12CCC2)c1c(C)noc1C ZINC000337474740 170909862 /nfs/dbraw/zinc/90/98/62/170909862.db2.gz OPEOIRANKZVKOH-CHWSQXEVSA-N 0 3 248.370 3.665 20 0 BHADHN CC[C@@H](N[C@H]1CCC12CCC2)c1c(C)noc1C ZINC000337474746 350588435 /nfs/dbraw/zinc/58/84/35/350588435.db2.gz OPEOIRANKZVKOH-OLZOCXBDSA-N 0 3 248.370 3.665 20 0 BHADHN CC[C@H](N[C@@H]1CCC12CCC2)c1c(C)noc1C ZINC000337474749 385678854 /nfs/dbraw/zinc/67/88/54/385678854.db2.gz OPEOIRANKZVKOH-QWHCGFSZSA-N 0 3 248.370 3.665 20 0 BHADHN CC[C@H](N[C@H]1CCC12CCC2)c1c(C)noc1C ZINC000337474752 385679442 /nfs/dbraw/zinc/67/94/42/385679442.db2.gz OPEOIRANKZVKOH-STQMWFEESA-N 0 3 248.370 3.665 20 0 BHADHN Fc1ccccc1C1(N[C@H]2CCC23CCC3)CC1 ZINC000337494748 181010223 /nfs/dbraw/zinc/01/02/23/181010223.db2.gz XUWAUGOGYOOFGK-AWEZNQCLSA-N 0 3 245.341 3.737 20 0 BHADHN Fc1ccccc1C1(N[C@@H]2CCC23CCC3)CC1 ZINC000337494749 181010185 /nfs/dbraw/zinc/01/01/85/181010185.db2.gz XUWAUGOGYOOFGK-CQSZACIVSA-N 0 3 245.341 3.737 20 0 BHADHN Cc1cc([C@@H](C)NCC2(C(F)F)CC2)oc1C ZINC000337498220 178223303 /nfs/dbraw/zinc/22/33/03/178223303.db2.gz ZJKNOXPZMQENMD-SECBINFHSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@H](C)NCC2(C(F)F)CC2)oc1C ZINC000337498230 178245015 /nfs/dbraw/zinc/24/50/15/178245015.db2.gz ZJKNOXPZMQENMD-VIFPVBQESA-N 0 3 243.297 3.592 20 0 BHADHN Fc1cccc(C2(N[C@H]3CCC34CCC4)CC2)c1 ZINC000337498699 385685758 /nfs/dbraw/zinc/68/57/58/385685758.db2.gz ZOZUZEAFTWAGRW-AWEZNQCLSA-N 0 3 245.341 3.737 20 0 BHADHN Fc1cccc(C2(N[C@@H]3CCC34CCC4)CC2)c1 ZINC000337498700 385685712 /nfs/dbraw/zinc/68/57/12/385685712.db2.gz ZOZUZEAFTWAGRW-CQSZACIVSA-N 0 3 245.341 3.737 20 0 BHADHN CCN(Cc1ccccc1Cl)C(C)C ZINC000337502059 350590062 /nfs/dbraw/zinc/59/00/62/350590062.db2.gz LKYWBHOVXBHKHT-UHFFFAOYSA-N 0 3 211.736 3.570 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CCCC(C)(C)C2)no1 ZINC000337529183 178232748 /nfs/dbraw/zinc/23/27/48/178232748.db2.gz CFFHOAUDEILRCV-NEPJUHHUSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCCC(C)(C)C2)no1 ZINC000337529184 178253589 /nfs/dbraw/zinc/25/35/89/178253589.db2.gz CFFHOAUDEILRCV-NWDGAFQWSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCCC(C)(C)C2)no1 ZINC000337529185 178258714 /nfs/dbraw/zinc/25/87/14/178258714.db2.gz CFFHOAUDEILRCV-RYUDHWBXSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CCCC(C)(C)C2)no1 ZINC000337529186 178231628 /nfs/dbraw/zinc/23/16/28/178231628.db2.gz CFFHOAUDEILRCV-VXGBXAGGSA-N 0 3 236.359 3.602 20 0 BHADHN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ncccc1C(C)C ZINC000337558146 171207225 /nfs/dbraw/zinc/20/72/25/171207225.db2.gz HTQFLSQCTGRBBL-DOMZBBRYSA-N 0 3 246.354 3.580 20 0 BHADHN Cc1cc([C@@H](C)NC2CCC(C)(C)CC2)no1 ZINC000337560645 178222881 /nfs/dbraw/zinc/22/28/81/178222881.db2.gz UZXFQQQGDHYFHR-LLVKDONJSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@H](C)NC2CCC(C)(C)CC2)no1 ZINC000337560646 178245114 /nfs/dbraw/zinc/24/51/14/178245114.db2.gz UZXFQQQGDHYFHR-NSHDSACASA-N 0 3 236.359 3.602 20 0 BHADHN CCC1CCC(N[C@@H](C)c2cc(C)on2)CC1 ZINC000337564921 385710556 /nfs/dbraw/zinc/71/05/56/385710556.db2.gz XMCOFAQKVAMXKK-HIFPTAJRSA-N 0 3 236.359 3.602 20 0 BHADHN CCC1CCC(N[C@H](C)c2cc(C)on2)CC1 ZINC000337564924 385711233 /nfs/dbraw/zinc/71/12/33/385711233.db2.gz XMCOFAQKVAMXKK-PNESKVBLSA-N 0 3 236.359 3.602 20 0 BHADHN Clc1ccc(SCCN2CCCC2)cc1 ZINC000337616353 385730482 /nfs/dbraw/zinc/73/04/82/385730482.db2.gz BAOWOKFRNRQDTR-UHFFFAOYSA-N 0 3 241.787 3.528 20 0 BHADHN CCC1(C)CCN([C@H](C)c2cccnc2)CC1 ZINC000337628425 385730296 /nfs/dbraw/zinc/73/02/96/385730296.db2.gz BQZWPVSJPBYODJ-CYBMUJFWSA-N 0 3 232.371 3.655 20 0 BHADHN CCC1(C)CCN([C@@H](C)c2cccnc2)CC1 ZINC000337628428 385730615 /nfs/dbraw/zinc/73/06/15/385730615.db2.gz BQZWPVSJPBYODJ-ZDUSSCGKSA-N 0 3 232.371 3.655 20 0 BHADHN CC(C)CC[C@@H](C)N[C@@H](C)c1ccncc1F ZINC000338011942 385879366 /nfs/dbraw/zinc/87/93/66/385879366.db2.gz KHOLZNRYTBGRIZ-NEPJUHHUSA-N 0 3 238.350 3.696 20 0 BHADHN CC(C)CC[C@H](C)N[C@H](C)c1ccncc1F ZINC000338011944 350660737 /nfs/dbraw/zinc/66/07/37/350660737.db2.gz KHOLZNRYTBGRIZ-NWDGAFQWSA-N 0 3 238.350 3.696 20 0 BHADHN CC(C)CC[C@H](C)N[C@@H](C)c1ccncc1F ZINC000338011946 350661010 /nfs/dbraw/zinc/66/10/10/350661010.db2.gz KHOLZNRYTBGRIZ-RYUDHWBXSA-N 0 3 238.350 3.696 20 0 BHADHN CC(C)CC[C@@H](C)N[C@H](C)c1ccncc1F ZINC000338011947 385879526 /nfs/dbraw/zinc/87/95/26/385879526.db2.gz KHOLZNRYTBGRIZ-VXGBXAGGSA-N 0 3 238.350 3.696 20 0 BHADHN C[C@@H](NC1CCCCCC1)c1ccncc1F ZINC000338019105 175861038 /nfs/dbraw/zinc/86/10/38/175861038.db2.gz OSLWUYPUSRJJTP-LLVKDONJSA-N 0 3 236.334 3.594 20 0 BHADHN C[C@H](NC1CCCCCC1)c1ccncc1F ZINC000338019108 385874898 /nfs/dbraw/zinc/87/48/98/385874898.db2.gz OSLWUYPUSRJJTP-NSHDSACASA-N 0 3 236.334 3.594 20 0 BHADHN CN(Cc1ccoc1)C[C@@H]1CCCC(F)(F)C1 ZINC000338234784 385932070 /nfs/dbraw/zinc/93/20/70/385932070.db2.gz BDRZTGFBKQOYPC-LLVKDONJSA-N 0 3 243.297 3.537 20 0 BHADHN CN(Cc1ccoc1)C[C@H]1CCCC(F)(F)C1 ZINC000338234788 385930359 /nfs/dbraw/zinc/93/03/59/385930359.db2.gz BDRZTGFBKQOYPC-NSHDSACASA-N 0 3 243.297 3.537 20 0 BHADHN Cc1cccc(CN(C)CCSC(C)C)c1 ZINC000338236325 179067905 /nfs/dbraw/zinc/06/79/05/179067905.db2.gz ZNMJYURZQAZWCQ-UHFFFAOYSA-N 0 3 237.412 3.568 20 0 BHADHN Cc1ccc(CN(C)CCSC(C)C)cc1 ZINC000338236941 385931854 /nfs/dbraw/zinc/93/18/54/385931854.db2.gz PKINMHLMGWDKFJ-UHFFFAOYSA-N 0 3 237.412 3.568 20 0 BHADHN CN(Cc1ccco1)C[C@@H]1CCCC(F)(F)C1 ZINC000338254409 385928705 /nfs/dbraw/zinc/92/87/05/385928705.db2.gz PZWQWNXKIPKKRI-LLVKDONJSA-N 0 3 243.297 3.537 20 0 BHADHN CN(Cc1ccco1)C[C@H]1CCCC(F)(F)C1 ZINC000338254412 385929033 /nfs/dbraw/zinc/92/90/33/385929033.db2.gz PZWQWNXKIPKKRI-NSHDSACASA-N 0 3 243.297 3.537 20 0 BHADHN CC(C)SCCN1Cc2ccccc2C[C@H]1C ZINC000338315530 167328718 /nfs/dbraw/zinc/32/87/18/167328718.db2.gz LBDGZCVKXUGIIB-CYBMUJFWSA-N 0 3 249.423 3.575 20 0 BHADHN CC(C)SCCN1Cc2ccccc2C[C@@H]1C ZINC000338315542 167328827 /nfs/dbraw/zinc/32/88/27/167328827.db2.gz LBDGZCVKXUGIIB-ZDUSSCGKSA-N 0 3 249.423 3.575 20 0 BHADHN CC(C)C[C@@H](C)CN[C@@H](C)c1ccncc1F ZINC000338374232 188017513 /nfs/dbraw/zinc/01/75/13/188017513.db2.gz UGPDZSKBPKAGGD-NEPJUHHUSA-N 0 3 238.350 3.554 20 0 BHADHN CC(C)C[C@H](C)CN[C@H](C)c1ccncc1F ZINC000338374234 385984475 /nfs/dbraw/zinc/98/44/75/385984475.db2.gz UGPDZSKBPKAGGD-NWDGAFQWSA-N 0 3 238.350 3.554 20 0 BHADHN CC(C)C[C@H](C)CN[C@@H](C)c1ccncc1F ZINC000338374235 188366808 /nfs/dbraw/zinc/36/68/08/188366808.db2.gz UGPDZSKBPKAGGD-RYUDHWBXSA-N 0 3 238.350 3.554 20 0 BHADHN CC(C)C[C@@H](C)CN[C@H](C)c1ccncc1F ZINC000338374236 188016781 /nfs/dbraw/zinc/01/67/81/188016781.db2.gz UGPDZSKBPKAGGD-VXGBXAGGSA-N 0 3 238.350 3.554 20 0 BHADHN C[C@@H](NCCCC(C)(C)C)c1ccncc1F ZINC000338375172 385983532 /nfs/dbraw/zinc/98/35/32/385983532.db2.gz VFPXPNSKTZYZHI-LLVKDONJSA-N 0 3 238.350 3.698 20 0 BHADHN C[C@H](NCCCC(C)(C)C)c1ccncc1F ZINC000338375173 385983138 /nfs/dbraw/zinc/98/31/38/385983138.db2.gz VFPXPNSKTZYZHI-NSHDSACASA-N 0 3 238.350 3.698 20 0 BHADHN CC(C)CN(Cc1cc(F)ccc1F)C1CC1 ZINC000338387554 350681764 /nfs/dbraw/zinc/68/17/64/350681764.db2.gz OVJNGXBNBJYFCV-UHFFFAOYSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)CN(Cc1cccc(F)c1F)C1CC1 ZINC000338391779 350682357 /nfs/dbraw/zinc/68/23/57/350682357.db2.gz LBAOYCKYJOJBDO-UHFFFAOYSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)CCCNc1cccc(CN(C)C)c1 ZINC000338423266 388475087 /nfs/dbraw/zinc/47/50/87/388475087.db2.gz JVRWUALIUHJYMS-UHFFFAOYSA-N 0 3 234.387 3.596 20 0 BHADHN CC[C@@H](NCCCC(C)C)c1c(C)noc1C ZINC000338444155 386011131 /nfs/dbraw/zinc/01/11/31/386011131.db2.gz LQOJWMYWBSQODZ-CYBMUJFWSA-N 0 3 238.375 3.768 20 0 BHADHN CC[C@H](NCCCC(C)C)c1c(C)noc1C ZINC000338444157 386010758 /nfs/dbraw/zinc/01/07/58/386010758.db2.gz LQOJWMYWBSQODZ-ZDUSSCGKSA-N 0 3 238.375 3.768 20 0 BHADHN Clc1ccsc1CN1CCCC12CCC2 ZINC000338542828 386035644 /nfs/dbraw/zinc/03/56/44/386035644.db2.gz GCAQZQYIUMXFNG-UHFFFAOYSA-N 0 3 241.787 3.920 20 0 BHADHN C[C@@H]1CCN(Cc2sccc2Cl)[C@H]1C ZINC000338546351 386038216 /nfs/dbraw/zinc/03/82/16/386038216.db2.gz GHKSXNHLRHMBCT-BDAKNGLRSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1sccc1Cl ZINC000338546352 177169228 /nfs/dbraw/zinc/16/92/28/177169228.db2.gz GHKSXNHLRHMBCT-DTWKUNHWSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H]1CCN(Cc2sccc2Cl)[C@H]1C ZINC000338546353 177169094 /nfs/dbraw/zinc/16/90/94/177169094.db2.gz GHKSXNHLRHMBCT-IUCAKERBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1CCN(Cc2sccc2Cl)[C@@H]1C ZINC000338546354 176179028 /nfs/dbraw/zinc/17/90/28/176179028.db2.gz GHKSXNHLRHMBCT-RKDXNWHRSA-N 0 3 229.776 3.632 20 0 BHADHN CC1(C)CCCN1Cc1sccc1Cl ZINC000338548699 350694995 /nfs/dbraw/zinc/69/49/95/350694995.db2.gz WXRPMRJTUWLEFR-UHFFFAOYSA-N 0 3 229.776 3.776 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1sccc1Cl ZINC000338548800 177187035 /nfs/dbraw/zinc/18/70/35/177187035.db2.gz YKPXZVQOASFEIK-DTORHVGOSA-N 0 3 229.776 3.774 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1sccc1Cl ZINC000338548801 177199817 /nfs/dbraw/zinc/19/98/17/177199817.db2.gz YKPXZVQOASFEIK-IUCAKERBSA-N 0 3 229.776 3.774 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1sccc1Cl ZINC000338548802 176199993 /nfs/dbraw/zinc/19/99/93/176199993.db2.gz YKPXZVQOASFEIK-RKDXNWHRSA-N 0 3 229.776 3.774 20 0 BHADHN C[C@H](NCc1ccco1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338686059 386102394 /nfs/dbraw/zinc/10/23/94/386102394.db2.gz CHAYJPUCRKXMGF-APHBMKBZSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@H](NCc1ccco1)[C@H]1C[C@H]1c1ccccc1 ZINC000338686060 386102416 /nfs/dbraw/zinc/10/24/16/386102416.db2.gz CHAYJPUCRKXMGF-MAZHCROVSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@H](NCc1ccco1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338686061 386101676 /nfs/dbraw/zinc/10/16/76/386101676.db2.gz CHAYJPUCRKXMGF-VBNZEHGJSA-N 0 3 241.334 3.561 20 0 BHADHN c1cncc(CN2CCC3(CCCCC3)CC2)c1 ZINC000338725200 386123163 /nfs/dbraw/zinc/12/31/63/386123163.db2.gz RVROLVJLZLXTNA-UHFFFAOYSA-N 0 3 244.382 3.628 20 0 BHADHN Cc1cc(CN2CCC3(CCCCC3)CC2)on1 ZINC000338729181 386123601 /nfs/dbraw/zinc/12/36/01/386123601.db2.gz UDIWRZNKZKBAAP-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN CCCCN(C)Cc1ccc(C(C)C)nc1C ZINC000338885910 386174360 /nfs/dbraw/zinc/17/43/60/386174360.db2.gz WXPNSLRTRCGELK-UHFFFAOYSA-N 0 3 234.387 3.745 20 0 BHADHN CCc1nc(C(C)C)ccc1CN(CC)CC ZINC000338896835 350718704 /nfs/dbraw/zinc/71/87/04/350718704.db2.gz OBXUTXNFYSYLCC-UHFFFAOYSA-N 0 3 234.387 3.609 20 0 BHADHN Cc1nc(C(C)C)ccc1CN1CCCC[C@H]1C ZINC000338897404 386172606 /nfs/dbraw/zinc/17/26/06/386172606.db2.gz AJJCDARQHYMIIL-CYBMUJFWSA-N 0 3 246.398 3.888 20 0 BHADHN Cc1nc(C(C)C)ccc1CN1CCCC[C@@H]1C ZINC000338897405 386171319 /nfs/dbraw/zinc/17/13/19/386171319.db2.gz AJJCDARQHYMIIL-ZDUSSCGKSA-N 0 3 246.398 3.888 20 0 BHADHN Cc1nc(C(C)C)ccc1CN1CCC(C)CC1 ZINC000338897444 386171593 /nfs/dbraw/zinc/17/15/93/386171593.db2.gz BEPXFRQZDMNRPP-UHFFFAOYSA-N 0 3 246.398 3.745 20 0 BHADHN C[C@H]1CC[C@H](N(C)Cc2ccc(F)cc2F)C1 ZINC000338900237 177204023 /nfs/dbraw/zinc/20/40/23/177204023.db2.gz DXFLKBYNNZZVOK-GWCFXTLKSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CC[C@@H](N(C)Cc2ccc(F)cc2F)C1 ZINC000338900238 177191183 /nfs/dbraw/zinc/19/11/83/177191183.db2.gz DXFLKBYNNZZVOK-GXFFZTMASA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@H](N(C)Cc2ccc(F)cc2F)C1 ZINC000338900239 176228765 /nfs/dbraw/zinc/22/87/65/176228765.db2.gz DXFLKBYNNZZVOK-MFKMUULPSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(F)cc2F)C1 ZINC000338900240 176207252 /nfs/dbraw/zinc/20/72/52/176207252.db2.gz DXFLKBYNNZZVOK-ZWNOBZJWSA-N 0 3 239.309 3.585 20 0 BHADHN CCc1nc(C(C)C)ccc1CN(CC)C1CC1 ZINC000338905749 350720039 /nfs/dbraw/zinc/72/00/39/350720039.db2.gz SBYFQLFEROLEFQ-UHFFFAOYSA-N 0 3 246.398 3.752 20 0 BHADHN Cc1nc(C(C)C)ccc1CN1CCC[C@@H](C)C1 ZINC000338907982 386180294 /nfs/dbraw/zinc/18/02/94/386180294.db2.gz SICKBISMJSUXQH-CYBMUJFWSA-N 0 3 246.398 3.745 20 0 BHADHN Cc1nc(C(C)C)ccc1CN1CCC[C@H](C)C1 ZINC000338907983 386179681 /nfs/dbraw/zinc/17/96/81/386179681.db2.gz SICKBISMJSUXQH-ZDUSSCGKSA-N 0 3 246.398 3.745 20 0 BHADHN CCc1nc(C(C)C)ccc1CN1CCCCC1 ZINC000338909028 350719098 /nfs/dbraw/zinc/71/90/98/350719098.db2.gz QNXQBDSUARRUNP-UHFFFAOYSA-N 0 3 246.398 3.753 20 0 BHADHN Cc1nc(C(C)C)ccc1CN(C(C)C)C1CC1 ZINC000338909373 386173506 /nfs/dbraw/zinc/17/35/06/386173506.db2.gz ZGKSIAQTIGMDDD-UHFFFAOYSA-N 0 3 246.398 3.886 20 0 BHADHN CCN(Cc1ccc(C(C)C)nc1C)C(C)C ZINC000338921537 350720963 /nfs/dbraw/zinc/72/09/63/350720963.db2.gz UMIVUODITQCQGC-UHFFFAOYSA-N 0 3 234.387 3.744 20 0 BHADHN CN(Cc1ccoc1)[C@H]1C=CCCCCC1 ZINC000338926543 386180019 /nfs/dbraw/zinc/18/00/19/386180019.db2.gz PQIDESIYLSHSOF-AWEZNQCLSA-N 0 3 219.328 3.600 20 0 BHADHN CN(Cc1ccoc1)[C@@H]1C=CCCCCC1 ZINC000338926547 386180377 /nfs/dbraw/zinc/18/03/77/386180377.db2.gz PQIDESIYLSHSOF-CQSZACIVSA-N 0 3 219.328 3.600 20 0 BHADHN CCc1nc(C(C)C)ccc1CN(C)CC1CC1 ZINC000338929924 350720941 /nfs/dbraw/zinc/72/09/41/350720941.db2.gz RYWUAJNTOGYLCN-UHFFFAOYSA-N 0 3 246.398 3.609 20 0 BHADHN CCCN(CC)Cc1ccc(C(C)C)nc1C ZINC000338933489 169129506 /nfs/dbraw/zinc/12/95/06/169129506.db2.gz KIQYIRXSWPEXJO-UHFFFAOYSA-N 0 3 234.387 3.745 20 0 BHADHN Cc1nc(C(C)C)ccc1CN(C)CC(C)C ZINC000338933724 386181791 /nfs/dbraw/zinc/18/17/91/386181791.db2.gz MKHQFHSSOOAKJQ-UHFFFAOYSA-N 0 3 234.387 3.601 20 0 BHADHN CCCN(C)Cc1ccc(C(C)C)nc1CC ZINC000338941299 169081098 /nfs/dbraw/zinc/08/10/98/169081098.db2.gz YDCUNEHDIJNMOW-UHFFFAOYSA-N 0 3 234.387 3.609 20 0 BHADHN CCc1nc(C(C)C)ccc1CN1CC[C@@H](C)C1 ZINC000338955578 350721867 /nfs/dbraw/zinc/72/18/67/350721867.db2.gz GFWZCANVSUKPJQ-CYBMUJFWSA-N 0 3 246.398 3.609 20 0 BHADHN CCc1nc(C(C)C)ccc1CN1CC[C@H](C)C1 ZINC000338955579 350721969 /nfs/dbraw/zinc/72/19/69/350721969.db2.gz GFWZCANVSUKPJQ-ZDUSSCGKSA-N 0 3 246.398 3.609 20 0 BHADHN CCc1ccc(CN2CCC(C)(CC)CC2)nc1 ZINC000338955594 386183954 /nfs/dbraw/zinc/18/39/54/386183954.db2.gz GPQTUQQWGMJRBN-UHFFFAOYSA-N 0 3 246.398 3.656 20 0 BHADHN CCCN(Cc1ccc(C(C)C)nc1C)C1CC1 ZINC000338964245 169176185 /nfs/dbraw/zinc/17/61/85/169176185.db2.gz PSOXVZTYGYFTIM-UHFFFAOYSA-N 0 3 246.398 3.888 20 0 BHADHN Cc1nc(C(C)C)ccc1CN(C)CC1CCC1 ZINC000338997151 386197543 /nfs/dbraw/zinc/19/75/43/386197543.db2.gz TZBMCEVNTKTKJZ-UHFFFAOYSA-N 0 3 246.398 3.745 20 0 BHADHN CCN(Cc1ccc(C(C)C)nc1C)C1CCC1 ZINC000339000626 350725655 /nfs/dbraw/zinc/72/56/55/350725655.db2.gz BQFMVCBUHIWTPS-UHFFFAOYSA-N 0 3 246.398 3.888 20 0 BHADHN CC(C)CN(Cc1ccc(F)cc1F)C1CC1 ZINC000339005102 350725679 /nfs/dbraw/zinc/72/56/79/350725679.db2.gz JXUNYBQUUXOOEU-UHFFFAOYSA-N 0 3 239.309 3.585 20 0 BHADHN CCc1nc(C(C)C)ccc1CN(C)C1CCC1 ZINC000339006028 350725641 /nfs/dbraw/zinc/72/56/41/350725641.db2.gz OELDIZKFXQOQCC-UHFFFAOYSA-N 0 3 246.398 3.752 20 0 BHADHN Cc1ccc(CN(CCC(C)C)C2CC2)o1 ZINC000339006850 386204867 /nfs/dbraw/zinc/20/48/67/386204867.db2.gz FMDHOLXUDHRKMH-UHFFFAOYSA-N 0 3 221.344 3.599 20 0 BHADHN COC1(CCN2Cc3ccccc3[C@H]2C)CCC1 ZINC000339009799 386210917 /nfs/dbraw/zinc/21/09/17/386210917.db2.gz KDUXGWPTNSVOFZ-CYBMUJFWSA-N 0 3 245.366 3.522 20 0 BHADHN COC1(CCN2Cc3ccccc3[C@@H]2C)CCC1 ZINC000339009801 386210818 /nfs/dbraw/zinc/21/08/18/386210818.db2.gz KDUXGWPTNSVOFZ-ZDUSSCGKSA-N 0 3 245.366 3.522 20 0 BHADHN CCc1nc(C(C)C)ccc1CN1CCC[C@H]1C ZINC000339010081 350727198 /nfs/dbraw/zinc/72/71/98/350727198.db2.gz ILHTXOBXJHIDNW-CYBMUJFWSA-N 0 3 246.398 3.752 20 0 BHADHN CCc1nc(C(C)C)ccc1CN1CCC[C@@H]1C ZINC000339010084 350727281 /nfs/dbraw/zinc/72/72/81/350727281.db2.gz ILHTXOBXJHIDNW-ZDUSSCGKSA-N 0 3 246.398 3.752 20 0 BHADHN CCc1ccc(CN2CCC[C@](C)(CC)C2)nc1 ZINC000339010857 386209330 /nfs/dbraw/zinc/20/93/30/386209330.db2.gz XIJDRXMNQMQFSH-INIZCTEOSA-N 0 3 246.398 3.656 20 0 BHADHN CCc1ccc(CN2CCC[C@@](C)(CC)C2)nc1 ZINC000339010859 386209056 /nfs/dbraw/zinc/20/90/56/386209056.db2.gz XIJDRXMNQMQFSH-MRXNPFEDSA-N 0 3 246.398 3.656 20 0 BHADHN Cc1nc(C(C)C)ccc1CN1CCC12CCC2 ZINC000339013621 386212988 /nfs/dbraw/zinc/21/29/88/386212988.db2.gz OECHPFXWEKOFMX-UHFFFAOYSA-N 0 3 244.382 3.642 20 0 BHADHN CCc1ccc(CN2CCC(CC)(CC)C2)nc1 ZINC000339014506 386213119 /nfs/dbraw/zinc/21/31/19/386213119.db2.gz PGGGYCBKRZPYJS-UHFFFAOYSA-N 0 3 246.398 3.656 20 0 BHADHN Cc1nc(C(C)C)ccc1CN1CCC(C)(C)C1 ZINC000339016231 386211761 /nfs/dbraw/zinc/21/17/61/386211761.db2.gz ZZDMOCXQMSQNBK-UHFFFAOYSA-N 0 3 246.398 3.745 20 0 BHADHN CCN(Cc1cc(Cl)ccc1OC)C(C)C ZINC000339031295 350728344 /nfs/dbraw/zinc/72/83/44/350728344.db2.gz DSHAJJVTKGNNBB-UHFFFAOYSA-N 0 3 241.762 3.579 20 0 BHADHN CC[C@@H](C)N(C)Cc1ccc(C(C)C)nc1C ZINC000339031660 386216892 /nfs/dbraw/zinc/21/68/92/386216892.db2.gz PNBUXSQNQDRQKL-GFCCVEGCSA-N 0 3 234.387 3.744 20 0 BHADHN CC[C@H](C)N(C)Cc1ccc(C(C)C)nc1C ZINC000339031662 171308554 /nfs/dbraw/zinc/30/85/54/171308554.db2.gz PNBUXSQNQDRQKL-LBPRGKRZSA-N 0 3 234.387 3.744 20 0 BHADHN Cc1cccc(CN(C)[C@H]2C=CCCCCC2)n1 ZINC000339038282 179068527 /nfs/dbraw/zinc/06/85/27/179068527.db2.gz HKCNKASCVPVMJX-INIZCTEOSA-N 0 3 244.382 3.711 20 0 BHADHN Cc1cccc(CN(C)[C@@H]2C=CCCCCC2)n1 ZINC000339038283 179070567 /nfs/dbraw/zinc/07/05/67/179070567.db2.gz HKCNKASCVPVMJX-MRXNPFEDSA-N 0 3 244.382 3.711 20 0 BHADHN Cc1nc(C(C)C)ccc1CN(C)CCC1CC1 ZINC000339044175 386219237 /nfs/dbraw/zinc/21/92/37/386219237.db2.gz LASCCYDAJZELDL-UHFFFAOYSA-N 0 3 246.398 3.745 20 0 BHADHN CC1=CCN(Cc2ccc(C(C)C)nc2C)CC1 ZINC000339058369 168116313 /nfs/dbraw/zinc/11/63/13/168116313.db2.gz ZZKAYDDBSDEIMG-UHFFFAOYSA-N 0 3 244.382 3.665 20 0 BHADHN CCN(Cc1ccncc1)[C@H]1C=CCCCCC1 ZINC000339059915 350730654 /nfs/dbraw/zinc/73/06/54/350730654.db2.gz BXQJTTWZEFETBR-INIZCTEOSA-N 0 3 244.382 3.792 20 0 BHADHN CCN(Cc1ccncc1)[C@@H]1C=CCCCCC1 ZINC000339059916 350730314 /nfs/dbraw/zinc/73/03/14/350730314.db2.gz BXQJTTWZEFETBR-MRXNPFEDSA-N 0 3 244.382 3.792 20 0 BHADHN CCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000339089939 169176284 /nfs/dbraw/zinc/17/62/84/169176284.db2.gz DYSQFFSIOBBQAJ-BXUZGUMPSA-N 0 3 233.355 3.777 20 0 BHADHN CCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000339089942 169175534 /nfs/dbraw/zinc/17/55/34/169175534.db2.gz DYSQFFSIOBBQAJ-RISCZKNCSA-N 0 3 233.355 3.777 20 0 BHADHN Cc1nc(C(C)C)ccc1CN(C)[C@H]1CC1(C)C ZINC000339134398 386264653 /nfs/dbraw/zinc/26/46/53/386264653.db2.gz VHRLYQBMYVHWOF-HNNXBMFYSA-N 0 3 246.398 3.744 20 0 BHADHN Cc1nc(C(C)C)ccc1CN(C)[C@@H]1CC1(C)C ZINC000339134402 386265063 /nfs/dbraw/zinc/26/50/63/386265063.db2.gz VHRLYQBMYVHWOF-OAHLLOKOSA-N 0 3 246.398 3.744 20 0 BHADHN CCc1ccc(CN(C)[C@H]2CCC(C)(C)C2)nc1 ZINC000339142830 386260917 /nfs/dbraw/zinc/26/09/17/386260917.db2.gz ABGLXVPVMFYXNX-HNNXBMFYSA-N 0 3 246.398 3.655 20 0 BHADHN CCc1ccc(CN(C)[C@@H]2CCC(C)(C)C2)nc1 ZINC000339142831 386262011 /nfs/dbraw/zinc/26/20/11/386262011.db2.gz ABGLXVPVMFYXNX-OAHLLOKOSA-N 0 3 246.398 3.655 20 0 BHADHN CCCCCN1CCCC[C@H]1c1nccn1CC ZINC000339149386 386273765 /nfs/dbraw/zinc/27/37/65/386273765.db2.gz WQVKOMPAYCDDAK-AWEZNQCLSA-N 0 3 249.402 3.620 20 0 BHADHN CCCCCN1CCCC[C@@H]1c1nccn1CC ZINC000339149387 386272743 /nfs/dbraw/zinc/27/27/43/386272743.db2.gz WQVKOMPAYCDDAK-CQSZACIVSA-N 0 3 249.402 3.620 20 0 BHADHN CC1=CCCN(Cc2ccc(C(C)C)nc2C)C1 ZINC000339155285 168100523 /nfs/dbraw/zinc/10/05/23/168100523.db2.gz QVWCSHCRIANNRQ-UHFFFAOYSA-N 0 3 244.382 3.665 20 0 BHADHN Cc1sccc1CNCc1ccc(C)c(F)c1 ZINC000339171523 386274340 /nfs/dbraw/zinc/27/43/40/386274340.db2.gz JNVCSABCHBKLAF-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN CCc1nocc1CNCCCCC(C)(C)C ZINC000339227654 172100522 /nfs/dbraw/zinc/10/05/22/172100522.db2.gz AGLDEFWCTKIGJS-UHFFFAOYSA-N 0 3 238.375 3.543 20 0 BHADHN CCN1CC=C(c2c[nH]c3cc(C)ccc23)CC1 ZINC000339283119 350746173 /nfs/dbraw/zinc/74/61/73/350746173.db2.gz MRLYKSOSWMASBO-UHFFFAOYSA-N 0 3 240.350 3.585 20 0 BHADHN CCc1nocc1CNCC(CC)(CC)CC ZINC000339297546 172098331 /nfs/dbraw/zinc/09/83/31/172098331.db2.gz VUBSNIICUWHLAM-UHFFFAOYSA-N 0 3 238.375 3.543 20 0 BHADHN Cc1sccc1CNc1cc(C)cc(C)n1 ZINC000339318753 388482072 /nfs/dbraw/zinc/48/20/72/388482072.db2.gz VGEMBDBIBSNFGJ-UHFFFAOYSA-N 0 3 232.352 3.680 20 0 BHADHN Cc1sccc1CNCCSCC(C)C ZINC000339326900 384983834 /nfs/dbraw/zinc/98/38/34/384983834.db2.gz UJLNXZAMGVUMSV-UHFFFAOYSA-N 0 3 243.441 3.535 20 0 BHADHN Cc1nocc1CNCC(C)(C)C1=CCCCC1 ZINC000339354034 386388575 /nfs/dbraw/zinc/38/85/75/386388575.db2.gz DYPGUYFPFUPQOB-UHFFFAOYSA-N 0 3 248.370 3.599 20 0 BHADHN Cc1nocc1CNCC[C@@H](C)CC(C)(C)C ZINC000339364230 386386436 /nfs/dbraw/zinc/38/64/36/386386436.db2.gz FQEBYYBAOLEJQU-LLVKDONJSA-N 0 3 238.375 3.535 20 0 BHADHN Cc1nocc1CNCC[C@H](C)CC(C)(C)C ZINC000339364233 386387437 /nfs/dbraw/zinc/38/74/37/386387437.db2.gz FQEBYYBAOLEJQU-NSHDSACASA-N 0 3 238.375 3.535 20 0 BHADHN c1cc(CNCc2cc3ccccc3s2)c[nH]1 ZINC000339415661 386418126 /nfs/dbraw/zinc/41/81/26/386418126.db2.gz JDJQKUHKSLHGQE-UHFFFAOYSA-N 0 3 242.347 3.519 20 0 BHADHN C[C@@]1(CNCc2ccco2)C[C@@H]1c1ccccc1 ZINC000339451720 386436367 /nfs/dbraw/zinc/43/63/67/386436367.db2.gz WIAQNWFKQYVOQG-CVEARBPZSA-N 0 3 241.334 3.563 20 0 BHADHN C[C@@]1(CNCc2ccco2)C[C@H]1c1ccccc1 ZINC000339451721 386436453 /nfs/dbraw/zinc/43/64/53/386436453.db2.gz WIAQNWFKQYVOQG-HOTGVXAUSA-N 0 3 241.334 3.563 20 0 BHADHN C[C@]1(CNCc2ccco2)C[C@@H]1c1ccccc1 ZINC000339451724 386435791 /nfs/dbraw/zinc/43/57/91/386435791.db2.gz WIAQNWFKQYVOQG-HZPDHXFCSA-N 0 3 241.334 3.563 20 0 BHADHN C[C@]1(CNCc2ccco2)C[C@H]1c1ccccc1 ZINC000339451726 386436755 /nfs/dbraw/zinc/43/67/55/386436755.db2.gz WIAQNWFKQYVOQG-JKSUJKDBSA-N 0 3 241.334 3.563 20 0 BHADHN Cc1ccc(CNC2CC(C(C)(C)C)C2)o1 ZINC000339463351 388483643 /nfs/dbraw/zinc/48/36/43/388483643.db2.gz CQCNLYBFUHIAEI-UHFFFAOYSA-N 0 3 221.344 3.502 20 0 BHADHN CC(C)c1ncc(CNC2(C(C)C)CC2)s1 ZINC000339500567 385006260 /nfs/dbraw/zinc/00/62/60/385006260.db2.gz BSAREVZIHTUYQO-UHFFFAOYSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1cnc(CNC2(C(C)C)CC2)s1 ZINC000339500867 188191982 /nfs/dbraw/zinc/19/19/82/188191982.db2.gz CIPFENOSXWOVIR-UHFFFAOYSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)C1(NCc2ccsc2Cl)CC1 ZINC000339504333 388483750 /nfs/dbraw/zinc/48/37/50/388483750.db2.gz HZJJVEIUCHZXSI-UHFFFAOYSA-N 0 3 229.776 3.680 20 0 BHADHN Cc1oc2ccccc2c1CN[C@H]1CCC[C@@H]1F ZINC000339585716 386488471 /nfs/dbraw/zinc/48/84/71/386488471.db2.gz ZOSGWOMIHSKYKE-KBPBESRZSA-N 0 3 247.313 3.721 20 0 BHADHN Cc1oc2ccccc2c1CN[C@H]1CCC[C@H]1F ZINC000339585717 386489086 /nfs/dbraw/zinc/48/90/86/386489086.db2.gz ZOSGWOMIHSKYKE-KGLIPLIRSA-N 0 3 247.313 3.721 20 0 BHADHN Cc1oc2ccccc2c1CN[C@@H]1CCC[C@@H]1F ZINC000339585718 386487589 /nfs/dbraw/zinc/48/75/89/386487589.db2.gz ZOSGWOMIHSKYKE-UONOGXRCSA-N 0 3 247.313 3.721 20 0 BHADHN Cc1oc2ccccc2c1CN[C@@H]1CCC[C@H]1F ZINC000339585719 386488488 /nfs/dbraw/zinc/48/84/88/386488488.db2.gz ZOSGWOMIHSKYKE-ZIAGYGMSSA-N 0 3 247.313 3.721 20 0 BHADHN Cc1cc(CN2CC=C(C)CC2)c(C)s1 ZINC000339622300 168115293 /nfs/dbraw/zinc/11/52/93/168115293.db2.gz GSQKASFNWZMPDH-UHFFFAOYSA-N 0 3 221.369 3.517 20 0 BHADHN CSc1ccc(CN2CC=C(C)CC2)cc1 ZINC000339625550 386491613 /nfs/dbraw/zinc/49/16/13/386491613.db2.gz JWNZQCHXFFABAT-UHFFFAOYSA-N 0 3 233.380 3.561 20 0 BHADHN CCCC[C@H](C)N(CCCC)Cc1ncccn1 ZINC000339646822 350771345 /nfs/dbraw/zinc/77/13/45/350771345.db2.gz JIMYEPZABKADCL-AWEZNQCLSA-N 0 3 249.402 3.657 20 0 BHADHN CCCC[C@@H](C)N(CCCC)Cc1ncccn1 ZINC000339646823 350771386 /nfs/dbraw/zinc/77/13/86/350771386.db2.gz JIMYEPZABKADCL-CQSZACIVSA-N 0 3 249.402 3.657 20 0 BHADHN FC[C@H]1CCCN1Cc1csc2ccccc12 ZINC000339667536 386511169 /nfs/dbraw/zinc/51/11/69/386511169.db2.gz SNSNYKOHSVXCJH-GFCCVEGCSA-N 0 3 249.354 3.835 20 0 BHADHN FC[C@@H]1CCCN1Cc1csc2ccccc12 ZINC000339667537 386512211 /nfs/dbraw/zinc/51/22/11/386512211.db2.gz SNSNYKOHSVXCJH-LBPRGKRZSA-N 0 3 249.354 3.835 20 0 BHADHN Cc1ccncc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000339733797 386550933 /nfs/dbraw/zinc/55/09/33/386550933.db2.gz KUSJMJWTVICXAA-GDBMZVCRSA-N 0 3 244.382 3.545 20 0 BHADHN Cc1ccncc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000339733798 386550652 /nfs/dbraw/zinc/55/06/52/386550652.db2.gz KUSJMJWTVICXAA-GOEBONIOSA-N 0 3 244.382 3.545 20 0 BHADHN Cc1ccncc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000339733799 386551026 /nfs/dbraw/zinc/55/10/26/386551026.db2.gz KUSJMJWTVICXAA-HOCLYGCPSA-N 0 3 244.382 3.545 20 0 BHADHN Cc1ccncc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000339733800 386550366 /nfs/dbraw/zinc/55/03/66/386550366.db2.gz KUSJMJWTVICXAA-ZBFHGGJFSA-N 0 3 244.382 3.545 20 0 BHADHN C[C@H](SCCN(C)C)c1ccccc1Cl ZINC000339744191 177026844 /nfs/dbraw/zinc/02/68/44/177026844.db2.gz ZWMIEJDRWDGXHK-JTQLQIEISA-N 0 3 243.803 3.696 20 0 BHADHN C[C@@H](SCCN(C)C)c1ccccc1Cl ZINC000339744192 176008336 /nfs/dbraw/zinc/00/83/36/176008336.db2.gz ZWMIEJDRWDGXHK-SNVBAGLBSA-N 0 3 243.803 3.696 20 0 BHADHN C[C@H](SCCN(C)C)c1cccc(Cl)c1 ZINC000339745614 177027024 /nfs/dbraw/zinc/02/70/24/177027024.db2.gz YCJNAOPPXJKYBX-JTQLQIEISA-N 0 3 243.803 3.696 20 0 BHADHN C[C@@H](SCCN(C)C)c1cccc(Cl)c1 ZINC000339745615 176008491 /nfs/dbraw/zinc/00/84/91/176008491.db2.gz YCJNAOPPXJKYBX-SNVBAGLBSA-N 0 3 243.803 3.696 20 0 BHADHN CN(Cc1ccccc1C(F)(F)F)C1CCC1 ZINC000339863225 386716452 /nfs/dbraw/zinc/71/64/52/386716452.db2.gz RGMJAXCCXWBDCO-UHFFFAOYSA-N 0 3 243.272 3.690 20 0 BHADHN CCN(Cc1ccccc1Cl)C1CCC1 ZINC000339864330 350848953 /nfs/dbraw/zinc/84/89/53/350848953.db2.gz CSUYSXFPEZPMOH-UHFFFAOYSA-N 0 3 223.747 3.714 20 0 BHADHN CC(C)CSCCN(C)Cc1ccccc1 ZINC000340158995 187344072 /nfs/dbraw/zinc/34/40/72/187344072.db2.gz RBKKBKVESRFQEH-UHFFFAOYSA-N 0 3 237.412 3.508 20 0 BHADHN C[C@@H](NCCC1=CCCCC1)c1ccncc1F ZINC000340162281 175873061 /nfs/dbraw/zinc/87/30/61/175873061.db2.gz GLSXJAJGQIQTET-GFCCVEGCSA-N 0 3 248.345 3.762 20 0 BHADHN C[C@H](NCCC1=CCCCC1)c1ccncc1F ZINC000340162287 385812857 /nfs/dbraw/zinc/81/28/57/385812857.db2.gz GLSXJAJGQIQTET-LBPRGKRZSA-N 0 3 248.345 3.762 20 0 BHADHN Cc1cccc(CN2CC=C(C(C)(C)C)CC2)n1 ZINC000340187834 179074046 /nfs/dbraw/zinc/07/40/46/179074046.db2.gz CSHUGPJSBQMNNJ-UHFFFAOYSA-N 0 3 244.382 3.568 20 0 BHADHN C[C@H](c1cccnc1)N1CC=C(C(C)(C)C)CC1 ZINC000340187976 177044410 /nfs/dbraw/zinc/04/44/10/177044410.db2.gz BOKBTDLPGFLENJ-CYBMUJFWSA-N 0 3 244.382 3.821 20 0 BHADHN C[C@@H](c1cccnc1)N1CC=C(C(C)(C)C)CC1 ZINC000340187978 176028563 /nfs/dbraw/zinc/02/85/63/176028563.db2.gz BOKBTDLPGFLENJ-ZDUSSCGKSA-N 0 3 244.382 3.821 20 0 BHADHN Cc1ccncc1CN1CC=C(C(C)(C)C)CC1 ZINC000340188139 385845620 /nfs/dbraw/zinc/84/56/20/385845620.db2.gz GXLMWQKZLHIKOV-UHFFFAOYSA-N 0 3 244.382 3.568 20 0 BHADHN C[C@H](c1ccccn1)N1CC=C(C(C)(C)C)CC1 ZINC000340191239 177043872 /nfs/dbraw/zinc/04/38/72/177043872.db2.gz OZQWYIHDNVAXOA-CYBMUJFWSA-N 0 3 244.382 3.821 20 0 BHADHN C[C@@H](c1ccccn1)N1CC=C(C(C)(C)C)CC1 ZINC000340191240 176028349 /nfs/dbraw/zinc/02/83/49/176028349.db2.gz OZQWYIHDNVAXOA-ZDUSSCGKSA-N 0 3 244.382 3.821 20 0 BHADHN CCOC[C@@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000340231440 386044731 /nfs/dbraw/zinc/04/47/31/386044731.db2.gz PPPWXHOJXFXCFP-CHWSQXEVSA-N 0 3 247.382 3.640 20 0 BHADHN CCOC[C@@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000340231441 386043332 /nfs/dbraw/zinc/04/33/32/386043332.db2.gz PPPWXHOJXFXCFP-OLZOCXBDSA-N 0 3 247.382 3.640 20 0 BHADHN CCOC[C@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000340231442 170448302 /nfs/dbraw/zinc/44/83/02/170448302.db2.gz PPPWXHOJXFXCFP-QWHCGFSZSA-N 0 3 247.382 3.640 20 0 BHADHN CCOC[C@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000340231444 386043811 /nfs/dbraw/zinc/04/38/11/386043811.db2.gz PPPWXHOJXFXCFP-STQMWFEESA-N 0 3 247.382 3.640 20 0 BHADHN CC[C@@H](NCC1(C)CCC1)c1c(C)noc1C ZINC000340243484 170891925 /nfs/dbraw/zinc/89/19/25/170891925.db2.gz QONHEDNOJIGTMN-GFCCVEGCSA-N 0 3 236.359 3.522 20 0 BHADHN CC[C@H](NCC1(C)CCC1)c1c(C)noc1C ZINC000340243485 386081528 /nfs/dbraw/zinc/08/15/28/386081528.db2.gz QONHEDNOJIGTMN-LBPRGKRZSA-N 0 3 236.359 3.522 20 0 BHADHN CN(Cc1ccc(F)c(F)c1)CC1(C)CCC1 ZINC000340284649 172850883 /nfs/dbraw/zinc/85/08/83/172850883.db2.gz QNVXAJZBHVCSRL-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1ccncc1F ZINC000340301062 171295763 /nfs/dbraw/zinc/29/57/63/171295763.db2.gz FDEJOYISVHQDIU-QJPTWQEYSA-N 0 3 238.350 3.696 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1ccncc1F ZINC000340301063 171298031 /nfs/dbraw/zinc/29/80/31/171298031.db2.gz FDEJOYISVHQDIU-SDDRHHMPSA-N 0 3 238.350 3.696 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1ccncc1F ZINC000340301064 171298756 /nfs/dbraw/zinc/29/87/56/171298756.db2.gz FDEJOYISVHQDIU-SRVKXCTJSA-N 0 3 238.350 3.696 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1ccncc1F ZINC000340301065 171295377 /nfs/dbraw/zinc/29/53/77/171295377.db2.gz FDEJOYISVHQDIU-TUAOUCFPSA-N 0 3 238.350 3.696 20 0 BHADHN CC(C)OCCN[C@H](C)c1cccc(C2CC2)c1 ZINC000340362233 167244100 /nfs/dbraw/zinc/24/41/00/167244100.db2.gz XSCREGDWSKLVMH-CYBMUJFWSA-N 0 3 247.382 3.640 20 0 BHADHN CC(C)OCCN[C@@H](C)c1cccc(C2CC2)c1 ZINC000340362234 167245223 /nfs/dbraw/zinc/24/52/23/167245223.db2.gz XSCREGDWSKLVMH-ZDUSSCGKSA-N 0 3 247.382 3.640 20 0 BHADHN C[C@H](NC1CC(C(C)(C)C)C1)c1ccccn1 ZINC000340451132 385801836 /nfs/dbraw/zinc/80/18/36/385801836.db2.gz MIQLKYYLYSRIIC-HIFPTAJRSA-N 0 3 232.371 3.557 20 0 BHADHN C[C@@H](NC1CC(C(C)(C)C)C1)c1ccccn1 ZINC000340451133 385802636 /nfs/dbraw/zinc/80/26/36/385802636.db2.gz MIQLKYYLYSRIIC-PNESKVBLSA-N 0 3 232.371 3.557 20 0 BHADHN C[C@@H](NC1CC(C(C)(C)C)C1)c1nccs1 ZINC000340452530 388491169 /nfs/dbraw/zinc/49/11/69/388491169.db2.gz SCPUDSNQVJHUCC-KPPDAEKUSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](NC1CC(C(C)(C)C)C1)c1nccs1 ZINC000340452531 176826383 /nfs/dbraw/zinc/82/63/83/176826383.db2.gz SCPUDSNQVJHUCC-WHXUTIOJSA-N 0 3 238.400 3.618 20 0 BHADHN Cc1ccc([C@@H](NCC[C@H](C)F)C2CCC2)o1 ZINC000340457605 385830075 /nfs/dbraw/zinc/83/00/75/385830075.db2.gz FSLKZGDEZOUXQO-HZMBPMFUSA-N 0 3 239.334 3.767 20 0 BHADHN Cc1ccc([C@H](NCC[C@H](C)F)C2CCC2)o1 ZINC000340457606 385829911 /nfs/dbraw/zinc/82/99/11/385829911.db2.gz FSLKZGDEZOUXQO-IINYFYTJSA-N 0 3 239.334 3.767 20 0 BHADHN Cc1ccc([C@H](NCC[C@@H](C)F)C2CCC2)o1 ZINC000340457607 385829290 /nfs/dbraw/zinc/82/92/90/385829290.db2.gz FSLKZGDEZOUXQO-QMTHXVAHSA-N 0 3 239.334 3.767 20 0 BHADHN Cc1ccc([C@@H](NCC[C@@H](C)F)C2CCC2)o1 ZINC000340457608 385829626 /nfs/dbraw/zinc/82/96/26/385829626.db2.gz FSLKZGDEZOUXQO-YGRLFVJLSA-N 0 3 239.334 3.767 20 0 BHADHN CC[C@H](NCC[C@H](C)F)c1ccccc1F ZINC000340458989 385065157 /nfs/dbraw/zinc/06/51/57/385065157.db2.gz FBDJXYSLHHDFIA-GWCFXTLKSA-N 0 3 227.298 3.615 20 0 BHADHN CC[C@@H](NCC[C@H](C)F)c1ccccc1F ZINC000340459008 385068300 /nfs/dbraw/zinc/06/83/00/385068300.db2.gz FBDJXYSLHHDFIA-GXFFZTMASA-N 0 3 227.298 3.615 20 0 BHADHN CC[C@H](NCC[C@@H](C)F)c1ccccc1F ZINC000340459011 385068164 /nfs/dbraw/zinc/06/81/64/385068164.db2.gz FBDJXYSLHHDFIA-MFKMUULPSA-N 0 3 227.298 3.615 20 0 BHADHN CC[C@@H](NCC[C@@H](C)F)c1ccccc1F ZINC000340459016 385067774 /nfs/dbraw/zinc/06/77/74/385067774.db2.gz FBDJXYSLHHDFIA-ZWNOBZJWSA-N 0 3 227.298 3.615 20 0 BHADHN CC(C)C[C@@H](NCC[C@H](C)F)c1ccccn1 ZINC000340459178 385843552 /nfs/dbraw/zinc/84/35/52/385843552.db2.gz GAGQNVSHAZXUCV-GXTWGEPZSA-N 0 3 238.350 3.507 20 0 BHADHN CC(C)C[C@H](NCC[C@H](C)F)c1ccccn1 ZINC000340459192 385843616 /nfs/dbraw/zinc/84/36/16/385843616.db2.gz GAGQNVSHAZXUCV-JSGCOSHPSA-N 0 3 238.350 3.507 20 0 BHADHN CC(C)C[C@H](NCC[C@@H](C)F)c1ccccn1 ZINC000340459197 188212858 /nfs/dbraw/zinc/21/28/58/188212858.db2.gz GAGQNVSHAZXUCV-OCCSQVGLSA-N 0 3 238.350 3.507 20 0 BHADHN CC(C)C[C@@H](NCC[C@@H](C)F)c1ccccn1 ZINC000340459200 385842726 /nfs/dbraw/zinc/84/27/26/385842726.db2.gz GAGQNVSHAZXUCV-TZMCWYRMSA-N 0 3 238.350 3.507 20 0 BHADHN C[C@@H](F)CCN[C@@H](C)c1nccc2ccccc21 ZINC000340460308 385838321 /nfs/dbraw/zinc/83/83/21/385838321.db2.gz MYRVMAKMIWJXFC-NEPJUHHUSA-N 0 3 246.329 3.634 20 0 BHADHN C[C@@H](NCC[C@H](C)F)c1nccc2ccccc21 ZINC000340460310 385838943 /nfs/dbraw/zinc/83/89/43/385838943.db2.gz MYRVMAKMIWJXFC-NWDGAFQWSA-N 0 3 246.329 3.634 20 0 BHADHN C[C@H](F)CCN[C@@H](C)c1nccc2ccccc21 ZINC000340460312 385839860 /nfs/dbraw/zinc/83/98/60/385839860.db2.gz MYRVMAKMIWJXFC-RYUDHWBXSA-N 0 3 246.329 3.634 20 0 BHADHN C[C@@H](F)CCN[C@H](C)c1nccc2ccccc21 ZINC000340460314 385838835 /nfs/dbraw/zinc/83/88/35/385838835.db2.gz MYRVMAKMIWJXFC-VXGBXAGGSA-N 0 3 246.329 3.634 20 0 BHADHN C[C@@H](F)CCN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000340464414 385855909 /nfs/dbraw/zinc/85/59/09/385855909.db2.gz OSQZLOPFKUZQEZ-HTQZYQBOSA-N 0 3 249.251 3.503 20 0 BHADHN C[C@@H](NCC[C@H](C)F)c1cc(F)c(F)c(F)c1 ZINC000340464415 176741892 /nfs/dbraw/zinc/74/18/92/176741892.db2.gz OSQZLOPFKUZQEZ-JGVFFNPUSA-N 0 3 249.251 3.503 20 0 BHADHN C[C@@H](F)CCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000340464416 385855418 /nfs/dbraw/zinc/85/54/18/385855418.db2.gz OSQZLOPFKUZQEZ-SFYZADRCSA-N 0 3 249.251 3.503 20 0 BHADHN C[C@H](F)CCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000340464417 385856076 /nfs/dbraw/zinc/85/60/76/385856076.db2.gz OSQZLOPFKUZQEZ-YUMQZZPRSA-N 0 3 249.251 3.503 20 0 BHADHN C[C@@H](F)CCN[C@H](C)c1csc(Cl)c1 ZINC000340465612 388490825 /nfs/dbraw/zinc/49/08/25/388490825.db2.gz LMTRMUYKTMFFNV-HTQZYQBOSA-N 0 3 235.755 3.800 20 0 BHADHN C[C@@H](NCC[C@H](C)F)c1csc(Cl)c1 ZINC000340465613 388491272 /nfs/dbraw/zinc/49/12/72/388491272.db2.gz LMTRMUYKTMFFNV-JGVFFNPUSA-N 0 3 235.755 3.800 20 0 BHADHN C[C@@H](F)CCN[C@@H](C)c1csc(Cl)c1 ZINC000340465614 388491229 /nfs/dbraw/zinc/49/12/29/388491229.db2.gz LMTRMUYKTMFFNV-SFYZADRCSA-N 0 3 235.755 3.800 20 0 BHADHN C[C@H](F)CCN[C@@H](C)c1csc(Cl)c1 ZINC000340465615 388490685 /nfs/dbraw/zinc/49/06/85/388490685.db2.gz LMTRMUYKTMFFNV-YUMQZZPRSA-N 0 3 235.755 3.800 20 0 BHADHN C[C@@H](F)CCN[C@@H](C)c1ccc2ccccc2n1 ZINC000340465616 385851820 /nfs/dbraw/zinc/85/18/20/385851820.db2.gz LNKXGOPUSXJSPH-NEPJUHHUSA-N 0 3 246.329 3.634 20 0 BHADHN C[C@@H](NCC[C@H](C)F)c1ccc2ccccc2n1 ZINC000340465617 385852046 /nfs/dbraw/zinc/85/20/46/385852046.db2.gz LNKXGOPUSXJSPH-NWDGAFQWSA-N 0 3 246.329 3.634 20 0 BHADHN C[C@H](F)CCN[C@@H](C)c1ccc2ccccc2n1 ZINC000340465618 385851277 /nfs/dbraw/zinc/85/12/77/385851277.db2.gz LNKXGOPUSXJSPH-RYUDHWBXSA-N 0 3 246.329 3.634 20 0 BHADHN C[C@@H](F)CCN[C@H](C)c1ccc2ccccc2n1 ZINC000340465619 175790851 /nfs/dbraw/zinc/79/08/51/175790851.db2.gz LNKXGOPUSXJSPH-VXGBXAGGSA-N 0 3 246.329 3.634 20 0 BHADHN CC[C@@H](NCC[C@@H](C)F)c1cc(F)ccc1F ZINC000340466449 385853548 /nfs/dbraw/zinc/85/35/48/385853548.db2.gz VVGPBKFTTLOJLQ-NOZJJQNGSA-N 0 3 245.288 3.754 20 0 BHADHN CC[C@H](NCC[C@@H](C)F)c1cc(F)ccc1F ZINC000340466450 398126864 /nfs/dbraw/zinc/12/68/64/398126864.db2.gz VVGPBKFTTLOJLQ-RNCFNFMXSA-N 0 3 245.288 3.754 20 0 BHADHN CC[C@@H](NCC[C@H](C)F)c1cc(F)ccc1F ZINC000340466451 398126955 /nfs/dbraw/zinc/12/69/55/398126955.db2.gz VVGPBKFTTLOJLQ-TVQRCGJNSA-N 0 3 245.288 3.754 20 0 BHADHN CC[C@H](NCC[C@H](C)F)c1cc(F)ccc1F ZINC000340466452 398127117 /nfs/dbraw/zinc/12/71/17/398127117.db2.gz VVGPBKFTTLOJLQ-ZANVPECISA-N 0 3 245.288 3.754 20 0 BHADHN CC[C@@H](NCC[C@@H](C)F)c1ccc(F)cc1F ZINC000340469863 385861116 /nfs/dbraw/zinc/86/11/16/385861116.db2.gz YXVJLDLKCOIJHB-NOZJJQNGSA-N 0 3 245.288 3.754 20 0 BHADHN CC[C@H](NCC[C@@H](C)F)c1ccc(F)cc1F ZINC000340469864 385860632 /nfs/dbraw/zinc/86/06/32/385860632.db2.gz YXVJLDLKCOIJHB-RNCFNFMXSA-N 0 3 245.288 3.754 20 0 BHADHN CC[C@@H](NCC[C@H](C)F)c1ccc(F)cc1F ZINC000340469865 385861254 /nfs/dbraw/zinc/86/12/54/385861254.db2.gz YXVJLDLKCOIJHB-TVQRCGJNSA-N 0 3 245.288 3.754 20 0 BHADHN CC[C@H](NCC[C@H](C)F)c1ccc(F)cc1F ZINC000340469866 385861200 /nfs/dbraw/zinc/86/12/00/385861200.db2.gz YXVJLDLKCOIJHB-ZANVPECISA-N 0 3 245.288 3.754 20 0 BHADHN Cc1cc([C@@H](C)NC2(C(C)C)CC2)oc1C ZINC000340480372 178223051 /nfs/dbraw/zinc/22/30/51/178223051.db2.gz YHJGJAPTZWCHSU-LLVKDONJSA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@H](C)NC2(C(C)C)CC2)oc1C ZINC000340480373 178245558 /nfs/dbraw/zinc/24/55/58/178245558.db2.gz YHJGJAPTZWCHSU-NSHDSACASA-N 0 3 221.344 3.736 20 0 BHADHN CC(C)C(C)(C)CN[C@H](C)c1ccncc1F ZINC000340494538 385980462 /nfs/dbraw/zinc/98/04/62/385980462.db2.gz DDUALOKGQFLUMR-LLVKDONJSA-N 0 3 238.350 3.554 20 0 BHADHN CC(C)C(C)(C)CN[C@@H](C)c1ccncc1F ZINC000340494540 166742429 /nfs/dbraw/zinc/74/24/29/166742429.db2.gz DDUALOKGQFLUMR-NSHDSACASA-N 0 3 238.350 3.554 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCC[C@H](C)CC2)no1 ZINC000340499804 178257294 /nfs/dbraw/zinc/25/72/94/178257294.db2.gz SKLIZLIVJKNWGB-DRZSPHRISA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H](C)CC2)no1 ZINC000340499809 178254118 /nfs/dbraw/zinc/25/41/18/178254118.db2.gz SKLIZLIVJKNWGB-KGYLQXTDSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@H](C)CC2)no1 ZINC000340499814 178254634 /nfs/dbraw/zinc/25/46/34/178254634.db2.gz SKLIZLIVJKNWGB-WCFLWFBJSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCC[C@@H](C)CC2)no1 ZINC000340499819 178258129 /nfs/dbraw/zinc/25/81/29/178258129.db2.gz SKLIZLIVJKNWGB-WXHSDQCUSA-N 0 3 236.359 3.602 20 0 BHADHN CCC1(CN[C@H](C)c2cc(C)on2)CCCC1 ZINC000340517661 386095107 /nfs/dbraw/zinc/09/51/07/386095107.db2.gz FDQVFDHSWMYWMM-GFCCVEGCSA-N 0 3 236.359 3.604 20 0 BHADHN CCC1(CN[C@@H](C)c2cc(C)on2)CCCC1 ZINC000340517664 386096356 /nfs/dbraw/zinc/09/63/56/386096356.db2.gz FDQVFDHSWMYWMM-LBPRGKRZSA-N 0 3 236.359 3.604 20 0 BHADHN C[C@@H](NC[C@H]1CCCC1(C)C)c1nccs1 ZINC000340520786 188257614 /nfs/dbraw/zinc/25/76/14/188257614.db2.gz YEBPDNCDDSZQBF-GHMZBOCLSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@@H](NC[C@@H]1CCCC1(C)C)c1nccs1 ZINC000340520787 385084956 /nfs/dbraw/zinc/08/49/56/385084956.db2.gz YEBPDNCDDSZQBF-MNOVXSKESA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@@H]1CCCC1(C)C)c1nccs1 ZINC000340520788 385085061 /nfs/dbraw/zinc/08/50/61/385085061.db2.gz YEBPDNCDDSZQBF-QWRGUYRKSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@H]1CCCC1(C)C)c1nccs1 ZINC000340520789 385083283 /nfs/dbraw/zinc/08/32/83/385083283.db2.gz YEBPDNCDDSZQBF-WDEREUQCSA-N 0 3 238.400 3.620 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@H]1F)c1ccc(F)cc1 ZINC000340521821 171541119 /nfs/dbraw/zinc/54/11/19/171541119.db2.gz FZQHCFUAWIEORC-HZSPNIEDSA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@@H]1F)c1ccc(F)cc1 ZINC000340521823 386123783 /nfs/dbraw/zinc/12/37/83/386123783.db2.gz FZQHCFUAWIEORC-IHRRRGAJSA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc(F)cc1 ZINC000340521825 386124980 /nfs/dbraw/zinc/12/49/80/386124980.db2.gz FZQHCFUAWIEORC-MELADBBJSA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@H]1F)c1ccc(F)cc1 ZINC000340521827 386123619 /nfs/dbraw/zinc/12/36/19/386123619.db2.gz FZQHCFUAWIEORC-RDBSUJKOSA-N 0 3 239.309 3.757 20 0 BHADHN C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000340522509 386116982 /nfs/dbraw/zinc/11/69/82/386116982.db2.gz IOPXAKWXRWBKRA-KAOXEZKKSA-N 0 3 233.330 3.715 20 0 BHADHN C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2F)c2ccccc21 ZINC000340522535 386117174 /nfs/dbraw/zinc/11/71/74/386117174.db2.gz IOPXAKWXRWBKRA-KJEVXHAQSA-N 0 3 233.330 3.715 20 0 BHADHN C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2F)c2ccccc21 ZINC000340522536 386116565 /nfs/dbraw/zinc/11/65/65/386116565.db2.gz IOPXAKWXRWBKRA-QZKOUSHUSA-N 0 3 233.330 3.715 20 0 BHADHN C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2F)c2ccccc21 ZINC000340522537 386116139 /nfs/dbraw/zinc/11/61/39/386116139.db2.gz IOPXAKWXRWBKRA-RABLLNBGSA-N 0 3 233.330 3.715 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@H]1F)c1cccc(C)c1 ZINC000340523074 386116855 /nfs/dbraw/zinc/11/68/55/386116855.db2.gz MZVPBYLDUJXDLR-ILXRZTDVSA-N 0 3 235.346 3.926 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@@H]1F)c1cccc(C)c1 ZINC000340523075 386118060 /nfs/dbraw/zinc/11/80/60/386118060.db2.gz MZVPBYLDUJXDLR-KKUMJFAQSA-N 0 3 235.346 3.926 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@H]1F)c1cccc(C)c1 ZINC000340523076 386116008 /nfs/dbraw/zinc/11/60/08/386116008.db2.gz MZVPBYLDUJXDLR-QLFBSQMISA-N 0 3 235.346 3.926 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1cccc(C)c1 ZINC000340523077 386118080 /nfs/dbraw/zinc/11/80/80/386118080.db2.gz MZVPBYLDUJXDLR-SOUVJXGZSA-N 0 3 235.346 3.926 20 0 BHADHN F[C@@H]1CCC[C@H]1N[C@H]1CCCc2sccc21 ZINC000340524709 386135702 /nfs/dbraw/zinc/13/57/02/386135702.db2.gz FTTPDXKSXNRTDE-GRYCIOLGSA-N 0 3 239.359 3.606 20 0 BHADHN F[C@@H]1CCC[C@H]1N[C@@H]1CCCc2sccc21 ZINC000340524711 386135577 /nfs/dbraw/zinc/13/55/77/386135577.db2.gz FTTPDXKSXNRTDE-IJLUTSLNSA-N 0 3 239.359 3.606 20 0 BHADHN F[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2sccc21 ZINC000340524713 388491806 /nfs/dbraw/zinc/49/18/06/388491806.db2.gz FTTPDXKSXNRTDE-UTUOFQBUSA-N 0 3 239.359 3.606 20 0 BHADHN F[C@@H]1CCC[C@@H]1N[C@H]1CCCc2sccc21 ZINC000340524715 180942428 /nfs/dbraw/zinc/94/24/28/180942428.db2.gz FTTPDXKSXNRTDE-WOPDTQHZSA-N 0 3 239.359 3.606 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@H]1F)c1ccccc1 ZINC000340524740 386136210 /nfs/dbraw/zinc/13/62/10/386136210.db2.gz GBMDRDYAOBDFNW-HZSPNIEDSA-N 0 3 221.319 3.618 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@@H]1F)c1ccccc1 ZINC000340524742 386134682 /nfs/dbraw/zinc/13/46/82/386134682.db2.gz GBMDRDYAOBDFNW-IHRRRGAJSA-N 0 3 221.319 3.618 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000340524750 388491724 /nfs/dbraw/zinc/49/17/24/388491724.db2.gz GBMDRDYAOBDFNW-MELADBBJSA-N 0 3 221.319 3.618 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@H]1F)c1ccccc1 ZINC000340524752 388491599 /nfs/dbraw/zinc/49/15/99/388491599.db2.gz GBMDRDYAOBDFNW-RDBSUJKOSA-N 0 3 221.319 3.618 20 0 BHADHN F[C@@H]1CCC[C@H]1N[C@@H]1CCCCc2ccccc21 ZINC000340524759 386136186 /nfs/dbraw/zinc/13/61/86/386136186.db2.gz GHLFQBVWXHQIBX-BZUAXINKSA-N 0 3 247.357 3.934 20 0 BHADHN F[C@@H]1CCC[C@@H]1N[C@@H]1CCCCc2ccccc21 ZINC000340524761 188394195 /nfs/dbraw/zinc/39/41/95/188394195.db2.gz GHLFQBVWXHQIBX-OAGGEKHMSA-N 0 3 247.357 3.934 20 0 BHADHN F[C@@H]1CCC[C@H]1N[C@H]1CCCCc2ccccc21 ZINC000340524764 386135781 /nfs/dbraw/zinc/13/57/81/386135781.db2.gz GHLFQBVWXHQIBX-OWCLPIDISA-N 0 3 247.357 3.934 20 0 BHADHN F[C@@H]1CCC[C@@H]1N[C@H]1CCCCc2ccccc21 ZINC000340524766 386134632 /nfs/dbraw/zinc/13/46/32/386134632.db2.gz GHLFQBVWXHQIBX-PMPSAXMXSA-N 0 3 247.357 3.934 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@H]1F)c1cccc(F)c1 ZINC000340525405 171540782 /nfs/dbraw/zinc/54/07/82/171540782.db2.gz HLFDXADLZYJSSS-HZSPNIEDSA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@@H]1F)c1cccc(F)c1 ZINC000340525406 386127164 /nfs/dbraw/zinc/12/71/64/386127164.db2.gz HLFDXADLZYJSSS-IHRRRGAJSA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1cccc(F)c1 ZINC000340525407 386126934 /nfs/dbraw/zinc/12/69/34/386126934.db2.gz HLFDXADLZYJSSS-MELADBBJSA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@H]1F)c1cccc(F)c1 ZINC000340525408 386125876 /nfs/dbraw/zinc/12/58/76/386125876.db2.gz HLFDXADLZYJSSS-RDBSUJKOSA-N 0 3 239.309 3.757 20 0 BHADHN F[C@@H]1CCC[C@@H]1N[C@H]1CCCc2ccccc21 ZINC000340525459 386127087 /nfs/dbraw/zinc/12/70/87/386127087.db2.gz KPPFYEUPTGRSSD-ILXRZTDVSA-N 0 3 233.330 3.544 20 0 BHADHN F[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2ccccc21 ZINC000340525460 386126834 /nfs/dbraw/zinc/12/68/34/386126834.db2.gz KPPFYEUPTGRSSD-KFWWJZLASA-N 0 3 233.330 3.544 20 0 BHADHN F[C@@H]1CCC[C@H]1N[C@H]1CCCc2ccccc21 ZINC000340525461 386127254 /nfs/dbraw/zinc/12/72/54/386127254.db2.gz KPPFYEUPTGRSSD-QLFBSQMISA-N 0 3 233.330 3.544 20 0 BHADHN F[C@@H]1CCC[C@H]1N[C@@H]1CCCc2ccccc21 ZINC000340525462 386125936 /nfs/dbraw/zinc/12/59/36/386125936.db2.gz KPPFYEUPTGRSSD-RBSFLKMASA-N 0 3 233.330 3.544 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCC[C@H]2F)c(C)s1 ZINC000340525838 178258808 /nfs/dbraw/zinc/25/88/08/178258808.db2.gz LQQVFZUYFKVYAD-BIMULSAOSA-N 0 3 241.375 3.906 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H]2F)c(C)s1 ZINC000340525839 178253790 /nfs/dbraw/zinc/25/37/90/178253790.db2.gz LQQVFZUYFKVYAD-TVYUQYBPSA-N 0 3 241.375 3.906 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCC[C@@H]2F)c(C)s1 ZINC000340525840 178257902 /nfs/dbraw/zinc/25/79/02/178257902.db2.gz LQQVFZUYFKVYAD-XDTLVQLUSA-N 0 3 241.375 3.906 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@H]2F)c(C)s1 ZINC000340525841 178253934 /nfs/dbraw/zinc/25/39/34/178253934.db2.gz LQQVFZUYFKVYAD-ZWKOPEQDSA-N 0 3 241.375 3.906 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@H]1F)c1ccc(C)cc1 ZINC000340525892 386131010 /nfs/dbraw/zinc/13/10/10/386131010.db2.gz NPGYTZQBVCNASL-ILXRZTDVSA-N 0 3 235.346 3.926 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@@H]1F)c1ccc(C)cc1 ZINC000340525893 171549001 /nfs/dbraw/zinc/54/90/01/171549001.db2.gz NPGYTZQBVCNASL-KKUMJFAQSA-N 0 3 235.346 3.926 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@H]1F)c1ccc(C)cc1 ZINC000340525894 386130813 /nfs/dbraw/zinc/13/08/13/386130813.db2.gz NPGYTZQBVCNASL-QLFBSQMISA-N 0 3 235.346 3.926 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc(C)cc1 ZINC000340525895 386128762 /nfs/dbraw/zinc/12/87/62/386128762.db2.gz NPGYTZQBVCNASL-SOUVJXGZSA-N 0 3 235.346 3.926 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CCC[C@H]2F)s1 ZINC000340525940 385084253 /nfs/dbraw/zinc/08/42/53/385084253.db2.gz OJBYJYYRBMCELT-AXFHLTTASA-N 0 3 227.348 3.598 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CCC[C@@H]2F)s1 ZINC000340525942 386129024 /nfs/dbraw/zinc/12/90/24/386129024.db2.gz OJBYJYYRBMCELT-DCAQKATOSA-N 0 3 227.348 3.598 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2F)s1 ZINC000340525943 385083479 /nfs/dbraw/zinc/08/34/79/385083479.db2.gz OJBYJYYRBMCELT-GARJFASQSA-N 0 3 227.348 3.598 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@H]2F)s1 ZINC000340525945 386130968 /nfs/dbraw/zinc/13/09/68/386130968.db2.gz OJBYJYYRBMCELT-HBNTYKKESA-N 0 3 227.348 3.598 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)CCC2 ZINC000340534212 386158893 /nfs/dbraw/zinc/15/88/93/386158893.db2.gz YPXRPNULFRATLW-ARFHVFGLSA-N 0 3 247.357 3.853 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]1F)CCC2 ZINC000340534216 386159183 /nfs/dbraw/zinc/15/91/83/386159183.db2.gz YPXRPNULFRATLW-BZUAXINKSA-N 0 3 247.357 3.853 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1F)CCC2 ZINC000340534218 386158023 /nfs/dbraw/zinc/15/80/23/386158023.db2.gz YPXRPNULFRATLW-OAGGEKHMSA-N 0 3 247.357 3.853 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]1F)CCC2 ZINC000340534219 386158530 /nfs/dbraw/zinc/15/85/30/386158530.db2.gz YPXRPNULFRATLW-XHSDSOJGSA-N 0 3 247.357 3.853 20 0 BHADHN CCCC1(CN[C@H](C)c2cc(C)on2)CCC1 ZINC000340538852 168601007 /nfs/dbraw/zinc/60/10/07/168601007.db2.gz WZMIQSCYXRZKDH-GFCCVEGCSA-N 0 3 236.359 3.604 20 0 BHADHN CCCC1(CN[C@@H](C)c2cc(C)on2)CCC1 ZINC000340538854 386174954 /nfs/dbraw/zinc/17/49/54/386174954.db2.gz WZMIQSCYXRZKDH-LBPRGKRZSA-N 0 3 236.359 3.604 20 0 BHADHN CC[C@H](C)N(C)Cc1cc(-c2ccccc2)no1 ZINC000340597349 171308924 /nfs/dbraw/zinc/30/89/24/171308924.db2.gz QYOVLLJMPQIWBR-LBPRGKRZSA-N 0 3 244.338 3.572 20 0 BHADHN CCN(Cc1ncc(C2CC2)o1)C1CCCCC1 ZINC000340656046 352547589 /nfs/dbraw/zinc/54/75/89/352547589.db2.gz DDSRYETXRXIWDO-UHFFFAOYSA-N 0 3 248.370 3.707 20 0 BHADHN CSCCN(C)Cc1ccc2ccccc2c1 ZINC000340664123 386548067 /nfs/dbraw/zinc/54/80/67/386548067.db2.gz ZKTCWZUNYATVGT-UHFFFAOYSA-N 0 3 245.391 3.635 20 0 BHADHN CCN(CCSC)Cc1ccc(Cl)cc1 ZINC000340678409 386666616 /nfs/dbraw/zinc/66/66/16/386666616.db2.gz ARMKMDLQMMRVRI-UHFFFAOYSA-N 0 3 243.803 3.525 20 0 BHADHN CC(C)C[C@H]1CCCN1Cc1ncc(C2CC2)o1 ZINC000340678833 259437173 /nfs/dbraw/zinc/43/71/73/259437173.db2.gz MBJFCXBNWLCISG-CYBMUJFWSA-N 0 3 248.370 3.563 20 0 BHADHN CC(C)C[C@@H]1CCCN1Cc1ncc(C2CC2)o1 ZINC000340678836 187355185 /nfs/dbraw/zinc/35/51/85/187355185.db2.gz MBJFCXBNWLCISG-ZDUSSCGKSA-N 0 3 248.370 3.563 20 0 BHADHN CC[C@@H]1CCCN1Cc1nc2ccccc2s1 ZINC000340685745 352630746 /nfs/dbraw/zinc/63/07/46/352630746.db2.gz KHCFMFUFVZDWAZ-LLVKDONJSA-N 0 3 246.379 3.671 20 0 BHADHN CC[C@H]1CCCN1Cc1nc2ccccc2s1 ZINC000340685751 386696478 /nfs/dbraw/zinc/69/64/78/386696478.db2.gz KHCFMFUFVZDWAZ-NSHDSACASA-N 0 3 246.379 3.671 20 0 BHADHN CCC(CC)(CC)NCc1ncc(C2CC2)o1 ZINC000340699578 168317490 /nfs/dbraw/zinc/31/74/90/168317490.db2.gz DOSTYZXLIFGLHF-UHFFFAOYSA-N 0 3 236.359 3.610 20 0 BHADHN CC(C)N(Cc1ncc(C2CC2)o1)C1CCCC1 ZINC000340714460 188398242 /nfs/dbraw/zinc/39/82/42/188398242.db2.gz YAUJEHGIOUIRSM-UHFFFAOYSA-N 0 3 248.370 3.705 20 0 BHADHN CCSCCN(C)Cc1cccc(Cl)c1 ZINC000340761365 386766586 /nfs/dbraw/zinc/76/65/86/386766586.db2.gz PILOUMISTVEMDZ-UHFFFAOYSA-N 0 3 243.803 3.525 20 0 BHADHN CCSCCN(C)Cc1ccc(Cl)cc1 ZINC000340762186 170630831 /nfs/dbraw/zinc/63/08/31/170630831.db2.gz UYGIPVDQSGQHKT-UHFFFAOYSA-N 0 3 243.803 3.525 20 0 BHADHN CC[C@@H]1CCCCCN1Cc1ncc(C2CC2)o1 ZINC000340841292 352677920 /nfs/dbraw/zinc/67/79/20/352677920.db2.gz FNYJLUYWRHBBFY-CYBMUJFWSA-N 0 3 248.370 3.707 20 0 BHADHN CC[C@H]1CCCCCN1Cc1ncc(C2CC2)o1 ZINC000340841293 386786531 /nfs/dbraw/zinc/78/65/31/386786531.db2.gz FNYJLUYWRHBBFY-ZDUSSCGKSA-N 0 3 248.370 3.707 20 0 BHADHN CSCCN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000340844163 386773942 /nfs/dbraw/zinc/77/39/42/386773942.db2.gz VQSNRGYKRQXRJS-UHFFFAOYSA-N 0 3 249.423 3.631 20 0 BHADHN C[C@@H]1CCC[C@H](C)N(Cc2ncc(C3CC3)o2)C1 ZINC000340899991 177115319 /nfs/dbraw/zinc/11/53/19/177115319.db2.gz PCJNTWPIPKKPSO-NEPJUHHUSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCC[C@H](C)CN1Cc1ncc(C2CC2)o1 ZINC000340899992 177115031 /nfs/dbraw/zinc/11/50/31/177115031.db2.gz PCJNTWPIPKKPSO-NWDGAFQWSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@H]1CCC[C@H](C)N(Cc2ncc(C3CC3)o2)C1 ZINC000340899993 177130561 /nfs/dbraw/zinc/13/05/61/177130561.db2.gz PCJNTWPIPKKPSO-RYUDHWBXSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCC[C@@H](C)N(Cc2ncc(C3CC3)o2)C1 ZINC000340899994 176114609 /nfs/dbraw/zinc/11/46/09/176114609.db2.gz PCJNTWPIPKKPSO-VXGBXAGGSA-N 0 3 248.370 3.563 20 0 BHADHN CCSCCN(Cc1ccccc1C)C1CC1 ZINC000340949988 386804872 /nfs/dbraw/zinc/80/48/72/386804872.db2.gz MEISMLIWOYZOCO-UHFFFAOYSA-N 0 3 249.423 3.713 20 0 BHADHN Cc1ccccc1CN1CCc2ccsc2C1 ZINC000341007828 179275869 /nfs/dbraw/zinc/27/58/69/179275869.db2.gz JNCIPENRJOGAIY-UHFFFAOYSA-N 0 3 243.375 3.615 20 0 BHADHN Cc1cccc(CN2CCc3ccsc3C2)c1 ZINC000341015558 179082585 /nfs/dbraw/zinc/08/25/85/179082585.db2.gz RFJOEJCAMUYDHT-UHFFFAOYSA-N 0 3 243.375 3.615 20 0 BHADHN CC[C@@H](NC[C@H](C)C(F)(F)F)c1ccccc1 ZINC000341212833 386855558 /nfs/dbraw/zinc/85/55/58/386855558.db2.gz QULZDIXLQRRDCK-CMPLNLGQSA-N 0 3 245.288 3.926 20 0 BHADHN CC[C@H](NC[C@H](C)C(F)(F)F)c1ccccc1 ZINC000341212859 386855477 /nfs/dbraw/zinc/85/54/77/386855477.db2.gz QULZDIXLQRRDCK-JQWIXIFHSA-N 0 3 245.288 3.926 20 0 BHADHN CC[C@H](NC[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000341212865 386855937 /nfs/dbraw/zinc/85/59/37/386855937.db2.gz QULZDIXLQRRDCK-PWSUYJOCSA-N 0 3 245.288 3.926 20 0 BHADHN CC[C@@H](NC[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000341212870 386855945 /nfs/dbraw/zinc/85/59/45/386855945.db2.gz QULZDIXLQRRDCK-ZYHUDNBSSA-N 0 3 245.288 3.926 20 0 BHADHN CCC(CC)(CC)CNCc1ccc(F)cn1 ZINC000341293423 168315468 /nfs/dbraw/zinc/31/54/68/168315468.db2.gz WVORSMSBHNRPTI-UHFFFAOYSA-N 0 3 238.350 3.527 20 0 BHADHN CC(C)(C)C[C@@H](NCCF)c1ccc(F)cc1 ZINC000341450298 386905853 /nfs/dbraw/zinc/90/58/53/386905853.db2.gz IWJASILJWXBRLT-CYBMUJFWSA-N 0 3 241.325 3.862 20 0 BHADHN CC(C)(C)C[C@H](NCCF)c1ccc(F)cc1 ZINC000341450299 386905595 /nfs/dbraw/zinc/90/55/95/386905595.db2.gz IWJASILJWXBRLT-ZDUSSCGKSA-N 0 3 241.325 3.862 20 0 BHADHN Fc1ccccc1-c1ccc(CNC2CCC2)o1 ZINC000341455227 181008900 /nfs/dbraw/zinc/00/89/00/181008900.db2.gz DOWBSANAHMMZAG-UHFFFAOYSA-N 0 3 245.297 3.728 20 0 BHADHN Cc1occc1CNC1CC(c2ccccc2)C1 ZINC000341496979 386914872 /nfs/dbraw/zinc/91/48/72/386914872.db2.gz JCXARPFFKBKXMX-UHFFFAOYSA-N 0 3 241.334 3.624 20 0 BHADHN Cc1ccc(CN(C)Cc2ccc(F)cc2)s1 ZINC000341562271 386918261 /nfs/dbraw/zinc/91/82/61/386918261.db2.gz FEYFCOGXQVHJBL-UHFFFAOYSA-N 0 3 249.354 3.828 20 0 BHADHN Cc1ccc(CN(C)Cc2cccc(F)c2)s1 ZINC000341577836 386925982 /nfs/dbraw/zinc/92/59/82/386925982.db2.gz OIMHPNORPWDNGV-UHFFFAOYSA-N 0 3 249.354 3.828 20 0 BHADHN CCc1ccc(CNC2CCC(F)(F)CC2)o1 ZINC000341710425 386954827 /nfs/dbraw/zinc/95/48/27/386954827.db2.gz HZOIAHMYTLWDPS-UHFFFAOYSA-N 0 3 243.297 3.510 20 0 BHADHN Clc1oc2ccccc2c1CN1CCCC1 ZINC000341746663 386958540 /nfs/dbraw/zinc/95/85/40/386958540.db2.gz AQWQSYJECIVXMG-UHFFFAOYSA-N 0 3 235.714 3.682 20 0 BHADHN CC(C)[C@@H](C)N(C)Cc1nc2ccccc2s1 ZINC000341811703 167368570 /nfs/dbraw/zinc/36/85/70/167368570.db2.gz VSJXRLKCKBNSHS-LLVKDONJSA-N 0 3 248.395 3.773 20 0 BHADHN CC(C)[C@H](C)N(C)Cc1nc2ccccc2s1 ZINC000341811704 386974264 /nfs/dbraw/zinc/97/42/64/386974264.db2.gz VSJXRLKCKBNSHS-NSHDSACASA-N 0 3 248.395 3.773 20 0 BHADHN CN(CCCCCF)Cc1ccc(F)c(F)c1 ZINC000341829228 386968661 /nfs/dbraw/zinc/96/86/61/386968661.db2.gz AARXXYLOJAKJJD-UHFFFAOYSA-N 0 3 245.288 3.536 20 0 BHADHN CN(CCCCCF)Cc1ccc(F)cc1F ZINC000341829825 386969258 /nfs/dbraw/zinc/96/92/58/386969258.db2.gz DUTKLJCQBRSJPG-UHFFFAOYSA-N 0 3 245.288 3.536 20 0 BHADHN FCCCCCN1CC[C@H]1c1ccccc1 ZINC000341880033 386985699 /nfs/dbraw/zinc/98/56/99/386985699.db2.gz ZCIYRGRJKPSIPM-AWEZNQCLSA-N 0 3 221.319 3.573 20 0 BHADHN FCCCCCN1CC[C@@H]1c1ccccc1 ZINC000341880034 386985659 /nfs/dbraw/zinc/98/56/59/386985659.db2.gz ZCIYRGRJKPSIPM-CQSZACIVSA-N 0 3 221.319 3.573 20 0 BHADHN C[C@@H]1c2ccccc2CN1CCCCCF ZINC000341893717 386995467 /nfs/dbraw/zinc/99/54/67/386995467.db2.gz SICGAAJYOFPZRV-GFCCVEGCSA-N 0 3 221.319 3.703 20 0 BHADHN C[C@H]1c2ccccc2CN1CCCCCF ZINC000341893718 386994644 /nfs/dbraw/zinc/99/46/44/386994644.db2.gz SICGAAJYOFPZRV-LBPRGKRZSA-N 0 3 221.319 3.703 20 0 BHADHN FCCCCCN1Cc2ccccc2C2(CC2)C1 ZINC000341902669 386987182 /nfs/dbraw/zinc/98/71/82/386987182.db2.gz AWULEEOQCGJTDZ-UHFFFAOYSA-N 0 3 247.357 3.674 20 0 BHADHN CCSCCN1CCC=C(c2ccccc2)C1 ZINC000341992898 385914628 /nfs/dbraw/zinc/91/46/28/385914628.db2.gz QRVVCINTQNIPQG-UHFFFAOYSA-N 0 3 247.407 3.529 20 0 BHADHN CN(CCCCCF)Cc1cc(F)cc(F)c1 ZINC000342120780 385932006 /nfs/dbraw/zinc/93/20/06/385932006.db2.gz FIYUEQZYNXDFEP-UHFFFAOYSA-N 0 3 245.288 3.536 20 0 BHADHN CC/C=C\CCN(C)Cc1cccs1 ZINC000342215613 385959793 /nfs/dbraw/zinc/95/97/93/385959793.db2.gz FBTRLOVYSVEFCV-PLNGDYQASA-N 0 3 209.358 3.536 20 0 BHADHN CC/C=C/CCN(C)Cc1cccs1 ZINC000342215615 385960509 /nfs/dbraw/zinc/96/05/09/385960509.db2.gz FBTRLOVYSVEFCV-SNAWJCMRSA-N 0 3 209.358 3.536 20 0 BHADHN FCCN[C@@H](CC1CCCC1)c1ccccc1 ZINC000342221194 385963046 /nfs/dbraw/zinc/96/30/46/385963046.db2.gz KSTLERBNUPINNB-HNNXBMFYSA-N 0 3 235.346 3.867 20 0 BHADHN FCCN[C@H](CC1CCCC1)c1ccccc1 ZINC000342221197 385962859 /nfs/dbraw/zinc/96/28/59/385962859.db2.gz KSTLERBNUPINNB-OAHLLOKOSA-N 0 3 235.346 3.867 20 0 BHADHN FC1(CCNCc2cc3ccccc3o2)CCC1 ZINC000342222469 385962093 /nfs/dbraw/zinc/96/20/93/385962093.db2.gz LQIAUJVKCSRBRA-UHFFFAOYSA-N 0 3 247.313 3.805 20 0 BHADHN CC1(C)CC[C@@H]1NCc1cc2cc(F)ccc2o1 ZINC000342223429 352741157 /nfs/dbraw/zinc/74/11/57/352741157.db2.gz HRPURECYFHNPJU-AWEZNQCLSA-N 0 3 247.313 3.850 20 0 BHADHN CC1(C)CC[C@H]1NCc1cc2cc(F)ccc2o1 ZINC000342223434 187356655 /nfs/dbraw/zinc/35/66/55/187356655.db2.gz HRPURECYFHNPJU-CQSZACIVSA-N 0 3 247.313 3.850 20 0 BHADHN CC/C=C/CCN(Cc1ccco1)C(C)C ZINC000342227060 135253926 /nfs/dbraw/zinc/25/39/26/135253926.db2.gz CAIUSHLNBIFTOP-AATRIKPKSA-N 0 3 221.344 3.846 20 0 BHADHN CC/C=C\CCN(Cc1ccco1)C(C)C ZINC000342227061 135253491 /nfs/dbraw/zinc/25/34/91/135253491.db2.gz CAIUSHLNBIFTOP-WAYWQWQTSA-N 0 3 221.344 3.846 20 0 BHADHN Cc1ccc(F)c(CNCCC2(F)CCC2)c1 ZINC000342227913 135253910 /nfs/dbraw/zinc/25/39/10/135253910.db2.gz LFQSUVMKMYHESM-UHFFFAOYSA-N 0 3 239.309 3.506 20 0 BHADHN CC/C=C\CCN(C)[C@@H](C)c1ccco1 ZINC000342241998 365540711 /nfs/dbraw/zinc/54/07/11/365540711.db2.gz VTWSZKBZPQRRIT-FJOGCWAESA-N 0 3 207.317 3.629 20 0 BHADHN CC/C=C\CCN(C)[C@H](C)c1ccco1 ZINC000342242826 346557717 /nfs/dbraw/zinc/55/77/17/346557717.db2.gz VTWSZKBZPQRRIT-FOQNGQEVSA-N 0 3 207.317 3.629 20 0 BHADHN CSc1ccc(CN2CCC(C)CC2)cc1 ZINC000342331783 385966825 /nfs/dbraw/zinc/96/68/25/385966825.db2.gz GZGRRMUYDQNUNY-UHFFFAOYSA-N 0 3 235.396 3.640 20 0 BHADHN CSc1ccc(CN2CCCC[C@@H]2C)cc1 ZINC000342333448 352744394 /nfs/dbraw/zinc/74/43/94/352744394.db2.gz MMEDWDAHYQUSJZ-LBPRGKRZSA-N 0 3 235.396 3.783 20 0 BHADHN Cc1cccc(CN2CC(C)(C)CC(C)(C)C2)n1 ZINC000342340795 135265099 /nfs/dbraw/zinc/26/50/99/135265099.db2.gz SIOJPJKRXHOMGM-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CCN(CCCC1CCCC1)Cc1ccccn1 ZINC000342352764 135260999 /nfs/dbraw/zinc/26/09/99/135260999.db2.gz AULIHDJDJBQCDA-UHFFFAOYSA-N 0 3 246.398 3.874 20 0 BHADHN Cc1ccncc1CN1CC(C)(C)CC(C)(C)C1 ZINC000342360511 135263009 /nfs/dbraw/zinc/26/30/09/135263009.db2.gz WSKJGMBPHBILDG-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CCN(CCC(C)(C)CC)Cc1ccccn1 ZINC000342372805 135268466 /nfs/dbraw/zinc/26/84/66/135268466.db2.gz JRKOJSOWUJLCBQ-UHFFFAOYSA-N 0 3 234.387 3.730 20 0 BHADHN Cc1ccc(CN2CC(C)(C)CC(C)(C)C2)nc1 ZINC000342379323 135269275 /nfs/dbraw/zinc/26/92/75/135269275.db2.gz SFRWKMUFKCHBSQ-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1occc1CN(C)Cc1c(C)cccc1C ZINC000342615662 135296207 /nfs/dbraw/zinc/29/62/07/135296207.db2.gz LEWNLTDCAPEKLP-UHFFFAOYSA-N 0 3 243.350 3.837 20 0 BHADHN CCC1CC(N[C@H]2CCOc3c(C)cccc32)C1 ZINC000342615815 135296231 /nfs/dbraw/zinc/29/62/31/135296231.db2.gz NOHNCTLIYXYEQV-PIMMBPRGSA-N 0 3 245.366 3.597 20 0 BHADHN CCC1CC(N[C@@H]2CCOc3c(C)cccc32)C1 ZINC000342615816 135295853 /nfs/dbraw/zinc/29/58/53/135295853.db2.gz NOHNCTLIYXYEQV-SSDMNJCBSA-N 0 3 245.366 3.597 20 0 BHADHN CC/C=C\CCN[C@H](CC)c1c(C)noc1C ZINC000342628688 343730746 /nfs/dbraw/zinc/73/07/46/343730746.db2.gz GVROQXPCQUOSOS-MEJMFZKBSA-N 0 3 236.359 3.688 20 0 BHADHN CC/C=C\CCN[C@@H](CC)c1c(C)noc1C ZINC000342628689 343731021 /nfs/dbraw/zinc/73/10/21/343731021.db2.gz GVROQXPCQUOSOS-WSROAFLRSA-N 0 3 236.359 3.688 20 0 BHADHN CCC[C@H](N[C@H]1CCC1(C)C)c1ccccn1 ZINC000342701251 135306884 /nfs/dbraw/zinc/30/68/84/135306884.db2.gz RCQGIUSGFOFCDL-KBPBESRZSA-N 0 3 232.371 3.701 20 0 BHADHN CCC[C@@H](N[C@H]1CCC1(C)C)c1ccccn1 ZINC000342701252 135306980 /nfs/dbraw/zinc/30/69/80/135306980.db2.gz RCQGIUSGFOFCDL-KGLIPLIRSA-N 0 3 232.371 3.701 20 0 BHADHN CCC[C@H](N[C@@H]1CCC1(C)C)c1ccccn1 ZINC000342701253 135307342 /nfs/dbraw/zinc/30/73/42/135307342.db2.gz RCQGIUSGFOFCDL-UONOGXRCSA-N 0 3 232.371 3.701 20 0 BHADHN CCC[C@@H](N[C@@H]1CCC1(C)C)c1ccccn1 ZINC000342701254 135307063 /nfs/dbraw/zinc/30/70/63/135307063.db2.gz RCQGIUSGFOFCDL-ZIAGYGMSSA-N 0 3 232.371 3.701 20 0 BHADHN CCC1CC(NCc2ccc3ccccc3n2)C1 ZINC000342708543 135312716 /nfs/dbraw/zinc/31/27/16/135312716.db2.gz KYWHLLSPRNYMKE-UHFFFAOYSA-N 0 3 240.350 3.513 20 0 BHADHN C[C@H](CCC(C)(C)C)NCc1ccc(F)cn1 ZINC000342710865 135313135 /nfs/dbraw/zinc/31/31/35/135313135.db2.gz PTERBRWISZIATN-LLVKDONJSA-N 0 3 238.350 3.525 20 0 BHADHN C[C@@H](CCC(C)(C)C)NCc1ccc(F)cn1 ZINC000342710900 135312788 /nfs/dbraw/zinc/31/27/88/135312788.db2.gz PTERBRWISZIATN-NSHDSACASA-N 0 3 238.350 3.525 20 0 BHADHN Cc1ccc(CCCN(C)Cc2ccoc2)cc1 ZINC000342732610 135316503 /nfs/dbraw/zinc/31/65/03/135316503.db2.gz KIUJEOHVNRTVTD-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN CC[C@H](NC1CC(CC)C1)c1c(C)noc1C ZINC000342734793 135316237 /nfs/dbraw/zinc/31/62/37/135316237.db2.gz OJUXWKIESAHXPJ-BPCQOVAHSA-N 0 3 236.359 3.521 20 0 BHADHN CC[C@@H](NC1CC(CC)C1)c1c(C)noc1C ZINC000342734801 135316698 /nfs/dbraw/zinc/31/66/98/135316698.db2.gz OJUXWKIESAHXPJ-WXRRBKDZSA-N 0 3 236.359 3.521 20 0 BHADHN CC[C@@H](N[C@H]1CCC1(C)C)c1c(C)noc1C ZINC000342735840 135316548 /nfs/dbraw/zinc/31/65/48/135316548.db2.gz PPKSSDHCPKSKOZ-NEPJUHHUSA-N 0 3 236.359 3.521 20 0 BHADHN CC[C@H](N[C@@H]1CCC1(C)C)c1c(C)noc1C ZINC000342735842 535932088 /nfs/dbraw/zinc/93/20/88/535932088.db2.gz PPKSSDHCPKSKOZ-NWDGAFQWSA-N 0 3 236.359 3.521 20 0 BHADHN CC[C@H](N[C@H]1CCC1(C)C)c1c(C)noc1C ZINC000342735846 135316544 /nfs/dbraw/zinc/31/65/44/135316544.db2.gz PPKSSDHCPKSKOZ-RYUDHWBXSA-N 0 3 236.359 3.521 20 0 BHADHN CC[C@@H](N[C@@H]1CCC1(C)C)c1c(C)noc1C ZINC000342735849 535808180 /nfs/dbraw/zinc/80/81/80/535808180.db2.gz PPKSSDHCPKSKOZ-VXGBXAGGSA-N 0 3 236.359 3.521 20 0 BHADHN c1coc(CN2CCC=C(c3ccccc3)C2)c1 ZINC000342844583 352872466 /nfs/dbraw/zinc/87/24/66/352872466.db2.gz ZOYDLXDVVFFGSV-UHFFFAOYSA-N 0 3 239.318 3.569 20 0 BHADHN CC(C)[C@@H]1CCN1Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000342850165 352874534 /nfs/dbraw/zinc/87/45/34/352874534.db2.gz LPCXMGFKYQEMNP-BNOWGMLFSA-N 0 3 233.355 3.633 20 0 BHADHN CC(C)[C@@H]1CCN1Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000342850166 352874458 /nfs/dbraw/zinc/87/44/58/352874458.db2.gz LPCXMGFKYQEMNP-UBHSHLNASA-N 0 3 233.355 3.633 20 0 BHADHN CC(C)[C@@H]1CCN1Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000342850167 352874201 /nfs/dbraw/zinc/87/42/01/352874201.db2.gz LPCXMGFKYQEMNP-XBFCOCLRSA-N 0 3 233.355 3.633 20 0 BHADHN CC(C)[C@@H]1CCN1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000342850168 352874568 /nfs/dbraw/zinc/87/45/68/352874568.db2.gz LPCXMGFKYQEMNP-YUTCNCBUSA-N 0 3 233.355 3.633 20 0 BHADHN CSc1ccc(CN2CC[C@H]2C(C)C)cc1 ZINC000342862016 352879137 /nfs/dbraw/zinc/87/91/37/352879137.db2.gz PLBHXCRTUUJTJL-AWEZNQCLSA-N 0 3 235.396 3.639 20 0 BHADHN CSc1ccc(CN2CC[C@@H]2C(C)C)cc1 ZINC000342862017 352879258 /nfs/dbraw/zinc/87/92/58/352879258.db2.gz PLBHXCRTUUJTJL-CQSZACIVSA-N 0 3 235.396 3.639 20 0 BHADHN CC(C)[C@@H]1CCN1Cc1cc2cc(F)ccc2o1 ZINC000342863514 352881583 /nfs/dbraw/zinc/88/15/83/352881583.db2.gz XWMBKZYZZWOBRW-AWEZNQCLSA-N 0 3 247.313 3.802 20 0 BHADHN CC(C)[C@H]1CCN1Cc1cc2cc(F)ccc2o1 ZINC000342863515 352881854 /nfs/dbraw/zinc/88/18/54/352881854.db2.gz XWMBKZYZZWOBRW-CQSZACIVSA-N 0 3 247.313 3.802 20 0 BHADHN CC(C)N(Cc1ccco1)[C@@H]1C=CCCC1 ZINC000343040259 352952191 /nfs/dbraw/zinc/95/21/91/352952191.db2.gz CGYUJPPHTXARPV-CYBMUJFWSA-N 0 3 219.328 3.599 20 0 BHADHN CC(C)N(Cc1ccco1)[C@H]1C=CCCC1 ZINC000343040261 352952533 /nfs/dbraw/zinc/95/25/33/352952533.db2.gz CGYUJPPHTXARPV-ZDUSSCGKSA-N 0 3 219.328 3.599 20 0 BHADHN CC(C)CN(Cc1cscn1)C1CCCC1 ZINC000343100008 135354586 /nfs/dbraw/zinc/35/45/86/135354586.db2.gz AWXDWCRGTGZDIV-UHFFFAOYSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)(C)C[C@H]1CCCN1Cc1cscn1 ZINC000343100036 534653659 /nfs/dbraw/zinc/65/36/59/534653659.db2.gz BLGDWBLELGBPNV-GFCCVEGCSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)(C)C[C@@H]1CCCN1Cc1cscn1 ZINC000343100037 135354879 /nfs/dbraw/zinc/35/48/79/135354879.db2.gz BLGDWBLELGBPNV-LBPRGKRZSA-N 0 3 238.400 3.544 20 0 BHADHN CN(Cc1cccnc1)CC1CCC(C)(C)CC1 ZINC000343282977 353348014 /nfs/dbraw/zinc/34/80/14/353348014.db2.gz LVCDNTHSWXYQMI-UHFFFAOYSA-N 0 3 246.398 3.730 20 0 BHADHN CCCC[C@@H](C)[C@@H](C)NCc1c(C)noc1C ZINC000343502372 353915483 /nfs/dbraw/zinc/91/54/83/353915483.db2.gz CZBRPFSGOGSKNA-GHMZBOCLSA-N 0 3 238.375 3.596 20 0 BHADHN CCCC[C@@H](C)[C@H](C)NCc1c(C)noc1C ZINC000343502373 353915195 /nfs/dbraw/zinc/91/51/95/353915195.db2.gz CZBRPFSGOGSKNA-MNOVXSKESA-N 0 3 238.375 3.596 20 0 BHADHN CCCC[C@H](C)[C@H](C)NCc1c(C)noc1C ZINC000343502374 353915328 /nfs/dbraw/zinc/91/53/28/353915328.db2.gz CZBRPFSGOGSKNA-QWRGUYRKSA-N 0 3 238.375 3.596 20 0 BHADHN CCCC[C@H](C)[C@@H](C)NCc1c(C)noc1C ZINC000343502375 353915119 /nfs/dbraw/zinc/91/51/19/353915119.db2.gz CZBRPFSGOGSKNA-WDEREUQCSA-N 0 3 238.375 3.596 20 0 BHADHN Cc1nn(C(C)C)cc1CN(C)C1CCCCC1 ZINC000343513851 353925023 /nfs/dbraw/zinc/92/50/23/353925023.db2.gz OHEXASKPBUODDP-UHFFFAOYSA-N 0 3 249.402 3.537 20 0 BHADHN Cc1nn(C(C)C)cc1CN(C(C)C)C1CCC1 ZINC000343520096 353926441 /nfs/dbraw/zinc/92/64/41/353926441.db2.gz AQGQAAOPYKEGLV-UHFFFAOYSA-N 0 3 249.402 3.535 20 0 BHADHN Cc1nn(C(C)C)cc1CN1CCCCC[C@H]1C ZINC000343521444 136231001 /nfs/dbraw/zinc/23/10/01/136231001.db2.gz CYNVNJDHHUNTOF-CYBMUJFWSA-N 0 3 249.402 3.537 20 0 BHADHN Cc1nn(C(C)C)cc1CN1CCCCC[C@@H]1C ZINC000343521446 136231027 /nfs/dbraw/zinc/23/10/27/136231027.db2.gz CYNVNJDHHUNTOF-ZDUSSCGKSA-N 0 3 249.402 3.537 20 0 BHADHN CCCCN(Cc1cn(C(C)C)nc1C)C1CC1 ZINC000343521565 136231017 /nfs/dbraw/zinc/23/10/17/136231017.db2.gz VFBQJJSUZCLERS-UHFFFAOYSA-N 0 3 249.402 3.537 20 0 BHADHN CC[C@H]1CCCCN1Cc1cn(C(C)C)nc1C ZINC000343569325 353936652 /nfs/dbraw/zinc/93/66/52/353936652.db2.gz JKNKENKLDXKYSX-HNNXBMFYSA-N 0 3 249.402 3.537 20 0 BHADHN CC[C@@H]1CCCCN1Cc1cn(C(C)C)nc1C ZINC000343569326 353936544 /nfs/dbraw/zinc/93/65/44/353936544.db2.gz JKNKENKLDXKYSX-OAHLLOKOSA-N 0 3 249.402 3.537 20 0 BHADHN CSCCCN(C)Cc1cc(Cl)cs1 ZINC000343673859 353954166 /nfs/dbraw/zinc/95/41/66/353954166.db2.gz HWFBTSZQXPIUSH-UHFFFAOYSA-N 0 3 249.832 3.586 20 0 BHADHN CSCCCN(C)Cc1coc2ccccc12 ZINC000343674294 353961064 /nfs/dbraw/zinc/96/10/64/353961064.db2.gz IQNNROFOOYEDKS-UHFFFAOYSA-N 0 3 249.379 3.618 20 0 BHADHN CSCCCN(C)Cc1cc(C)sc1C ZINC000343687319 353963637 /nfs/dbraw/zinc/96/36/37/353963637.db2.gz XUDFRRGAAFMYCI-UHFFFAOYSA-N 0 3 243.441 3.550 20 0 BHADHN Cc1ccc(CN[C@H](C)c2cncc(C)c2)s1 ZINC000343867180 354027222 /nfs/dbraw/zinc/02/72/22/354027222.db2.gz USOYJILZXYKHDY-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2cncc(C)c2)s1 ZINC000343867191 354027142 /nfs/dbraw/zinc/02/71/42/354027142.db2.gz USOYJILZXYKHDY-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC(C)CC1(C)CCN(Cc2cccnc2)CC1 ZINC000343955413 354071591 /nfs/dbraw/zinc/07/15/91/354071591.db2.gz BYAINMZCQJWGSC-UHFFFAOYSA-N 0 3 246.398 3.730 20 0 BHADHN CC(C)CC1(C)CCN(Cc2ccncc2)CC1 ZINC000343991049 354063108 /nfs/dbraw/zinc/06/31/08/354063108.db2.gz LCMULGJVADRASM-UHFFFAOYSA-N 0 3 246.398 3.730 20 0 BHADHN CC(C)CC1(C)CCN(Cc2ccccn2)CC1 ZINC000344001366 354066982 /nfs/dbraw/zinc/06/69/82/354066982.db2.gz ZBGLYEBPTZZTIB-UHFFFAOYSA-N 0 3 246.398 3.730 20 0 BHADHN CCC(CC)N(CC)Cc1ccncc1Cl ZINC000344009446 354114853 /nfs/dbraw/zinc/11/48/53/354114853.db2.gz ASSIMMDAUHNKPX-UHFFFAOYSA-N 0 3 240.778 3.746 20 0 BHADHN CCC(CC)N(CC)Cc1nc(C)c(C)s1 ZINC000344027279 354088893 /nfs/dbraw/zinc/08/88/93/354088893.db2.gz KWCJWLSETMYWQB-UHFFFAOYSA-N 0 3 240.416 3.770 20 0 BHADHN CCC(CC)N(CC)Cc1nc2ccccc2[nH]1 ZINC000344028258 354090265 /nfs/dbraw/zinc/09/02/65/354090265.db2.gz MPULZHSMIRRISX-UHFFFAOYSA-N 0 3 245.370 3.573 20 0 BHADHN CCc1nc(CN(CC)C(CC)CC)cs1 ZINC000344028260 354090541 /nfs/dbraw/zinc/09/05/41/354090541.db2.gz MRGKMIRLGCGZIZ-UHFFFAOYSA-N 0 3 240.416 3.716 20 0 BHADHN CCc1noc(C)c1CN(CC)C(CC)CC ZINC000344033882 354097784 /nfs/dbraw/zinc/09/77/84/354097784.db2.gz GAMHCCUGRFOVTF-UHFFFAOYSA-N 0 3 238.375 3.556 20 0 BHADHN CCC(CC)N(CC)Cc1ncc(C2CC2)o1 ZINC000344035377 354100934 /nfs/dbraw/zinc/10/09/34/354100934.db2.gz RYARQZWNHKCTBZ-UHFFFAOYSA-N 0 3 236.359 3.563 20 0 BHADHN CCC(CC)N(CC)Cc1nc(C)sc1C ZINC000344050080 354123299 /nfs/dbraw/zinc/12/32/99/354123299.db2.gz ZOQVCUCQVDIQAI-UHFFFAOYSA-N 0 3 240.416 3.770 20 0 BHADHN C[C@@H]1C[C@H](N[C@@H]2CSC2(C)C)c2ccccc21 ZINC000344078619 388504500 /nfs/dbraw/zinc/50/45/00/388504500.db2.gz NWQSSSQTHLZYIC-DDTOSNHZSA-N 0 3 247.407 3.719 20 0 BHADHN C[C@@H]1C[C@@H](N[C@H]2CSC2(C)C)c2ccccc21 ZINC000344078620 388504740 /nfs/dbraw/zinc/50/47/40/388504740.db2.gz NWQSSSQTHLZYIC-HONMWMINSA-N 0 3 247.407 3.719 20 0 BHADHN C[C@@H]1C[C@@H](N[C@@H]2CSC2(C)C)c2ccccc21 ZINC000344078621 388504809 /nfs/dbraw/zinc/50/48/09/388504809.db2.gz NWQSSSQTHLZYIC-LERXQTSPSA-N 0 3 247.407 3.719 20 0 BHADHN C[C@@H]1C[C@H](N[C@H]2CSC2(C)C)c2ccccc21 ZINC000344078622 388504872 /nfs/dbraw/zinc/50/48/72/388504872.db2.gz NWQSSSQTHLZYIC-SWHYSGLUSA-N 0 3 247.407 3.719 20 0 BHADHN CN(CCCC1CCCCC1)Cc1ccncc1 ZINC000344187222 354178260 /nfs/dbraw/zinc/17/82/60/354178260.db2.gz NPGKTUSMUYRVTJ-UHFFFAOYSA-N 0 3 246.398 3.874 20 0 BHADHN Cc1ccccc1CN1CCCc2occc2C1 ZINC000344197918 354161354 /nfs/dbraw/zinc/16/13/54/354161354.db2.gz IUBQDGKHDWDJOB-UHFFFAOYSA-N 0 3 241.334 3.536 20 0 BHADHN Cc1cccc(CN2CCCc3occc3C2)c1 ZINC000344234289 354185464 /nfs/dbraw/zinc/18/54/64/354185464.db2.gz IYBGXPSFYZPUMY-UHFFFAOYSA-N 0 3 241.334 3.536 20 0 BHADHN Cc1ccc(CN2CCCc3occc3C2)cc1 ZINC000344234343 354185753 /nfs/dbraw/zinc/18/57/53/354185753.db2.gz JEXVPXIEQBYAGE-UHFFFAOYSA-N 0 3 241.334 3.536 20 0 BHADHN C[C@H](c1ccccc1)N1CCCc2occc2C1 ZINC000344237094 354186475 /nfs/dbraw/zinc/18/64/75/354186475.db2.gz AGZDVBOIFYJPEC-CYBMUJFWSA-N 0 3 241.334 3.789 20 0 BHADHN C[C@@H](c1ccccc1)N1CCCc2occc2C1 ZINC000344237105 354186229 /nfs/dbraw/zinc/18/62/29/354186229.db2.gz AGZDVBOIFYJPEC-ZDUSSCGKSA-N 0 3 241.334 3.789 20 0 BHADHN CC[C@H](NCc1ccc(C)cc1)c1ccncc1 ZINC000344554601 354292837 /nfs/dbraw/zinc/29/28/37/354292837.db2.gz QDWGRHGTMBWEJQ-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1ccc(C)cc1)c1ccncc1 ZINC000344554602 354292908 /nfs/dbraw/zinc/29/29/08/354292908.db2.gz QDWGRHGTMBWEJQ-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1sccc1C)c1ccncc1 ZINC000344578456 354309700 /nfs/dbraw/zinc/30/97/00/354309700.db2.gz FDQJPWAQIGQORO-CYBMUJFWSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@H](NCc1sccc1C)c1ccncc1 ZINC000344578457 354309519 /nfs/dbraw/zinc/30/95/19/354309519.db2.gz FDQJPWAQIGQORO-ZDUSSCGKSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@H](NCc1cccc(C)c1)c1ccncc1 ZINC000344583619 354311147 /nfs/dbraw/zinc/31/11/47/354311147.db2.gz LVCDZLPYDWFRRU-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1cccc(C)c1)c1ccncc1 ZINC000344583622 354310993 /nfs/dbraw/zinc/31/09/93/354310993.db2.gz LVCDZLPYDWFRRU-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@H](NCc1ccc(C)s1)c1ccncc1 ZINC000344589679 354321402 /nfs/dbraw/zinc/32/14/02/354321402.db2.gz VNFKPQCYQDVZJO-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1ccc(C)s1)c1ccncc1 ZINC000344589680 354321236 /nfs/dbraw/zinc/32/12/36/354321236.db2.gz VNFKPQCYQDVZJO-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@H](NCc1ccccc1C)c1ccncc1 ZINC000344591192 354321246 /nfs/dbraw/zinc/32/12/46/354321246.db2.gz YOCINWDPWADTGR-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1ccccc1C)c1ccncc1 ZINC000344591194 354321669 /nfs/dbraw/zinc/32/16/69/354321669.db2.gz YOCINWDPWADTGR-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN Cc1csc(CNCc2csc(C)c2)c1 ZINC000344604635 388507717 /nfs/dbraw/zinc/50/77/17/388507717.db2.gz AXLBQOYHQGWSOE-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN Cc1csc(CNCc2sccc2C)c1 ZINC000344612630 388507890 /nfs/dbraw/zinc/50/78/90/388507890.db2.gz OAVFLABQGPUORA-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN Cc1csc(CN[C@H](C)c2cccc(O)c2)c1 ZINC000344613430 388507951 /nfs/dbraw/zinc/50/79/51/388507951.db2.gz OWZKJMLYVJZYDT-LLVKDONJSA-N 0 3 247.363 3.613 20 0 BHADHN Cc1csc(CN[C@@H](C)c2cccc(O)c2)c1 ZINC000344613431 388507839 /nfs/dbraw/zinc/50/78/39/388507839.db2.gz OWZKJMLYVJZYDT-NSHDSACASA-N 0 3 247.363 3.613 20 0 BHADHN Cc1csc(CN[C@@H](C)c2ccsc2)c1 ZINC000344617330 188084907 /nfs/dbraw/zinc/08/49/07/188084907.db2.gz VAHWVYHFOBQRJC-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN Cc1csc(CN[C@H](C)c2ccsc2)c1 ZINC000344617331 388507733 /nfs/dbraw/zinc/50/77/33/388507733.db2.gz VAHWVYHFOBQRJC-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN Cc1csc(CNCc2ccsc2C)c1 ZINC000344620555 188256911 /nfs/dbraw/zinc/25/69/11/188256911.db2.gz JGIQGZLXTCCPHC-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN Cc1csc(CNCc2ccc(C)s2)c1 ZINC000344620839 398082023 /nfs/dbraw/zinc/08/20/23/398082023.db2.gz YMBXKASKIFYWGG-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN Cc1ccc(CC[C@@H](C)NCc2ccc(C)o2)o1 ZINC000344632887 354331507 /nfs/dbraw/zinc/33/15/07/354331507.db2.gz STSIFWZAVVCJCE-LLVKDONJSA-N 0 3 247.338 3.600 20 0 BHADHN Cc1ccc(CC[C@H](C)NCc2ccc(C)o2)o1 ZINC000344632893 354331480 /nfs/dbraw/zinc/33/14/80/354331480.db2.gz STSIFWZAVVCJCE-NSHDSACASA-N 0 3 247.338 3.600 20 0 BHADHN Cc1ccc(CC[C@@H](C)NCc2occc2C)o1 ZINC000344634068 354331333 /nfs/dbraw/zinc/33/13/33/354331333.db2.gz TWSIGIUNWTUZKO-GFCCVEGCSA-N 0 3 247.338 3.600 20 0 BHADHN Cc1ccc(CC[C@H](C)NCc2occc2C)o1 ZINC000344634069 354331338 /nfs/dbraw/zinc/33/13/38/354331338.db2.gz TWSIGIUNWTUZKO-LBPRGKRZSA-N 0 3 247.338 3.600 20 0 BHADHN c1coc(CNC2(Cc3ccccc3)CCC2)c1 ZINC000344655044 354338811 /nfs/dbraw/zinc/33/88/11/354338811.db2.gz FEDXGJBOIYMEHH-UHFFFAOYSA-N 0 3 241.334 3.535 20 0 BHADHN CC(C)CCC[C@@H](C)NCc1ccc(F)cn1 ZINC000344674660 354344028 /nfs/dbraw/zinc/34/40/28/354344028.db2.gz HOJWVDKQMNNUIF-GFCCVEGCSA-N 0 3 238.350 3.525 20 0 BHADHN CC(C)CCC[C@H](C)NCc1ccc(F)cn1 ZINC000344674661 354344060 /nfs/dbraw/zinc/34/40/60/354344060.db2.gz HOJWVDKQMNNUIF-LBPRGKRZSA-N 0 3 238.350 3.525 20 0 BHADHN CCCCCN(Cc1cncc(F)c1)C(C)C ZINC000344685008 354333305 /nfs/dbraw/zinc/33/33/05/354333305.db2.gz YMYJGEIVFCVOTQ-UHFFFAOYSA-N 0 3 238.350 3.621 20 0 BHADHN CC1(CNCc2ccc(-c3ccccc3)o2)CC1 ZINC000344688037 354334460 /nfs/dbraw/zinc/33/44/60/354334460.db2.gz CMLLFJZIAHFFIP-UHFFFAOYSA-N 0 3 241.334 3.836 20 0 BHADHN CCc1ccc(CN[C@H]2CCCC(F)(F)C2)o1 ZINC000344766000 354356568 /nfs/dbraw/zinc/35/65/68/354356568.db2.gz BFRLFLKTBACUAG-JTQLQIEISA-N 0 3 243.297 3.510 20 0 BHADHN CCc1ccc(CN[C@@H]2CCCC(F)(F)C2)o1 ZINC000344766001 354356661 /nfs/dbraw/zinc/35/66/61/354356661.db2.gz BFRLFLKTBACUAG-SNVBAGLBSA-N 0 3 243.297 3.510 20 0 BHADHN CC1(C)CN(Cc2ccco2)CC(C)(C)C1 ZINC000344881751 386789651 /nfs/dbraw/zinc/78/96/51/386789651.db2.gz HVHWDIZZHSXLSM-UHFFFAOYSA-N 0 3 221.344 3.538 20 0 BHADHN Cc1ccc(CN2CC(C)(C)CC(C)(C)C2)cn1 ZINC000344895792 386795307 /nfs/dbraw/zinc/79/53/07/386795307.db2.gz OJUSWARLFKPELC-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CCc1ccc(CNCC2(C3CC3)CCC2)o1 ZINC000345022034 388510023 /nfs/dbraw/zinc/51/00/23/388510023.db2.gz QIALTVWXXATQIN-UHFFFAOYSA-N 0 3 233.355 3.512 20 0 BHADHN C[C@@H]1[C@H](NCc2ccoc2)C[C@H]1c1ccccc1 ZINC000345042458 398272855 /nfs/dbraw/zinc/27/28/55/398272855.db2.gz NHJKQWSRMKQCMQ-APHBMKBZSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCc1ccoc1 ZINC000345042459 398272572 /nfs/dbraw/zinc/27/25/72/398272572.db2.gz NHJKQWSRMKQCMQ-MAZHCROVSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@@H]1[C@@H](NCc2ccoc2)C[C@@H]1c1ccccc1 ZINC000345042460 398272894 /nfs/dbraw/zinc/27/28/94/398272894.db2.gz NHJKQWSRMKQCMQ-RCBQFDQVSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@@H]1[C@H](NCc2ccoc2)C[C@@H]1c1ccccc1 ZINC000345042461 398272788 /nfs/dbraw/zinc/27/27/88/398272788.db2.gz NHJKQWSRMKQCMQ-VBNZEHGJSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@@H]1C[C@H](NCC(C)(C)C(C)(C)C)c2nccn21 ZINC000345353320 383950433 /nfs/dbraw/zinc/95/04/33/383950433.db2.gz KCIBIVJSDAYSFG-NEPJUHHUSA-N 0 3 249.402 3.551 20 0 BHADHN C[C@H]1C[C@@H](NCC(C)(C)C(C)(C)C)c2nccn21 ZINC000345353322 177330573 /nfs/dbraw/zinc/33/05/73/177330573.db2.gz KCIBIVJSDAYSFG-NWDGAFQWSA-N 0 3 249.402 3.551 20 0 BHADHN C[C@H]1C[C@H](NCC(C)(C)C(C)(C)C)c2nccn21 ZINC000345353324 177368610 /nfs/dbraw/zinc/36/86/10/177368610.db2.gz KCIBIVJSDAYSFG-RYUDHWBXSA-N 0 3 249.402 3.551 20 0 BHADHN C[C@@H]1C[C@@H](NCC(C)(C)C(C)(C)C)c2nccn21 ZINC000345353325 176374669 /nfs/dbraw/zinc/37/46/69/176374669.db2.gz KCIBIVJSDAYSFG-VXGBXAGGSA-N 0 3 249.402 3.551 20 0 BHADHN CC(C)CCC[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345354470 388513002 /nfs/dbraw/zinc/51/30/02/388513002.db2.gz LLIUAXKBSOHXGE-BFHYXJOUSA-N 0 3 249.402 3.693 20 0 BHADHN CC(C)CCC[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000345354471 388513601 /nfs/dbraw/zinc/51/36/01/388513601.db2.gz LLIUAXKBSOHXGE-IHRRRGAJSA-N 0 3 249.402 3.693 20 0 BHADHN CC(C)CCC[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000345354472 388514173 /nfs/dbraw/zinc/51/41/73/388514173.db2.gz LLIUAXKBSOHXGE-MELADBBJSA-N 0 3 249.402 3.693 20 0 BHADHN CC(C)CCC[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000345354473 388514130 /nfs/dbraw/zinc/51/41/30/388514130.db2.gz LLIUAXKBSOHXGE-MJBXVCDLSA-N 0 3 249.402 3.693 20 0 BHADHN C[C@@H](CCC1CC1)NCc1ccc(F)cc1F ZINC000345809027 344516347 /nfs/dbraw/zinc/51/63/47/344516347.db2.gz JNAWMPPLFPPJDB-JTQLQIEISA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H](CCC1CC1)NCc1ccc(F)cc1F ZINC000345809028 344516513 /nfs/dbraw/zinc/51/65/13/344516513.db2.gz JNAWMPPLFPPJDB-SNVBAGLBSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H](CCC1CC1)NCc1cc(F)ccc1F ZINC000345812793 365918303 /nfs/dbraw/zinc/91/83/03/365918303.db2.gz GOZCUROKTWVMEE-JTQLQIEISA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H](CCC1CC1)NCc1cc(F)ccc1F ZINC000345812794 365919203 /nfs/dbraw/zinc/91/92/03/365919203.db2.gz GOZCUROKTWVMEE-SNVBAGLBSA-N 0 3 239.309 3.633 20 0 BHADHN Cc1cccc(CN2CCC[C@@H](CC(C)C)C2)n1 ZINC000345877844 354794685 /nfs/dbraw/zinc/79/46/85/354794685.db2.gz YNNZLASXBYRMQO-HNNXBMFYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1cccc(CN2CCC[C@H](CC(C)C)C2)n1 ZINC000345877846 354795483 /nfs/dbraw/zinc/79/54/83/354795483.db2.gz YNNZLASXBYRMQO-OAHLLOKOSA-N 0 3 246.398 3.648 20 0 BHADHN C[C@H]1CCCC[C@@H]1CN(C)Cc1ccoc1 ZINC000346133075 177079629 /nfs/dbraw/zinc/07/96/29/177079629.db2.gz MDJXACBVKWXMQH-GXTWGEPZSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@H]1CCCC[C@H]1CN(C)Cc1ccoc1 ZINC000346133076 177085160 /nfs/dbraw/zinc/08/51/60/177085160.db2.gz MDJXACBVKWXMQH-JSGCOSHPSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@@H]1CCCC[C@H]1CN(C)Cc1ccoc1 ZINC000346133077 176084282 /nfs/dbraw/zinc/08/42/82/176084282.db2.gz MDJXACBVKWXMQH-OCCSQVGLSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@@H]1CCCC[C@@H]1CN(C)Cc1ccoc1 ZINC000346133078 176075297 /nfs/dbraw/zinc/07/52/97/176075297.db2.gz MDJXACBVKWXMQH-TZMCWYRMSA-N 0 3 221.344 3.538 20 0 BHADHN CCc1cnc(CN(CC(C)C)C(C)C)s1 ZINC000346140201 354870991 /nfs/dbraw/zinc/87/09/91/354870991.db2.gz XDOQBQGASSTODX-UHFFFAOYSA-N 0 3 240.416 3.572 20 0 BHADHN CCCN(Cc1ncc(CC)s1)CC(C)C ZINC000346166743 169180299 /nfs/dbraw/zinc/18/02/99/169180299.db2.gz GEQDYFNFGACXDZ-UHFFFAOYSA-N 0 3 240.416 3.574 20 0 BHADHN CCc1cnc(CN(CC)[C@H](C)C(C)C)s1 ZINC000346189849 354875871 /nfs/dbraw/zinc/87/58/71/354875871.db2.gz ZSEDMCXZHDFILH-LLVKDONJSA-N 0 3 240.416 3.572 20 0 BHADHN CCc1cnc(CN(CC)[C@@H](C)C(C)C)s1 ZINC000346189850 354876174 /nfs/dbraw/zinc/87/61/74/354876174.db2.gz ZSEDMCXZHDFILH-NSHDSACASA-N 0 3 240.416 3.572 20 0 BHADHN Cc1cccc(CN(C)C[C@H]2CCCC[C@@H]2C)n1 ZINC000346194236 179066580 /nfs/dbraw/zinc/06/65/80/179066580.db2.gz XZUSXCDKTZYVAY-DZGCQCFKSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1cccc(CN(C)C[C@@H]2CCCC[C@H]2C)n1 ZINC000346194238 179065117 /nfs/dbraw/zinc/06/51/17/179065117.db2.gz XZUSXCDKTZYVAY-HIFRSBDPSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1cccc(CN(C)C[C@H]2CCCC[C@H]2C)n1 ZINC000346194239 179066562 /nfs/dbraw/zinc/06/65/62/179066562.db2.gz XZUSXCDKTZYVAY-UKRRQHHQSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1cccc(CN(C)C[C@@H]2CCCC[C@@H]2C)n1 ZINC000346194241 179067292 /nfs/dbraw/zinc/06/72/92/179067292.db2.gz XZUSXCDKTZYVAY-ZFWWWQNUSA-N 0 3 246.398 3.648 20 0 BHADHN CCCN(CC)Cc1cc(-c2ccccc2)no1 ZINC000346288173 169130231 /nfs/dbraw/zinc/13/02/31/169130231.db2.gz FAHUGODJFXXUJN-UHFFFAOYSA-N 0 3 244.338 3.574 20 0 BHADHN CCCN(CC)Cc1nc2ccccc2s1 ZINC000346351894 354888212 /nfs/dbraw/zinc/88/82/12/354888212.db2.gz XNGLNFRAPXVPAR-UHFFFAOYSA-N 0 3 234.368 3.528 20 0 BHADHN Cc1occc1CN(C)CCc1ccc(C)cc1 ZINC000346425688 354926836 /nfs/dbraw/zinc/92/68/36/354926836.db2.gz LZTZHYJKEMLMDK-UHFFFAOYSA-N 0 3 243.350 3.571 20 0 BHADHN Cc1ccc(CN(C)CCc2ccc(C)cc2)o1 ZINC000346428428 354928468 /nfs/dbraw/zinc/92/84/68/354928468.db2.gz VSWWRHZWVPZGTI-UHFFFAOYSA-N 0 3 243.350 3.571 20 0 BHADHN C[C@H](N[C@H]1CC1(C)C)c1cc(F)c(F)c(F)c1 ZINC000346560665 354968374 /nfs/dbraw/zinc/96/83/74/354968374.db2.gz JPAALTWYISZWSM-CPCISQLKSA-N 0 3 243.272 3.553 20 0 BHADHN C[C@@H](N[C@H]1CC1(C)C)c1cc(F)c(F)c(F)c1 ZINC000346560666 354968175 /nfs/dbraw/zinc/96/81/75/354968175.db2.gz JPAALTWYISZWSM-HQJQHLMTSA-N 0 3 243.272 3.553 20 0 BHADHN C[C@@H](N[C@@H]1CC1(C)C)c1cc(F)c(F)c(F)c1 ZINC000346560667 354968417 /nfs/dbraw/zinc/96/84/17/354968417.db2.gz JPAALTWYISZWSM-RDDDGLTNSA-N 0 3 243.272 3.553 20 0 BHADHN C[C@H](N[C@@H]1CC1(C)C)c1cc(F)c(F)c(F)c1 ZINC000346560668 354968543 /nfs/dbraw/zinc/96/85/43/354968543.db2.gz JPAALTWYISZWSM-WRWORJQWSA-N 0 3 243.272 3.553 20 0 BHADHN CC(C)C[C@H](N[C@H]1CC1(C)C)c1ccccn1 ZINC000346566362 354970336 /nfs/dbraw/zinc/97/03/36/354970336.db2.gz FOJSOHNXNGQZHA-KBPBESRZSA-N 0 3 232.371 3.557 20 0 BHADHN CC(C)C[C@@H](N[C@H]1CC1(C)C)c1ccccn1 ZINC000346566363 354970301 /nfs/dbraw/zinc/97/03/01/354970301.db2.gz FOJSOHNXNGQZHA-KGLIPLIRSA-N 0 3 232.371 3.557 20 0 BHADHN CC(C)C[C@H](N[C@@H]1CC1(C)C)c1ccccn1 ZINC000346566364 354970630 /nfs/dbraw/zinc/97/06/30/354970630.db2.gz FOJSOHNXNGQZHA-UONOGXRCSA-N 0 3 232.371 3.557 20 0 BHADHN CC(C)C[C@@H](N[C@@H]1CC1(C)C)c1ccccn1 ZINC000346566365 354970552 /nfs/dbraw/zinc/97/05/52/354970552.db2.gz FOJSOHNXNGQZHA-ZIAGYGMSSA-N 0 3 232.371 3.557 20 0 BHADHN Cc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CC1(C)C ZINC000346568784 354971073 /nfs/dbraw/zinc/97/10/73/354971073.db2.gz ROLKXZVUDXDFMV-DZGCQCFKSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2c(c1)OCCC[C@H]2N[C@H]1CC1(C)C ZINC000346568785 354971053 /nfs/dbraw/zinc/97/10/53/354971053.db2.gz ROLKXZVUDXDFMV-HIFRSBDPSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2c(c1)OCCC[C@H]2N[C@@H]1CC1(C)C ZINC000346568786 135938496 /nfs/dbraw/zinc/93/84/96/135938496.db2.gz ROLKXZVUDXDFMV-UKRRQHHQSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CC1(C)C ZINC000346568787 354971313 /nfs/dbraw/zinc/97/13/13/354971313.db2.gz ROLKXZVUDXDFMV-ZFWWWQNUSA-N 0 3 245.366 3.597 20 0 BHADHN C[C@@H](N[C@H]1CC1(C)C)c1ccc2ccccc2n1 ZINC000346572168 354972986 /nfs/dbraw/zinc/97/29/86/354972986.db2.gz ZAVXNWVYOKKNDY-ABAIWWIYSA-N 0 3 240.350 3.684 20 0 BHADHN C[C@@H](N[C@@H]1CC1(C)C)c1ccc2ccccc2n1 ZINC000346572170 354972794 /nfs/dbraw/zinc/97/27/94/354972794.db2.gz ZAVXNWVYOKKNDY-IAQYHMDHSA-N 0 3 240.350 3.684 20 0 BHADHN C[C@H](N[C@H]1CC1(C)C)c1ccc2ccccc2n1 ZINC000346572172 354972975 /nfs/dbraw/zinc/97/29/75/354972975.db2.gz ZAVXNWVYOKKNDY-NHYWBVRUSA-N 0 3 240.350 3.684 20 0 BHADHN C[C@H](N[C@@H]1CC1(C)C)c1ccc2ccccc2n1 ZINC000346572174 354972993 /nfs/dbraw/zinc/97/29/93/354972993.db2.gz ZAVXNWVYOKKNDY-XHDPSFHLSA-N 0 3 240.350 3.684 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CC1(C)C)CCCO2 ZINC000346584169 355001439 /nfs/dbraw/zinc/00/14/39/355001439.db2.gz XASIDSDPXPIBBQ-DZGCQCFKSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@H]1CC1(C)C)CCCO2 ZINC000346584173 135945076 /nfs/dbraw/zinc/94/50/76/135945076.db2.gz XASIDSDPXPIBBQ-HIFRSBDPSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CC1(C)C)CCCO2 ZINC000346584176 355001350 /nfs/dbraw/zinc/00/13/50/355001350.db2.gz XASIDSDPXPIBBQ-UKRRQHHQSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@H]1CC1(C)C)CCCO2 ZINC000346584178 355001322 /nfs/dbraw/zinc/00/13/22/355001322.db2.gz XASIDSDPXPIBBQ-ZFWWWQNUSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1cccc(CN(C)CCC2CCCCC2)n1 ZINC000346641402 355016470 /nfs/dbraw/zinc/01/64/70/355016470.db2.gz KGTUCKVJDXISEA-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN Cc1cccc(CN2CCC(C(C)(C)C)CC2)n1 ZINC000346644263 355017295 /nfs/dbraw/zinc/01/72/95/355017295.db2.gz ORTXWAHJUBVXOA-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc([C@H](C)N(C)CCOC2CCC2)cc1 ZINC000346835496 355131795 /nfs/dbraw/zinc/13/17/95/355131795.db2.gz ZNQBNEVDOMKCSU-AWEZNQCLSA-N 0 3 247.382 3.557 20 0 BHADHN Cc1ccc([C@@H](C)N(C)CCOC2CCC2)cc1 ZINC000346835497 355131420 /nfs/dbraw/zinc/13/14/20/355131420.db2.gz ZNQBNEVDOMKCSU-CQSZACIVSA-N 0 3 247.382 3.557 20 0 BHADHN C[C@@H](NC(C)(C)c1cccs1)c1cccnc1 ZINC000346880755 355144164 /nfs/dbraw/zinc/14/41/64/355144164.db2.gz JRFGUBUYPQSXPK-LLVKDONJSA-N 0 3 246.379 3.729 20 0 BHADHN C[C@H](NC(C)(C)c1cccs1)c1cccnc1 ZINC000346880756 355143789 /nfs/dbraw/zinc/14/37/89/355143789.db2.gz JRFGUBUYPQSXPK-NSHDSACASA-N 0 3 246.379 3.729 20 0 BHADHN C[C@H]1c2ccccc2CN1C[C@@H]1Cc2ccccc21 ZINC000346949907 355163427 /nfs/dbraw/zinc/16/34/27/355163427.db2.gz AZHINYZCCHSRLZ-BBRMVZONSA-N 0 3 249.357 3.903 20 0 BHADHN C[C@@H]1c2ccccc2CN1C[C@@H]1Cc2ccccc21 ZINC000346949909 355163645 /nfs/dbraw/zinc/16/36/45/355163645.db2.gz AZHINYZCCHSRLZ-CJNGLKHVSA-N 0 3 249.357 3.903 20 0 BHADHN C[C@@H]1c2ccccc2CN1C[C@H]1Cc2ccccc21 ZINC000346949911 355163248 /nfs/dbraw/zinc/16/32/48/355163248.db2.gz AZHINYZCCHSRLZ-CZUORRHYSA-N 0 3 249.357 3.903 20 0 BHADHN C[C@H]1c2ccccc2CN1C[C@H]1Cc2ccccc21 ZINC000346949913 355163393 /nfs/dbraw/zinc/16/33/93/355163393.db2.gz AZHINYZCCHSRLZ-XJKSGUPXSA-N 0 3 249.357 3.903 20 0 BHADHN Fc1cncc(CN2CCCC23CCCCC3)c1 ZINC000346999249 355197082 /nfs/dbraw/zinc/19/70/82/355197082.db2.gz PWWFZPQFZAMQTE-UHFFFAOYSA-N 0 3 248.345 3.519 20 0 BHADHN Cc1ccc2c(c1)CN(C[C@@H]1Cc3ccccc31)C2 ZINC000347116661 386235703 /nfs/dbraw/zinc/23/57/03/386235703.db2.gz WSJVWWOBHOKAKL-KRWDZBQOSA-N 0 3 249.357 3.651 20 0 BHADHN Cc1ccc2c(c1)CN(C[C@H]1Cc3ccccc31)C2 ZINC000347116662 386234290 /nfs/dbraw/zinc/23/42/90/386234290.db2.gz WSJVWWOBHOKAKL-QGZVFWFLSA-N 0 3 249.357 3.651 20 0 BHADHN Clc1ccc(CN2CCCC3(CC3)C2)cc1 ZINC000347219560 386287907 /nfs/dbraw/zinc/28/79/07/386287907.db2.gz JBOXYBPIZKMGGH-UHFFFAOYSA-N 0 3 235.758 3.716 20 0 BHADHN C[C@H]1c2ccccc2CN1CC[C@H]1CCCCO1 ZINC000347444278 386408021 /nfs/dbraw/zinc/40/80/21/386408021.db2.gz RUTUYNFMWMAIHV-DZGCQCFKSA-N 0 3 245.366 3.522 20 0 BHADHN C[C@@H]1c2ccccc2CN1CC[C@@H]1CCCCO1 ZINC000347444280 386407704 /nfs/dbraw/zinc/40/77/04/386407704.db2.gz RUTUYNFMWMAIHV-HIFRSBDPSA-N 0 3 245.366 3.522 20 0 BHADHN C[C@@H]1c2ccccc2CN1CC[C@H]1CCCCO1 ZINC000347444282 386407335 /nfs/dbraw/zinc/40/73/35/386407335.db2.gz RUTUYNFMWMAIHV-UKRRQHHQSA-N 0 3 245.366 3.522 20 0 BHADHN C[C@H]1c2ccccc2CN1CC[C@@H]1CCCCO1 ZINC000347444284 386407446 /nfs/dbraw/zinc/40/74/46/386407446.db2.gz RUTUYNFMWMAIHV-ZFWWWQNUSA-N 0 3 245.366 3.522 20 0 BHADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cccnc1 ZINC000347575107 386455032 /nfs/dbraw/zinc/45/50/32/386455032.db2.gz CNWFGPUUISMWIV-DZGCQCFKSA-N 0 3 246.398 3.728 20 0 BHADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cccnc1 ZINC000347575108 386455748 /nfs/dbraw/zinc/45/57/48/386455748.db2.gz CNWFGPUUISMWIV-HIFRSBDPSA-N 0 3 246.398 3.728 20 0 BHADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cccnc1 ZINC000347575109 386456168 /nfs/dbraw/zinc/45/61/68/386456168.db2.gz CNWFGPUUISMWIV-UKRRQHHQSA-N 0 3 246.398 3.728 20 0 BHADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cccnc1 ZINC000347575110 386454288 /nfs/dbraw/zinc/45/42/88/386454288.db2.gz CNWFGPUUISMWIV-ZFWWWQNUSA-N 0 3 246.398 3.728 20 0 BHADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccccn1 ZINC000347596521 355251218 /nfs/dbraw/zinc/25/12/18/355251218.db2.gz IWXWIIQMMIRTJB-KBPBESRZSA-N 0 3 246.398 3.728 20 0 BHADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccccn1 ZINC000347596522 355250793 /nfs/dbraw/zinc/25/07/93/355250793.db2.gz IWXWIIQMMIRTJB-KGLIPLIRSA-N 0 3 246.398 3.728 20 0 BHADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1ccccn1 ZINC000347596523 355251022 /nfs/dbraw/zinc/25/10/22/355251022.db2.gz IWXWIIQMMIRTJB-UONOGXRCSA-N 0 3 246.398 3.728 20 0 BHADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1ccccn1 ZINC000347596524 355250783 /nfs/dbraw/zinc/25/07/83/355250783.db2.gz IWXWIIQMMIRTJB-ZIAGYGMSSA-N 0 3 246.398 3.728 20 0 BHADHN CCc1ccc(CN(C)CC2CCCCC2)cn1 ZINC000347613848 355235578 /nfs/dbraw/zinc/23/55/78/355235578.db2.gz PDMKHCBNZUKJCW-UHFFFAOYSA-N 0 3 246.398 3.656 20 0 BHADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1ccncc1 ZINC000347624069 355239309 /nfs/dbraw/zinc/23/93/09/355239309.db2.gz ZJSIABMNEYVVQR-DZGCQCFKSA-N 0 3 246.398 3.728 20 0 BHADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccncc1 ZINC000347624071 355239085 /nfs/dbraw/zinc/23/90/85/355239085.db2.gz ZJSIABMNEYVVQR-HIFRSBDPSA-N 0 3 246.398 3.728 20 0 BHADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1ccncc1 ZINC000347624072 355239383 /nfs/dbraw/zinc/23/93/83/355239383.db2.gz ZJSIABMNEYVVQR-UKRRQHHQSA-N 0 3 246.398 3.728 20 0 BHADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccncc1 ZINC000347624073 355239546 /nfs/dbraw/zinc/23/95/46/355239546.db2.gz ZJSIABMNEYVVQR-ZFWWWQNUSA-N 0 3 246.398 3.728 20 0 BHADHN CCc1ccc(CN(CCC(C)C)C2CC2)cn1 ZINC000347656955 538622399 /nfs/dbraw/zinc/62/23/99/538622399.db2.gz UHMKXRGMKJTMNN-UHFFFAOYSA-N 0 3 246.398 3.655 20 0 BHADHN CC1CCN(Cc2ccc3occc3c2)CC1 ZINC000347670596 355259866 /nfs/dbraw/zinc/25/98/66/355259866.db2.gz KYNSAPJXZCGGQW-UHFFFAOYSA-N 0 3 229.323 3.665 20 0 BHADHN C[C@@H]1CCCCN1Cc1ccccc1OC1CC1 ZINC000347734724 136004563 /nfs/dbraw/zinc/00/45/63/136004563.db2.gz ZVLRGAPJHLLVHM-CYBMUJFWSA-N 0 3 245.366 3.602 20 0 BHADHN C[C@H]1CCCCN1Cc1ccccc1OC1CC1 ZINC000347734726 136004505 /nfs/dbraw/zinc/00/45/05/136004505.db2.gz ZVLRGAPJHLLVHM-ZDUSSCGKSA-N 0 3 245.366 3.602 20 0 BHADHN CC(C)N(Cc1ccccc1OC1CC1)C1CC1 ZINC000347755623 136011322 /nfs/dbraw/zinc/01/13/22/136011322.db2.gz MYGQLYSRGUDCDM-UHFFFAOYSA-N 0 3 245.366 3.601 20 0 BHADHN CCc1ccc(CN2CC[C@@H](CC(C)C)C2)cn1 ZINC000347786542 536178373 /nfs/dbraw/zinc/17/83/73/536178373.db2.gz RFJUJOLLWWREFZ-AWEZNQCLSA-N 0 3 246.398 3.512 20 0 BHADHN CCc1ccc(CN2CC[C@H](CC(C)C)C2)cn1 ZINC000347786543 136009596 /nfs/dbraw/zinc/00/95/96/136009596.db2.gz RFJUJOLLWWREFZ-CQSZACIVSA-N 0 3 246.398 3.512 20 0 BHADHN CCc1ccc(CN2CCC(CC)(CC)C2)cn1 ZINC000347794083 136010176 /nfs/dbraw/zinc/01/01/76/136010176.db2.gz YLTAEQAIYNXFSV-UHFFFAOYSA-N 0 3 246.398 3.656 20 0 BHADHN CCc1ccc(CN2CCC(C)(CC)CC2)cn1 ZINC000347846394 136012550 /nfs/dbraw/zinc/01/25/50/136012550.db2.gz MXLBKBAXNAMUJF-UHFFFAOYSA-N 0 3 246.398 3.656 20 0 BHADHN Cc1occc1CN(C)[C@H]1CCc2ccccc21 ZINC000347854722 136012918 /nfs/dbraw/zinc/01/29/18/136012918.db2.gz ROQLFKBVWHROER-INIZCTEOSA-N 0 3 241.334 3.707 20 0 BHADHN Cc1occc1CN(C)[C@@H]1CCc2ccccc21 ZINC000347854724 136013091 /nfs/dbraw/zinc/01/30/91/136013091.db2.gz ROQLFKBVWHROER-MRXNPFEDSA-N 0 3 241.334 3.707 20 0 BHADHN c1cc2cc(CN3CCC34CCC4)ccc2o1 ZINC000347860599 136293554 /nfs/dbraw/zinc/29/35/54/136293554.db2.gz HPIHGZHVPLYNKZ-UHFFFAOYSA-N 0 3 227.307 3.561 20 0 BHADHN CCc1ccc(CN2CCC[C@H](CC)CC2)cn1 ZINC000347860959 136293292 /nfs/dbraw/zinc/29/32/92/136293292.db2.gz SWHPZFQSYZDQRH-AWEZNQCLSA-N 0 3 246.398 3.656 20 0 BHADHN CCc1ccc(CN2CCC[C@@H](CC)CC2)cn1 ZINC000347860960 136293090 /nfs/dbraw/zinc/29/30/90/136293090.db2.gz SWHPZFQSYZDQRH-CQSZACIVSA-N 0 3 246.398 3.656 20 0 BHADHN CC1=CCN(Cc2ccc3occc3c2)CC1 ZINC000347861874 136293251 /nfs/dbraw/zinc/29/32/51/136293251.db2.gz VKXKBZGARPZGQV-UHFFFAOYSA-N 0 3 227.307 3.585 20 0 BHADHN CCc1ccc(CN2CCC[C@](C)(CC)C2)cn1 ZINC000347862659 136293520 /nfs/dbraw/zinc/29/35/20/136293520.db2.gz MAFCNLWBEISMPS-INIZCTEOSA-N 0 3 246.398 3.656 20 0 BHADHN CCc1ccc(CN2CCC[C@@](C)(CC)C2)cn1 ZINC000347862661 136293087 /nfs/dbraw/zinc/29/30/87/136293087.db2.gz MAFCNLWBEISMPS-MRXNPFEDSA-N 0 3 246.398 3.656 20 0 BHADHN CCC[C@H]1CCCN(Cc2ccc(CC)nc2)C1 ZINC000347882743 136014943 /nfs/dbraw/zinc/01/49/43/136014943.db2.gz PHWVYPKXVNVZND-AWEZNQCLSA-N 0 3 246.398 3.656 20 0 BHADHN CCC[C@@H]1CCCN(Cc2ccc(CC)nc2)C1 ZINC000347882748 136014845 /nfs/dbraw/zinc/01/48/45/136014845.db2.gz PHWVYPKXVNVZND-CQSZACIVSA-N 0 3 246.398 3.656 20 0 BHADHN CC(C)[C@@H]1CCN1Cc1ccc2occc2c1 ZINC000347962952 136017902 /nfs/dbraw/zinc/01/79/02/136017902.db2.gz QINBUOGUZPHMQD-AWEZNQCLSA-N 0 3 229.323 3.663 20 0 BHADHN CC(C)[C@H]1CCN1Cc1ccc2occc2c1 ZINC000347962957 535202276 /nfs/dbraw/zinc/20/22/76/535202276.db2.gz QINBUOGUZPHMQD-CQSZACIVSA-N 0 3 229.323 3.663 20 0 BHADHN FC(F)c1cccc(CN2CCCCC2)c1 ZINC000347964905 136017871 /nfs/dbraw/zinc/01/78/71/136017871.db2.gz DAUKQAWWARRHMF-UHFFFAOYSA-N 0 3 225.282 3.610 20 0 BHADHN CC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000347970161 136017986 /nfs/dbraw/zinc/01/79/86/136017986.db2.gz MCVWMIYZEUPGDB-UHFFFAOYSA-N 0 3 239.309 3.856 20 0 BHADHN C[C@@H]1CCCN(Cc2cccc(C(F)F)c2)C1 ZINC000347973414 136022483 /nfs/dbraw/zinc/02/24/83/136022483.db2.gz QZRLEWBZACMAMZ-LLVKDONJSA-N 0 3 239.309 3.856 20 0 BHADHN C[C@H]1CCCN(Cc2cccc(C(F)F)c2)C1 ZINC000347973415 136022678 /nfs/dbraw/zinc/02/26/78/136022678.db2.gz QZRLEWBZACMAMZ-NSHDSACASA-N 0 3 239.309 3.856 20 0 BHADHN C[C@@H]1CCCCN1Cc1cccc(C(F)F)c1 ZINC000347973481 136022923 /nfs/dbraw/zinc/02/29/23/136022923.db2.gz RKXDIGLVZANPBP-LLVKDONJSA-N 0 3 239.309 3.999 20 0 BHADHN C[C@H]1CCCCN1Cc1cccc(C(F)F)c1 ZINC000347973485 136022898 /nfs/dbraw/zinc/02/28/98/136022898.db2.gz RKXDIGLVZANPBP-NSHDSACASA-N 0 3 239.309 3.999 20 0 BHADHN CC1(C)CCCN1Cc1cccc(C(F)F)c1 ZINC000348027711 136026803 /nfs/dbraw/zinc/02/68/03/136026803.db2.gz GALGMIVKVYVTOC-UHFFFAOYSA-N 0 3 239.309 3.999 20 0 BHADHN C[C@@H]1CCN(Cc2cccc(C(F)F)c2)[C@@H]1C ZINC000348044992 136029755 /nfs/dbraw/zinc/02/97/55/136029755.db2.gz CGAQQGBGQAYPSK-GHMZBOCLSA-N 0 3 239.309 3.855 20 0 BHADHN C[C@@H]1CCN(Cc2cccc(C(F)F)c2)[C@H]1C ZINC000348045000 136029664 /nfs/dbraw/zinc/02/96/64/136029664.db2.gz CGAQQGBGQAYPSK-MNOVXSKESA-N 0 3 239.309 3.855 20 0 BHADHN C[C@H]1CCN(Cc2cccc(C(F)F)c2)[C@H]1C ZINC000348045008 136029583 /nfs/dbraw/zinc/02/95/83/136029583.db2.gz CGAQQGBGQAYPSK-QWRGUYRKSA-N 0 3 239.309 3.855 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1cccc(C(F)F)c1 ZINC000348045012 136029766 /nfs/dbraw/zinc/02/97/66/136029766.db2.gz CGAQQGBGQAYPSK-WDEREUQCSA-N 0 3 239.309 3.855 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1cccc(C(F)F)c1 ZINC000348049052 136030700 /nfs/dbraw/zinc/03/07/00/136030700.db2.gz IKFYQLOGOJYPRQ-GHMZBOCLSA-N 0 3 239.309 3.997 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1cccc(C(F)F)c1 ZINC000348049053 136030526 /nfs/dbraw/zinc/03/05/26/136030526.db2.gz IKFYQLOGOJYPRQ-PHIMTYICSA-N 0 3 239.309 3.997 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1cccc(C(F)F)c1 ZINC000348049054 136030766 /nfs/dbraw/zinc/03/07/66/136030766.db2.gz IKFYQLOGOJYPRQ-QWRGUYRKSA-N 0 3 239.309 3.997 20 0 BHADHN CCN(CCCC1CCCC1)Cc1ccncc1 ZINC000348067623 136025899 /nfs/dbraw/zinc/02/58/99/136025899.db2.gz DKKHJYQGUJWKHX-UHFFFAOYSA-N 0 3 246.398 3.874 20 0 BHADHN Cc1cc([C@H](C)NC[C@@H](C)C(F)(F)F)c(C)o1 ZINC000348069403 136026363 /nfs/dbraw/zinc/02/63/63/136026363.db2.gz CEGPBYWWUMPWOI-APPZFPTMSA-N 0 3 249.276 3.745 20 0 BHADHN Cc1cc([C@H](C)NC[C@H](C)C(F)(F)F)c(C)o1 ZINC000348069406 136026381 /nfs/dbraw/zinc/02/63/81/136026381.db2.gz CEGPBYWWUMPWOI-CBAPKCEASA-N 0 3 249.276 3.745 20 0 BHADHN Cc1cc([C@@H](C)NC[C@H](C)C(F)(F)F)c(C)o1 ZINC000348069408 136026459 /nfs/dbraw/zinc/02/64/59/136026459.db2.gz CEGPBYWWUMPWOI-IONNQARKSA-N 0 3 249.276 3.745 20 0 BHADHN Cc1cc([C@@H](C)NC[C@@H](C)C(F)(F)F)c(C)o1 ZINC000348069410 136026426 /nfs/dbraw/zinc/02/64/26/136026426.db2.gz CEGPBYWWUMPWOI-VXNVDRBHSA-N 0 3 249.276 3.745 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2C[C@@H]2C(F)F)c(C)s1 ZINC000348154510 178255415 /nfs/dbraw/zinc/25/54/15/178255415.db2.gz WIKXMOPYMLGWHL-BKDNQFJXSA-N 0 3 245.338 3.669 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2C[C@@H]2C(F)F)c(C)s1 ZINC000348154511 178259747 /nfs/dbraw/zinc/25/97/47/178259747.db2.gz WIKXMOPYMLGWHL-SWPVVBRQSA-N 0 3 245.338 3.669 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]2C(F)F)c(C)s1 ZINC000348154512 178255638 /nfs/dbraw/zinc/25/56/38/178255638.db2.gz WIKXMOPYMLGWHL-WHGOUJPWSA-N 0 3 245.338 3.669 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2C[C@H]2C(F)F)c(C)s1 ZINC000348154513 178259201 /nfs/dbraw/zinc/25/92/01/178259201.db2.gz WIKXMOPYMLGWHL-XROYCOCOSA-N 0 3 245.338 3.669 20 0 BHADHN Fc1cccc(CN2CCCC3(CCC3)C2)c1 ZINC000348168559 136042140 /nfs/dbraw/zinc/04/21/40/136042140.db2.gz MUZVPRZNPUWORA-UHFFFAOYSA-N 0 3 233.330 3.592 20 0 BHADHN CCC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccsc1 ZINC000348171768 383930260 /nfs/dbraw/zinc/93/02/60/383930260.db2.gz VUXKOWZWVCCCFX-DCAQKATOSA-N 0 3 245.338 3.833 20 0 BHADHN CCC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccsc1 ZINC000348171770 136042481 /nfs/dbraw/zinc/04/24/81/136042481.db2.gz VUXKOWZWVCCCFX-GARJFASQSA-N 0 3 245.338 3.833 20 0 BHADHN CCC[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccsc1 ZINC000348171771 136042981 /nfs/dbraw/zinc/04/29/81/136042981.db2.gz VUXKOWZWVCCCFX-OUAUKWLOSA-N 0 3 245.338 3.833 20 0 BHADHN CCC[C@H](N[C@H]1C[C@H]1C(F)F)c1ccsc1 ZINC000348171772 136042663 /nfs/dbraw/zinc/04/26/63/136042663.db2.gz VUXKOWZWVCCCFX-VWYCJHECSA-N 0 3 245.338 3.833 20 0 BHADHN Fc1ccccc1CN1CCCC2(CCC2)C1 ZINC000348172570 136042912 /nfs/dbraw/zinc/04/29/12/136042912.db2.gz YUIMAMMUJQJKKO-UHFFFAOYSA-N 0 3 233.330 3.592 20 0 BHADHN c1cc2cc(CN3CCCC4(CC4)C3)ccc2o1 ZINC000348176920 136042800 /nfs/dbraw/zinc/04/28/00/136042800.db2.gz WRENFCXBEMCPMT-UHFFFAOYSA-N 0 3 241.334 3.809 20 0 BHADHN Fc1ccc(CN2CCCC3(CCC3)C2)cc1 ZINC000348177758 136043099 /nfs/dbraw/zinc/04/30/99/136043099.db2.gz HKYPHAZOJDSLNN-UHFFFAOYSA-N 0 3 233.330 3.592 20 0 BHADHN CN(Cc1cccc(C(F)F)c1)[C@@H]1CC1(C)C ZINC000348183274 136043995 /nfs/dbraw/zinc/04/39/95/136043995.db2.gz UPRFJSIIYDGLLL-GFCCVEGCSA-N 0 3 239.309 3.855 20 0 BHADHN CN(Cc1cccc(C(F)F)c1)[C@H]1CC1(C)C ZINC000348183275 488094928 /nfs/dbraw/zinc/09/49/28/488094928.db2.gz UPRFJSIIYDGLLL-LBPRGKRZSA-N 0 3 239.309 3.855 20 0 BHADHN CCc1ccc(CN2CCCCC(C)(C)C2)cn1 ZINC000348231856 136060885 /nfs/dbraw/zinc/06/08/85/136060885.db2.gz XJDMBTJQBZPSRA-UHFFFAOYSA-N 0 3 246.398 3.656 20 0 BHADHN CN(Cc1ccccc1Cl)CC1CCC1 ZINC000348236718 136061619 /nfs/dbraw/zinc/06/16/19/136061619.db2.gz PAJVBTSTPAMXLR-UHFFFAOYSA-N 0 3 223.747 3.572 20 0 BHADHN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cccs1 ZINC000348247177 136056890 /nfs/dbraw/zinc/05/68/90/136056890.db2.gz SDXWVCNRBUCFHR-PSASIEDQSA-N 0 3 249.301 3.521 20 0 BHADHN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cccs1 ZINC000348247179 136057007 /nfs/dbraw/zinc/05/70/07/136057007.db2.gz SDXWVCNRBUCFHR-SCZZXKLOSA-N 0 3 249.301 3.521 20 0 BHADHN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cccs1 ZINC000348247180 136056855 /nfs/dbraw/zinc/05/68/55/136056855.db2.gz SDXWVCNRBUCFHR-WCBMZHEXSA-N 0 3 249.301 3.521 20 0 BHADHN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cccs1 ZINC000348247182 136056545 /nfs/dbraw/zinc/05/65/45/136056545.db2.gz SDXWVCNRBUCFHR-WPRPVWTQSA-N 0 3 249.301 3.521 20 0 BHADHN CCc1ccc(CN2C[C@H](C)CC(C)(C)C2)cn1 ZINC000348260303 536180127 /nfs/dbraw/zinc/18/01/27/536180127.db2.gz IWQAFWQQHXABQM-CYBMUJFWSA-N 0 3 246.398 3.512 20 0 BHADHN CCc1ccc(CN2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000348260304 136057932 /nfs/dbraw/zinc/05/79/32/136057932.db2.gz IWQAFWQQHXABQM-ZDUSSCGKSA-N 0 3 246.398 3.512 20 0 BHADHN CCc1ccc(CN2CC[C@@H](C)C(C)(C)C2)cn1 ZINC000348262501 136057613 /nfs/dbraw/zinc/05/76/13/136057613.db2.gz OOFGKPNCCXTZPS-CYBMUJFWSA-N 0 3 246.398 3.512 20 0 BHADHN CCc1ccc(CN2CC[C@H](C)C(C)(C)C2)cn1 ZINC000348262502 136057649 /nfs/dbraw/zinc/05/76/49/136057649.db2.gz OOFGKPNCCXTZPS-ZDUSSCGKSA-N 0 3 246.398 3.512 20 0 BHADHN CN(CCCC1CCCC1)Cc1ccco1 ZINC000348273299 536329040 /nfs/dbraw/zinc/32/90/40/536329040.db2.gz FOHNRUSXPKLMRG-UHFFFAOYSA-N 0 3 221.344 3.682 20 0 BHADHN C[C@@H]1CCC[C@@H](CCN(C)Cc2cccnc2)C1 ZINC000348274964 136059398 /nfs/dbraw/zinc/05/93/98/136059398.db2.gz IONBBUJEQYGQDS-CABCVRRESA-N 0 3 246.398 3.730 20 0 BHADHN C[C@H]1CCC[C@@H](CCN(C)Cc2cccnc2)C1 ZINC000348274965 136059131 /nfs/dbraw/zinc/05/91/31/136059131.db2.gz IONBBUJEQYGQDS-GJZGRUSLSA-N 0 3 246.398 3.730 20 0 BHADHN C[C@@H]1CCC[C@H](CCN(C)Cc2cccnc2)C1 ZINC000348274966 136059408 /nfs/dbraw/zinc/05/94/08/136059408.db2.gz IONBBUJEQYGQDS-HUUCEWRRSA-N 0 3 246.398 3.730 20 0 BHADHN C[C@H]1CCC[C@H](CCN(C)Cc2cccnc2)C1 ZINC000348274967 136059388 /nfs/dbraw/zinc/05/93/88/136059388.db2.gz IONBBUJEQYGQDS-LSDHHAIUSA-N 0 3 246.398 3.730 20 0 BHADHN CSCCCN(C)Cc1ccc2occc2c1 ZINC000348285559 136060424 /nfs/dbraw/zinc/06/04/24/136060424.db2.gz RNQOFSGEPMYWFC-UHFFFAOYSA-N 0 3 249.379 3.618 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H]1C(F)F)c1cccc(F)c1 ZINC000348297607 136062925 /nfs/dbraw/zinc/06/29/25/136062925.db2.gz BVFRGFOGZDWDCG-GRYCIOLGSA-N 0 3 243.272 3.520 20 0 BHADHN CC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1cccc(F)c1 ZINC000348297608 136063284 /nfs/dbraw/zinc/06/32/84/136063284.db2.gz BVFRGFOGZDWDCG-SDDRHHMPSA-N 0 3 243.272 3.520 20 0 BHADHN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1cccc(F)c1 ZINC000348297609 136063365 /nfs/dbraw/zinc/06/33/65/136063365.db2.gz BVFRGFOGZDWDCG-SRVKXCTJSA-N 0 3 243.272 3.520 20 0 BHADHN CC[C@H](N[C@H]1C[C@H]1C(F)F)c1cccc(F)c1 ZINC000348297611 136063624 /nfs/dbraw/zinc/06/36/24/136063624.db2.gz BVFRGFOGZDWDCG-WOPDTQHZSA-N 0 3 243.272 3.520 20 0 BHADHN C[C@H](N[C@H]1CC[C@H](F)C1)c1cc(F)cc(F)c1 ZINC000348310428 136066917 /nfs/dbraw/zinc/06/69/17/136066917.db2.gz BZXXQPBCZYPYMV-FWDPORAESA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H](F)C1)c1cc(F)cc(F)c1 ZINC000348310429 136067270 /nfs/dbraw/zinc/06/72/70/136067270.db2.gz BZXXQPBCZYPYMV-GMOODISLSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](F)C1)c1cc(F)cc(F)c1 ZINC000348310431 136067258 /nfs/dbraw/zinc/06/72/58/136067258.db2.gz BZXXQPBCZYPYMV-IYYTYJHQSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](F)C1)c1cc(F)cc(F)c1 ZINC000348310432 136067029 /nfs/dbraw/zinc/06/70/29/136067029.db2.gz BZXXQPBCZYPYMV-PLMOITTCSA-N 0 3 243.272 3.506 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccccc1F ZINC000348310723 136067189 /nfs/dbraw/zinc/06/71/89/136067189.db2.gz SVQSXSVKZRDQJN-ADEWGFFLSA-N 0 3 243.272 3.520 20 0 BHADHN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1F ZINC000348310732 136066948 /nfs/dbraw/zinc/06/69/48/136066948.db2.gz SVQSXSVKZRDQJN-DLOVCJGASA-N 0 3 243.272 3.520 20 0 BHADHN CC[C@H](N[C@H]1C[C@H]1C(F)F)c1ccccc1F ZINC000348310745 136067040 /nfs/dbraw/zinc/06/70/40/136067040.db2.gz SVQSXSVKZRDQJN-USWWRNFRSA-N 0 3 243.272 3.520 20 0 BHADHN CC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccccc1F ZINC000348310755 136067146 /nfs/dbraw/zinc/06/71/46/136067146.db2.gz SVQSXSVKZRDQJN-ZMLRMANQSA-N 0 3 243.272 3.520 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccc(F)cc1 ZINC000348314588 136067843 /nfs/dbraw/zinc/06/78/43/136067843.db2.gz SPCXULAGGZAWFJ-GRYCIOLGSA-N 0 3 243.272 3.520 20 0 BHADHN CC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccc(F)cc1 ZINC000348314589 136067881 /nfs/dbraw/zinc/06/78/81/136067881.db2.gz SPCXULAGGZAWFJ-SDDRHHMPSA-N 0 3 243.272 3.520 20 0 BHADHN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1 ZINC000348314590 136067734 /nfs/dbraw/zinc/06/77/34/136067734.db2.gz SPCXULAGGZAWFJ-SRVKXCTJSA-N 0 3 243.272 3.520 20 0 BHADHN CC[C@H](N[C@H]1C[C@H]1C(F)F)c1ccc(F)cc1 ZINC000348314591 136067799 /nfs/dbraw/zinc/06/77/99/136067799.db2.gz SPCXULAGGZAWFJ-WOPDTQHZSA-N 0 3 243.272 3.520 20 0 BHADHN C[C@@H](NCCC1(F)CCC1)c1ccccc1F ZINC000348315723 136068127 /nfs/dbraw/zinc/06/81/27/136068127.db2.gz COKDYMUXRVTAJE-LLVKDONJSA-N 0 3 239.309 3.759 20 0 BHADHN C[C@H](NCCC1(F)CCC1)c1ccccc1F ZINC000348315725 136068309 /nfs/dbraw/zinc/06/83/09/136068309.db2.gz COKDYMUXRVTAJE-NSHDSACASA-N 0 3 239.309 3.759 20 0 BHADHN FC1(CCN[C@@H]2CCCc3occc32)CCC1 ZINC000348316749 136068143 /nfs/dbraw/zinc/06/81/43/136068143.db2.gz DMTHCMWWMGIZET-GFCCVEGCSA-N 0 3 237.318 3.529 20 0 BHADHN FC1(CCN[C@H]2CCCc3occc32)CCC1 ZINC000348316751 136068480 /nfs/dbraw/zinc/06/84/80/136068480.db2.gz DMTHCMWWMGIZET-LBPRGKRZSA-N 0 3 237.318 3.529 20 0 BHADHN CCC[C@H](N[C@H]1C[C@H]1C(F)F)c1ccccc1 ZINC000348318316 136068621 /nfs/dbraw/zinc/06/86/21/136068621.db2.gz XKRNNLFNVZMHTP-AGIUHOORSA-N 0 3 239.309 3.771 20 0 BHADHN CCC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000348318322 136068706 /nfs/dbraw/zinc/06/87/06/136068706.db2.gz XKRNNLFNVZMHTP-AVGNSLFASA-N 0 3 239.309 3.771 20 0 BHADHN CCC[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccccc1 ZINC000348318324 136068970 /nfs/dbraw/zinc/06/89/70/136068970.db2.gz XKRNNLFNVZMHTP-FRRDWIJNSA-N 0 3 239.309 3.771 20 0 BHADHN CCC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000348318328 136068850 /nfs/dbraw/zinc/06/88/50/136068850.db2.gz XKRNNLFNVZMHTP-RWMBFGLXSA-N 0 3 239.309 3.771 20 0 BHADHN Cc1cc([C@@H](C)NCCC2(F)CCC2)oc1C ZINC000348320108 136069272 /nfs/dbraw/zinc/06/92/72/136069272.db2.gz LWOUUQOIDFOMQF-LLVKDONJSA-N 0 3 239.334 3.829 20 0 BHADHN Cc1cc([C@H](C)NCCC2(F)CCC2)oc1C ZINC000348320109 136069377 /nfs/dbraw/zinc/06/93/77/136069377.db2.gz LWOUUQOIDFOMQF-NSHDSACASA-N 0 3 239.334 3.829 20 0 BHADHN CC[C@H](N[C@H]1C[C@H]1C(F)F)c1cccc(C)c1 ZINC000348320409 136069194 /nfs/dbraw/zinc/06/91/94/136069194.db2.gz ZWAYVJRCZQASNA-AGIUHOORSA-N 0 3 239.309 3.689 20 0 BHADHN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1cccc(C)c1 ZINC000348320410 136069006 /nfs/dbraw/zinc/06/90/06/136069006.db2.gz ZWAYVJRCZQASNA-AVGNSLFASA-N 0 3 239.309 3.689 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H]1C(F)F)c1cccc(C)c1 ZINC000348320411 136069340 /nfs/dbraw/zinc/06/93/40/136069340.db2.gz ZWAYVJRCZQASNA-FRRDWIJNSA-N 0 3 239.309 3.689 20 0 BHADHN CC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1cccc(C)c1 ZINC000348320412 136069183 /nfs/dbraw/zinc/06/91/83/136069183.db2.gz ZWAYVJRCZQASNA-RWMBFGLXSA-N 0 3 239.309 3.689 20 0 BHADHN Cc1cc([C@@H](C)NCCC2(F)CCC2)c(C)o1 ZINC000348327434 136070738 /nfs/dbraw/zinc/07/07/38/136070738.db2.gz OGGSPOAEDKHMEU-LLVKDONJSA-N 0 3 239.334 3.829 20 0 BHADHN Cc1cc([C@H](C)NCCC2(F)CCC2)c(C)o1 ZINC000348327438 136070919 /nfs/dbraw/zinc/07/09/19/136070919.db2.gz OGGSPOAEDKHMEU-NSHDSACASA-N 0 3 239.334 3.829 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](F)C1)c1cccc(F)c1F ZINC000348329348 136071247 /nfs/dbraw/zinc/07/12/47/136071247.db2.gz QTWJAFKCWSMJSK-AEJSXWLSSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@H]1CC[C@H](F)C1)c1cccc(F)c1F ZINC000348329350 136071441 /nfs/dbraw/zinc/07/14/41/136071441.db2.gz QTWJAFKCWSMJSK-GUBZILKMSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](F)C1)c1cccc(F)c1F ZINC000348329352 136071402 /nfs/dbraw/zinc/07/14/02/136071402.db2.gz QTWJAFKCWSMJSK-IVZWLZJFSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H](F)C1)c1cccc(F)c1F ZINC000348329354 136071140 /nfs/dbraw/zinc/07/11/40/136071140.db2.gz QTWJAFKCWSMJSK-LPEHRKFASA-N 0 3 243.272 3.506 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@@H](F)C1)c1ccccc1F ZINC000348330192 535940504 /nfs/dbraw/zinc/94/05/04/535940504.db2.gz RZKKHGYJIKJMKG-GYSYKLTISA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@H](N[C@H]1CC[C@H](F)C1)c1ccccc1F ZINC000348330193 136074481 /nfs/dbraw/zinc/07/44/81/136074481.db2.gz RZKKHGYJIKJMKG-MJVIPROJSA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@H](N[C@H]1CC[C@@H](F)C1)c1ccccc1F ZINC000348330194 136074648 /nfs/dbraw/zinc/07/46/48/136074648.db2.gz RZKKHGYJIKJMKG-SUNKGSAMSA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@H](F)C1)c1ccccc1F ZINC000348330195 535940682 /nfs/dbraw/zinc/94/06/82/535940682.db2.gz RZKKHGYJIKJMKG-WDMOLILDSA-N 0 3 239.309 3.757 20 0 BHADHN CC1=CCCN(Cc2ccc3occc3c2)C1 ZINC000348332546 136075337 /nfs/dbraw/zinc/07/53/37/136075337.db2.gz AUISJSAMYAUSPB-UHFFFAOYSA-N 0 3 227.307 3.585 20 0 BHADHN CC[C@H](N[C@H]1C[C@H]1C(F)F)c1ccc(C)cc1 ZINC000348351838 136072179 /nfs/dbraw/zinc/07/21/79/136072179.db2.gz YKAOPORVNZFSBU-AGIUHOORSA-N 0 3 239.309 3.689 20 0 BHADHN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(C)cc1 ZINC000348351841 136072213 /nfs/dbraw/zinc/07/22/13/136072213.db2.gz YKAOPORVNZFSBU-AVGNSLFASA-N 0 3 239.309 3.689 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccc(C)cc1 ZINC000348351845 136072017 /nfs/dbraw/zinc/07/20/17/136072017.db2.gz YKAOPORVNZFSBU-FRRDWIJNSA-N 0 3 239.309 3.689 20 0 BHADHN CC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccc(C)cc1 ZINC000348351850 136071900 /nfs/dbraw/zinc/07/19/00/136071900.db2.gz YKAOPORVNZFSBU-RWMBFGLXSA-N 0 3 239.309 3.689 20 0 BHADHN CN(Cc1ccc2occc2c1)[C@H]1CC1(C)C ZINC000348358231 536473835 /nfs/dbraw/zinc/47/38/35/536473835.db2.gz QGGNVTIOHVBJGW-AWEZNQCLSA-N 0 3 229.323 3.663 20 0 BHADHN CN(Cc1ccc2occc2c1)[C@@H]1CC1(C)C ZINC000348358233 536473949 /nfs/dbraw/zinc/47/39/49/536473949.db2.gz QGGNVTIOHVBJGW-CQSZACIVSA-N 0 3 229.323 3.663 20 0 BHADHN CC[C@H](N[C@H]1CC[C@H]1CC)c1c(C)noc1C ZINC000348383192 535948472 /nfs/dbraw/zinc/94/84/72/535948472.db2.gz SRSIVWIYVZFHRF-AGIUHOORSA-N 0 3 236.359 3.521 20 0 BHADHN CC[C@H](N[C@H]1CC[C@@H]1CC)c1c(C)noc1C ZINC000348383195 136074192 /nfs/dbraw/zinc/07/41/92/136074192.db2.gz SRSIVWIYVZFHRF-AVGNSLFASA-N 0 3 236.359 3.521 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@H]1CC)c1c(C)noc1C ZINC000348383197 535940562 /nfs/dbraw/zinc/94/05/62/535940562.db2.gz SRSIVWIYVZFHRF-FRRDWIJNSA-N 0 3 236.359 3.521 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@@H]1CC)c1c(C)noc1C ZINC000348383199 535940392 /nfs/dbraw/zinc/94/03/92/535940392.db2.gz SRSIVWIYVZFHRF-RWMBFGLXSA-N 0 3 236.359 3.521 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1c(C)noc1C ZINC000348387116 537897261 /nfs/dbraw/zinc/89/72/61/537897261.db2.gz YOPJCIWTWOBLFJ-HZSPNIEDSA-N 0 3 248.370 3.521 20 0 BHADHN CC[C@H](N[C@H]1CC[C@H]1C1CC1)c1c(C)noc1C ZINC000348387118 537897144 /nfs/dbraw/zinc/89/71/44/537897144.db2.gz YOPJCIWTWOBLFJ-IHRRRGAJSA-N 0 3 248.370 3.521 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@H]1C1CC1)c1c(C)noc1C ZINC000348387121 537896880 /nfs/dbraw/zinc/89/68/80/537896880.db2.gz YOPJCIWTWOBLFJ-MELADBBJSA-N 0 3 248.370 3.521 20 0 BHADHN CC[C@H](N[C@H]1CC[C@@H]1C1CC1)c1c(C)noc1C ZINC000348387123 537896695 /nfs/dbraw/zinc/89/66/95/537896695.db2.gz YOPJCIWTWOBLFJ-RDBSUJKOSA-N 0 3 248.370 3.521 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H](F)C1)c1cc(F)ccc1F ZINC000348391294 136076306 /nfs/dbraw/zinc/07/63/06/136076306.db2.gz HYQDNBBLPKDWDI-ATZCPNFKSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](F)C1)c1cc(F)ccc1F ZINC000348391297 136076374 /nfs/dbraw/zinc/07/63/74/136076374.db2.gz HYQDNBBLPKDWDI-IQJOONFLSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](F)C1)c1cc(F)ccc1F ZINC000348391300 136076427 /nfs/dbraw/zinc/07/64/27/136076427.db2.gz HYQDNBBLPKDWDI-NGZCFLSTSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@H]1CC[C@H](F)C1)c1cc(F)ccc1F ZINC000348391304 136076161 /nfs/dbraw/zinc/07/61/61/136076161.db2.gz HYQDNBBLPKDWDI-QXEWZRGKSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H](F)C1)c1ccc(F)cc1F ZINC000348407865 136077042 /nfs/dbraw/zinc/07/70/42/136077042.db2.gz NIVCSSLZIJBKPU-ATZCPNFKSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](F)C1)c1ccc(F)cc1F ZINC000348407867 136076928 /nfs/dbraw/zinc/07/69/28/136076928.db2.gz NIVCSSLZIJBKPU-IQJOONFLSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](F)C1)c1ccc(F)cc1F ZINC000348407869 136076926 /nfs/dbraw/zinc/07/69/26/136076926.db2.gz NIVCSSLZIJBKPU-NGZCFLSTSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](N[C@H]1CC[C@H](F)C1)c1ccc(F)cc1F ZINC000348407870 136076988 /nfs/dbraw/zinc/07/69/88/136076988.db2.gz NIVCSSLZIJBKPU-QXEWZRGKSA-N 0 3 243.272 3.506 20 0 BHADHN CCc1ccc([C@@H](C)NCCC2(F)CCC2)o1 ZINC000348436521 136078751 /nfs/dbraw/zinc/07/87/51/136078751.db2.gz XJWFVUPKRKEBAE-LLVKDONJSA-N 0 3 239.334 3.775 20 0 BHADHN CCc1ccc([C@H](C)NCCC2(F)CCC2)o1 ZINC000348436523 136078550 /nfs/dbraw/zinc/07/85/50/136078550.db2.gz XJWFVUPKRKEBAE-NSHDSACASA-N 0 3 239.334 3.775 20 0 BHADHN Cc1ccc([C@H](C)NC2CC(C(F)(F)F)C2)o1 ZINC000348694977 136116045 /nfs/dbraw/zinc/11/60/45/136116045.db2.gz ILHYQIXVYDQDEM-IDKOKCKLSA-N 0 3 247.260 3.580 20 0 BHADHN Cc1ccc([C@@H](C)NC2CC(C(F)(F)F)C2)o1 ZINC000348694980 136115766 /nfs/dbraw/zinc/11/57/66/136115766.db2.gz ILHYQIXVYDQDEM-XNWIYYODSA-N 0 3 247.260 3.580 20 0 BHADHN c1oc2ccccc2c1CN1CC(C2CCC2)C1 ZINC000348699027 136115811 /nfs/dbraw/zinc/11/58/11/136115811.db2.gz ACIUWZKMBNYAPQ-UHFFFAOYSA-N 0 3 241.334 3.665 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC(C3CCC3)C2)o1 ZINC000348708884 136116691 /nfs/dbraw/zinc/11/66/91/136116691.db2.gz AEVLOBFJVDETCZ-ABAIWWIYSA-N 0 3 245.366 3.635 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CC(C3CCC3)C2)o1 ZINC000348708885 136117165 /nfs/dbraw/zinc/11/71/65/136117165.db2.gz AEVLOBFJVDETCZ-IAQYHMDHSA-N 0 3 245.366 3.635 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN2CC(C3CCC3)C2)o1 ZINC000348708886 136116640 /nfs/dbraw/zinc/11/66/40/136116640.db2.gz AEVLOBFJVDETCZ-NHYWBVRUSA-N 0 3 245.366 3.635 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN2CC(C3CCC3)C2)o1 ZINC000348708887 136117023 /nfs/dbraw/zinc/11/70/23/136117023.db2.gz AEVLOBFJVDETCZ-XHDPSFHLSA-N 0 3 245.366 3.635 20 0 BHADHN CSc1ccc(CN2CC(C3CCC3)C2)cc1 ZINC000348710716 136117009 /nfs/dbraw/zinc/11/70/09/136117009.db2.gz PLUCPWCXNIWSDE-UHFFFAOYSA-N 0 3 247.407 3.640 20 0 BHADHN c1cc2cc(CN3CC(C4CCC4)C3)ccc2o1 ZINC000348713171 136293995 /nfs/dbraw/zinc/29/39/95/136293995.db2.gz KANOIPXNWCQEKA-UHFFFAOYSA-N 0 3 241.334 3.665 20 0 BHADHN C[C@H]1C[C@@H](c2ccccc2)N(Cc2ccco2)C1 ZINC000348832920 538003410 /nfs/dbraw/zinc/00/34/10/538003410.db2.gz KKPGURGBPYKLIA-BBRMVZONSA-N 0 3 241.334 3.863 20 0 BHADHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccco2)C1 ZINC000348832921 538002008 /nfs/dbraw/zinc/00/20/08/538002008.db2.gz KKPGURGBPYKLIA-CJNGLKHVSA-N 0 3 241.334 3.863 20 0 BHADHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccco2)C1 ZINC000348832922 538002724 /nfs/dbraw/zinc/00/27/24/538002724.db2.gz KKPGURGBPYKLIA-CZUORRHYSA-N 0 3 241.334 3.863 20 0 BHADHN C[C@H]1C[C@H](c2ccccc2)N(Cc2ccco2)C1 ZINC000348832923 538003640 /nfs/dbraw/zinc/00/36/40/538003640.db2.gz KKPGURGBPYKLIA-XJKSGUPXSA-N 0 3 241.334 3.863 20 0 BHADHN C[C@@H](NCC1CCC(C)(C)CC1)c1ccon1 ZINC000349246051 136332617 /nfs/dbraw/zinc/33/26/17/136332617.db2.gz SILYKBYLMDBVJD-LLVKDONJSA-N 0 3 236.359 3.542 20 0 BHADHN C[C@H](NCC1CCC(C)(C)CC1)c1ccon1 ZINC000349246052 136332778 /nfs/dbraw/zinc/33/27/78/136332778.db2.gz SILYKBYLMDBVJD-NSHDSACASA-N 0 3 236.359 3.542 20 0 BHADHN Cc1ccc([C@H](NC2CC(C)C2)C2CCC2)o1 ZINC000349491236 386850229 /nfs/dbraw/zinc/85/02/29/386850229.db2.gz CTOWWEAEWFYWOP-JHANDDDOSA-N 0 3 233.355 3.817 20 0 BHADHN Cc1ccc([C@@H](NC2CC(C)C2)C2CCC2)o1 ZINC000349491237 386849769 /nfs/dbraw/zinc/84/97/69/386849769.db2.gz CTOWWEAEWFYWOP-KHXKVGHRSA-N 0 3 233.355 3.817 20 0 BHADHN Cc1cccc(CN(C)Cc2ccsc2)c1 ZINC000349546081 386869532 /nfs/dbraw/zinc/86/95/32/386869532.db2.gz TXJDPKZEVGMHKP-UHFFFAOYSA-N 0 3 231.364 3.689 20 0 BHADHN Cc1ccc(CN(C)[C@@H](C)c2ccccc2)nc1 ZINC000349560738 136352449 /nfs/dbraw/zinc/35/24/49/136352449.db2.gz CXENUFSDFOFKRV-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccc(CN(C)[C@H](C)c2ccccc2)nc1 ZINC000349560739 538096588 /nfs/dbraw/zinc/09/65/88/538096588.db2.gz CXENUFSDFOFKRV-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN CC1CCC(N(C)Cc2ccc(Cl)o2)CC1 ZINC000349578933 168159465 /nfs/dbraw/zinc/15/94/65/168159465.db2.gz TVWMROZXROTUJE-UHFFFAOYSA-N 0 3 241.762 3.944 20 0 BHADHN CC1CCC(CN(C)Cc2ccco2)CC1 ZINC000349584962 398298554 /nfs/dbraw/zinc/29/85/54/398298554.db2.gz JIUUASNANIVFSR-UHFFFAOYSA-N 0 3 221.344 3.538 20 0 BHADHN CN(Cc1ccco1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000349612807 386892794 /nfs/dbraw/zinc/89/27/94/386892794.db2.gz DWGCMWGDEQHOIW-GDBMZVCRSA-N 0 3 241.334 3.515 20 0 BHADHN CN(Cc1ccco1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000349612808 386892627 /nfs/dbraw/zinc/89/26/27/386892627.db2.gz DWGCMWGDEQHOIW-GOEBONIOSA-N 0 3 241.334 3.515 20 0 BHADHN CN(Cc1ccco1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000349612809 386891944 /nfs/dbraw/zinc/89/19/44/386891944.db2.gz DWGCMWGDEQHOIW-HOCLYGCPSA-N 0 3 241.334 3.515 20 0 BHADHN CN(Cc1ccco1)C[C@H]1C[C@H]1c1ccccc1 ZINC000349612810 386891748 /nfs/dbraw/zinc/89/17/48/386891748.db2.gz DWGCMWGDEQHOIW-ZBFHGGJFSA-N 0 3 241.334 3.515 20 0 BHADHN CN(Cc1ccoc1)[C@H]1CCCc2ccccc21 ZINC000349614387 386892015 /nfs/dbraw/zinc/89/20/15/386892015.db2.gz KIGLTKQUENPSLI-INIZCTEOSA-N 0 3 241.334 3.789 20 0 BHADHN CN(Cc1ccoc1)[C@@H]1CCCc2ccccc21 ZINC000349614389 386892978 /nfs/dbraw/zinc/89/29/78/386892978.db2.gz KIGLTKQUENPSLI-MRXNPFEDSA-N 0 3 241.334 3.789 20 0 BHADHN CCC1CCC(N(C)Cc2cncs2)CC1 ZINC000349677886 355409344 /nfs/dbraw/zinc/40/93/44/355409344.db2.gz HEWSZRCZSMZKEF-UHFFFAOYSA-N 0 3 238.400 3.544 20 0 BHADHN CCC1CCC(N(C)Cc2ccco2)CC1 ZINC000349707768 355416090 /nfs/dbraw/zinc/41/60/90/355416090.db2.gz PYNFHJGLWGBGBS-UHFFFAOYSA-N 0 3 221.344 3.680 20 0 BHADHN CC(C)c1ncc(CN(C)C2CCCC2)s1 ZINC000349747226 355422568 /nfs/dbraw/zinc/42/25/68/355422568.db2.gz JAEVKRHDPAJHCG-UHFFFAOYSA-N 0 3 238.400 3.641 20 0 BHADHN Cc1ccc(CN2CCC[C@H]2c2ccccc2)o1 ZINC000349749308 355422465 /nfs/dbraw/zinc/42/24/65/355422465.db2.gz PZRCYMMLODNAEE-INIZCTEOSA-N 0 3 241.334 3.925 20 0 BHADHN Cc1ccc(CN2CCC[C@@H]2c2ccccc2)o1 ZINC000349749309 355421989 /nfs/dbraw/zinc/42/19/89/355421989.db2.gz PZRCYMMLODNAEE-MRXNPFEDSA-N 0 3 241.334 3.925 20 0 BHADHN Cc1ccc([C@@H](N[C@H]2CC2(C)C)C2CCC2)o1 ZINC000349759810 355427425 /nfs/dbraw/zinc/42/74/25/355427425.db2.gz RXPOQOAAABMOTF-KBPBESRZSA-N 0 3 233.355 3.817 20 0 BHADHN Cc1ccc([C@@H](N[C@@H]2CC2(C)C)C2CCC2)o1 ZINC000349759811 355427557 /nfs/dbraw/zinc/42/75/57/355427557.db2.gz RXPOQOAAABMOTF-KGLIPLIRSA-N 0 3 233.355 3.817 20 0 BHADHN Cc1ccc([C@H](N[C@H]2CC2(C)C)C2CCC2)o1 ZINC000349759812 355427593 /nfs/dbraw/zinc/42/75/93/355427593.db2.gz RXPOQOAAABMOTF-UONOGXRCSA-N 0 3 233.355 3.817 20 0 BHADHN Cc1ccc([C@H](N[C@@H]2CC2(C)C)C2CCC2)o1 ZINC000349759813 355427654 /nfs/dbraw/zinc/42/76/54/355427654.db2.gz RXPOQOAAABMOTF-ZIAGYGMSSA-N 0 3 233.355 3.817 20 0 BHADHN Cc1ccc([C@@H]2CCCN2Cc2ccco2)cc1 ZINC000349792741 355463933 /nfs/dbraw/zinc/46/39/33/355463933.db2.gz YZTLGWYGXJYSBW-INIZCTEOSA-N 0 3 241.334 3.925 20 0 BHADHN Cc1ccc([C@H]2CCCN2Cc2ccco2)cc1 ZINC000349792742 355464086 /nfs/dbraw/zinc/46/40/86/355464086.db2.gz YZTLGWYGXJYSBW-MRXNPFEDSA-N 0 3 241.334 3.925 20 0 BHADHN CCN(C)Cc1ccc(-c2ccccc2F)o1 ZINC000349799790 355464858 /nfs/dbraw/zinc/46/48/58/355464858.db2.gz AWXMWVLNTFHMLM-UHFFFAOYSA-N 0 3 233.286 3.537 20 0 BHADHN CCN(C)Cc1cc2cc(C)c(C)cc2o1 ZINC000349802642 355466238 /nfs/dbraw/zinc/46/62/38/355466238.db2.gz WMKSFNJDFUFSCR-UHFFFAOYSA-N 0 3 217.312 3.501 20 0 BHADHN CCN(Cc1ccc(OC)cc1Cl)C(C)C ZINC000349815406 355467636 /nfs/dbraw/zinc/46/76/36/355467636.db2.gz AVLYMZIXBLENFN-UHFFFAOYSA-N 0 3 241.762 3.579 20 0 BHADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@H]1C)c1ccon1 ZINC000349829136 355486995 /nfs/dbraw/zinc/48/69/95/355486995.db2.gz BVAYDIUTKJPRNH-GRYCIOLGSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@@H]1C)c1ccon1 ZINC000349829137 355486789 /nfs/dbraw/zinc/48/67/89/355486789.db2.gz BVAYDIUTKJPRNH-SDDRHHMPSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@H](N[C@H]1CCC(C)(C)C[C@@H]1C)c1ccon1 ZINC000349829138 355486616 /nfs/dbraw/zinc/48/66/16/355486616.db2.gz BVAYDIUTKJPRNH-SRVKXCTJSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@H](N[C@H]1CCC(C)(C)C[C@H]1C)c1ccon1 ZINC000349829140 355486878 /nfs/dbraw/zinc/48/68/78/355486878.db2.gz BVAYDIUTKJPRNH-WOPDTQHZSA-N 0 3 236.359 3.540 20 0 BHADHN CC(C)CN(C)Cc1cnc(C(C)(C)C)s1 ZINC000349830706 355487683 /nfs/dbraw/zinc/48/76/83/355487683.db2.gz IPOOTQUEIMKNIY-UHFFFAOYSA-N 0 3 240.416 3.528 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccon1 ZINC000349831829 355488091 /nfs/dbraw/zinc/48/80/91/355488091.db2.gz ILIIASNVJKNHDS-GRYCIOLGSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccon1 ZINC000349831831 355487917 /nfs/dbraw/zinc/48/79/17/355487917.db2.gz ILIIASNVJKNHDS-IJLUTSLNSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccon1 ZINC000349831832 355487877 /nfs/dbraw/zinc/48/78/77/355487877.db2.gz ILIIASNVJKNHDS-UTUOFQBUSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccon1 ZINC000349831834 355487632 /nfs/dbraw/zinc/48/76/32/355487632.db2.gz ILIIASNVJKNHDS-WOPDTQHZSA-N 0 3 236.359 3.540 20 0 BHADHN Cc1ccccc1CN(Cc1ccco1)C(C)C ZINC000349834866 355489886 /nfs/dbraw/zinc/48/98/86/355489886.db2.gz ZORJRYGSYPQYTJ-UHFFFAOYSA-N 0 3 243.350 3.999 20 0 BHADHN C[C@H](CCC1CCCC1)N[C@@H](C)c1ccon1 ZINC000349838077 355490735 /nfs/dbraw/zinc/49/07/35/355490735.db2.gz WWKBVIJMLGJYRW-NEPJUHHUSA-N 0 3 236.359 3.684 20 0 BHADHN C[C@@H](N[C@@H](C)CCC1CCCC1)c1ccon1 ZINC000349838078 355491135 /nfs/dbraw/zinc/49/11/35/355491135.db2.gz WWKBVIJMLGJYRW-NWDGAFQWSA-N 0 3 236.359 3.684 20 0 BHADHN C[C@@H](CCC1CCCC1)N[C@@H](C)c1ccon1 ZINC000349838079 355490871 /nfs/dbraw/zinc/49/08/71/355490871.db2.gz WWKBVIJMLGJYRW-RYUDHWBXSA-N 0 3 236.359 3.684 20 0 BHADHN C[C@H](CCC1CCCC1)N[C@H](C)c1ccon1 ZINC000349838080 355490793 /nfs/dbraw/zinc/49/07/93/355490793.db2.gz WWKBVIJMLGJYRW-VXGBXAGGSA-N 0 3 236.359 3.684 20 0 BHADHN Cc1cccc(CN(Cc2ccco2)C(C)C)c1 ZINC000349841148 355491827 /nfs/dbraw/zinc/49/18/27/355491827.db2.gz UUHDITOFKYGWKI-UHFFFAOYSA-N 0 3 243.350 3.999 20 0 BHADHN CCC1(C)CCC(N[C@@H](C)c2ccon2)CC1 ZINC000349859993 133921937 /nfs/dbraw/zinc/92/19/37/133921937.db2.gz ZFMIEUJKOARBAT-DCBWTQNWSA-N 0 3 236.359 3.684 20 0 BHADHN CCC1(C)CCC(N[C@H](C)c2ccon2)CC1 ZINC000349859994 355506269 /nfs/dbraw/zinc/50/62/69/355506269.db2.gz ZFMIEUJKOARBAT-LKSINWNRSA-N 0 3 236.359 3.684 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN(CC2CC2)C2CC2)o1 ZINC000349921432 355527824 /nfs/dbraw/zinc/52/78/24/355527824.db2.gz RMSGLEOAKPHLAO-ABAIWWIYSA-N 0 3 245.366 3.777 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN(CC2CC2)C2CC2)o1 ZINC000349921434 355527761 /nfs/dbraw/zinc/52/77/61/355527761.db2.gz RMSGLEOAKPHLAO-IAQYHMDHSA-N 0 3 245.366 3.777 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN(CC2CC2)C2CC2)o1 ZINC000349921436 355527600 /nfs/dbraw/zinc/52/76/00/355527600.db2.gz RMSGLEOAKPHLAO-NHYWBVRUSA-N 0 3 245.366 3.777 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN(CC2CC2)C2CC2)o1 ZINC000349921438 355527729 /nfs/dbraw/zinc/52/77/29/355527729.db2.gz RMSGLEOAKPHLAO-XHDPSFHLSA-N 0 3 245.366 3.777 20 0 BHADHN CC(C)CCN(Cc1ccsc1)C1CC1 ZINC000349943679 358000963 /nfs/dbraw/zinc/00/09/63/358000963.db2.gz IXHJQWJAQOBXET-UHFFFAOYSA-N 0 3 223.385 3.759 20 0 BHADHN Cc1ccncc1CN1CCC(C(C)(C)C)CC1 ZINC000349954078 355535295 /nfs/dbraw/zinc/53/52/95/355535295.db2.gz HFHMODCPDNIPQC-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1cncc(CN2CCC(C(C)(C)C)CC2)c1 ZINC000349957053 355536594 /nfs/dbraw/zinc/53/65/94/355536594.db2.gz YHQNUNOHYVOHFV-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccoc1CN(C)[C@H]1CCc2ccccc21 ZINC000350002048 355573619 /nfs/dbraw/zinc/57/36/19/355573619.db2.gz LLLRQLFCWDVWPU-HNNXBMFYSA-N 0 3 241.334 3.707 20 0 BHADHN Cc1ccoc1CN(C)[C@@H]1CCc2ccccc21 ZINC000350002049 355573293 /nfs/dbraw/zinc/57/32/93/355573293.db2.gz LLLRQLFCWDVWPU-OAHLLOKOSA-N 0 3 241.334 3.707 20 0 BHADHN Cc1sccc1CN(C)Cc1ccccc1 ZINC000350096733 355594876 /nfs/dbraw/zinc/59/48/76/355594876.db2.gz DVLIALQLGREGCI-UHFFFAOYSA-N 0 3 231.364 3.689 20 0 BHADHN Cc1sccc1CN1CCc2ccccc2C1 ZINC000350101042 355600761 /nfs/dbraw/zinc/60/07/61/355600761.db2.gz VHHIYVBSBVNTKK-UHFFFAOYSA-N 0 3 243.375 3.615 20 0 BHADHN Cc1sccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000350122145 355607873 /nfs/dbraw/zinc/60/78/73/355607873.db2.gz LJDPXLFXOBHXGA-AWEZNQCLSA-N 0 3 246.379 3.722 20 0 BHADHN Cc1sccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000350122152 355608287 /nfs/dbraw/zinc/60/82/87/355608287.db2.gz LJDPXLFXOBHXGA-CQSZACIVSA-N 0 3 246.379 3.722 20 0 BHADHN Cc1sccc1CN(C)Cc1ccc(C)cc1 ZINC000350219116 355651348 /nfs/dbraw/zinc/65/13/48/355651348.db2.gz LPIULJUFFVLDDO-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN Cc1sccc1CN(C)Cc1ccccc1C ZINC000350221673 355651385 /nfs/dbraw/zinc/65/13/85/355651385.db2.gz OVBRXIDTMJVPBQ-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CCC[C@@H](C)N(C)Cc1cnc(C(C)C)s1 ZINC000350314233 355670268 /nfs/dbraw/zinc/67/02/68/355670268.db2.gz JPNILCYKCWLIHP-LLVKDONJSA-N 0 3 240.416 3.887 20 0 BHADHN CCC[C@H](C)N(C)Cc1cnc(C(C)C)s1 ZINC000350314234 355670277 /nfs/dbraw/zinc/67/02/77/355670277.db2.gz JPNILCYKCWLIHP-NSHDSACASA-N 0 3 240.416 3.887 20 0 BHADHN CN(Cc1ccccn1)CC1CCC(C)(C)CC1 ZINC000350349637 355683585 /nfs/dbraw/zinc/68/35/85/355683585.db2.gz CXNFUSIFPYBUKX-UHFFFAOYSA-N 0 3 246.398 3.730 20 0 BHADHN CC[C@@H]1CCC[C@H](CN(C)Cc2cccnc2)C1 ZINC000350457207 136360623 /nfs/dbraw/zinc/36/06/23/136360623.db2.gz HRFMVEAMFFCWIA-CABCVRRESA-N 0 3 246.398 3.730 20 0 BHADHN CC[C@H]1CCC[C@H](CN(C)Cc2cccnc2)C1 ZINC000350457208 136360931 /nfs/dbraw/zinc/36/09/31/136360931.db2.gz HRFMVEAMFFCWIA-GJZGRUSLSA-N 0 3 246.398 3.730 20 0 BHADHN CC[C@@H]1CCC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000350457209 535820810 /nfs/dbraw/zinc/82/08/10/535820810.db2.gz HRFMVEAMFFCWIA-HUUCEWRRSA-N 0 3 246.398 3.730 20 0 BHADHN CC[C@H]1CCC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000350457210 136360657 /nfs/dbraw/zinc/36/06/57/136360657.db2.gz HRFMVEAMFFCWIA-LSDHHAIUSA-N 0 3 246.398 3.730 20 0 BHADHN Cc1nocc1CN(CC1CCCCC1)C1CC1 ZINC000350518839 136361669 /nfs/dbraw/zinc/36/16/69/136361669.db2.gz WSUHZEWKVGFCOC-UHFFFAOYSA-N 0 3 248.370 3.528 20 0 BHADHN CC(C)CN(Cc1nccs1)C1CCCC1 ZINC000350698348 355743048 /nfs/dbraw/zinc/74/30/48/355743048.db2.gz DHKXFKZSHOZCBI-UHFFFAOYSA-N 0 3 238.400 3.544 20 0 BHADHN CCCN(Cc1ccncc1Cl)CC(C)C ZINC000350724897 355749616 /nfs/dbraw/zinc/74/96/16/355749616.db2.gz PYVYUHIYKLVEHD-UHFFFAOYSA-N 0 3 240.778 3.603 20 0 BHADHN Cc1cccc(CCCN(C)Cc2ccoc2)c1 ZINC000350835370 179054925 /nfs/dbraw/zinc/05/49/25/179054925.db2.gz MBXRONPXDIPPPE-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN CC(C)CN(Cc1cc(F)cc(F)c1)C1CC1 ZINC000350971071 355934063 /nfs/dbraw/zinc/93/40/63/355934063.db2.gz KKXLYLLMZYANPX-UHFFFAOYSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)c1ncc(CN(C(C)C)C2CC2)s1 ZINC000350972764 386712884 /nfs/dbraw/zinc/71/28/84/386712884.db2.gz UGAJCWPLVAFNLT-UHFFFAOYSA-N 0 3 238.400 3.639 20 0 BHADHN CC(C)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000351026088 355938704 /nfs/dbraw/zinc/93/87/04/355938704.db2.gz AIOZSVGWNPHQIN-BXUZGUMPSA-N 0 3 233.355 3.776 20 0 BHADHN CC(C)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000351026089 355939085 /nfs/dbraw/zinc/93/90/85/355939085.db2.gz AIOZSVGWNPHQIN-FZMZJTMJSA-N 0 3 233.355 3.776 20 0 BHADHN CC(C)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000351026090 355939156 /nfs/dbraw/zinc/93/91/56/355939156.db2.gz AIOZSVGWNPHQIN-RISCZKNCSA-N 0 3 233.355 3.776 20 0 BHADHN CC(C)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000351026092 355938710 /nfs/dbraw/zinc/93/87/10/355938710.db2.gz AIOZSVGWNPHQIN-SMDDNHRTSA-N 0 3 233.355 3.776 20 0 BHADHN CCc1ccc(CN([C@H](C)C2CC2)C2CC2)o1 ZINC000351027826 355938987 /nfs/dbraw/zinc/93/89/87/355938987.db2.gz NCSIVTAGHKOMRK-LLVKDONJSA-N 0 3 233.355 3.605 20 0 BHADHN CCc1ccc(CN([C@@H](C)C2CC2)C2CC2)o1 ZINC000351027827 355939068 /nfs/dbraw/zinc/93/90/68/355939068.db2.gz NCSIVTAGHKOMRK-NSHDSACASA-N 0 3 233.355 3.605 20 0 BHADHN CC(C)N(Cc1ccccc1Cl)C1CC1 ZINC000351052485 355942910 /nfs/dbraw/zinc/94/29/10/355942910.db2.gz MTQZSJUXYUWPEI-UHFFFAOYSA-N 0 3 223.747 3.713 20 0 BHADHN Cc1ccc(F)c(CN(C(C)C)C2CC2)c1 ZINC000351077301 355946011 /nfs/dbraw/zinc/94/60/11/355946011.db2.gz GTSNUYXWHHSBEZ-UHFFFAOYSA-N 0 3 221.319 3.507 20 0 BHADHN CC(C)N(Cc1ccc(Cl)s1)C1CC1 ZINC000351080189 355945842 /nfs/dbraw/zinc/94/58/42/355945842.db2.gz UHJKXKYNXKIWEN-UHFFFAOYSA-N 0 3 229.776 3.774 20 0 BHADHN Cc1nocc1CN1CCC2(CCCCC2)CC1 ZINC000351260385 136244403 /nfs/dbraw/zinc/24/44/03/136244403.db2.gz KHIJGMZSZMYEAE-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN CC[C@@H](NC1CC2(CCC2)C1)c1c(C)noc1C ZINC000351492343 356001737 /nfs/dbraw/zinc/00/17/37/356001737.db2.gz JDJYHGWPZBCRNI-CYBMUJFWSA-N 0 3 248.370 3.665 20 0 BHADHN CC[C@H](NC1CC2(CCC2)C1)c1c(C)noc1C ZINC000351492344 356001847 /nfs/dbraw/zinc/00/18/47/356001847.db2.gz JDJYHGWPZBCRNI-ZDUSSCGKSA-N 0 3 248.370 3.665 20 0 BHADHN CCC1(CC)CCN(Cc2cccnc2C)CC1 ZINC000351584754 356021340 /nfs/dbraw/zinc/02/13/40/356021340.db2.gz WOWFWRMTCKVWDA-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN Cc1nocc1CN1CCCC2(CCCCC2)C1 ZINC000351590039 356024546 /nfs/dbraw/zinc/02/45/46/356024546.db2.gz PTNNEXKLEUBRLM-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1ncccc1CN1CC(C)(C)CC(C)(C)C1 ZINC000351605106 136369680 /nfs/dbraw/zinc/36/96/80/136369680.db2.gz NDINBGVMVWUJPS-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CCCN(Cc1csc(CC)n1)CC(C)C ZINC000351605392 136369723 /nfs/dbraw/zinc/36/97/23/136369723.db2.gz ZJZCPOZUCLUNTR-UHFFFAOYSA-N 0 3 240.416 3.574 20 0 BHADHN Cc1ncccc1CN1CCC(C)(C(C)C)CC1 ZINC000351612377 356028355 /nfs/dbraw/zinc/02/83/55/356028355.db2.gz WFBHFNLFKHJQJZ-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CSCCN(C)Cc1ccc(C2CCC2)cc1 ZINC000351621942 136248729 /nfs/dbraw/zinc/24/87/29/136248729.db2.gz AOXRNLLDHQRCIX-UHFFFAOYSA-N 0 3 249.423 3.749 20 0 BHADHN CCN(CCc1cccs1)Cc1occc1C ZINC000351645873 356043391 /nfs/dbraw/zinc/04/33/91/356043391.db2.gz YLWLKVCXUMHEED-UHFFFAOYSA-N 0 3 249.379 3.714 20 0 BHADHN CCN(CCc1cccs1)Cc1ccc(C)o1 ZINC000351657643 356046720 /nfs/dbraw/zinc/04/67/20/356046720.db2.gz CEBRDLYGWNADGR-UHFFFAOYSA-N 0 3 249.379 3.714 20 0 BHADHN C[C@@H](F)CCN([C@H](C)c1ccco1)C1CC1 ZINC000351720529 356070227 /nfs/dbraw/zinc/07/02/27/356070227.db2.gz POPFCKDIWMZPBV-GHMZBOCLSA-N 0 3 225.307 3.553 20 0 BHADHN C[C@@H](F)CCN([C@@H](C)c1ccco1)C1CC1 ZINC000351720530 356070547 /nfs/dbraw/zinc/07/05/47/356070547.db2.gz POPFCKDIWMZPBV-MNOVXSKESA-N 0 3 225.307 3.553 20 0 BHADHN C[C@H](F)CCN([C@@H](C)c1ccco1)C1CC1 ZINC000351720531 356070627 /nfs/dbraw/zinc/07/06/27/356070627.db2.gz POPFCKDIWMZPBV-QWRGUYRKSA-N 0 3 225.307 3.553 20 0 BHADHN C[C@H](c1ccco1)N(CC[C@H](C)F)C1CC1 ZINC000351720532 356070601 /nfs/dbraw/zinc/07/06/01/356070601.db2.gz POPFCKDIWMZPBV-WDEREUQCSA-N 0 3 225.307 3.553 20 0 BHADHN CN(CCCCF)Cc1ccc(Cl)c(F)c1 ZINC000351729080 536334772 /nfs/dbraw/zinc/33/47/72/536334772.db2.gz CPNNXVWQDKMZKE-UHFFFAOYSA-N 0 3 247.716 3.661 20 0 BHADHN C[C@@H](F)CCN(C)Cc1ccc(Cl)c(F)c1 ZINC000351730489 136250314 /nfs/dbraw/zinc/25/03/14/136250314.db2.gz OXWFETKHCLWUMY-SECBINFHSA-N 0 3 247.716 3.659 20 0 BHADHN C[C@H](F)CCN(C)Cc1ccc(Cl)c(F)c1 ZINC000351730490 136250327 /nfs/dbraw/zinc/25/03/27/136250327.db2.gz OXWFETKHCLWUMY-VIFPVBQESA-N 0 3 247.716 3.659 20 0 BHADHN CCC(C)(C)CCN(C)[C@H](C)c1ccccn1 ZINC000351794717 136370432 /nfs/dbraw/zinc/37/04/32/136370432.db2.gz FYZKOPSESKQXBQ-CYBMUJFWSA-N 0 3 234.387 3.901 20 0 BHADHN CCC(C)(C)CCN(C)[C@@H](C)c1ccccn1 ZINC000351794719 136370445 /nfs/dbraw/zinc/37/04/45/136370445.db2.gz FYZKOPSESKQXBQ-ZDUSSCGKSA-N 0 3 234.387 3.901 20 0 BHADHN CCCCC[C@H]1CCCN1Cc1conc1C ZINC000351808720 356088658 /nfs/dbraw/zinc/08/86/58/356088658.db2.gz KJXSRZLVVKOBJL-AWEZNQCLSA-N 0 3 236.359 3.528 20 0 BHADHN CCCCC[C@@H]1CCCN1Cc1conc1C ZINC000351808722 535122804 /nfs/dbraw/zinc/12/28/04/535122804.db2.gz KJXSRZLVVKOBJL-CQSZACIVSA-N 0 3 236.359 3.528 20 0 BHADHN CC(C)N(CC[C@@H](C)F)Cc1ccccc1F ZINC000351844521 535073835 /nfs/dbraw/zinc/07/38/35/535073835.db2.gz LTARGMPACYPIKT-GFCCVEGCSA-N 0 3 241.325 3.784 20 0 BHADHN CC(C)N(CC[C@H](C)F)Cc1ccccc1F ZINC000351844522 535074433 /nfs/dbraw/zinc/07/44/33/535074433.db2.gz LTARGMPACYPIKT-LBPRGKRZSA-N 0 3 241.325 3.784 20 0 BHADHN CC(C)N(CCCCF)Cc1ccccc1F ZINC000351844685 535052342 /nfs/dbraw/zinc/05/23/42/535052342.db2.gz MVPRHXVEPTUBSV-UHFFFAOYSA-N 0 3 241.325 3.786 20 0 BHADHN C[C@@H](F)CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000351845308 136257012 /nfs/dbraw/zinc/25/70/12/136257012.db2.gz SDNBCSLVOHGGDB-BXUZGUMPSA-N 0 3 239.309 3.711 20 0 BHADHN C[C@H](F)CCN1CCC[C@H]1c1cccc(F)c1 ZINC000351845309 136257402 /nfs/dbraw/zinc/25/74/02/136257402.db2.gz SDNBCSLVOHGGDB-FZMZJTMJSA-N 0 3 239.309 3.711 20 0 BHADHN C[C@@H](F)CCN1CCC[C@H]1c1cccc(F)c1 ZINC000351845310 136257205 /nfs/dbraw/zinc/25/72/05/136257205.db2.gz SDNBCSLVOHGGDB-RISCZKNCSA-N 0 3 239.309 3.711 20 0 BHADHN C[C@H](F)CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000351845311 136257343 /nfs/dbraw/zinc/25/73/43/136257343.db2.gz SDNBCSLVOHGGDB-SMDDNHRTSA-N 0 3 239.309 3.711 20 0 BHADHN C[C@H](F)CCN(C)Cc1cccc(Cl)c1 ZINC000351860749 356098169 /nfs/dbraw/zinc/09/81/69/356098169.db2.gz YOYDJOSELRSVPU-JTQLQIEISA-N 0 3 229.726 3.520 20 0 BHADHN C[C@@H](F)CCN(C)Cc1cccc(Cl)c1 ZINC000351860750 356098192 /nfs/dbraw/zinc/09/81/92/356098192.db2.gz YOYDJOSELRSVPU-SNVBAGLBSA-N 0 3 229.726 3.520 20 0 BHADHN C[C@@H](F)CCN(C)[C@H](C)c1ccccc1F ZINC000351862966 356100920 /nfs/dbraw/zinc/10/09/20/356100920.db2.gz PULSMDOTZSTPIJ-GHMZBOCLSA-N 0 3 227.298 3.567 20 0 BHADHN C[C@@H](F)CCN(C)[C@@H](C)c1ccccc1F ZINC000351862967 356100592 /nfs/dbraw/zinc/10/05/92/356100592.db2.gz PULSMDOTZSTPIJ-MNOVXSKESA-N 0 3 227.298 3.567 20 0 BHADHN C[C@H](F)CCN(C)[C@@H](C)c1ccccc1F ZINC000351862968 356100931 /nfs/dbraw/zinc/10/09/31/356100931.db2.gz PULSMDOTZSTPIJ-QWRGUYRKSA-N 0 3 227.298 3.567 20 0 BHADHN C[C@H](c1ccccc1F)N(C)CC[C@H](C)F ZINC000351862969 356100435 /nfs/dbraw/zinc/10/04/35/356100435.db2.gz PULSMDOTZSTPIJ-WDEREUQCSA-N 0 3 227.298 3.567 20 0 BHADHN Cc1ccc(F)cc1CN1CCCC2(CC2)C1 ZINC000351874887 136261366 /nfs/dbraw/zinc/26/13/66/136261366.db2.gz ATIQSXFMCSBYDZ-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN Cc1ccc(CN2CCCC3(CC3)C2)cc1F ZINC000351874901 136261363 /nfs/dbraw/zinc/26/13/63/136261363.db2.gz BDNAWDABYFIYFD-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN Clc1cccc(CN2CCCC3(CC3)C2)c1 ZINC000351876750 136261717 /nfs/dbraw/zinc/26/17/17/136261717.db2.gz FSUWWWGTVYRBCI-UHFFFAOYSA-N 0 3 235.758 3.716 20 0 BHADHN CCc1ncc(CN(CC(C)C)C(C)C)s1 ZINC000351887392 356146951 /nfs/dbraw/zinc/14/69/51/356146951.db2.gz FUKPTTIVZKSJAI-UHFFFAOYSA-N 0 3 240.416 3.572 20 0 BHADHN C[C@@H](F)CCN(Cc1cccc(F)c1)C1CC1 ZINC000351889855 356153028 /nfs/dbraw/zinc/15/30/28/356153028.db2.gz CQGLOPNFXUQJJM-LLVKDONJSA-N 0 3 239.309 3.538 20 0 BHADHN C[C@H](F)CCN(Cc1cccc(F)c1)C1CC1 ZINC000351889857 356153064 /nfs/dbraw/zinc/15/30/64/356153064.db2.gz CQGLOPNFXUQJJM-NSHDSACASA-N 0 3 239.309 3.538 20 0 BHADHN Cc1cc(F)ccc1CN1CCCC2(CC2)C1 ZINC000351892237 356158847 /nfs/dbraw/zinc/15/88/47/356158847.db2.gz MQOWCSYVWBOINS-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN C[C@H](F)CCN(C)Cc1ccc(Cl)cc1 ZINC000351896716 356166767 /nfs/dbraw/zinc/16/67/67/356166767.db2.gz FFHKWPQLATWLMH-JTQLQIEISA-N 0 3 229.726 3.520 20 0 BHADHN C[C@@H](F)CCN(C)Cc1ccc(Cl)cc1 ZINC000351896717 356166600 /nfs/dbraw/zinc/16/66/00/356166600.db2.gz FFHKWPQLATWLMH-SNVBAGLBSA-N 0 3 229.726 3.520 20 0 BHADHN Cc1cc(CN2CCCC3(CC3)C2)ccc1F ZINC000351940721 134014677 /nfs/dbraw/zinc/01/46/77/134014677.db2.gz HWNLIXIDHRNFQJ-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN Clc1ccccc1CN1CCCC2(CC2)C1 ZINC000351940811 134014893 /nfs/dbraw/zinc/01/48/93/134014893.db2.gz IWIIXBDLQYXYLN-UHFFFAOYSA-N 0 3 235.758 3.716 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN2CCCC3(CC3)C2)o1 ZINC000351940923 134014807 /nfs/dbraw/zinc/01/48/07/134014807.db2.gz KNZKPEXNKCCYLV-GXTWGEPZSA-N 0 3 245.366 3.779 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN2CCCC3(CC3)C2)o1 ZINC000351940924 134014634 /nfs/dbraw/zinc/01/46/34/134014634.db2.gz KNZKPEXNKCCYLV-JSGCOSHPSA-N 0 3 245.366 3.779 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCCC3(CC3)C2)o1 ZINC000351940925 134014846 /nfs/dbraw/zinc/01/48/46/134014846.db2.gz KNZKPEXNKCCYLV-OCCSQVGLSA-N 0 3 245.366 3.779 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CCCC3(CC3)C2)o1 ZINC000351940926 134014547 /nfs/dbraw/zinc/01/45/47/134014547.db2.gz KNZKPEXNKCCYLV-TZMCWYRMSA-N 0 3 245.366 3.779 20 0 BHADHN c1c2ccccc2oc1CN1CCCC2(CC2)C1 ZINC000351941478 134024865 /nfs/dbraw/zinc/02/48/65/134024865.db2.gz RIQZDLMEZVBXGW-UHFFFAOYSA-N 0 3 241.334 3.809 20 0 BHADHN Cc1ccc(F)c(CN2CCCC3(CC3)C2)c1 ZINC000351941984 134025001 /nfs/dbraw/zinc/02/50/01/134025001.db2.gz ZFYWXJWFJBKUMI-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN CSc1ccc(CN2CCCC3(CC3)C2)cc1 ZINC000351946635 134015624 /nfs/dbraw/zinc/01/56/24/134015624.db2.gz GFIBIGYEKJEWNU-UHFFFAOYSA-N 0 3 247.407 3.785 20 0 BHADHN CN(CCCCc1ccccc1)Cc1ccoc1 ZINC000351971895 536341799 /nfs/dbraw/zinc/34/17/99/536341799.db2.gz GVCDTQKQVWTLCQ-UHFFFAOYSA-N 0 3 243.350 3.734 20 0 BHADHN CCSc1cccc(CN2CCC[C@H]2C)c1 ZINC000351996456 134033089 /nfs/dbraw/zinc/03/30/89/134033089.db2.gz PBIAQIIUFLHXOQ-GFCCVEGCSA-N 0 3 235.396 3.783 20 0 BHADHN CCSc1cccc(CN2CCC[C@@H]2C)c1 ZINC000351996457 134033261 /nfs/dbraw/zinc/03/32/61/134033261.db2.gz PBIAQIIUFLHXOQ-LBPRGKRZSA-N 0 3 235.396 3.783 20 0 BHADHN C[C@@H]1CCN(CCCCF)[C@@H](c2ccco2)C1 ZINC000352002643 134034068 /nfs/dbraw/zinc/03/40/68/134034068.db2.gz HZEQZHJERGGSSM-CHWSQXEVSA-N 0 3 239.334 3.802 20 0 BHADHN C[C@@H]1CCN(CCCCF)[C@H](c2ccco2)C1 ZINC000352002644 134033577 /nfs/dbraw/zinc/03/35/77/134033577.db2.gz HZEQZHJERGGSSM-OLZOCXBDSA-N 0 3 239.334 3.802 20 0 BHADHN C[C@H]1CCN(CCCCF)[C@@H](c2ccco2)C1 ZINC000352002645 134033837 /nfs/dbraw/zinc/03/38/37/134033837.db2.gz HZEQZHJERGGSSM-QWHCGFSZSA-N 0 3 239.334 3.802 20 0 BHADHN C[C@H]1CCN(CCCCF)[C@H](c2ccco2)C1 ZINC000352002646 134034075 /nfs/dbraw/zinc/03/40/75/134034075.db2.gz HZEQZHJERGGSSM-STQMWFEESA-N 0 3 239.334 3.802 20 0 BHADHN CCSc1cccc(CN2CCC23CCC3)c1 ZINC000352002788 134033600 /nfs/dbraw/zinc/03/36/00/134033600.db2.gz NVRWOMPZUHFFLS-UHFFFAOYSA-N 0 3 247.407 3.927 20 0 BHADHN C[C@H](F)CCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000352004194 134034501 /nfs/dbraw/zinc/03/45/01/134034501.db2.gz OPZYTJIWHRNFAC-AGIUHOORSA-N 0 3 239.334 3.801 20 0 BHADHN C[C@H](F)CCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000352004195 134034615 /nfs/dbraw/zinc/03/46/15/134034615.db2.gz OPZYTJIWHRNFAC-AVGNSLFASA-N 0 3 239.334 3.801 20 0 BHADHN C[C@H](F)CCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000352004196 134034313 /nfs/dbraw/zinc/03/43/13/134034313.db2.gz OPZYTJIWHRNFAC-FRRDWIJNSA-N 0 3 239.334 3.801 20 0 BHADHN C[C@H](F)CCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000352004197 134034816 /nfs/dbraw/zinc/03/48/16/134034816.db2.gz OPZYTJIWHRNFAC-RWMBFGLXSA-N 0 3 239.334 3.801 20 0 BHADHN Cc1nc(C)c([C@@H](C)N(C)CC[C@@H](C)F)s1 ZINC000352014498 134035761 /nfs/dbraw/zinc/03/57/61/134035761.db2.gz NIGHCOSDTMLESD-PSASIEDQSA-N 0 3 244.379 3.501 20 0 BHADHN Cc1nc(C)c([C@H](C)N(C)CC[C@@H](C)F)s1 ZINC000352014503 134035798 /nfs/dbraw/zinc/03/57/98/134035798.db2.gz NIGHCOSDTMLESD-SCZZXKLOSA-N 0 3 244.379 3.501 20 0 BHADHN Cc1nc(C)c([C@@H](C)N(C)CC[C@H](C)F)s1 ZINC000352014505 134035940 /nfs/dbraw/zinc/03/59/40/134035940.db2.gz NIGHCOSDTMLESD-WCBMZHEXSA-N 0 3 244.379 3.501 20 0 BHADHN Cc1nc(C)c([C@H](C)N(C)CC[C@H](C)F)s1 ZINC000352014506 134036159 /nfs/dbraw/zinc/03/61/59/134036159.db2.gz NIGHCOSDTMLESD-WPRPVWTQSA-N 0 3 244.379 3.501 20 0 BHADHN C[C@@H](F)CCN(C)Cc1cc2ccccc2o1 ZINC000352015881 134036663 /nfs/dbraw/zinc/03/66/63/134036663.db2.gz SRVFTDPSCNMVJF-LLVKDONJSA-N 0 3 235.302 3.613 20 0 BHADHN C[C@H](F)CCN(C)Cc1cc2ccccc2o1 ZINC000352015882 134036305 /nfs/dbraw/zinc/03/63/05/134036305.db2.gz SRVFTDPSCNMVJF-NSHDSACASA-N 0 3 235.302 3.613 20 0 BHADHN Cc1ccc([C@@H]2CCCCN2CC[C@H](C)F)o1 ZINC000352043196 134045662 /nfs/dbraw/zinc/04/56/62/134045662.db2.gz BAHCTURCVMMERU-AAEUAGOBSA-N 0 3 239.334 3.863 20 0 BHADHN Cc1ccc([C@H]2CCCCN2CC[C@@H](C)F)o1 ZINC000352043197 134045346 /nfs/dbraw/zinc/04/53/46/134045346.db2.gz BAHCTURCVMMERU-DGCLKSJQSA-N 0 3 239.334 3.863 20 0 BHADHN Cc1ccc([C@H]2CCCCN2CC[C@H](C)F)o1 ZINC000352043198 134045355 /nfs/dbraw/zinc/04/53/55/134045355.db2.gz BAHCTURCVMMERU-WCQYABFASA-N 0 3 239.334 3.863 20 0 BHADHN Cc1ccc([C@@H]2CCCCN2CC[C@@H](C)F)o1 ZINC000352043199 134045500 /nfs/dbraw/zinc/04/55/00/134045500.db2.gz BAHCTURCVMMERU-YPMHNXCESA-N 0 3 239.334 3.863 20 0 BHADHN C[C@@H](F)CCN1CCCC[C@H]1c1ccco1 ZINC000352043841 134045472 /nfs/dbraw/zinc/04/54/72/134045472.db2.gz GPFZFKLBQOZVBD-NEPJUHHUSA-N 0 3 225.307 3.555 20 0 BHADHN C[C@H](F)CCN1CCCC[C@@H]1c1ccco1 ZINC000352043842 134045334 /nfs/dbraw/zinc/04/53/34/134045334.db2.gz GPFZFKLBQOZVBD-NWDGAFQWSA-N 0 3 225.307 3.555 20 0 BHADHN C[C@H](F)CCN1CCCC[C@H]1c1ccco1 ZINC000352043843 134045787 /nfs/dbraw/zinc/04/57/87/134045787.db2.gz GPFZFKLBQOZVBD-RYUDHWBXSA-N 0 3 225.307 3.555 20 0 BHADHN C[C@@H](F)CCN1CCCC[C@@H]1c1ccco1 ZINC000352043844 134045694 /nfs/dbraw/zinc/04/56/94/134045694.db2.gz GPFZFKLBQOZVBD-VXGBXAGGSA-N 0 3 225.307 3.555 20 0 BHADHN CCc1ccc([C@@H]2CCCN2CC[C@H](C)F)o1 ZINC000352063163 134054425 /nfs/dbraw/zinc/05/44/25/134054425.db2.gz MJCIINRYJMBDFK-AAEUAGOBSA-N 0 3 239.334 3.727 20 0 BHADHN CCc1ccc([C@H]2CCCN2CC[C@@H](C)F)o1 ZINC000352063165 134054450 /nfs/dbraw/zinc/05/44/50/134054450.db2.gz MJCIINRYJMBDFK-DGCLKSJQSA-N 0 3 239.334 3.727 20 0 BHADHN CCc1ccc([C@H]2CCCN2CC[C@H](C)F)o1 ZINC000352063167 134054566 /nfs/dbraw/zinc/05/45/66/134054566.db2.gz MJCIINRYJMBDFK-WCQYABFASA-N 0 3 239.334 3.727 20 0 BHADHN CCc1ccc([C@@H]2CCCN2CC[C@@H](C)F)o1 ZINC000352063168 134054323 /nfs/dbraw/zinc/05/43/23/134054323.db2.gz MJCIINRYJMBDFK-YPMHNXCESA-N 0 3 239.334 3.727 20 0 BHADHN C[C@@H](F)CCN(C)[C@H](C)c1ccc(F)cc1 ZINC000352097013 134063546 /nfs/dbraw/zinc/06/35/46/134063546.db2.gz MHNBFNXWMQAXKO-GHMZBOCLSA-N 0 3 227.298 3.567 20 0 BHADHN C[C@@H](F)CCN(C)[C@@H](C)c1ccc(F)cc1 ZINC000352097014 134063501 /nfs/dbraw/zinc/06/35/01/134063501.db2.gz MHNBFNXWMQAXKO-MNOVXSKESA-N 0 3 227.298 3.567 20 0 BHADHN C[C@H](F)CCN(C)[C@@H](C)c1ccc(F)cc1 ZINC000352097015 134063697 /nfs/dbraw/zinc/06/36/97/134063697.db2.gz MHNBFNXWMQAXKO-QWRGUYRKSA-N 0 3 227.298 3.567 20 0 BHADHN C[C@H](c1ccc(F)cc1)N(C)CC[C@H](C)F ZINC000352097017 134063390 /nfs/dbraw/zinc/06/33/90/134063390.db2.gz MHNBFNXWMQAXKO-WDEREUQCSA-N 0 3 227.298 3.567 20 0 BHADHN C[C@@H](F)CCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000352102344 134067808 /nfs/dbraw/zinc/06/78/08/134067808.db2.gz MBLINIMTWSMUQV-BXUZGUMPSA-N 0 3 239.309 3.711 20 0 BHADHN C[C@H](F)CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000352102345 134068247 /nfs/dbraw/zinc/06/82/47/134068247.db2.gz MBLINIMTWSMUQV-FZMZJTMJSA-N 0 3 239.309 3.711 20 0 BHADHN C[C@@H](F)CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000352102346 134068235 /nfs/dbraw/zinc/06/82/35/134068235.db2.gz MBLINIMTWSMUQV-RISCZKNCSA-N 0 3 239.309 3.711 20 0 BHADHN C[C@H](F)CCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000352102347 134067922 /nfs/dbraw/zinc/06/79/22/134067922.db2.gz MBLINIMTWSMUQV-SMDDNHRTSA-N 0 3 239.309 3.711 20 0 BHADHN CN(CCCCF)Cc1ccccc1Cl ZINC000352102903 536334620 /nfs/dbraw/zinc/33/46/20/536334620.db2.gz UVLRKWMCWYKULK-UHFFFAOYSA-N 0 3 229.726 3.522 20 0 BHADHN C[C@@H](F)CCN(Cc1ccc(F)cc1)C1CC1 ZINC000352102915 134067825 /nfs/dbraw/zinc/06/78/25/134067825.db2.gz VCRFBNGZBYOFGV-LLVKDONJSA-N 0 3 239.309 3.538 20 0 BHADHN C[C@H](F)CCN(Cc1ccc(F)cc1)C1CC1 ZINC000352102916 134067899 /nfs/dbraw/zinc/06/78/99/134067899.db2.gz VCRFBNGZBYOFGV-NSHDSACASA-N 0 3 239.309 3.538 20 0 BHADHN FCCCCN(Cc1ccccc1F)C1CC1 ZINC000352103229 134067882 /nfs/dbraw/zinc/06/78/82/134067882.db2.gz YWEQBXGNWVSCOI-UHFFFAOYSA-N 0 3 239.309 3.540 20 0 BHADHN C[C@@H](F)CCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000352113969 134068504 /nfs/dbraw/zinc/06/85/04/134068504.db2.gz QORUWTFNSUBPNN-NXEZZACHSA-N 0 3 245.288 3.706 20 0 BHADHN C[C@H](F)CCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000352113970 134068383 /nfs/dbraw/zinc/06/83/83/134068383.db2.gz QORUWTFNSUBPNN-UWVGGRQHSA-N 0 3 245.288 3.706 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N(C)CC[C@H](C)F ZINC000352113971 134068675 /nfs/dbraw/zinc/06/86/75/134068675.db2.gz QORUWTFNSUBPNN-VHSXEESVSA-N 0 3 245.288 3.706 20 0 BHADHN C[C@@H](F)CCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000352113972 134068443 /nfs/dbraw/zinc/06/84/43/134068443.db2.gz QORUWTFNSUBPNN-ZJUUUORDSA-N 0 3 245.288 3.706 20 0 BHADHN C[C@@H](F)CCN(C)Cc1ccc(Cl)s1 ZINC000352114392 134068379 /nfs/dbraw/zinc/06/83/79/134068379.db2.gz XSINHZIXZIKBNZ-MRVPVSSYSA-N 0 3 235.755 3.581 20 0 BHADHN C[C@H](F)CCN(C)Cc1ccc(Cl)s1 ZINC000352114393 134068682 /nfs/dbraw/zinc/06/86/82/134068682.db2.gz XSINHZIXZIKBNZ-QMMMGPOBSA-N 0 3 235.755 3.581 20 0 BHADHN C[C@H](c1cccnc1)N1CCC(C)(C2CC2)CC1 ZINC000352174385 177044998 /nfs/dbraw/zinc/04/49/98/177044998.db2.gz AVZQOUNCYLRAIY-CYBMUJFWSA-N 0 3 244.382 3.655 20 0 BHADHN C[C@@H](c1cccnc1)N1CCC(C)(C2CC2)CC1 ZINC000352174386 176028899 /nfs/dbraw/zinc/02/88/99/176028899.db2.gz AVZQOUNCYLRAIY-ZDUSSCGKSA-N 0 3 244.382 3.655 20 0 BHADHN C[C@H](c1ccccn1)N1CCC(C)(C2CC2)CC1 ZINC000352176185 177043772 /nfs/dbraw/zinc/04/37/72/177043772.db2.gz LRSIKGGUEFMDNO-CYBMUJFWSA-N 0 3 244.382 3.655 20 0 BHADHN C[C@@H](c1ccccn1)N1CCC(C)(C2CC2)CC1 ZINC000352176186 176027685 /nfs/dbraw/zinc/02/76/85/176027685.db2.gz LRSIKGGUEFMDNO-ZDUSSCGKSA-N 0 3 244.382 3.655 20 0 BHADHN CCc1ccc(CN[C@H](C)c2cccs2)cn1 ZINC000352242977 134118674 /nfs/dbraw/zinc/11/86/74/134118674.db2.gz VAPYRJVRZXBRNX-LLVKDONJSA-N 0 3 246.379 3.556 20 0 BHADHN CCc1ccc(CN[C@@H](C)c2cccs2)cn1 ZINC000352242978 134118737 /nfs/dbraw/zinc/11/87/37/134118737.db2.gz VAPYRJVRZXBRNX-NSHDSACASA-N 0 3 246.379 3.556 20 0 BHADHN c1csc(CNCc2ccc3occc3c2)c1 ZINC000352243166 134118703 /nfs/dbraw/zinc/11/87/03/134118703.db2.gz XWCWGQOAKIBIKT-UHFFFAOYSA-N 0 3 243.331 3.784 20 0 BHADHN c1cc2cc(CNCc3ccccc3)ccc2o1 ZINC000352252393 134119015 /nfs/dbraw/zinc/11/90/15/134119015.db2.gz YOJLVJYGLOAODW-UHFFFAOYSA-N 0 3 237.302 3.723 20 0 BHADHN CSc1ccccc1CN1CCCC2(CC2)C1 ZINC000352266798 134128976 /nfs/dbraw/zinc/12/89/76/134128976.db2.gz PBMAWTGWGCOMAY-UHFFFAOYSA-N 0 3 247.407 3.785 20 0 BHADHN c1ccc(SCCN2CCCC3(CC3)C2)cc1 ZINC000352280340 134129877 /nfs/dbraw/zinc/12/98/77/134129877.db2.gz PYJARCVAQXEXFE-UHFFFAOYSA-N 0 3 247.407 3.655 20 0 BHADHN CC1=C(c2ccco2)CN(CC[C@@H](C)F)CC1 ZINC000352371774 168089888 /nfs/dbraw/zinc/08/98/88/168089888.db2.gz LQEBANUEMZYQOO-GFCCVEGCSA-N 0 3 237.318 3.507 20 0 BHADHN CC1=C(c2ccco2)CN(CC[C@H](C)F)CC1 ZINC000352371775 168089961 /nfs/dbraw/zinc/08/99/61/168089961.db2.gz LQEBANUEMZYQOO-LBPRGKRZSA-N 0 3 237.318 3.507 20 0 BHADHN C[C@@H](F)CCN1CCC=C(c2ccccc2)C1 ZINC000352372010 387116201 /nfs/dbraw/zinc/11/62/01/387116201.db2.gz NVFZWUZATFZDLA-CYBMUJFWSA-N 0 3 233.330 3.524 20 0 BHADHN C[C@H](F)CCN1CCC=C(c2ccccc2)C1 ZINC000352372011 387116597 /nfs/dbraw/zinc/11/65/97/387116597.db2.gz NVFZWUZATFZDLA-ZDUSSCGKSA-N 0 3 233.330 3.524 20 0 BHADHN CCCC[C@H](C)N(C)Cc1sc(C)nc1C ZINC000352392448 356336992 /nfs/dbraw/zinc/33/69/92/356336992.db2.gz UDUDSJNDXSNCFE-JTQLQIEISA-N 0 3 240.416 3.770 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1sc(C)nc1C ZINC000352392449 356336479 /nfs/dbraw/zinc/33/64/79/356336479.db2.gz UDUDSJNDXSNCFE-SNVBAGLBSA-N 0 3 240.416 3.770 20 0 BHADHN CN(CCCCF)Cc1ccc(F)c(Cl)c1 ZINC000352402987 387147912 /nfs/dbraw/zinc/14/79/12/387147912.db2.gz RCZDLTWBZPIPRB-UHFFFAOYSA-N 0 3 247.716 3.661 20 0 BHADHN C[C@@H](F)CCN(C)Cc1ccc(F)c(Cl)c1 ZINC000352403707 387148494 /nfs/dbraw/zinc/14/84/94/387148494.db2.gz XADGRBJWNNVUFY-SECBINFHSA-N 0 3 247.716 3.659 20 0 BHADHN C[C@H](F)CCN(C)Cc1ccc(F)c(Cl)c1 ZINC000352403708 387148368 /nfs/dbraw/zinc/14/83/68/387148368.db2.gz XADGRBJWNNVUFY-VIFPVBQESA-N 0 3 247.716 3.659 20 0 BHADHN CSc1ccccc1CN(C)CCCCF ZINC000352421591 387185170 /nfs/dbraw/zinc/18/51/70/387185170.db2.gz MHGMMSQOJLSLGJ-UHFFFAOYSA-N 0 3 241.375 3.590 20 0 BHADHN CSc1ccccc1CN(C)CC[C@@H](C)F ZINC000352421635 387185457 /nfs/dbraw/zinc/18/54/57/387185457.db2.gz MTKWLIDVSIWVPY-LLVKDONJSA-N 0 3 241.375 3.588 20 0 BHADHN CSc1ccccc1CN(C)CC[C@H](C)F ZINC000352421636 387185587 /nfs/dbraw/zinc/18/55/87/387185587.db2.gz MTKWLIDVSIWVPY-NSHDSACASA-N 0 3 241.375 3.588 20 0 BHADHN CN(CCCCF)Cc1cc(Cl)ccc1F ZINC000352422509 387188003 /nfs/dbraw/zinc/18/80/03/387188003.db2.gz SFVLHKVBHNSTTQ-UHFFFAOYSA-N 0 3 247.716 3.661 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1c(C)onc1CC ZINC000352424598 356348215 /nfs/dbraw/zinc/34/82/15/356348215.db2.gz UIUCUXXKECIZLD-LLVKDONJSA-N 0 3 238.375 3.556 20 0 BHADHN CCCC[C@H](C)N(C)Cc1c(C)onc1CC ZINC000352424599 356348170 /nfs/dbraw/zinc/34/81/70/356348170.db2.gz UIUCUXXKECIZLD-NSHDSACASA-N 0 3 238.375 3.556 20 0 BHADHN c1cc(CNCc2ccc3sccc3c2)c[nH]1 ZINC000352447668 183352776 /nfs/dbraw/zinc/35/27/76/183352776.db2.gz NDKSHRDRROKABZ-UHFFFAOYSA-N 0 3 242.347 3.519 20 0 BHADHN c1coc(C2=CCCN(Cc3ccccc3)C2)c1 ZINC000352545360 387306546 /nfs/dbraw/zinc/30/65/46/387306546.db2.gz WWHBYCJHTPBNNZ-UHFFFAOYSA-N 0 3 239.318 3.569 20 0 BHADHN CC/C=C\CCN1CCC=C(c2ccco2)C1 ZINC000352570860 370687883 /nfs/dbraw/zinc/68/78/83/370687883.db2.gz NBIZEVYXKXAZTD-ARJAWSKDSA-N 0 3 231.339 3.725 20 0 BHADHN CC/C=C/CCN1CCC=C(c2ccco2)C1 ZINC000352570861 370689034 /nfs/dbraw/zinc/68/90/34/370689034.db2.gz NBIZEVYXKXAZTD-ONEGZZNKSA-N 0 3 231.339 3.725 20 0 BHADHN Cc1ccc(F)cc1CN1CCC2(CCC2)C1 ZINC000352606458 398321675 /nfs/dbraw/zinc/32/16/75/398321675.db2.gz XTIAXBFCLDPSFD-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN CN(Cc1ccoc1)C[C@H]1C[C@H]1c1ccccc1 ZINC000352644074 387405499 /nfs/dbraw/zinc/40/54/99/387405499.db2.gz OMWMMNCPCQYFFB-CVEARBPZSA-N 0 3 241.334 3.515 20 0 BHADHN CN(Cc1ccoc1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000352644076 387405802 /nfs/dbraw/zinc/40/58/02/387405802.db2.gz OMWMMNCPCQYFFB-HOTGVXAUSA-N 0 3 241.334 3.515 20 0 BHADHN CN(Cc1ccoc1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000352644078 387405563 /nfs/dbraw/zinc/40/55/63/387405563.db2.gz OMWMMNCPCQYFFB-HZPDHXFCSA-N 0 3 241.334 3.515 20 0 BHADHN CN(Cc1ccoc1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000352644080 387404892 /nfs/dbraw/zinc/40/48/92/387404892.db2.gz OMWMMNCPCQYFFB-JKSUJKDBSA-N 0 3 241.334 3.515 20 0 BHADHN CC1CCC(CN(C)Cc2ccoc2)CC1 ZINC000352644420 168153723 /nfs/dbraw/zinc/15/37/23/168153723.db2.gz OSRKXHBWXZFPAZ-UHFFFAOYSA-N 0 3 221.344 3.538 20 0 BHADHN CC[C@@H]1CCCN1Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000352651031 356395400 /nfs/dbraw/zinc/39/54/00/356395400.db2.gz CXXKIXRKZWEKDJ-BZPMIXESSA-N 0 3 233.355 3.777 20 0 BHADHN CC[C@@H]1CCCN1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000352651032 356395267 /nfs/dbraw/zinc/39/52/67/356395267.db2.gz CXXKIXRKZWEKDJ-OUCADQQQSA-N 0 3 233.355 3.777 20 0 BHADHN CC[C@@H]1CCCN1Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000352651033 356395201 /nfs/dbraw/zinc/39/52/01/356395201.db2.gz CXXKIXRKZWEKDJ-SCRDCRAPSA-N 0 3 233.355 3.777 20 0 BHADHN CC[C@@H]1CCCN1Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000352651034 356395760 /nfs/dbraw/zinc/39/57/60/356395760.db2.gz CXXKIXRKZWEKDJ-YRGRVCCFSA-N 0 3 233.355 3.777 20 0 BHADHN CN(Cc1ccoc1)CC1CCCCCC1 ZINC000352654149 387417277 /nfs/dbraw/zinc/41/72/77/387417277.db2.gz HVLHIWDPSAMFPA-UHFFFAOYSA-N 0 3 221.344 3.682 20 0 BHADHN CC[C@@H]1CCCN1Cc1cnc(C(C)C)s1 ZINC000352655587 356396475 /nfs/dbraw/zinc/39/64/75/356396475.db2.gz SYJPPEWNCBJAPY-LLVKDONJSA-N 0 3 238.400 3.641 20 0 BHADHN CC[C@H]1CCCN1Cc1cnc(C(C)C)s1 ZINC000352655588 387418221 /nfs/dbraw/zinc/41/82/21/387418221.db2.gz SYJPPEWNCBJAPY-NSHDSACASA-N 0 3 238.400 3.641 20 0 BHADHN Clc1ccc(CN2CCC[C@@H]3CCC[C@H]32)o1 ZINC000352718109 387460988 /nfs/dbraw/zinc/46/09/88/387460988.db2.gz FYTZKVWILGUNNI-CMPLNLGQSA-N 0 3 239.746 3.698 20 0 BHADHN Clc1ccc(CN2CCC[C@H]3CCC[C@H]32)o1 ZINC000352718110 387460499 /nfs/dbraw/zinc/46/04/99/387460499.db2.gz FYTZKVWILGUNNI-ZYHUDNBSSA-N 0 3 239.746 3.698 20 0 BHADHN c1cc2cc(CN[C@H]3C=CCCC3)ccc2o1 ZINC000352760933 387467360 /nfs/dbraw/zinc/46/73/60/387467360.db2.gz BPDYHBCOBBUJJX-AWEZNQCLSA-N 0 3 227.307 3.631 20 0 BHADHN c1cc2cc(CN[C@@H]3C=CCCC3)ccc2o1 ZINC000352760934 387466135 /nfs/dbraw/zinc/46/61/35/387466135.db2.gz BPDYHBCOBBUJJX-CQSZACIVSA-N 0 3 227.307 3.631 20 0 BHADHN c1cc2cc(CNCc3ccsc3)ccc2o1 ZINC000352781488 183374787 /nfs/dbraw/zinc/37/47/87/183374787.db2.gz ZNZLKKJADOSRFN-UHFFFAOYSA-N 0 3 243.331 3.784 20 0 BHADHN CC(C)N(Cc1ccn(C2CCCC2)n1)C(C)C ZINC000352782435 387478840 /nfs/dbraw/zinc/47/88/40/387478840.db2.gz DOBNRMARXYCOLK-UHFFFAOYSA-N 0 3 249.402 3.617 20 0 BHADHN C[C@H]1CCCN(Cc2ccc(Cl)o2)CC1 ZINC000352797638 177101087 /nfs/dbraw/zinc/10/10/87/177101087.db2.gz JHHKCCYVBNDGGM-JTQLQIEISA-N 0 3 227.735 3.555 20 0 BHADHN C[C@@H]1CCCN(Cc2ccc(Cl)o2)CC1 ZINC000352798074 176101174 /nfs/dbraw/zinc/10/11/74/176101174.db2.gz JHHKCCYVBNDGGM-SNVBAGLBSA-N 0 3 227.735 3.555 20 0 BHADHN C[C@@H]1CCCN(Cc2ccc(F)c(F)c2)CC1 ZINC000352800084 176101098 /nfs/dbraw/zinc/10/10/98/176101098.db2.gz GREFRZMAAPQROL-LLVKDONJSA-N 0 3 239.309 3.587 20 0 BHADHN C[C@H]1CCCN(Cc2ccc(F)c(F)c2)CC1 ZINC000352800093 177101535 /nfs/dbraw/zinc/10/15/35/177101535.db2.gz GREFRZMAAPQROL-NSHDSACASA-N 0 3 239.309 3.587 20 0 BHADHN C[C@H]1CCCN(Cc2cccc(F)c2F)CC1 ZINC000352801214 177102419 /nfs/dbraw/zinc/10/24/19/177102419.db2.gz RZLUXFISOWUFGS-NSHDSACASA-N 0 3 239.309 3.587 20 0 BHADHN CC(C)OCCN([C@@H](C)c1ccccc1)C1CC1 ZINC000352834833 167229181 /nfs/dbraw/zinc/22/91/81/167229181.db2.gz XDBNWPMXPPPARR-AWEZNQCLSA-N 0 3 247.382 3.637 20 0 BHADHN CC(C)OCCN([C@H](C)c1ccccc1)C1CC1 ZINC000352834834 167228287 /nfs/dbraw/zinc/22/82/87/167228287.db2.gz XDBNWPMXPPPARR-CQSZACIVSA-N 0 3 247.382 3.637 20 0 BHADHN CC(C)(C)C[C@H]1CCCN1Cc1nccs1 ZINC000352867334 386788150 /nfs/dbraw/zinc/78/81/50/386788150.db2.gz QHLCADQULXCBBD-LLVKDONJSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)(C)C[C@@H]1CCCN1Cc1nccs1 ZINC000352867335 386786872 /nfs/dbraw/zinc/78/68/72/386786872.db2.gz QHLCADQULXCBBD-NSHDSACASA-N 0 3 238.400 3.544 20 0 BHADHN CCC1(CC)CCC(NCc2n[nH]cc2C)CC1 ZINC000352904548 386955966 /nfs/dbraw/zinc/95/59/66/386955966.db2.gz UEAKZZQWPLGUOP-UHFFFAOYSA-N 0 3 249.402 3.557 20 0 BHADHN Cc1ccc(CN2CCC(C(C)(C)C)CC2)nc1 ZINC000352917417 386966879 /nfs/dbraw/zinc/96/68/79/386966879.db2.gz XPEGDNHWMLLBPJ-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN C[C@@H]1CCCN(Cc2ccc(F)cc2F)[C@@H]1C ZINC000352926407 176101934 /nfs/dbraw/zinc/10/19/34/176101934.db2.gz OZSSHADIMCWXDE-GHMZBOCLSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CCCN(Cc2ccc(F)cc2F)[C@H]1C ZINC000352926408 386967899 /nfs/dbraw/zinc/96/78/99/386967899.db2.gz OZSSHADIMCWXDE-MNOVXSKESA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CCCN(Cc2ccc(F)cc2F)[C@H]1C ZINC000352926409 177102190 /nfs/dbraw/zinc/10/21/90/177102190.db2.gz OZSSHADIMCWXDE-QWRGUYRKSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(F)cc1F ZINC000352926410 177102430 /nfs/dbraw/zinc/10/24/30/177102430.db2.gz OZSSHADIMCWXDE-WDEREUQCSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CCCN(Cc2ccc(F)c(F)c2)[C@@H]1C ZINC000352927461 176101355 /nfs/dbraw/zinc/10/13/55/176101355.db2.gz XPBRFBJRGCMEME-GHMZBOCLSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CCCN(Cc2ccc(F)c(F)c2)[C@H]1C ZINC000352927462 386968520 /nfs/dbraw/zinc/96/85/20/386968520.db2.gz XPBRFBJRGCMEME-MNOVXSKESA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CCCN(Cc2ccc(F)c(F)c2)[C@H]1C ZINC000352927463 177101638 /nfs/dbraw/zinc/10/16/38/177101638.db2.gz XPBRFBJRGCMEME-QWRGUYRKSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(F)c(F)c1 ZINC000352927464 177102422 /nfs/dbraw/zinc/10/24/22/177102422.db2.gz XPBRFBJRGCMEME-WDEREUQCSA-N 0 3 239.309 3.585 20 0 BHADHN Cc1ccc(F)c(CN2CCCC2(C)C)c1 ZINC000352935947 386972080 /nfs/dbraw/zinc/97/20/80/386972080.db2.gz SMNYDOGKZMIOCU-UHFFFAOYSA-N 0 3 221.319 3.509 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN2CCCC2(C)C)o1 ZINC000352936067 177351236 /nfs/dbraw/zinc/35/12/36/177351236.db2.gz SXFFHCFBMPKXMU-AAEUAGOBSA-N 0 3 233.355 3.777 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CCCC2(C)C)o1 ZINC000352936068 187207220 /nfs/dbraw/zinc/20/72/20/187207220.db2.gz SXFFHCFBMPKXMU-DGCLKSJQSA-N 0 3 233.355 3.777 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN2CCCC2(C)C)o1 ZINC000352936069 386970723 /nfs/dbraw/zinc/97/07/23/386970723.db2.gz SXFFHCFBMPKXMU-WCQYABFASA-N 0 3 233.355 3.777 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCCC2(C)C)o1 ZINC000352936070 386970226 /nfs/dbraw/zinc/97/02/26/386970226.db2.gz SXFFHCFBMPKXMU-YPMHNXCESA-N 0 3 233.355 3.777 20 0 BHADHN C[C@@H]1CCCN(Cc2cccc(F)c2F)[C@@H]1C ZINC000352960301 176101524 /nfs/dbraw/zinc/10/15/24/176101524.db2.gz DXXJTCRROTWELI-GHMZBOCLSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CCCN(Cc2cccc(F)c2F)[C@H]1C ZINC000352960302 386977520 /nfs/dbraw/zinc/97/75/20/386977520.db2.gz DXXJTCRROTWELI-MNOVXSKESA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CCCN(Cc2cccc(F)c2F)[C@H]1C ZINC000352960303 177101259 /nfs/dbraw/zinc/10/12/59/177101259.db2.gz DXXJTCRROTWELI-QWRGUYRKSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1[C@@H](C)CCCN1Cc1cccc(F)c1F ZINC000352960305 177102237 /nfs/dbraw/zinc/10/22/37/177102237.db2.gz DXXJTCRROTWELI-WDEREUQCSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CCCN(Cc2cc(F)cc(F)c2)[C@@H]1C ZINC000352963608 176099603 /nfs/dbraw/zinc/09/96/03/176099603.db2.gz QAVXAQJUGHYNSR-GHMZBOCLSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CCCN(Cc2cc(F)cc(F)c2)[C@H]1C ZINC000352963609 386976357 /nfs/dbraw/zinc/97/63/57/386976357.db2.gz QAVXAQJUGHYNSR-MNOVXSKESA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CCCN(Cc2cc(F)cc(F)c2)[C@H]1C ZINC000352963614 177099638 /nfs/dbraw/zinc/09/96/38/177099638.db2.gz QAVXAQJUGHYNSR-QWRGUYRKSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1[C@@H](C)CCCN1Cc1cc(F)cc(F)c1 ZINC000352963617 177099576 /nfs/dbraw/zinc/09/95/76/177099576.db2.gz QAVXAQJUGHYNSR-WDEREUQCSA-N 0 3 239.309 3.585 20 0 BHADHN CN(CCc1ccc(Cl)cc1)Cc1ccoc1 ZINC000352975382 386981912 /nfs/dbraw/zinc/98/19/12/386981912.db2.gz UUWIQQBMIUQXQB-UHFFFAOYSA-N 0 3 249.741 3.608 20 0 BHADHN FC(F)(F)C1(CNCc2ccccc2)CCC1 ZINC000353100451 386615379 /nfs/dbraw/zinc/61/53/79/386615379.db2.gz URGKMCBGVYCCEX-UHFFFAOYSA-N 0 3 243.272 3.509 20 0 BHADHN CN(CCC1CCCCC1)Cc1ccoc1 ZINC000353102678 398015294 /nfs/dbraw/zinc/01/52/94/398015294.db2.gz PKPUASAKSGQZBI-UHFFFAOYSA-N 0 3 221.344 3.682 20 0 BHADHN CCC1(C)CCN(Cc2occc2C)CC1 ZINC000353128165 387142093 /nfs/dbraw/zinc/14/20/93/387142093.db2.gz QSURFCBAILGWCW-UHFFFAOYSA-N 0 3 221.344 3.600 20 0 BHADHN CCC1(C)CCN(Cc2ccsc2)CC1 ZINC000353132050 387141050 /nfs/dbraw/zinc/14/10/50/387141050.db2.gz ZWFOFQKALUNIFE-UHFFFAOYSA-N 0 3 223.385 3.760 20 0 BHADHN Cc1noc(C)c1C(C)(C)NCCCC(C)C ZINC000353132804 397962589 /nfs/dbraw/zinc/96/25/89/397962589.db2.gz CVXCSPXKAHHRKJ-UHFFFAOYSA-N 0 3 238.375 3.552 20 0 BHADHN Cn1ccc(CN2CCC3(CCCCC3)CC2)c1 ZINC000353133690 387141911 /nfs/dbraw/zinc/14/19/11/387141911.db2.gz FOCKHUGRIDZEJB-UHFFFAOYSA-N 0 3 246.398 3.571 20 0 BHADHN c1coc(CN2CCC3(CCCCC3)CC2)c1 ZINC000353137042 387142455 /nfs/dbraw/zinc/14/24/55/387142455.db2.gz LTYUILVVMLPSGC-UHFFFAOYSA-N 0 3 233.355 3.826 20 0 BHADHN Cn1cccc1CN1CCC2(CCCCC2)CC1 ZINC000353144076 386649608 /nfs/dbraw/zinc/64/96/08/386649608.db2.gz IEMKDJUPZLESGX-UHFFFAOYSA-N 0 3 246.398 3.571 20 0 BHADHN CCC1(C)CCN(Cc2ccc(C)o2)CC1 ZINC000353145615 387145594 /nfs/dbraw/zinc/14/55/94/387145594.db2.gz WOPHHICBRXAJAY-UHFFFAOYSA-N 0 3 221.344 3.600 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)no1 ZINC000353279877 178256368 /nfs/dbraw/zinc/25/63/68/178256368.db2.gz YPPOGZBLRAGSMT-IGQOVBAYSA-N 0 3 248.370 3.602 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)no1 ZINC000353279878 178255615 /nfs/dbraw/zinc/25/56/15/178255615.db2.gz YPPOGZBLRAGSMT-REWJHTLYSA-N 0 3 248.370 3.602 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H]3CCC[C@H]3C2)no1 ZINC000353279879 178255463 /nfs/dbraw/zinc/25/54/63/178255463.db2.gz YPPOGZBLRAGSMT-RFQIPJPRSA-N 0 3 248.370 3.602 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)no1 ZINC000353279880 178254761 /nfs/dbraw/zinc/25/47/61/178254761.db2.gz YPPOGZBLRAGSMT-XDQVBPFNSA-N 0 3 248.370 3.602 20 0 BHADHN Cc1sccc1CN1CCC(C)=C(C)C1 ZINC000353286368 168085648 /nfs/dbraw/zinc/08/56/48/168085648.db2.gz LMZVZEUEAUONDW-UHFFFAOYSA-N 0 3 221.369 3.599 20 0 BHADHN CN(Cc1ccco1)C1CCC(C)(C)CC1 ZINC000353296508 387172881 /nfs/dbraw/zinc/17/28/81/387172881.db2.gz CDYBGSPVQINOFR-UHFFFAOYSA-N 0 3 221.344 3.680 20 0 BHADHN COc1c2ccccc2oc1CN[C@H](C)C(C)C ZINC000353335454 387182475 /nfs/dbraw/zinc/18/24/75/387182475.db2.gz QTSGHKMGQKYPSY-LLVKDONJSA-N 0 3 247.338 3.576 20 0 BHADHN COc1c2ccccc2oc1CN[C@@H](C)C(C)C ZINC000353335455 387183665 /nfs/dbraw/zinc/18/36/65/387183665.db2.gz QTSGHKMGQKYPSY-NSHDSACASA-N 0 3 247.338 3.576 20 0 BHADHN c1cc2cccc(CN3Cc4ccccc4C3)c2[nH]1 ZINC000353381923 183447516 /nfs/dbraw/zinc/44/75/16/183447516.db2.gz BDQPTEWJHRZHCJ-UHFFFAOYSA-N 0 3 248.329 3.684 20 0 BHADHN CC(C)CC[C@@H]1CCC[C@H]1N[C@H](C)c1ncc[nH]1 ZINC000353403943 538740978 /nfs/dbraw/zinc/74/09/78/538740978.db2.gz NXYSNDDVEUVPQD-HZSPNIEDSA-N 0 3 249.402 3.665 20 0 BHADHN CC(C)CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ncc[nH]1 ZINC000353403944 538740287 /nfs/dbraw/zinc/74/02/87/538740287.db2.gz NXYSNDDVEUVPQD-IHRRRGAJSA-N 0 3 249.402 3.665 20 0 BHADHN CC(C)CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ncc[nH]1 ZINC000353404234 538739531 /nfs/dbraw/zinc/73/95/31/538739531.db2.gz NXYSNDDVEUVPQD-MELADBBJSA-N 0 3 249.402 3.665 20 0 BHADHN CC(C)CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ncc[nH]1 ZINC000353404239 538739321 /nfs/dbraw/zinc/73/93/21/538739321.db2.gz NXYSNDDVEUVPQD-RDBSUJKOSA-N 0 3 249.402 3.665 20 0 BHADHN Cc1ccoc1CN1CCc2ccccc2[C@H]1C ZINC000353407308 387195665 /nfs/dbraw/zinc/19/56/65/387195665.db2.gz RVFLPMHWXSTZSI-CYBMUJFWSA-N 0 3 241.334 3.707 20 0 BHADHN Cc1ccoc1CN1CCc2ccccc2[C@@H]1C ZINC000353407313 387194243 /nfs/dbraw/zinc/19/42/43/387194243.db2.gz RVFLPMHWXSTZSI-ZDUSSCGKSA-N 0 3 241.334 3.707 20 0 BHADHN C[C@@H]1c2ccccc2CCN1Cc1ccsc1 ZINC000353408560 387197807 /nfs/dbraw/zinc/19/78/07/387197807.db2.gz UABNQCGLLNCBJY-GFCCVEGCSA-N 0 3 243.375 3.867 20 0 BHADHN C[C@H]1c2ccccc2CCN1Cc1ccsc1 ZINC000353408561 387197330 /nfs/dbraw/zinc/19/73/30/387197330.db2.gz UABNQCGLLNCBJY-LBPRGKRZSA-N 0 3 243.375 3.867 20 0 BHADHN Cc1ccoc1CN1CCCc2ccccc2C1 ZINC000353416174 387197473 /nfs/dbraw/zinc/19/74/73/387197473.db2.gz LVEKVBGBTYEWPH-UHFFFAOYSA-N 0 3 241.334 3.536 20 0 BHADHN c1cc(CN2CCC3(CCCC3)CC2)cs1 ZINC000353416652 183339537 /nfs/dbraw/zinc/33/95/37/183339537.db2.gz PMKRZMWWEATKAS-UHFFFAOYSA-N 0 3 235.396 3.904 20 0 BHADHN c1cc(CN2CCCc3ccccc3C2)cs1 ZINC000353418280 387197914 /nfs/dbraw/zinc/19/79/14/387197914.db2.gz CDJUNINTWVJHEH-UHFFFAOYSA-N 0 3 243.375 3.697 20 0 BHADHN Cc1ccc(CN2CCCc3ccccc3C2)o1 ZINC000353419218 487662071 /nfs/dbraw/zinc/66/20/71/487662071.db2.gz BFZSYNNADCZFTR-UHFFFAOYSA-N 0 3 241.334 3.536 20 0 BHADHN Cc1ccc(CN2CCC3(CCCC3)CC2)o1 ZINC000353419929 386126257 /nfs/dbraw/zinc/12/62/57/386126257.db2.gz DWLJAIHEKSOFRS-UHFFFAOYSA-N 0 3 233.355 3.744 20 0 BHADHN Cc1ccoc1CN1CCC2(CCCC2)CC1 ZINC000353421957 387198522 /nfs/dbraw/zinc/19/85/22/387198522.db2.gz MAHLQRKEOUMXGR-UHFFFAOYSA-N 0 3 233.355 3.744 20 0 BHADHN C[C@H](CN(C)Cc1ccoc1)c1ccccc1 ZINC000353453677 385682785 /nfs/dbraw/zinc/68/27/85/385682785.db2.gz GNCUBZUAWHMMDG-CYBMUJFWSA-N 0 3 229.323 3.515 20 0 BHADHN C[C@@H](CN(C)Cc1ccoc1)c1ccccc1 ZINC000353453678 385682660 /nfs/dbraw/zinc/68/26/60/385682660.db2.gz GNCUBZUAWHMMDG-ZDUSSCGKSA-N 0 3 229.323 3.515 20 0 BHADHN C[C@H](CCC1CCCCC1)N[C@H](C)c1ncc[nH]1 ZINC000353516261 538747268 /nfs/dbraw/zinc/74/72/68/538747268.db2.gz GKCJNZOPIPWLOH-CHWSQXEVSA-N 0 3 249.402 3.809 20 0 BHADHN C[C@H](CCC1CCCCC1)N[C@@H](C)c1ncc[nH]1 ZINC000353516262 538747396 /nfs/dbraw/zinc/74/73/96/538747396.db2.gz GKCJNZOPIPWLOH-OLZOCXBDSA-N 0 3 249.402 3.809 20 0 BHADHN C[C@@H](N[C@@H](C)CCC1CCCCC1)c1ncc[nH]1 ZINC000353516263 538746632 /nfs/dbraw/zinc/74/66/32/538746632.db2.gz GKCJNZOPIPWLOH-QWHCGFSZSA-N 0 3 249.402 3.809 20 0 BHADHN C[C@@H](CCC1CCCCC1)N[C@@H](C)c1ncc[nH]1 ZINC000353516265 538746826 /nfs/dbraw/zinc/74/68/26/538746826.db2.gz GKCJNZOPIPWLOH-STQMWFEESA-N 0 3 249.402 3.809 20 0 BHADHN CC[C@H](CSC)N(C)Cc1ccsc1C ZINC000353520938 387221809 /nfs/dbraw/zinc/22/18/09/387221809.db2.gz QAVNCWHCSIPGGL-GFCCVEGCSA-N 0 3 243.441 3.630 20 0 BHADHN CC[C@@H](CSC)N(C)Cc1ccsc1C ZINC000353520939 387221221 /nfs/dbraw/zinc/22/12/21/387221221.db2.gz QAVNCWHCSIPGGL-LBPRGKRZSA-N 0 3 243.441 3.630 20 0 BHADHN C[C@H](CF)NC1CC(c2ccccc2Cl)C1 ZINC000353530940 387223733 /nfs/dbraw/zinc/22/37/33/387223733.db2.gz NKZHUUDOVKPWQO-KPPDAEKUSA-N 0 3 241.737 3.534 20 0 BHADHN C[C@@H](CF)NC1CC(c2ccccc2Cl)C1 ZINC000353530952 387223326 /nfs/dbraw/zinc/22/33/26/387223326.db2.gz NKZHUUDOVKPWQO-WHXUTIOJSA-N 0 3 241.737 3.534 20 0 BHADHN CC(C)CC1(CN[C@H](C)c2ncc[nH]2)CCCC1 ZINC000353541915 538748436 /nfs/dbraw/zinc/74/84/36/538748436.db2.gz KCSKCYFZUXTVEW-CYBMUJFWSA-N 0 3 249.402 3.667 20 0 BHADHN CC(C)CC1(CN[C@@H](C)c2ncc[nH]2)CCCC1 ZINC000353541916 538748917 /nfs/dbraw/zinc/74/89/17/538748917.db2.gz KCSKCYFZUXTVEW-ZDUSSCGKSA-N 0 3 249.402 3.667 20 0 BHADHN Cc1noc(C)c1C(C)(C)NCCC(C)(C)C ZINC000353544037 386784472 /nfs/dbraw/zinc/78/44/72/386784472.db2.gz ABDOWAOCIVYFHJ-UHFFFAOYSA-N 0 3 238.375 3.552 20 0 BHADHN Cc1sccc1CN1CCCc2occc2C1 ZINC000353548929 387228295 /nfs/dbraw/zinc/22/82/95/387228295.db2.gz IBVBTVSWEWARPY-UHFFFAOYSA-N 0 3 247.363 3.598 20 0 BHADHN Cc1sccc1CN1CC(C)(C)[C@H]1C1CC1 ZINC000353554218 387228585 /nfs/dbraw/zinc/22/85/85/387228585.db2.gz IVELWJNJGDJXMH-CYBMUJFWSA-N 0 3 235.396 3.677 20 0 BHADHN Cc1sccc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000353554219 387227667 /nfs/dbraw/zinc/22/76/67/387227667.db2.gz IVELWJNJGDJXMH-ZDUSSCGKSA-N 0 3 235.396 3.677 20 0 BHADHN CCN(Cc1ccc([C@@H]2C[C@H]2C)o1)CC1CC1 ZINC000353554394 356713323 /nfs/dbraw/zinc/71/33/23/356713323.db2.gz KCNFJMAGGPLZFC-BXUZGUMPSA-N 0 3 233.355 3.635 20 0 BHADHN CCN(Cc1ccc([C@H]2C[C@@H]2C)o1)CC1CC1 ZINC000353554395 356712998 /nfs/dbraw/zinc/71/29/98/356712998.db2.gz KCNFJMAGGPLZFC-FZMZJTMJSA-N 0 3 233.355 3.635 20 0 BHADHN CCN(Cc1ccc([C@H]2C[C@H]2C)o1)CC1CC1 ZINC000353554396 356713975 /nfs/dbraw/zinc/71/39/75/356713975.db2.gz KCNFJMAGGPLZFC-RISCZKNCSA-N 0 3 233.355 3.635 20 0 BHADHN CCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)CC1CC1 ZINC000353554397 356714042 /nfs/dbraw/zinc/71/40/42/356714042.db2.gz KCNFJMAGGPLZFC-SMDDNHRTSA-N 0 3 233.355 3.635 20 0 BHADHN Cc1sccc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000353558838 387230293 /nfs/dbraw/zinc/23/02/93/387230293.db2.gz YFPWBXSHNXRCLC-AWEZNQCLSA-N 0 3 247.407 3.821 20 0 BHADHN Cc1sccc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000353558841 387229758 /nfs/dbraw/zinc/22/97/58/387229758.db2.gz YFPWBXSHNXRCLC-CQSZACIVSA-N 0 3 247.407 3.821 20 0 BHADHN c1coc(CN2CCCC3(CCCCC3)C2)c1 ZINC000353564016 387231152 /nfs/dbraw/zinc/23/11/52/387231152.db2.gz NVTAJKZGDGFNLK-UHFFFAOYSA-N 0 3 233.355 3.826 20 0 BHADHN c1cncc(CN2CCCC3(CCCCC3)C2)c1 ZINC000353568292 385946791 /nfs/dbraw/zinc/94/67/91/385946791.db2.gz TWCRFUCACWVBNR-UHFFFAOYSA-N 0 3 244.382 3.628 20 0 BHADHN CC1(C)CCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000353593122 356714769 /nfs/dbraw/zinc/71/47/69/356714769.db2.gz WVNRKXSTVFRQCP-UHFFFAOYSA-N 0 3 247.313 3.804 20 0 BHADHN C[C@H]1CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000353593141 177110251 /nfs/dbraw/zinc/11/02/51/177110251.db2.gz XHTZERJIQXJUBH-JTQLQIEISA-N 0 3 243.272 3.690 20 0 BHADHN C[C@@H]1CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000353593142 176110901 /nfs/dbraw/zinc/11/09/01/176110901.db2.gz XHTZERJIQXJUBH-SNVBAGLBSA-N 0 3 243.272 3.690 20 0 BHADHN Cc1cc([C@@H](C)NC(C2CCC2)C2CCC2)no1 ZINC000353598344 178223175 /nfs/dbraw/zinc/22/31/75/178223175.db2.gz SWNDVOZMPXYEAF-LLVKDONJSA-N 0 3 248.370 3.602 20 0 BHADHN Cc1cc([C@H](C)NC(C2CCC2)C2CCC2)no1 ZINC000353598345 178245144 /nfs/dbraw/zinc/24/51/44/178245144.db2.gz SWNDVOZMPXYEAF-NSHDSACASA-N 0 3 248.370 3.602 20 0 BHADHN CSc1ccc(CN2CCC(C)(C)C2)cc1 ZINC000353607856 188061741 /nfs/dbraw/zinc/06/17/41/188061741.db2.gz BRDNKCVDJQZIJS-UHFFFAOYSA-N 0 3 235.396 3.640 20 0 BHADHN CC(C)CCn1cccc1CN1CCC[C@@H]1C ZINC000353608439 352530914 /nfs/dbraw/zinc/53/09/14/352530914.db2.gz HRXBPQRCYZGKFR-AWEZNQCLSA-N 0 3 234.387 3.519 20 0 BHADHN CC(C)CCn1cccc1CN1CCC[C@H]1C ZINC000353608440 352531502 /nfs/dbraw/zinc/53/15/02/352531502.db2.gz HRXBPQRCYZGKFR-CQSZACIVSA-N 0 3 234.387 3.519 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN2CCC(C)(C)C2)o1 ZINC000353612726 177351470 /nfs/dbraw/zinc/35/14/70/177351470.db2.gz KKSUTRGJLYQSGP-AAEUAGOBSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CCC(C)(C)C2)o1 ZINC000353612728 387241798 /nfs/dbraw/zinc/24/17/98/387241798.db2.gz KKSUTRGJLYQSGP-DGCLKSJQSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN2CCC(C)(C)C2)o1 ZINC000353612729 188234744 /nfs/dbraw/zinc/23/47/44/188234744.db2.gz KKSUTRGJLYQSGP-WCQYABFASA-N 0 3 233.355 3.635 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(C)(C)C2)o1 ZINC000353612731 387240784 /nfs/dbraw/zinc/24/07/84/387240784.db2.gz KKSUTRGJLYQSGP-YPMHNXCESA-N 0 3 233.355 3.635 20 0 BHADHN Cc1ccncc1CN(C)CC1CCC(C)CC1 ZINC000353618868 188234973 /nfs/dbraw/zinc/23/49/73/188234973.db2.gz CAIVNSVMQBNFKX-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN c1coc(CN2CCC[C@H](c3ccccc3)C2)c1 ZINC000353641522 387244608 /nfs/dbraw/zinc/24/46/08/387244608.db2.gz FMVASTMDBABOEP-HNNXBMFYSA-N 0 3 241.334 3.659 20 0 BHADHN c1coc(CN2CCC[C@@H](c3ccccc3)C2)c1 ZINC000353641523 387244682 /nfs/dbraw/zinc/24/46/82/387244682.db2.gz FMVASTMDBABOEP-OAHLLOKOSA-N 0 3 241.334 3.659 20 0 BHADHN Cc1oc2ccccc2c1CN1CCC12CCC2 ZINC000353646970 387247683 /nfs/dbraw/zinc/24/76/83/387247683.db2.gz KKDGHULTJTVKHK-UHFFFAOYSA-N 0 3 241.334 3.870 20 0 BHADHN CC(C)Oc1cccc(CN2CCC23CCC3)c1 ZINC000353647225 167304545 /nfs/dbraw/zinc/30/45/45/167304545.db2.gz GNSGNMVHJLZQOS-UHFFFAOYSA-N 0 3 245.366 3.602 20 0 BHADHN Cc1ccncc1CN1CCC2(CCCC2)CC1 ZINC000353651168 387249941 /nfs/dbraw/zinc/24/99/41/387249941.db2.gz BTMHQFSUZVNMEM-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN c1c2ccccc2oc1CN1CCC12CCC2 ZINC000353651610 387251347 /nfs/dbraw/zinc/25/13/47/387251347.db2.gz HALLIUSFFDKQND-UHFFFAOYSA-N 0 3 227.307 3.561 20 0 BHADHN CCC[C@@]1(C)CCCN(Cc2cnccc2C)C1 ZINC000353653165 387250631 /nfs/dbraw/zinc/25/06/31/387250631.db2.gz SZGHMRTZZUXBOP-INIZCTEOSA-N 0 3 246.398 3.792 20 0 BHADHN CCC[C@]1(C)CCCN(Cc2cnccc2C)C1 ZINC000353653166 387251151 /nfs/dbraw/zinc/25/11/51/387251151.db2.gz SZGHMRTZZUXBOP-MRXNPFEDSA-N 0 3 246.398 3.792 20 0 BHADHN CSc1ccc(CN2CCC23CCC3)cc1 ZINC000353659645 387251566 /nfs/dbraw/zinc/25/15/66/387251566.db2.gz ZPZWTAOSNDFKRB-UHFFFAOYSA-N 0 3 233.380 3.537 20 0 BHADHN Fc1ccc2oc(CN3CCC34CCC4)cc2c1 ZINC000353663639 387252816 /nfs/dbraw/zinc/25/28/16/387252816.db2.gz DSNTYXRUYYJRMI-UHFFFAOYSA-N 0 3 245.297 3.700 20 0 BHADHN C[C@@H]1Cc2ccccc2CN1Cc1cccs1 ZINC000353664208 387252678 /nfs/dbraw/zinc/25/26/78/387252678.db2.gz GGZRFYLOIAOZFC-GFCCVEGCSA-N 0 3 243.375 3.695 20 0 BHADHN C[C@H]1Cc2ccccc2CN1Cc1cccs1 ZINC000353664210 177390016 /nfs/dbraw/zinc/39/00/16/177390016.db2.gz GGZRFYLOIAOZFC-LBPRGKRZSA-N 0 3 243.375 3.695 20 0 BHADHN C[C@@H]1Cc2ccccc2CN1Cc1ccsc1 ZINC000353669840 387256722 /nfs/dbraw/zinc/25/67/22/387256722.db2.gz JJFAOVYGBVRNFP-GFCCVEGCSA-N 0 3 243.375 3.695 20 0 BHADHN C[C@H]1Cc2ccccc2CN1Cc1ccsc1 ZINC000353669841 177389874 /nfs/dbraw/zinc/38/98/74/177389874.db2.gz JJFAOVYGBVRNFP-LBPRGKRZSA-N 0 3 243.375 3.695 20 0 BHADHN Clc1ccc(CN2CCC3(CCC3)C2)cc1 ZINC000353671015 387256240 /nfs/dbraw/zinc/25/62/40/387256240.db2.gz JDRROHPZXCLPAB-UHFFFAOYSA-N 0 3 235.758 3.716 20 0 BHADHN Clc1ccccc1CN1CCC2(CCC2)C1 ZINC000353671468 387253835 /nfs/dbraw/zinc/25/38/35/387253835.db2.gz KOQUSBHOWGVOFV-UHFFFAOYSA-N 0 3 235.758 3.716 20 0 BHADHN CC(C)CCn1cccc1CN1CCC12CCC2 ZINC000353671503 387255296 /nfs/dbraw/zinc/25/52/96/387255296.db2.gz NTLOUAANUYHBBV-UHFFFAOYSA-N 0 3 246.398 3.663 20 0 BHADHN Cc1ccc(CN2CCC3(CCC3)C2)cc1F ZINC000353672283 387254874 /nfs/dbraw/zinc/25/48/74/387254874.db2.gz NKQSGJXVXRHQCU-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN Cc1ccoc1CN1Cc2ccccc2C[C@H]1C ZINC000353673727 387255683 /nfs/dbraw/zinc/25/56/83/387255683.db2.gz SJZNOBWJVRVBES-CYBMUJFWSA-N 0 3 241.334 3.535 20 0 BHADHN Cc1ccoc1CN1Cc2ccccc2C[C@@H]1C ZINC000353673728 387256458 /nfs/dbraw/zinc/25/64/58/387256458.db2.gz SJZNOBWJVRVBES-ZDUSSCGKSA-N 0 3 241.334 3.535 20 0 BHADHN c1oc2ccccc2c1CN1CCC12CCC2 ZINC000353677053 387255593 /nfs/dbraw/zinc/25/55/93/387255593.db2.gz YFOIONDEYAJMGT-UHFFFAOYSA-N 0 3 227.307 3.561 20 0 BHADHN C[C@@H](NCC(C)(C)C1=CCCCC1)c1ncc[nH]1 ZINC000353677088 538754339 /nfs/dbraw/zinc/75/43/39/538754339.db2.gz YMQDTVZOKBEIEV-GFCCVEGCSA-N 0 3 247.386 3.587 20 0 BHADHN C[C@H](NCC(C)(C)C1=CCCCC1)c1ncc[nH]1 ZINC000353677089 538755525 /nfs/dbraw/zinc/75/55/25/538755525.db2.gz YMQDTVZOKBEIEV-LBPRGKRZSA-N 0 3 247.386 3.587 20 0 BHADHN Cc1ccc(F)c(CN2CCC3(CCC3)C2)c1 ZINC000353678954 387257380 /nfs/dbraw/zinc/25/73/80/387257380.db2.gz FGNPLMZKMASPBK-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN C[C@H](CCN[C@@H](C)c1ncc[nH]1)CC(C)(C)C ZINC000353679962 538756969 /nfs/dbraw/zinc/75/69/69/538756969.db2.gz IIAMPCVXJSEBHF-NEPJUHHUSA-N 0 3 237.391 3.523 20 0 BHADHN C[C@@H](CCN[C@H](C)c1ncc[nH]1)CC(C)(C)C ZINC000353679963 538757399 /nfs/dbraw/zinc/75/73/99/538757399.db2.gz IIAMPCVXJSEBHF-NWDGAFQWSA-N 0 3 237.391 3.523 20 0 BHADHN C[C@@H](CCN[C@@H](C)c1ncc[nH]1)CC(C)(C)C ZINC000353679965 538756721 /nfs/dbraw/zinc/75/67/21/538756721.db2.gz IIAMPCVXJSEBHF-RYUDHWBXSA-N 0 3 237.391 3.523 20 0 BHADHN C[C@@H](NCC[C@@H](C)CC(C)(C)C)c1ncc[nH]1 ZINC000353679966 538757280 /nfs/dbraw/zinc/75/72/80/538757280.db2.gz IIAMPCVXJSEBHF-VXGBXAGGSA-N 0 3 237.391 3.523 20 0 BHADHN Clc1cccc(CN2CCC3(CCC3)C2)c1 ZINC000353681930 387255475 /nfs/dbraw/zinc/25/54/75/387255475.db2.gz MVJGNBORRASTBZ-UHFFFAOYSA-N 0 3 235.758 3.716 20 0 BHADHN C[C@@H](NC1CCC2(CCCC2)CC1)c1ccon1 ZINC000353683276 387258502 /nfs/dbraw/zinc/25/85/02/387258502.db2.gz ZBUJZKRBWIZPAA-GFCCVEGCSA-N 0 3 248.370 3.828 20 0 BHADHN C[C@H](NC1CCC2(CCCC2)CC1)c1ccon1 ZINC000353683277 387258799 /nfs/dbraw/zinc/25/87/99/387258799.db2.gz ZBUJZKRBWIZPAA-LBPRGKRZSA-N 0 3 248.370 3.828 20 0 BHADHN CSc1ccc(CN2CCC3(CCC3)C2)cc1 ZINC000353690857 188062060 /nfs/dbraw/zinc/06/20/60/188062060.db2.gz SFEIOCAQEDFXBW-UHFFFAOYSA-N 0 3 247.407 3.785 20 0 BHADHN CCC1(CC)CCC(N[C@H](C)c2ncc[nH]2)CC1 ZINC000353691116 538765382 /nfs/dbraw/zinc/76/53/82/538765382.db2.gz SSVHPEANNPXDEE-GFCCVEGCSA-N 0 3 249.402 3.809 20 0 BHADHN CCC1(CC)CCC(N[C@@H](C)c2ncc[nH]2)CC1 ZINC000353691119 538766352 /nfs/dbraw/zinc/76/63/52/538766352.db2.gz SSVHPEANNPXDEE-LBPRGKRZSA-N 0 3 249.402 3.809 20 0 BHADHN CC[C@@]1(C)CCCN(Cc2ccc(C)o2)C1 ZINC000353691834 171199901 /nfs/dbraw/zinc/19/99/01/171199901.db2.gz UTFKCOKXPOAKEB-AWEZNQCLSA-N 0 3 221.344 3.600 20 0 BHADHN CC[C@]1(C)CCCN(Cc2ccc(C)o2)C1 ZINC000353691835 387259333 /nfs/dbraw/zinc/25/93/33/387259333.db2.gz UTFKCOKXPOAKEB-CQSZACIVSA-N 0 3 221.344 3.600 20 0 BHADHN Cc1cc(CN2CCC3(CCC3)C2)ccc1F ZINC000353701841 387261631 /nfs/dbraw/zinc/26/16/31/387261631.db2.gz HQMXRYFPIZNGSB-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN CC[C@@]1(C)CCCN(Cc2occc2C)C1 ZINC000353702442 171199734 /nfs/dbraw/zinc/19/97/34/171199734.db2.gz JAZFXBCRYXUXPV-AWEZNQCLSA-N 0 3 221.344 3.600 20 0 BHADHN CC[C@]1(C)CCCN(Cc2occc2C)C1 ZINC000353702443 387261367 /nfs/dbraw/zinc/26/13/67/387261367.db2.gz JAZFXBCRYXUXPV-CQSZACIVSA-N 0 3 221.344 3.600 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN2CCC3(CCC3)C2)o1 ZINC000353710877 187208913 /nfs/dbraw/zinc/20/89/13/187208913.db2.gz ICUNYWWTZWOLCU-GXTWGEPZSA-N 0 3 245.366 3.779 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN2CCC3(CCC3)C2)o1 ZINC000353710879 177351218 /nfs/dbraw/zinc/35/12/18/177351218.db2.gz ICUNYWWTZWOLCU-JSGCOSHPSA-N 0 3 245.366 3.779 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCC3(CCC3)C2)o1 ZINC000353710881 387262889 /nfs/dbraw/zinc/26/28/89/387262889.db2.gz ICUNYWWTZWOLCU-OCCSQVGLSA-N 0 3 245.366 3.779 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CCC3(CCC3)C2)o1 ZINC000353710883 387264035 /nfs/dbraw/zinc/26/40/35/387264035.db2.gz ICUNYWWTZWOLCU-TZMCWYRMSA-N 0 3 245.366 3.779 20 0 BHADHN CC1(C)CN(CC2(C)CCC2)[C@H]1c1ccncc1 ZINC000353712274 168023896 /nfs/dbraw/zinc/02/38/96/168023896.db2.gz ITWJZFBLILFBMG-AWEZNQCLSA-N 0 3 244.382 3.655 20 0 BHADHN CC1(C)CN(CC2(C)CCC2)[C@@H]1c1ccncc1 ZINC000353712275 168023969 /nfs/dbraw/zinc/02/39/69/168023969.db2.gz ITWJZFBLILFBMG-CQSZACIVSA-N 0 3 244.382 3.655 20 0 BHADHN Cc1cc(F)ccc1CN1CCC2(CCC2)C1 ZINC000353721601 386551047 /nfs/dbraw/zinc/55/10/47/386551047.db2.gz QXLQTWYZGXKSAE-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN Cc1cccc(CN(C)CC2CCCCCC2)n1 ZINC000353744571 386721998 /nfs/dbraw/zinc/72/19/98/386721998.db2.gz FTFZIQNAZOJAAS-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CCc1ccc(CN2CC(C)(C)[C@@H]2C(C)C)cn1 ZINC000353746066 387268148 /nfs/dbraw/zinc/26/81/48/387268148.db2.gz KRSHFIFRFSEAAP-HNNXBMFYSA-N 0 3 246.398 3.510 20 0 BHADHN CCc1ccc(CN2CC(C)(C)[C@H]2C(C)C)cn1 ZINC000353746067 387268285 /nfs/dbraw/zinc/26/82/85/387268285.db2.gz KRSHFIFRFSEAAP-OAHLLOKOSA-N 0 3 246.398 3.510 20 0 BHADHN Cc1cccc(CN(C)CC2CCC(C)CC2)n1 ZINC000353747588 179064129 /nfs/dbraw/zinc/06/41/29/179064129.db2.gz OUGVPSQCNNOQSN-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CC(C)[C@H]1N(Cc2ccsc2)CC1(C)C ZINC000353751002 387269193 /nfs/dbraw/zinc/26/91/93/387269193.db2.gz ZMHIPIXHNYODMZ-GFCCVEGCSA-N 0 3 223.385 3.615 20 0 BHADHN CC(C)[C@@H]1N(Cc2ccsc2)CC1(C)C ZINC000353751004 387269557 /nfs/dbraw/zinc/26/95/57/387269557.db2.gz ZMHIPIXHNYODMZ-LBPRGKRZSA-N 0 3 223.385 3.615 20 0 BHADHN CC(C)N(Cc1ccccc1F)C1CCC1 ZINC000353773156 188234487 /nfs/dbraw/zinc/23/44/87/188234487.db2.gz AKNUKFMVIJGJBK-UHFFFAOYSA-N 0 3 221.319 3.589 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@H]1C)c1cc(F)ccc1F ZINC000353773816 387271948 /nfs/dbraw/zinc/27/19/48/387271948.db2.gz DXXLWYXDKBTNEE-BIGNPOOSSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](N[C@H]1CC[C@@H]1C)c1cc(F)ccc1F ZINC000353773817 387271921 /nfs/dbraw/zinc/27/19/21/387271921.db2.gz DXXLWYXDKBTNEE-HERUPUMHSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](N[C@H]1CC[C@H]1C)c1cc(F)ccc1F ZINC000353773818 387272507 /nfs/dbraw/zinc/27/25/07/387272507.db2.gz DXXLWYXDKBTNEE-IIMNLJJBSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@@H]1C)c1cc(F)ccc1F ZINC000353773819 387271693 /nfs/dbraw/zinc/27/16/93/387271693.db2.gz DXXLWYXDKBTNEE-QCZZGDTMSA-N 0 3 239.309 3.804 20 0 BHADHN CC(C)N(Cc1cc(F)ccc1F)C1CCC1 ZINC000353783451 353363521 /nfs/dbraw/zinc/36/35/21/353363521.db2.gz XDGWLRDUMRKIOP-UHFFFAOYSA-N 0 3 239.309 3.728 20 0 BHADHN CC(C)N(Cc1cccc(F)c1F)C1CCC1 ZINC000353796669 387276353 /nfs/dbraw/zinc/27/63/53/387276353.db2.gz OXMYYLXDCSDGGA-UHFFFAOYSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1nccs1 ZINC000353799678 387278219 /nfs/dbraw/zinc/27/82/19/387278219.db2.gz BKVYREXLDITDMP-NEPJUHHUSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@H](C)[C@H]1CCCCN1Cc1nccs1 ZINC000353799679 387276527 /nfs/dbraw/zinc/27/65/27/387276527.db2.gz BKVYREXLDITDMP-NWDGAFQWSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@H](C)[C@@H]1CCCCN1Cc1nccs1 ZINC000353799680 171381581 /nfs/dbraw/zinc/38/15/81/171381581.db2.gz BKVYREXLDITDMP-RYUDHWBXSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@@H](C)[C@H]1CCCCN1Cc1nccs1 ZINC000353799681 387276296 /nfs/dbraw/zinc/27/62/96/387276296.db2.gz BKVYREXLDITDMP-VXGBXAGGSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@H]1C)c1ccc(F)cc1F ZINC000353813734 387280488 /nfs/dbraw/zinc/28/04/88/387280488.db2.gz ZEOKHCFYXNTBSU-BIGNPOOSSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](N[C@H]1CC[C@@H]1C)c1ccc(F)cc1F ZINC000353813736 387279519 /nfs/dbraw/zinc/27/95/19/387279519.db2.gz ZEOKHCFYXNTBSU-HERUPUMHSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](N[C@H]1CC[C@H]1C)c1ccc(F)cc1F ZINC000353813738 387280808 /nfs/dbraw/zinc/28/08/08/387280808.db2.gz ZEOKHCFYXNTBSU-IIMNLJJBSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](N[C@@H]1CC[C@@H]1C)c1ccc(F)cc1F ZINC000353813739 171542437 /nfs/dbraw/zinc/54/24/37/171542437.db2.gz ZEOKHCFYXNTBSU-QCZZGDTMSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H](C)[C@@H]1CCCCN1Cc1cscn1 ZINC000353817091 171381846 /nfs/dbraw/zinc/38/18/46/171381846.db2.gz GDXFOOWAENLCAY-AAEUAGOBSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@@H](C)[C@H]1CCCCN1Cc1cscn1 ZINC000353817095 387280830 /nfs/dbraw/zinc/28/08/30/387280830.db2.gz GDXFOOWAENLCAY-DGCLKSJQSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@H](C)[C@H]1CCCCN1Cc1cscn1 ZINC000353817097 387280056 /nfs/dbraw/zinc/28/00/56/387280056.db2.gz GDXFOOWAENLCAY-WCQYABFASA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cscn1 ZINC000353817100 387279848 /nfs/dbraw/zinc/27/98/48/387279848.db2.gz GDXFOOWAENLCAY-YPMHNXCESA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)N(Cc1ccc(F)cc1F)C1CCC1 ZINC000353817248 188061943 /nfs/dbraw/zinc/06/19/43/188061943.db2.gz SWZDPLIHNCXOIA-UHFFFAOYSA-N 0 3 239.309 3.728 20 0 BHADHN CCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CCC1 ZINC000353817817 356721369 /nfs/dbraw/zinc/72/13/69/356721369.db2.gz GLHIOIIWPBHKQY-BXUZGUMPSA-N 0 3 233.355 3.777 20 0 BHADHN CCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CCC1 ZINC000353817818 356721789 /nfs/dbraw/zinc/72/17/89/356721789.db2.gz GLHIOIIWPBHKQY-FZMZJTMJSA-N 0 3 233.355 3.777 20 0 BHADHN CCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CCC1 ZINC000353817819 356721446 /nfs/dbraw/zinc/72/14/46/356721446.db2.gz GLHIOIIWPBHKQY-RISCZKNCSA-N 0 3 233.355 3.777 20 0 BHADHN CCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CCC1 ZINC000353817820 356721164 /nfs/dbraw/zinc/72/11/64/356721164.db2.gz GLHIOIIWPBHKQY-SMDDNHRTSA-N 0 3 233.355 3.777 20 0 BHADHN CCN(Cc1cnc(C(C)C)s1)C1CCC1 ZINC000353826357 353824836 /nfs/dbraw/zinc/82/48/36/353824836.db2.gz ZABYFMKXJKXEQK-UHFFFAOYSA-N 0 3 238.400 3.641 20 0 BHADHN CCN(Cc1cc(C)ccc1F)C1CCC1 ZINC000353826760 356721250 /nfs/dbraw/zinc/72/12/50/356721250.db2.gz ZRDIMORXYBNUEJ-UHFFFAOYSA-N 0 3 221.319 3.509 20 0 BHADHN CC[C@H](C)[C@@H]1CCCCN1Cc1cncs1 ZINC000353832344 171381761 /nfs/dbraw/zinc/38/17/61/171381761.db2.gz XJDPUJIVISZRST-AAEUAGOBSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@@H](C)[C@H]1CCCCN1Cc1cncs1 ZINC000353832346 387282977 /nfs/dbraw/zinc/28/29/77/387282977.db2.gz XJDPUJIVISZRST-DGCLKSJQSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@H](C)[C@H]1CCCCN1Cc1cncs1 ZINC000353832348 387282785 /nfs/dbraw/zinc/28/27/85/387282785.db2.gz XJDPUJIVISZRST-WCQYABFASA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cncs1 ZINC000353832350 387281678 /nfs/dbraw/zinc/28/16/78/387281678.db2.gz XJDPUJIVISZRST-YPMHNXCESA-N 0 3 238.400 3.544 20 0 BHADHN Cc1ncccc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000353842197 353996548 /nfs/dbraw/zinc/99/65/48/353996548.db2.gz FZAHBBQIWSSDIW-GOEBONIOSA-N 0 3 244.382 3.545 20 0 BHADHN Cc1ncccc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000353842200 353997276 /nfs/dbraw/zinc/99/72/76/353997276.db2.gz FZAHBBQIWSSDIW-HOCLYGCPSA-N 0 3 244.382 3.545 20 0 BHADHN Cc1ncccc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000353842202 353997189 /nfs/dbraw/zinc/99/71/89/353997189.db2.gz FZAHBBQIWSSDIW-ZBFHGGJFSA-N 0 3 244.382 3.545 20 0 BHADHN C[C@@H]1CC[C@@H](C)N(Cc2cc(F)cc(F)c2)C1 ZINC000353849686 354185311 /nfs/dbraw/zinc/18/53/11/354185311.db2.gz YNKXSJXPQXXYCN-GHMZBOCLSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@H](C)N(Cc2cc(F)cc(F)c2)C1 ZINC000353849687 354185806 /nfs/dbraw/zinc/18/58/06/354185806.db2.gz YNKXSJXPQXXYCN-MNOVXSKESA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CC[C@H](C)N(Cc2cc(F)cc(F)c2)C1 ZINC000353849688 354185343 /nfs/dbraw/zinc/18/53/43/354185343.db2.gz YNKXSJXPQXXYCN-QWRGUYRKSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@H](C)CN1Cc1cc(F)cc(F)c1 ZINC000353849689 354185413 /nfs/dbraw/zinc/18/54/13/354185413.db2.gz YNKXSJXPQXXYCN-WDEREUQCSA-N 0 3 239.309 3.585 20 0 BHADHN CC1=CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000353853905 168115093 /nfs/dbraw/zinc/11/50/93/168115093.db2.gz HFGKZCSPWQOABM-UHFFFAOYSA-N 0 3 245.297 3.724 20 0 BHADHN C[C@@H]1CC[C@@H](C)N(Cc2cccc(F)c2F)C1 ZINC000353854360 176197551 /nfs/dbraw/zinc/19/75/51/176197551.db2.gz JQSOIISVHSRXBH-GHMZBOCLSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@H](C)N(Cc2cccc(F)c2F)C1 ZINC000353854361 177184254 /nfs/dbraw/zinc/18/42/54/177184254.db2.gz JQSOIISVHSRXBH-MNOVXSKESA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CC[C@H](C)N(Cc2cccc(F)c2F)C1 ZINC000353854362 177197961 /nfs/dbraw/zinc/19/79/61/177197961.db2.gz JQSOIISVHSRXBH-QWRGUYRKSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@H](C)CN1Cc1cccc(F)c1F ZINC000353854363 177185137 /nfs/dbraw/zinc/18/51/37/177185137.db2.gz JQSOIISVHSRXBH-WDEREUQCSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@@H](C)N(Cc2ccc(F)c(F)c2)C1 ZINC000353857880 176197246 /nfs/dbraw/zinc/19/72/46/176197246.db2.gz SXCVGFBPLPCGAF-GHMZBOCLSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@H](C)N(Cc2ccc(F)c(F)c2)C1 ZINC000353857881 177183125 /nfs/dbraw/zinc/18/31/25/177183125.db2.gz SXCVGFBPLPCGAF-MNOVXSKESA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CC[C@H](C)N(Cc2ccc(F)c(F)c2)C1 ZINC000353857882 177197840 /nfs/dbraw/zinc/19/78/40/177197840.db2.gz SXCVGFBPLPCGAF-QWRGUYRKSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@H](C)CN1Cc1ccc(F)c(F)c1 ZINC000353857883 177185259 /nfs/dbraw/zinc/18/52/59/177185259.db2.gz SXCVGFBPLPCGAF-WDEREUQCSA-N 0 3 239.309 3.585 20 0 BHADHN CCC[C@@]1(C)CCCN(Cc2ccco2)C1 ZINC000353862922 387286943 /nfs/dbraw/zinc/28/69/43/387286943.db2.gz FIKPFIJRWGQKAM-AWEZNQCLSA-N 0 3 221.344 3.682 20 0 BHADHN CCC[C@]1(C)CCCN(Cc2ccco2)C1 ZINC000353862923 387286955 /nfs/dbraw/zinc/28/69/55/387286955.db2.gz FIKPFIJRWGQKAM-CQSZACIVSA-N 0 3 221.344 3.682 20 0 BHADHN CC1=CCN(Cc2coc3ccccc23)CC1 ZINC000353872366 168116224 /nfs/dbraw/zinc/11/62/24/168116224.db2.gz VALYYXMDWKPKHU-UHFFFAOYSA-N 0 3 227.307 3.585 20 0 BHADHN Cc1oc2ccccc2c1CN1CC=C(C)CC1 ZINC000353877064 354800278 /nfs/dbraw/zinc/80/02/78/354800278.db2.gz BOJDCKBGCSCHAS-UHFFFAOYSA-N 0 3 241.334 3.893 20 0 BHADHN C[C@H]1CN(Cc2ccc(Cl)o2)C(C)(C)C1 ZINC000353885901 177262241 /nfs/dbraw/zinc/26/22/41/177262241.db2.gz UMSHEJFQUPLFPD-SECBINFHSA-N 0 3 227.735 3.553 20 0 BHADHN C[C@@H]1CN(Cc2ccc(Cl)o2)C(C)(C)C1 ZINC000353885902 176303125 /nfs/dbraw/zinc/30/31/25/176303125.db2.gz UMSHEJFQUPLFPD-VIFPVBQESA-N 0 3 227.735 3.553 20 0 BHADHN Cc1ccc(CN2CCC[C@@]3(CC=CCC3)C2)o1 ZINC000353901010 387293999 /nfs/dbraw/zinc/29/39/99/387293999.db2.gz PBXONUYMDYMMNY-INIZCTEOSA-N 0 3 245.366 3.910 20 0 BHADHN Cc1ccc(CN2CCC[C@]3(CC=CCC3)C2)o1 ZINC000353901012 387294039 /nfs/dbraw/zinc/29/40/39/387294039.db2.gz PBXONUYMDYMMNY-MRXNPFEDSA-N 0 3 245.366 3.910 20 0 BHADHN CCC[C@@]1(C)CCCN(Cc2ccc(C)cn2)C1 ZINC000353907159 387294546 /nfs/dbraw/zinc/29/45/46/387294546.db2.gz CCINTDLOXJEOCF-INIZCTEOSA-N 0 3 246.398 3.792 20 0 BHADHN CCC[C@]1(C)CCCN(Cc2ccc(C)cn2)C1 ZINC000353907161 387293943 /nfs/dbraw/zinc/29/39/43/387293943.db2.gz CCINTDLOXJEOCF-MRXNPFEDSA-N 0 3 246.398 3.792 20 0 BHADHN CCC[C@@]1(C)CCCN(Cc2cccnc2C)C1 ZINC000353910159 387297519 /nfs/dbraw/zinc/29/75/19/387297519.db2.gz FOKHEIVZANCKFN-INIZCTEOSA-N 0 3 246.398 3.792 20 0 BHADHN CCC[C@]1(C)CCCN(Cc2cccnc2C)C1 ZINC000353910163 387297061 /nfs/dbraw/zinc/29/70/61/387297061.db2.gz FOKHEIVZANCKFN-MRXNPFEDSA-N 0 3 246.398 3.792 20 0 BHADHN C[C@@H]1CC[C@@H](C)N(Cc2ccc(F)cc2F)C1 ZINC000353924240 176197660 /nfs/dbraw/zinc/19/76/60/176197660.db2.gz PVHVQAPKZSSCRJ-GHMZBOCLSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@H](C)N(Cc2ccc(F)cc2F)C1 ZINC000353924246 177183214 /nfs/dbraw/zinc/18/32/14/177183214.db2.gz PVHVQAPKZSSCRJ-MNOVXSKESA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CC[C@H](C)N(Cc2ccc(F)cc2F)C1 ZINC000353924253 177198129 /nfs/dbraw/zinc/19/81/29/177198129.db2.gz PVHVQAPKZSSCRJ-QWRGUYRKSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@H](C)CN1Cc1ccc(F)cc1F ZINC000353924262 177184615 /nfs/dbraw/zinc/18/46/15/177184615.db2.gz PVHVQAPKZSSCRJ-WDEREUQCSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)n1nccc1CNCCCC1CCCC1 ZINC000353930667 384547893 /nfs/dbraw/zinc/54/78/93/384547893.db2.gz HIBIPAACLGZGDQ-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN C[C@@H](NCC1(C(F)(F)F)CCC1)c1ccco1 ZINC000353949245 387303196 /nfs/dbraw/zinc/30/31/96/387303196.db2.gz AQRWWOCNRLIKBA-SECBINFHSA-N 0 3 247.260 3.663 20 0 BHADHN C[C@H](NCC1(C(F)(F)F)CCC1)c1ccco1 ZINC000353949246 387303379 /nfs/dbraw/zinc/30/33/79/387303379.db2.gz AQRWWOCNRLIKBA-VIFPVBQESA-N 0 3 247.260 3.663 20 0 BHADHN Cc1ccc([C@@H](C)NCC2(C(F)(F)F)CC2)o1 ZINC000353969487 355653127 /nfs/dbraw/zinc/65/31/27/355653127.db2.gz APBZDRDIPWNIFX-SECBINFHSA-N 0 3 247.260 3.581 20 0 BHADHN Cc1ccc([C@H](C)NCC2(C(F)(F)F)CC2)o1 ZINC000353969488 355652911 /nfs/dbraw/zinc/65/29/11/355652911.db2.gz APBZDRDIPWNIFX-VIFPVBQESA-N 0 3 247.260 3.581 20 0 BHADHN c1cc(CN2CC[C@H]2Cc2ccccc2)cs1 ZINC000353970172 387303677 /nfs/dbraw/zinc/30/36/77/387303677.db2.gz CGNFSSQOPBPLFR-HNNXBMFYSA-N 0 3 243.375 3.565 20 0 BHADHN c1cc(CN2CC[C@@H]2Cc2ccccc2)cs1 ZINC000353970173 387304073 /nfs/dbraw/zinc/30/40/73/387304073.db2.gz CGNFSSQOPBPLFR-OAHLLOKOSA-N 0 3 243.375 3.565 20 0 BHADHN Cc1ccc(CN2CCC[C@@H](CC(C)C)C2)nc1 ZINC000353974882 387305234 /nfs/dbraw/zinc/30/52/34/387305234.db2.gz TWBRYXYJOVUOPO-HNNXBMFYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN2CCC[C@H](CC(C)C)C2)nc1 ZINC000353974883 387304957 /nfs/dbraw/zinc/30/49/57/387304957.db2.gz TWBRYXYJOVUOPO-OAHLLOKOSA-N 0 3 246.398 3.648 20 0 BHADHN CC(C)C[C@H]1CCCN(Cc2ccco2)C1 ZINC000353977823 355715245 /nfs/dbraw/zinc/71/52/45/355715245.db2.gz JNIOQDSPNNNGDC-CYBMUJFWSA-N 0 3 221.344 3.538 20 0 BHADHN CC(C)C[C@@H]1CCCN(Cc2ccco2)C1 ZINC000353977824 355715142 /nfs/dbraw/zinc/71/51/42/355715142.db2.gz JNIOQDSPNNNGDC-ZDUSSCGKSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@H](c1cccnc1)N1CC[C@@H](C)C(C)(C)C1 ZINC000354016472 177045765 /nfs/dbraw/zinc/04/57/65/177045765.db2.gz ZVBMVCIPIQBAMY-CHWSQXEVSA-N 0 3 232.371 3.511 20 0 BHADHN C[C@@H](c1cccnc1)N1CC[C@@H](C)C(C)(C)C1 ZINC000354016473 176029855 /nfs/dbraw/zinc/02/98/55/176029855.db2.gz ZVBMVCIPIQBAMY-OLZOCXBDSA-N 0 3 232.371 3.511 20 0 BHADHN C[C@H](c1cccnc1)N1CC[C@H](C)C(C)(C)C1 ZINC000354016474 177169850 /nfs/dbraw/zinc/16/98/50/177169850.db2.gz ZVBMVCIPIQBAMY-QWHCGFSZSA-N 0 3 232.371 3.511 20 0 BHADHN C[C@@H](c1cccnc1)N1CC[C@H](C)C(C)(C)C1 ZINC000354016475 176030615 /nfs/dbraw/zinc/03/06/15/176030615.db2.gz ZVBMVCIPIQBAMY-STQMWFEESA-N 0 3 232.371 3.511 20 0 BHADHN Cc1cc(C)c(CN(C)Cc2ccc[nH]2)cc1C ZINC000354025711 387313787 /nfs/dbraw/zinc/31/37/87/387313787.db2.gz IETDFLAFFKMJJW-UHFFFAOYSA-N 0 3 242.366 3.572 20 0 BHADHN Cc1cc(C)c(CN(C)Cc2ccc[nH]2)c(C)c1 ZINC000354026265 387314128 /nfs/dbraw/zinc/31/41/28/387314128.db2.gz QEISMGNPFZNULV-UHFFFAOYSA-N 0 3 242.366 3.572 20 0 BHADHN C[C@H](c1ccccn1)N1CC[C@@H](C)C(C)(C)C1 ZINC000354042257 177043699 /nfs/dbraw/zinc/04/36/99/177043699.db2.gz MAYOBFYRJKHOTJ-CHWSQXEVSA-N 0 3 232.371 3.511 20 0 BHADHN C[C@@H](c1ccccn1)N1CC[C@@H](C)C(C)(C)C1 ZINC000354042258 176027448 /nfs/dbraw/zinc/02/74/48/176027448.db2.gz MAYOBFYRJKHOTJ-OLZOCXBDSA-N 0 3 232.371 3.511 20 0 BHADHN C[C@H](c1ccccn1)N1CC[C@H](C)C(C)(C)C1 ZINC000354042259 177170164 /nfs/dbraw/zinc/17/01/64/177170164.db2.gz MAYOBFYRJKHOTJ-QWHCGFSZSA-N 0 3 232.371 3.511 20 0 BHADHN C[C@@H](c1ccccn1)N1CC[C@H](C)C(C)(C)C1 ZINC000354042260 176027815 /nfs/dbraw/zinc/02/78/15/176027815.db2.gz MAYOBFYRJKHOTJ-STQMWFEESA-N 0 3 232.371 3.511 20 0 BHADHN CCC[C@@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000354111821 387332279 /nfs/dbraw/zinc/33/22/79/387332279.db2.gz VKVAQTCQSIFUQF-CYBMUJFWSA-N 0 3 221.344 3.600 20 0 BHADHN CCC[C@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000354111822 387331451 /nfs/dbraw/zinc/33/14/51/387331451.db2.gz VKVAQTCQSIFUQF-ZDUSSCGKSA-N 0 3 221.344 3.600 20 0 BHADHN CC[C@@]1(C)C[C@H]1C(=O)N1CCCC2(CCCC2)C1 ZINC000354213362 171207133 /nfs/dbraw/zinc/20/71/33/171207133.db2.gz XBKPGQWOMNSUOZ-ZFWWWQNUSA-N 0 3 249.398 3.605 20 0 BHADHN CCCC[C@H](C)N(CCCC)Cc1cncnc1 ZINC000354476433 356739531 /nfs/dbraw/zinc/73/95/31/356739531.db2.gz KKZBWRSTAIHMRB-AWEZNQCLSA-N 0 3 249.402 3.657 20 0 BHADHN CCCC[C@@H](C)N(CCCC)Cc1cncnc1 ZINC000354476436 356739546 /nfs/dbraw/zinc/73/95/46/356739546.db2.gz KKZBWRSTAIHMRB-CQSZACIVSA-N 0 3 249.402 3.657 20 0 BHADHN Cc1oc2ccccc2c1CN1CCC[C@@H]1CF ZINC000354520335 387387362 /nfs/dbraw/zinc/38/73/62/387387362.db2.gz HYQYDPJRGHJLMW-GFCCVEGCSA-N 0 3 247.313 3.675 20 0 BHADHN Cc1oc2ccccc2c1CN1CCC[C@H]1CF ZINC000354520337 387386403 /nfs/dbraw/zinc/38/64/03/387386403.db2.gz HYQYDPJRGHJLMW-LBPRGKRZSA-N 0 3 247.313 3.675 20 0 BHADHN Clc1ccc(CN2CC[C@H](CC3CC3)C2)o1 ZINC000354529991 385628940 /nfs/dbraw/zinc/62/89/40/385628940.db2.gz UPSUVQZMMUKFRE-LLVKDONJSA-N 0 3 239.746 3.555 20 0 BHADHN Clc1ccc(CN2CC[C@@H](CC3CC3)C2)o1 ZINC000354529995 385628668 /nfs/dbraw/zinc/62/86/68/385628668.db2.gz UPSUVQZMMUKFRE-NSHDSACASA-N 0 3 239.746 3.555 20 0 BHADHN Cc1ccncc1CN1CCC(C)(C(C)C)CC1 ZINC000354629690 387407411 /nfs/dbraw/zinc/40/74/11/387407411.db2.gz KGQSGDGSHBPEMS-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1cccc(C)c1[C@H](C)NCc1cccnc1 ZINC000354630494 179049198 /nfs/dbraw/zinc/04/91/98/179049198.db2.gz BZMOFTRLUBFEAA-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc(C)c1[C@@H](C)NCc1cccnc1 ZINC000354630497 179049858 /nfs/dbraw/zinc/04/98/58/179049858.db2.gz BZMOFTRLUBFEAA-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc(C)c1[C@@H](C)NCc1cncs1 ZINC000354634882 179049245 /nfs/dbraw/zinc/04/92/45/179049245.db2.gz IBALHVRVFIPYQJ-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cccc(C)c1[C@H](C)NCc1cncs1 ZINC000354634883 179049864 /nfs/dbraw/zinc/04/98/64/179049864.db2.gz IBALHVRVFIPYQJ-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CCC1(CC)CCN(Cc2cnccc2C)CC1 ZINC000354651508 385614164 /nfs/dbraw/zinc/61/41/64/385614164.db2.gz PPWACGCENRUUAP-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN Cc1cccc(C)c1[C@H](C)NCc1ccncc1 ZINC000354653461 179049640 /nfs/dbraw/zinc/04/96/40/179049640.db2.gz ZHQGFJNZJMLOHF-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc(C)c1[C@@H](C)NCc1ccncc1 ZINC000354653462 179049093 /nfs/dbraw/zinc/04/90/93/179049093.db2.gz ZHQGFJNZJMLOHF-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN CC(C)(C)OCCCCN1Cc2ccccc2C1 ZINC000354885724 387442733 /nfs/dbraw/zinc/44/27/33/387442733.db2.gz VFYFXVXITNQTAB-UHFFFAOYSA-N 0 3 247.382 3.598 20 0 BHADHN Cc1ccoc1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000354900333 387444455 /nfs/dbraw/zinc/44/44/55/387444455.db2.gz BRQMDXHRERLOOU-CYBMUJFWSA-N 0 3 233.355 3.600 20 0 BHADHN Cc1ccoc1CN1CC[C@H](C)C2(CCC2)C1 ZINC000354900342 387445364 /nfs/dbraw/zinc/44/53/64/387445364.db2.gz BRQMDXHRERLOOU-ZDUSSCGKSA-N 0 3 233.355 3.600 20 0 BHADHN Cc1ccc(CN2CC[C@@H](C)C3(CCC3)C2)o1 ZINC000354902110 387444660 /nfs/dbraw/zinc/44/46/60/387444660.db2.gz DPIXZVKGGFVDRZ-GFCCVEGCSA-N 0 3 233.355 3.600 20 0 BHADHN Cc1ccc(CN2CC[C@H](C)C3(CCC3)C2)o1 ZINC000354902112 387444772 /nfs/dbraw/zinc/44/47/72/387444772.db2.gz DPIXZVKGGFVDRZ-LBPRGKRZSA-N 0 3 233.355 3.600 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2[C@H](C)CC[C@H]2C)o1 ZINC000354990330 387460011 /nfs/dbraw/zinc/46/00/11/387460011.db2.gz ROCREPLXYBYAHO-BYNQJWBRSA-N 0 3 233.355 3.776 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2[C@H](C)CC[C@@H]2C)o1 ZINC000354990331 177187408 /nfs/dbraw/zinc/18/74/08/177187408.db2.gz ROCREPLXYBYAHO-NMKXLXIOSA-N 0 3 233.355 3.776 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2[C@H](C)CC[C@@H]2C)o1 ZINC000354990337 177186953 /nfs/dbraw/zinc/18/69/53/177186953.db2.gz ROCREPLXYBYAHO-NRWUCQMLSA-N 0 3 233.355 3.776 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2[C@@H](C)CC[C@@H]2C)o1 ZINC000354990339 177200255 /nfs/dbraw/zinc/20/02/55/177200255.db2.gz ROCREPLXYBYAHO-UHXUPSOCSA-N 0 3 233.355 3.776 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1ccccc1Cl ZINC000354990446 176200100 /nfs/dbraw/zinc/20/01/00/176200100.db2.gz CAZHZGDBNHXQKU-GHMZBOCLSA-N 0 3 223.747 3.713 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1ccccc1Cl ZINC000354990447 177187760 /nfs/dbraw/zinc/18/77/60/177187760.db2.gz CAZHZGDBNHXQKU-PHIMTYICSA-N 0 3 223.747 3.713 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1ccccc1Cl ZINC000354990448 177199844 /nfs/dbraw/zinc/19/98/44/177199844.db2.gz CAZHZGDBNHXQKU-QWRGUYRKSA-N 0 3 223.747 3.713 20 0 BHADHN Cc1ccc(F)c(CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000354993388 387461903 /nfs/dbraw/zinc/46/19/03/387461903.db2.gz ONDBFQUSMJYHLI-RYUDHWBXSA-N 0 3 221.319 3.507 20 0 BHADHN Cc1ccc(F)c(CN2[C@H](C)CC[C@@H]2C)c1 ZINC000354993390 387461733 /nfs/dbraw/zinc/46/17/33/387461733.db2.gz ONDBFQUSMJYHLI-TXEJJXNPSA-N 0 3 221.319 3.507 20 0 BHADHN Cc1ccc(F)c(CN2[C@H](C)CC[C@H]2C)c1 ZINC000354993393 387461130 /nfs/dbraw/zinc/46/11/30/387461130.db2.gz ONDBFQUSMJYHLI-VXGBXAGGSA-N 0 3 221.319 3.507 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1ccc(Cl)cc1 ZINC000354993990 176200297 /nfs/dbraw/zinc/20/02/97/176200297.db2.gz QKHYCBSTSXMWJP-GHMZBOCLSA-N 0 3 223.747 3.713 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1ccc(Cl)cc1 ZINC000354993991 177187370 /nfs/dbraw/zinc/18/73/70/177187370.db2.gz QKHYCBSTSXMWJP-PHIMTYICSA-N 0 3 223.747 3.713 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1ccc(Cl)cc1 ZINC000354993993 177199410 /nfs/dbraw/zinc/19/94/10/177199410.db2.gz QKHYCBSTSXMWJP-QWRGUYRKSA-N 0 3 223.747 3.713 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1cccc(Cl)c1 ZINC000354994716 176200465 /nfs/dbraw/zinc/20/04/65/176200465.db2.gz SLJKWRGLPPHCHD-GHMZBOCLSA-N 0 3 223.747 3.713 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1cccc(Cl)c1 ZINC000354994718 177187417 /nfs/dbraw/zinc/18/74/17/177187417.db2.gz SLJKWRGLPPHCHD-PHIMTYICSA-N 0 3 223.747 3.713 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1cccc(Cl)c1 ZINC000354994719 177200407 /nfs/dbraw/zinc/20/04/07/177200407.db2.gz SLJKWRGLPPHCHD-QWRGUYRKSA-N 0 3 223.747 3.713 20 0 BHADHN CCN(CCC1CC1)Cc1cccc(F)c1F ZINC000355060909 387472623 /nfs/dbraw/zinc/47/26/23/387472623.db2.gz OLJMOOAIIXVOBX-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN C[C@H](N(C)Cc1ccc(F)cc1F)C1(C)CC1 ZINC000355075363 387475813 /nfs/dbraw/zinc/47/58/13/387475813.db2.gz BHVJPGKQCURJAO-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H](N(C)Cc1ccc(F)cc1F)C1(C)CC1 ZINC000355075364 387474527 /nfs/dbraw/zinc/47/45/27/387474527.db2.gz BHVJPGKQCURJAO-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H](N(C)Cc1cc(F)ccc1F)C1(C)CC1 ZINC000355078600 387474931 /nfs/dbraw/zinc/47/49/31/387474931.db2.gz ILPQWTOYFGWFTF-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H](N(C)Cc1cc(F)ccc1F)C1(C)CC1 ZINC000355078976 387474488 /nfs/dbraw/zinc/47/44/88/387474488.db2.gz ILPQWTOYFGWFTF-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN COc1ccc(C)cc1CN(C)[C@H](C)C1(C)CC1 ZINC000355079023 175074673 /nfs/dbraw/zinc/07/46/73/175074673.db2.gz JCGMCAXMCJQNPS-CYBMUJFWSA-N 0 3 247.382 3.624 20 0 BHADHN COc1ccc(C)cc1CN(C)[C@@H](C)C1(C)CC1 ZINC000355079024 175074976 /nfs/dbraw/zinc/07/49/76/175074976.db2.gz JCGMCAXMCJQNPS-ZDUSSCGKSA-N 0 3 247.382 3.624 20 0 BHADHN CCOc1ccccc1CN(C)[C@H](C)C1(C)CC1 ZINC000355083952 387476969 /nfs/dbraw/zinc/47/69/69/387476969.db2.gz VCPBCCDZZZUQDH-CYBMUJFWSA-N 0 3 247.382 3.706 20 0 BHADHN CCOc1ccccc1CN(C)[C@@H](C)C1(C)CC1 ZINC000355083955 387478046 /nfs/dbraw/zinc/47/80/46/387478046.db2.gz VCPBCCDZZZUQDH-ZDUSSCGKSA-N 0 3 247.382 3.706 20 0 BHADHN Cc1ccc(F)c(CN(C)[C@H](C)C2(C)CC2)c1 ZINC000355090122 387477942 /nfs/dbraw/zinc/47/79/42/387477942.db2.gz RMYONFDJRNUAED-GFCCVEGCSA-N 0 3 235.346 3.755 20 0 BHADHN Cc1ccc(F)c(CN(C)[C@@H](C)C2(C)CC2)c1 ZINC000355090123 387478202 /nfs/dbraw/zinc/47/82/02/387478202.db2.gz RMYONFDJRNUAED-LBPRGKRZSA-N 0 3 235.346 3.755 20 0 BHADHN C[C@H](N(C)Cc1cc(F)cc(F)c1)C1(C)CC1 ZINC000355093501 387479154 /nfs/dbraw/zinc/47/91/54/387479154.db2.gz XLCXNFNJFAQPKM-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H](N(C)Cc1cc(F)cc(F)c1)C1(C)CC1 ZINC000355093502 387479578 /nfs/dbraw/zinc/47/95/78/387479578.db2.gz XLCXNFNJFAQPKM-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN CN(Cc1ccc(C(F)F)cc1)[C@@H]1CC1(C)C ZINC000355125315 387482159 /nfs/dbraw/zinc/48/21/59/387482159.db2.gz PZKFPBGQZXBPNM-GFCCVEGCSA-N 0 3 239.309 3.855 20 0 BHADHN CN(Cc1ccc(C(F)F)cc1)[C@H]1CC1(C)C ZINC000355125328 387483041 /nfs/dbraw/zinc/48/30/41/387483041.db2.gz PZKFPBGQZXBPNM-LBPRGKRZSA-N 0 3 239.309 3.855 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@@H](C)[C@H]2C)o1 ZINC000355137065 387485580 /nfs/dbraw/zinc/48/55/80/387485580.db2.gz QMQHHVDFAUVDRT-BYNQJWBRSA-N 0 3 233.355 3.633 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@@H](C)[C@@H]2C)o1 ZINC000355137069 387484612 /nfs/dbraw/zinc/48/46/12/387484612.db2.gz QMQHHVDFAUVDRT-NMKXLXIOSA-N 0 3 233.355 3.633 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@H](C)[C@@H]2C)o1 ZINC000355137070 177163472 /nfs/dbraw/zinc/16/34/72/177163472.db2.gz QMQHHVDFAUVDRT-OPDFLTKYSA-N 0 3 233.355 3.633 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@H](C)[C@H]2C)o1 ZINC000355137072 177164207 /nfs/dbraw/zinc/16/42/07/177164207.db2.gz QMQHHVDFAUVDRT-SFTQSGBHSA-N 0 3 233.355 3.633 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNCCC2(C)CC2)o1 ZINC000355140204 177351728 /nfs/dbraw/zinc/35/17/28/177351728.db2.gz UNCJEWAROQCAOR-AAEUAGOBSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNCCC2(C)CC2)o1 ZINC000355140211 411312677 /nfs/dbraw/zinc/31/26/77/411312677.db2.gz UNCJEWAROQCAOR-DGCLKSJQSA-N 0 3 233.355 3.683 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNCCC2(C)CC2)o1 ZINC000355140213 411313077 /nfs/dbraw/zinc/31/30/77/411313077.db2.gz UNCJEWAROQCAOR-WCQYABFASA-N 0 3 233.355 3.683 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNCCC2(C)CC2)o1 ZINC000355140215 411313028 /nfs/dbraw/zinc/31/30/28/411313028.db2.gz UNCJEWAROQCAOR-YPMHNXCESA-N 0 3 233.355 3.683 20 0 BHADHN Cc1ncccc1CN1CC=C(C(C)(C)C)CC1 ZINC000355197773 180219543 /nfs/dbraw/zinc/21/95/43/180219543.db2.gz MNCNDKYRHPUFMS-UHFFFAOYSA-N 0 3 244.382 3.568 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN(C)CCC2CC2)o1 ZINC000355207015 387497010 /nfs/dbraw/zinc/49/70/10/387497010.db2.gz DRADRJSHEAIYSS-BXUZGUMPSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN(C)CCC2CC2)o1 ZINC000355207022 177352097 /nfs/dbraw/zinc/35/20/97/177352097.db2.gz DRADRJSHEAIYSS-FZMZJTMJSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN(C)CCC2CC2)o1 ZINC000355207024 387497081 /nfs/dbraw/zinc/49/70/81/387497081.db2.gz DRADRJSHEAIYSS-RISCZKNCSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN(C)CCC2CC2)o1 ZINC000355207027 387497563 /nfs/dbraw/zinc/49/75/63/387497563.db2.gz DRADRJSHEAIYSS-SMDDNHRTSA-N 0 3 233.355 3.635 20 0 BHADHN CN(Cc1cccs1)[C@H]1C[C@@H]1c1ccccc1 ZINC000355211935 387496537 /nfs/dbraw/zinc/49/65/37/387496537.db2.gz UOFCXVQEBXPSMC-CABCVRRESA-N 0 3 243.375 3.736 20 0 BHADHN CN(Cc1cccs1)[C@H]1C[C@H]1c1ccccc1 ZINC000355211936 387496943 /nfs/dbraw/zinc/49/69/43/387496943.db2.gz UOFCXVQEBXPSMC-GJZGRUSLSA-N 0 3 243.375 3.736 20 0 BHADHN CN(Cc1cccs1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000355211937 387497764 /nfs/dbraw/zinc/49/77/64/387497764.db2.gz UOFCXVQEBXPSMC-HUUCEWRRSA-N 0 3 243.375 3.736 20 0 BHADHN CN(Cc1cccs1)[C@@H]1C[C@H]1c1ccccc1 ZINC000355211938 387497281 /nfs/dbraw/zinc/49/72/81/387497281.db2.gz UOFCXVQEBXPSMC-LSDHHAIUSA-N 0 3 243.375 3.736 20 0 BHADHN Cc1ccc(CN(C)[C@H]2C[C@@H]2c2ccccc2)o1 ZINC000355214137 387496742 /nfs/dbraw/zinc/49/67/42/387496742.db2.gz XFQQPIHSIQETOE-CVEARBPZSA-N 0 3 241.334 3.576 20 0 BHADHN Cc1ccc(CN(C)[C@H]2C[C@H]2c2ccccc2)o1 ZINC000355214140 178555122 /nfs/dbraw/zinc/55/51/22/178555122.db2.gz XFQQPIHSIQETOE-HOTGVXAUSA-N 0 3 241.334 3.576 20 0 BHADHN Cc1ccc(CN(C)[C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000355214143 387498528 /nfs/dbraw/zinc/49/85/28/387498528.db2.gz XFQQPIHSIQETOE-HZPDHXFCSA-N 0 3 241.334 3.576 20 0 BHADHN Cc1ccc(CN(C)[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000355214146 387497645 /nfs/dbraw/zinc/49/76/45/387497645.db2.gz XFQQPIHSIQETOE-JKSUJKDBSA-N 0 3 241.334 3.576 20 0 BHADHN Cc1ccoc1CN(C)[C@H]1C[C@@H]1c1ccccc1 ZINC000355217525 387498266 /nfs/dbraw/zinc/49/82/66/387498266.db2.gz XFRTVLLUKZOMQT-CABCVRRESA-N 0 3 241.334 3.576 20 0 BHADHN Cc1ccoc1CN(C)[C@H]1C[C@H]1c1ccccc1 ZINC000355217526 387498167 /nfs/dbraw/zinc/49/81/67/387498167.db2.gz XFRTVLLUKZOMQT-GJZGRUSLSA-N 0 3 241.334 3.576 20 0 BHADHN Cc1ccoc1CN(C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000355217527 387498083 /nfs/dbraw/zinc/49/80/83/387498083.db2.gz XFRTVLLUKZOMQT-HUUCEWRRSA-N 0 3 241.334 3.576 20 0 BHADHN Cc1ccoc1CN(C)[C@@H]1C[C@H]1c1ccccc1 ZINC000355218491 387497732 /nfs/dbraw/zinc/49/77/32/387497732.db2.gz XFRTVLLUKZOMQT-LSDHHAIUSA-N 0 3 241.334 3.576 20 0 BHADHN CCc1ccc(CN2CCCC3(CCC3)C2)o1 ZINC000355224148 387500001 /nfs/dbraw/zinc/50/00/01/387500001.db2.gz QJPMNAQEQBHKJX-UHFFFAOYSA-N 0 3 233.355 3.608 20 0 BHADHN c1cc(CN2CCCC3(CCC3)C2)cs1 ZINC000355225345 183340309 /nfs/dbraw/zinc/34/03/09/183340309.db2.gz RZQQHJARAYWMRE-UHFFFAOYSA-N 0 3 221.369 3.514 20 0 BHADHN CC(C)CCC1CCN(Cc2ccccn2)CC1 ZINC000355250730 387506284 /nfs/dbraw/zinc/50/62/84/387506284.db2.gz GBOXMYSRSBNWKW-UHFFFAOYSA-N 0 3 246.398 3.730 20 0 BHADHN Fc1ccccc1CN(CC1CC1)C1CCC1 ZINC000355253445 181011751 /nfs/dbraw/zinc/01/17/51/181011751.db2.gz LAKLNDQXJCVESQ-UHFFFAOYSA-N 0 3 233.330 3.590 20 0 BHADHN CC(C)CCC1CCN(Cc2cccnc2)CC1 ZINC000355254291 387505030 /nfs/dbraw/zinc/50/50/30/387505030.db2.gz MWWQJIGXLGSGFX-UHFFFAOYSA-N 0 3 246.398 3.730 20 0 BHADHN CC(C)CCC1CCN(Cc2ccncc2)CC1 ZINC000355255024 387505762 /nfs/dbraw/zinc/50/57/62/387505762.db2.gz OCIPUELRUFSMBW-UHFFFAOYSA-N 0 3 246.398 3.730 20 0 BHADHN CCC(C)(C)N(C)Cc1scnc1C1CC1 ZINC000355288219 538793583 /nfs/dbraw/zinc/79/35/83/538793583.db2.gz XFFIIPYFKOWZSZ-UHFFFAOYSA-N 0 3 238.400 3.641 20 0 BHADHN CSCCN1CCc2c(cccc2C(C)C)C1 ZINC000355376085 387528056 /nfs/dbraw/zinc/52/80/56/387528056.db2.gz GXEZOSHNASHILS-UHFFFAOYSA-N 0 3 249.423 3.531 20 0 BHADHN Cc1ccc(CNCC2(C)CCC(C)CC2)nc1 ZINC000355418274 187723440 /nfs/dbraw/zinc/72/34/40/187723440.db2.gz LGXRPPLIEMJGLA-UHFFFAOYSA-N 0 3 246.398 3.696 20 0 BHADHN CCN(CCC1CC1)Cc1ccc(Cl)o1 ZINC000355513015 387545970 /nfs/dbraw/zinc/54/59/70/387545970.db2.gz MQYTXWPWILVSGX-UHFFFAOYSA-N 0 3 227.735 3.555 20 0 BHADHN C[C@@H]1CCN(Cc2ccsc2)CC1(C)C ZINC000355513052 176177789 /nfs/dbraw/zinc/17/77/89/176177789.db2.gz MYNMXFYFKBTWQM-LLVKDONJSA-N 0 3 223.385 3.616 20 0 BHADHN C[C@H]1CCN(Cc2ccsc2)CC1(C)C ZINC000355513054 177167348 /nfs/dbraw/zinc/16/73/48/177167348.db2.gz MYNMXFYFKBTWQM-NSHDSACASA-N 0 3 223.385 3.616 20 0 BHADHN CCN(Cc1cc(F)ccc1F)CC1CCC1 ZINC000355575664 356764604 /nfs/dbraw/zinc/76/46/04/356764604.db2.gz AROIZRJLKGFNHU-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN Cc1ccncc1CN(C)C[C@@H]1CCC[C@H](C)C1 ZINC000355580638 387554483 /nfs/dbraw/zinc/55/44/83/387554483.db2.gz HEULANQQEHPJFW-DZGCQCFKSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccncc1CN(C)C[C@H]1CCC[C@@H](C)C1 ZINC000355580642 387554001 /nfs/dbraw/zinc/55/40/01/387554001.db2.gz HEULANQQEHPJFW-HIFRSBDPSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccncc1CN(C)C[C@@H]1CCC[C@@H](C)C1 ZINC000355580645 387554228 /nfs/dbraw/zinc/55/42/28/387554228.db2.gz HEULANQQEHPJFW-UKRRQHHQSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccncc1CN(C)C[C@H]1CCC[C@H](C)C1 ZINC000355580649 387553976 /nfs/dbraw/zinc/55/39/76/387553976.db2.gz HEULANQQEHPJFW-ZFWWWQNUSA-N 0 3 246.398 3.648 20 0 BHADHN CCN(Cc1cccc(F)c1F)CC1CCC1 ZINC000355599695 411303561 /nfs/dbraw/zinc/30/35/61/411303561.db2.gz DCRYJHSSMBBNBM-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN CCN(Cc1ccc(F)cc1F)CC1CCC1 ZINC000355608487 387557432 /nfs/dbraw/zinc/55/74/32/387557432.db2.gz PAQJHVRUKJZZQI-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN CCN(Cc1ccc(Cl)o1)CC1CCC1 ZINC000355613749 356766678 /nfs/dbraw/zinc/76/66/78/356766678.db2.gz YKJXDVAYJPXIJP-UHFFFAOYSA-N 0 3 227.735 3.555 20 0 BHADHN c1cc(Oc2ccccc2)oc1CNC1CCC1 ZINC000355687882 397917536 /nfs/dbraw/zinc/91/75/36/397917536.db2.gz YSIBQBXBCHWZFM-UHFFFAOYSA-N 0 3 243.306 3.714 20 0 BHADHN Clc1ccc(CN(CC2CC2)C2CCC2)o1 ZINC000355725828 387570989 /nfs/dbraw/zinc/57/09/89/387570989.db2.gz HCAWJNXIPDSLDF-UHFFFAOYSA-N 0 3 239.746 3.698 20 0 BHADHN C[C@@H](NCCCF)c1cc2cccc(F)c2o1 ZINC000355734569 387574016 /nfs/dbraw/zinc/57/40/16/387574016.db2.gz NACDNEKYKROKBX-SECBINFHSA-N 0 3 239.265 3.582 20 0 BHADHN C[C@H](NCCCF)c1cc2cccc(F)c2o1 ZINC000355734571 387573576 /nfs/dbraw/zinc/57/35/76/387573576.db2.gz NACDNEKYKROKBX-VIFPVBQESA-N 0 3 239.265 3.582 20 0 BHADHN CCSCCNCc1oc2ccccc2c1C ZINC000355745502 387575581 /nfs/dbraw/zinc/57/55/81/387575581.db2.gz GZCHARTUNGMJFZ-UHFFFAOYSA-N 0 3 249.379 3.584 20 0 BHADHN CN(CCc1ccccc1Cl)Cc1ccco1 ZINC000355748773 387576882 /nfs/dbraw/zinc/57/68/82/387576882.db2.gz JFNGCJYYNQAEKH-UHFFFAOYSA-N 0 3 249.741 3.608 20 0 BHADHN CN(CCc1ccccc1Cl)Cc1ccoc1 ZINC000355763043 397918979 /nfs/dbraw/zinc/91/89/79/397918979.db2.gz UNSQADADGRMULE-UHFFFAOYSA-N 0 3 249.741 3.608 20 0 BHADHN FC(F)(F)CCN1CCC[C@]2(CC=CCC2)C1 ZINC000355882062 387589218 /nfs/dbraw/zinc/58/92/18/387589218.db2.gz ROMBMRLFFHIMAB-GFCCVEGCSA-N 0 3 247.304 3.761 20 0 BHADHN FC(F)(F)CCN1CCC[C@@]2(CC=CCC2)C1 ZINC000355882076 387590111 /nfs/dbraw/zinc/59/01/11/387590111.db2.gz ROMBMRLFFHIMAB-LBPRGKRZSA-N 0 3 247.304 3.761 20 0 BHADHN Cc1cccc(CN(C)[C@@H](C)c2ccccc2)n1 ZINC000355912338 179069733 /nfs/dbraw/zinc/06/97/33/179069733.db2.gz LRBMMTWHUUSVLJ-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cccc(CN(C)[C@H](C)c2ccccc2)n1 ZINC000355912349 179070301 /nfs/dbraw/zinc/07/03/01/179070301.db2.gz LRBMMTWHUUSVLJ-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN CCOc1ccccc1C1=CCN(C(C)C)CC1 ZINC000355917910 387595936 /nfs/dbraw/zinc/59/59/36/387595936.db2.gz UFMZXKLIEAMCRZ-UHFFFAOYSA-N 0 3 245.366 3.583 20 0 BHADHN Fc1ccccc1CN(C1CCC1)C1CCC1 ZINC000355918567 181011464 /nfs/dbraw/zinc/01/14/64/181011464.db2.gz VRJSWZDRYKXYIR-UHFFFAOYSA-N 0 3 233.330 3.733 20 0 BHADHN CC[C@]1(C)CCCN([C@@H](C)c2ccccn2)C1 ZINC000355919067 387594980 /nfs/dbraw/zinc/59/49/80/387594980.db2.gz WRTSWYRMEAUHMX-DZGCQCFKSA-N 0 3 232.371 3.655 20 0 BHADHN CC[C@@]1(C)CCCN([C@H](C)c2ccccn2)C1 ZINC000355919068 171198555 /nfs/dbraw/zinc/19/85/55/171198555.db2.gz WRTSWYRMEAUHMX-HIFRSBDPSA-N 0 3 232.371 3.655 20 0 BHADHN CC[C@]1(C)CCCN([C@H](C)c2ccccn2)C1 ZINC000355919069 387595590 /nfs/dbraw/zinc/59/55/90/387595590.db2.gz WRTSWYRMEAUHMX-UKRRQHHQSA-N 0 3 232.371 3.655 20 0 BHADHN CC[C@@]1(C)CCCN([C@@H](C)c2ccccn2)C1 ZINC000355919070 171199568 /nfs/dbraw/zinc/19/95/68/171199568.db2.gz WRTSWYRMEAUHMX-ZFWWWQNUSA-N 0 3 232.371 3.655 20 0 BHADHN CC[C@@]1(C)C[C@@H]1c1nc(CCC(C)C)no1 ZINC000356008323 171207119 /nfs/dbraw/zinc/20/71/19/171207119.db2.gz LLBBIDPVICSSFO-MFKMUULPSA-N 0 3 222.332 3.562 20 0 BHADHN CCN(Cc1cscc1C(F)(F)F)C1CC1 ZINC000356055068 356786660 /nfs/dbraw/zinc/78/66/60/356786660.db2.gz LDRWNWDUIGTTJB-UHFFFAOYSA-N 0 3 249.301 3.751 20 0 BHADHN CCN(CC)Cc1cscc1C(F)(F)F ZINC000356060751 387611891 /nfs/dbraw/zinc/61/18/91/387611891.db2.gz RZECQDWZYXWFRP-UHFFFAOYSA-N 0 3 237.290 3.609 20 0 BHADHN CCN(Cc1ccc(SC)s1)C(C)C ZINC000356060916 356787434 /nfs/dbraw/zinc/78/74/34/356787434.db2.gz SOHCLSKXUCCIFG-UHFFFAOYSA-N 0 3 229.414 3.700 20 0 BHADHN CSc1ccc(CN(C(C)C)C2CC2)s1 ZINC000356062149 356787326 /nfs/dbraw/zinc/78/73/26/356787326.db2.gz KJFHSLNZKBKRTR-UHFFFAOYSA-N 0 3 241.425 3.843 20 0 BHADHN CSc1ccc(CN(C)CC2CCC2)s1 ZINC000356062849 356787581 /nfs/dbraw/zinc/78/75/81/356787581.db2.gz VRUWUCRYQKLJHQ-UHFFFAOYSA-N 0 3 241.425 3.702 20 0 BHADHN CN(Cc1cscc1C(F)(F)F)CC1CC1 ZINC000356065562 387611740 /nfs/dbraw/zinc/61/17/40/387611740.db2.gz OJCXQEXSVXZVPK-UHFFFAOYSA-N 0 3 249.301 3.609 20 0 BHADHN CSc1ccc(CN(C)CC(C)C)s1 ZINC000356067969 188064661 /nfs/dbraw/zinc/06/46/61/188064661.db2.gz SLDARMQQPWCTAC-UHFFFAOYSA-N 0 3 229.414 3.558 20 0 BHADHN CC(C)N(C)Cc1cscc1C(F)(F)F ZINC000356071059 187376330 /nfs/dbraw/zinc/37/63/30/187376330.db2.gz ZAJOFWMOTXXUTB-UHFFFAOYSA-N 0 3 237.290 3.607 20 0 BHADHN CC1=C[C@@H](C)C[C@H](CN(C)Cc2ccoc2)C1 ZINC000356083825 168124826 /nfs/dbraw/zinc/12/48/26/168124826.db2.gz KDCDFHNMQZHLLM-DOMZBBRYSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=C[C@@H](C)C[C@@H](CN(C)Cc2ccoc2)C1 ZINC000356083828 168123508 /nfs/dbraw/zinc/12/35/08/168123508.db2.gz KDCDFHNMQZHLLM-IUODEOHRSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=C[C@H](C)C[C@@H](CN(C)Cc2ccoc2)C1 ZINC000356083830 168127409 /nfs/dbraw/zinc/12/74/09/168127409.db2.gz KDCDFHNMQZHLLM-SWLSCSKDSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=C[C@H](C)C[C@H](CN(C)Cc2ccoc2)C1 ZINC000356083832 168129202 /nfs/dbraw/zinc/12/92/02/168129202.db2.gz KDCDFHNMQZHLLM-WFASDCNBSA-N 0 3 233.355 3.704 20 0 BHADHN CCCN(C)Cc1cscc1C(F)(F)F ZINC000356087329 169080104 /nfs/dbraw/zinc/08/01/04/169080104.db2.gz NPRAWUFIIHXMED-UHFFFAOYSA-N 0 3 237.290 3.609 20 0 BHADHN CSc1ccc(CN2[C@H](C)CC[C@@H]2C)s1 ZINC000356105224 397927230 /nfs/dbraw/zinc/92/72/30/397927230.db2.gz CERPCDYJOJEEOS-AOOOYVTPSA-N 0 3 241.425 3.843 20 0 BHADHN CSc1ccc(CN2[C@H](C)CC[C@H]2C)s1 ZINC000356105226 397927563 /nfs/dbraw/zinc/92/75/63/397927563.db2.gz CERPCDYJOJEEOS-NXEZZACHSA-N 0 3 241.425 3.843 20 0 BHADHN CSc1ccc(CN2[C@@H](C)CC[C@@H]2C)s1 ZINC000356105229 397927567 /nfs/dbraw/zinc/92/75/67/397927567.db2.gz CERPCDYJOJEEOS-UWVGGRQHSA-N 0 3 241.425 3.843 20 0 BHADHN CN(Cc1cscc1C(F)(F)F)C1CCC1 ZINC000356128299 387618688 /nfs/dbraw/zinc/61/86/88/387618688.db2.gz OZSZIHHWQPLXEV-UHFFFAOYSA-N 0 3 249.301 3.751 20 0 BHADHN CCN(Cc1ccc(SC)s1)C1CCC1 ZINC000356137937 356789771 /nfs/dbraw/zinc/78/97/71/356789771.db2.gz QVPKBMXNDVPZKJ-UHFFFAOYSA-N 0 3 241.425 3.844 20 0 BHADHN CC1(C2CC2)CCN(Cc2ccsc2)CC1 ZINC000356272262 168014952 /nfs/dbraw/zinc/01/49/52/168014952.db2.gz BTHVJPSSIJDTRO-UHFFFAOYSA-N 0 3 235.396 3.760 20 0 BHADHN CCc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)o1 ZINC000356272452 387635704 /nfs/dbraw/zinc/63/57/04/387635704.db2.gz CHKXCMGDVXUHAZ-HNNXBMFYSA-N 0 3 245.366 3.607 20 0 BHADHN CCc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)o1 ZINC000356272456 387635343 /nfs/dbraw/zinc/63/53/43/387635343.db2.gz CHKXCMGDVXUHAZ-OAHLLOKOSA-N 0 3 245.366 3.607 20 0 BHADHN Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)s1 ZINC000356277860 387638240 /nfs/dbraw/zinc/63/82/40/387638240.db2.gz IBPKCEDTYXPANW-AWEZNQCLSA-N 0 3 247.407 3.821 20 0 BHADHN Cc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)s1 ZINC000356279036 387637156 /nfs/dbraw/zinc/63/71/56/387637156.db2.gz IBPKCEDTYXPANW-CQSZACIVSA-N 0 3 247.407 3.821 20 0 BHADHN Cc1ccc(CN2CCC(C)(C3CC3)CC2)o1 ZINC000356279096 387638762 /nfs/dbraw/zinc/63/87/62/387638762.db2.gz ISSXVVCRWFBPMQ-UHFFFAOYSA-N 0 3 233.355 3.600 20 0 BHADHN Fc1ccccc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000356283390 181012265 /nfs/dbraw/zinc/01/22/65/181012265.db2.gz NNICTJNQZXRRLS-HNNXBMFYSA-N 0 3 245.341 3.590 20 0 BHADHN Fc1ccccc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000356283391 181012037 /nfs/dbraw/zinc/01/20/37/181012037.db2.gz NNICTJNQZXRRLS-OAHLLOKOSA-N 0 3 245.341 3.590 20 0 BHADHN Fc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000356286099 387637450 /nfs/dbraw/zinc/63/74/50/387637450.db2.gz RQAOFKAUFJLHIQ-HNNXBMFYSA-N 0 3 245.341 3.590 20 0 BHADHN Fc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000356286100 387637362 /nfs/dbraw/zinc/63/73/62/387637362.db2.gz RQAOFKAUFJLHIQ-OAHLLOKOSA-N 0 3 245.341 3.590 20 0 BHADHN Cc1ccoc1CN1CCC(C)(C2CC2)CC1 ZINC000356290252 386258041 /nfs/dbraw/zinc/25/80/41/386258041.db2.gz ZAKPEITXPCLREA-UHFFFAOYSA-N 0 3 233.355 3.600 20 0 BHADHN Fc1cccc(CN2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000356293594 387640904 /nfs/dbraw/zinc/64/09/04/387640904.db2.gz LGGGMXSSOUZSNA-HNNXBMFYSA-N 0 3 245.341 3.590 20 0 BHADHN Fc1cccc(CN2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000356293598 387640880 /nfs/dbraw/zinc/64/08/80/387640880.db2.gz LGGGMXSSOUZSNA-OAHLLOKOSA-N 0 3 245.341 3.590 20 0 BHADHN CSC1(CN2Cc3ccc(C)cc3C2)CCC1 ZINC000356314683 387642733 /nfs/dbraw/zinc/64/27/33/387642733.db2.gz GPEPCQRSUUUZLT-UHFFFAOYSA-N 0 3 247.407 3.596 20 0 BHADHN CSc1ccc(CN(C)[C@H]2CC2(C)C)s1 ZINC000356402930 387652965 /nfs/dbraw/zinc/65/29/65/387652965.db2.gz ZOIQBFQKDBCVOA-JTQLQIEISA-N 0 3 241.425 3.700 20 0 BHADHN CSc1ccc(CN(C)[C@@H]2CC2(C)C)s1 ZINC000356402938 387653912 /nfs/dbraw/zinc/65/39/12/387653912.db2.gz ZOIQBFQKDBCVOA-SNVBAGLBSA-N 0 3 241.425 3.700 20 0 BHADHN CCC1(CC)CCCN(Cc2n[nH]cc2C)CC1 ZINC000356418767 387655581 /nfs/dbraw/zinc/65/55/81/387655581.db2.gz GOFAIEKBKBEPAU-UHFFFAOYSA-N 0 3 249.402 3.510 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1ccc(CC)nc1 ZINC000356500899 356797699 /nfs/dbraw/zinc/79/76/99/356797699.db2.gz FIKGOHGHGNQPBJ-CYBMUJFWSA-N 0 3 234.387 3.655 20 0 BHADHN CCCC[C@H](C)N(C)Cc1ccc(CC)nc1 ZINC000356500900 356797495 /nfs/dbraw/zinc/79/74/95/356797495.db2.gz FIKGOHGHGNQPBJ-ZDUSSCGKSA-N 0 3 234.387 3.655 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1ccc(C)o1 ZINC000356520706 356798330 /nfs/dbraw/zinc/79/83/30/356798330.db2.gz ISJYAAUNPDISCY-LLVKDONJSA-N 0 3 209.333 3.599 20 0 BHADHN CCCC[C@H](C)N(C)Cc1ccc(C)o1 ZINC000356520707 356798521 /nfs/dbraw/zinc/79/85/21/356798521.db2.gz ISJYAAUNPDISCY-NSHDSACASA-N 0 3 209.333 3.599 20 0 BHADHN CC1CCC(CN2CC3(CCC3(F)F)C2)CC1 ZINC000356521477 168153718 /nfs/dbraw/zinc/15/37/18/168153718.db2.gz HLOULNXRGZYEQK-UHFFFAOYSA-N 0 3 243.341 3.544 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1cnc(CC)s1 ZINC000356524897 356798351 /nfs/dbraw/zinc/79/83/51/356798351.db2.gz NFBPMWOXVMDXSJ-LLVKDONJSA-N 0 3 240.416 3.716 20 0 BHADHN CCCC[C@H](C)N(C)Cc1cnc(CC)s1 ZINC000356524904 356798276 /nfs/dbraw/zinc/79/82/76/356798276.db2.gz NFBPMWOXVMDXSJ-NSHDSACASA-N 0 3 240.416 3.716 20 0 BHADHN C[C@@H]1CCC[C@@H](CN(C)Cc2ccco2)C1 ZINC000356956550 176117349 /nfs/dbraw/zinc/11/73/49/176117349.db2.gz MEVGRBOXJCPXSZ-CHWSQXEVSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@@H]1CCC[C@H](CN(C)Cc2ccco2)C1 ZINC000356956552 176137547 /nfs/dbraw/zinc/13/75/47/176137547.db2.gz MEVGRBOXJCPXSZ-OLZOCXBDSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@H]1CCC[C@@H](CN(C)Cc2ccco2)C1 ZINC000356956553 177119341 /nfs/dbraw/zinc/11/93/41/177119341.db2.gz MEVGRBOXJCPXSZ-QWHCGFSZSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@H]1CCC[C@H](CN(C)Cc2ccco2)C1 ZINC000356956556 177132943 /nfs/dbraw/zinc/13/29/43/177132943.db2.gz MEVGRBOXJCPXSZ-STQMWFEESA-N 0 3 221.344 3.538 20 0 BHADHN CC[C@@H]1CCCN([C@H](C)c2ncc(C)o2)CC1 ZINC000356975426 356811340 /nfs/dbraw/zinc/81/13/40/356811340.db2.gz BBASLZYEWOMNAV-CHWSQXEVSA-N 0 3 236.359 3.556 20 0 BHADHN CC[C@H]1CCCN([C@H](C)c2ncc(C)o2)CC1 ZINC000356975430 387757414 /nfs/dbraw/zinc/75/74/14/387757414.db2.gz BBASLZYEWOMNAV-OLZOCXBDSA-N 0 3 236.359 3.556 20 0 BHADHN CC[C@@H]1CCCN([C@@H](C)c2ncc(C)o2)CC1 ZINC000356975434 356810981 /nfs/dbraw/zinc/81/09/81/356810981.db2.gz BBASLZYEWOMNAV-QWHCGFSZSA-N 0 3 236.359 3.556 20 0 BHADHN CC[C@H]1CCCN([C@@H](C)c2ncc(C)o2)CC1 ZINC000356975438 387756145 /nfs/dbraw/zinc/75/61/45/387756145.db2.gz BBASLZYEWOMNAV-STQMWFEESA-N 0 3 236.359 3.556 20 0 BHADHN C[C@@H]1CCC[C@@H](CN(C)Cc2ccoc2)C1 ZINC000356996093 176117581 /nfs/dbraw/zinc/11/75/81/176117581.db2.gz HLSNCTSOVNFSKI-CHWSQXEVSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@@H]1CCC[C@H](CN(C)Cc2ccoc2)C1 ZINC000356996094 176137506 /nfs/dbraw/zinc/13/75/06/176137506.db2.gz HLSNCTSOVNFSKI-OLZOCXBDSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@H]1CCC[C@@H](CN(C)Cc2ccoc2)C1 ZINC000356996095 177119110 /nfs/dbraw/zinc/11/91/10/177119110.db2.gz HLSNCTSOVNFSKI-QWHCGFSZSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@H]1CCC[C@H](CN(C)Cc2ccoc2)C1 ZINC000356996096 177133496 /nfs/dbraw/zinc/13/34/96/177133496.db2.gz HLSNCTSOVNFSKI-STQMWFEESA-N 0 3 221.344 3.538 20 0 BHADHN CCC1(CC)CCN([C@H](C)c2ncc(C)o2)C1 ZINC000356999311 386682945 /nfs/dbraw/zinc/68/29/45/386682945.db2.gz JZTLATYBIMOVGW-GFCCVEGCSA-N 0 3 236.359 3.556 20 0 BHADHN CCC1(CC)CCN([C@@H](C)c2ncc(C)o2)C1 ZINC000356999312 386681869 /nfs/dbraw/zinc/68/18/69/386681869.db2.gz JZTLATYBIMOVGW-LBPRGKRZSA-N 0 3 236.359 3.556 20 0 BHADHN Cc1cnc([C@@H](C)N2CCCC(C)(C)CC2)o1 ZINC000357011009 386687845 /nfs/dbraw/zinc/68/78/45/386687845.db2.gz XFJNAORKNONVJV-GFCCVEGCSA-N 0 3 236.359 3.556 20 0 BHADHN Cc1cnc([C@H](C)N2CCCC(C)(C)CC2)o1 ZINC000357011010 386688667 /nfs/dbraw/zinc/68/86/67/386688667.db2.gz XFJNAORKNONVJV-LBPRGKRZSA-N 0 3 236.359 3.556 20 0 BHADHN Cc1cccc(CN(C)C[C@@H]2CCC[C@H](C)C2)n1 ZINC000357012420 179065546 /nfs/dbraw/zinc/06/55/46/179065546.db2.gz YWCJHCHISDCFOI-DZGCQCFKSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1cccc(CN(C)C[C@H]2CCC[C@@H](C)C2)n1 ZINC000357012421 179066155 /nfs/dbraw/zinc/06/61/55/179066155.db2.gz YWCJHCHISDCFOI-HIFRSBDPSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1cccc(CN(C)C[C@@H]2CCC[C@@H](C)C2)n1 ZINC000357012422 179067809 /nfs/dbraw/zinc/06/78/09/179067809.db2.gz YWCJHCHISDCFOI-UKRRQHHQSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1cccc(CN(C)C[C@H]2CCC[C@H](C)C2)n1 ZINC000357012423 179066855 /nfs/dbraw/zinc/06/68/55/179066855.db2.gz YWCJHCHISDCFOI-ZFWWWQNUSA-N 0 3 246.398 3.648 20 0 BHADHN C[C@@H](C1CCC1)N(C)Cc1cc(F)ccc1F ZINC000357028296 386696968 /nfs/dbraw/zinc/69/69/68/386696968.db2.gz UHBSHIPIXXHFFL-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H](C1CCC1)N(C)Cc1cc(F)ccc1F ZINC000357028297 384744967 /nfs/dbraw/zinc/74/49/67/384744967.db2.gz UHBSHIPIXXHFFL-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H](C1CCC1)N(C)Cc1cccc(F)c1F ZINC000357029777 386697068 /nfs/dbraw/zinc/69/70/68/386697068.db2.gz XDOLMPWCPABSLC-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H](C1CCC1)N(C)Cc1cccc(F)c1F ZINC000357029778 386697786 /nfs/dbraw/zinc/69/77/86/386697786.db2.gz XDOLMPWCPABSLC-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H](C1CCC1)N(C)Cc1ccc(F)cc1F ZINC000357048669 386703486 /nfs/dbraw/zinc/70/34/86/386703486.db2.gz XEHKPCWKAFSSQZ-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H](C1CCC1)N(C)Cc1ccc(F)cc1F ZINC000357048672 386704116 /nfs/dbraw/zinc/70/41/16/386704116.db2.gz XEHKPCWKAFSSQZ-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN CCC(C)(C)CCN(Cc1cccnc1)C1CC1 ZINC000357389050 168277215 /nfs/dbraw/zinc/27/72/15/168277215.db2.gz JYRVVYFYNNLAJZ-UHFFFAOYSA-N 0 3 246.398 3.872 20 0 BHADHN CC[C@@H]1CC[C@@H](C)N1Cc1nc(C)c(C)s1 ZINC000357525605 171037300 /nfs/dbraw/zinc/03/73/00/171037300.db2.gz DVUGZDUTRXZHRR-BXKDBHETSA-N 0 3 238.400 3.523 20 0 BHADHN CC[C@H]1CC[C@H](C)N1Cc1nc(C)c(C)s1 ZINC000357525606 397937467 /nfs/dbraw/zinc/93/74/67/397937467.db2.gz DVUGZDUTRXZHRR-CABZTGNLSA-N 0 3 238.400 3.523 20 0 BHADHN CC[C@@H]1CC[C@H](C)N1Cc1nc(C)c(C)s1 ZINC000357525608 171053521 /nfs/dbraw/zinc/05/35/21/171053521.db2.gz DVUGZDUTRXZHRR-JOYOIKCWSA-N 0 3 238.400 3.523 20 0 BHADHN CC[C@H]1CC[C@@H](C)N1Cc1nc(C)c(C)s1 ZINC000357525609 397937835 /nfs/dbraw/zinc/93/78/35/397937835.db2.gz DVUGZDUTRXZHRR-SKDRFNHKSA-N 0 3 238.400 3.523 20 0 BHADHN CC[C@H]1CC[C@@H](C)N1Cc1nc2ccccc2o1 ZINC000357550601 386805354 /nfs/dbraw/zinc/80/53/54/386805354.db2.gz GPGMZTALMWJNRH-NEPJUHHUSA-N 0 3 244.338 3.591 20 0 BHADHN CC[C@@H]1CC[C@H](C)N1Cc1nc2ccccc2o1 ZINC000357550603 171054712 /nfs/dbraw/zinc/05/47/12/171054712.db2.gz GPGMZTALMWJNRH-NWDGAFQWSA-N 0 3 244.338 3.591 20 0 BHADHN CC[C@H]1CC[C@H](C)N1Cc1nc2ccccc2o1 ZINC000357550604 386805278 /nfs/dbraw/zinc/80/52/78/386805278.db2.gz GPGMZTALMWJNRH-RYUDHWBXSA-N 0 3 244.338 3.591 20 0 BHADHN CC[C@@H]1CC[C@@H](C)N1Cc1nc2ccccc2o1 ZINC000357550605 171039308 /nfs/dbraw/zinc/03/93/08/171039308.db2.gz GPGMZTALMWJNRH-VXGBXAGGSA-N 0 3 244.338 3.591 20 0 BHADHN CC[C@@H]1CC[C@@H](C)N1Cc1nc(C)sc1C ZINC000357557230 171039196 /nfs/dbraw/zinc/03/91/96/171039196.db2.gz WVMKLZBJOLZXSQ-BXKDBHETSA-N 0 3 238.400 3.523 20 0 BHADHN CC[C@H]1CC[C@H](C)N1Cc1nc(C)sc1C ZINC000357557231 386806524 /nfs/dbraw/zinc/80/65/24/386806524.db2.gz WVMKLZBJOLZXSQ-CABZTGNLSA-N 0 3 238.400 3.523 20 0 BHADHN CC[C@@H]1CC[C@H](C)N1Cc1nc(C)sc1C ZINC000357557232 171053745 /nfs/dbraw/zinc/05/37/45/171053745.db2.gz WVMKLZBJOLZXSQ-JOYOIKCWSA-N 0 3 238.400 3.523 20 0 BHADHN CC[C@H]1CC[C@@H](C)N1Cc1nc(C)sc1C ZINC000357557233 386806130 /nfs/dbraw/zinc/80/61/30/386806130.db2.gz WVMKLZBJOLZXSQ-SKDRFNHKSA-N 0 3 238.400 3.523 20 0 BHADHN Cc1occc1CN(C)CCC1CCCC1 ZINC000357610745 386815154 /nfs/dbraw/zinc/81/51/54/386815154.db2.gz YEWLWPUAGUHKAB-UHFFFAOYSA-N 0 3 221.344 3.600 20 0 BHADHN CCC(C)(C)CCN(C)[C@H](C)c1cccnc1 ZINC000357611296 168275542 /nfs/dbraw/zinc/27/55/42/168275542.db2.gz FNODPXLVKPHQPX-CYBMUJFWSA-N 0 3 234.387 3.901 20 0 BHADHN CCC(C)(C)CCN(C)[C@@H](C)c1cccnc1 ZINC000357611298 168275400 /nfs/dbraw/zinc/27/54/00/168275400.db2.gz FNODPXLVKPHQPX-ZDUSSCGKSA-N 0 3 234.387 3.901 20 0 BHADHN Cc1cc([C@@H]2CCCN2CCC2CCCC2)on1 ZINC000357612061 178240392 /nfs/dbraw/zinc/24/03/92/178240392.db2.gz VFGKOKIKGWZNKF-AWEZNQCLSA-N 0 3 248.370 3.700 20 0 BHADHN Cc1cc([C@H]2CCCN2CCC2CCCC2)on1 ZINC000357612070 178267046 /nfs/dbraw/zinc/26/70/46/178267046.db2.gz VFGKOKIKGWZNKF-CQSZACIVSA-N 0 3 248.370 3.700 20 0 BHADHN CCC(C)(C)CCN(Cc1ccccn1)C1CC1 ZINC000357613712 168277164 /nfs/dbraw/zinc/27/71/64/168277164.db2.gz OSUKYWNFWFEQHT-UHFFFAOYSA-N 0 3 246.398 3.872 20 0 BHADHN Cc1ccc(CN(C)CCC2CCCC2)o1 ZINC000357675602 386824176 /nfs/dbraw/zinc/82/41/76/386824176.db2.gz OWYZQAZYQKAAOB-UHFFFAOYSA-N 0 3 221.344 3.600 20 0 BHADHN CC(F)(F)CCNCc1cccc(C2CC2)c1 ZINC000357704962 487916734 /nfs/dbraw/zinc/91/67/34/487916734.db2.gz FZCZZCDZDZKGHZ-UHFFFAOYSA-N 0 3 239.309 3.699 20 0 BHADHN c1ccc2c(c1)CN(CCC1CCCC1)C2 ZINC000357706232 386832309 /nfs/dbraw/zinc/83/23/09/386832309.db2.gz HTYHMDGVWURDLU-UHFFFAOYSA-N 0 3 215.340 3.583 20 0 BHADHN CC(F)(F)CCNCc1ccc(C2CC2)cc1 ZINC000357713793 388553825 /nfs/dbraw/zinc/55/38/25/388553825.db2.gz TZULZURTPCYGFP-UHFFFAOYSA-N 0 3 239.309 3.699 20 0 BHADHN CC(F)(F)CCNCc1coc2ccccc12 ZINC000357718031 388552546 /nfs/dbraw/zinc/55/25/46/388552546.db2.gz SXFAMSSTMDSUJT-UHFFFAOYSA-N 0 3 239.265 3.568 20 0 BHADHN CSc1ccc(CNCCC(C)(F)F)cc1 ZINC000357719532 384683428 /nfs/dbraw/zinc/68/34/28/384683428.db2.gz ZWXWSOOWOSFCTN-UHFFFAOYSA-N 0 3 245.338 3.543 20 0 BHADHN Cc1cccc(CN2CCC3(C2)CCCCC3)n1 ZINC000357765910 179074468 /nfs/dbraw/zinc/07/44/68/179074468.db2.gz SYAGJESREDQQPO-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN Cc1occc1CN[C@H]1CCc2cc(C)ccc21 ZINC000358008000 386878367 /nfs/dbraw/zinc/87/83/67/386878367.db2.gz AENKUXAAVZGJFF-INIZCTEOSA-N 0 3 241.334 3.674 20 0 BHADHN Cc1occc1CN[C@@H]1CCc2cc(C)ccc21 ZINC000358008002 386878899 /nfs/dbraw/zinc/87/88/99/386878899.db2.gz AENKUXAAVZGJFF-MRXNPFEDSA-N 0 3 241.334 3.674 20 0 BHADHN Cc1occc1CN[C@H]1c2ccccc2C[C@H]1C ZINC000358008022 386879674 /nfs/dbraw/zinc/87/96/74/386879674.db2.gz ANDSHAYRHOEDHZ-BDJLRTHQSA-N 0 3 241.334 3.611 20 0 BHADHN Cc1occc1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000358008025 386879461 /nfs/dbraw/zinc/87/94/61/386879461.db2.gz ANDSHAYRHOEDHZ-BZNIZROVSA-N 0 3 241.334 3.611 20 0 BHADHN Cc1occc1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000358008027 386878930 /nfs/dbraw/zinc/87/89/30/386878930.db2.gz ANDSHAYRHOEDHZ-MEDUHNTESA-N 0 3 241.334 3.611 20 0 BHADHN Cc1occc1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000358008030 386879782 /nfs/dbraw/zinc/87/97/82/386879782.db2.gz ANDSHAYRHOEDHZ-ZBEGNZNMSA-N 0 3 241.334 3.611 20 0 BHADHN CC[C@H](NC[C@@H]1C[C@H]1C)c1cc(F)ccc1F ZINC000358009340 386879340 /nfs/dbraw/zinc/87/93/40/386879340.db2.gz VMQMZQZFFUTDJV-BFVZDQMLSA-N 0 3 239.309 3.662 20 0 BHADHN CC[C@H](NC[C@@H]1C[C@@H]1C)c1cc(F)ccc1F ZINC000358009342 386878664 /nfs/dbraw/zinc/87/86/64/386878664.db2.gz VMQMZQZFFUTDJV-BHDSKKPTSA-N 0 3 239.309 3.662 20 0 BHADHN CC[C@H](NC[C@H]1C[C@@H]1C)c1cc(F)ccc1F ZINC000358009343 386879589 /nfs/dbraw/zinc/87/95/89/386879589.db2.gz VMQMZQZFFUTDJV-RBZYPMLTSA-N 0 3 239.309 3.662 20 0 BHADHN CC[C@H](NC[C@H]1C[C@H]1C)c1cc(F)ccc1F ZINC000358009345 386878597 /nfs/dbraw/zinc/87/85/97/386878597.db2.gz VMQMZQZFFUTDJV-RULNRJAQSA-N 0 3 239.309 3.662 20 0 BHADHN CSc1ccccc1CN1CC=C(C)CC1 ZINC000358030250 386881507 /nfs/dbraw/zinc/88/15/07/386881507.db2.gz GKSZGGCAGZETQM-UHFFFAOYSA-N 0 3 233.380 3.561 20 0 BHADHN CSc1ccccc1CN(C)CCC1CC1 ZINC000358035997 386883907 /nfs/dbraw/zinc/88/39/07/386883907.db2.gz ONUGTXPZEKCWNJ-UHFFFAOYSA-N 0 3 235.396 3.640 20 0 BHADHN CSc1ccccc1CN(C(C)C)C1CC1 ZINC000358044333 386882756 /nfs/dbraw/zinc/88/27/56/386882756.db2.gz GBKHSDIMZKRUNY-UHFFFAOYSA-N 0 3 235.396 3.781 20 0 BHADHN CC(C)Sc1ccc(CN2CCCC2)cc1 ZINC000358058167 167336605 /nfs/dbraw/zinc/33/66/05/167336605.db2.gz CHCUEMSHUYLMKB-UHFFFAOYSA-N 0 3 235.396 3.783 20 0 BHADHN CCCN(Cc1ccccc1SC)C1CC1 ZINC000358059364 169179903 /nfs/dbraw/zinc/17/99/03/169179903.db2.gz DZMADAKRWMAEPM-UHFFFAOYSA-N 0 3 235.396 3.783 20 0 BHADHN CSc1ccccc1CN1CCC12CCC2 ZINC000358061298 386886605 /nfs/dbraw/zinc/88/66/05/386886605.db2.gz HKEGDTATMYDLFW-UHFFFAOYSA-N 0 3 233.380 3.537 20 0 BHADHN CC(C)Sc1ccc(CN(C)C2CC2)cc1 ZINC000358071253 167337608 /nfs/dbraw/zinc/33/76/08/167337608.db2.gz WWBPKVMMPKYRMW-UHFFFAOYSA-N 0 3 235.396 3.781 20 0 BHADHN CCC1(CNCc2ccccn2)CCCCC1 ZINC000358168052 386904946 /nfs/dbraw/zinc/90/49/46/386904946.db2.gz PYFXLUVTVMNRRN-UHFFFAOYSA-N 0 3 232.371 3.532 20 0 BHADHN CC[C@@H](NCC1(C)CC1)c1cc(F)ccc1F ZINC000358183973 386908438 /nfs/dbraw/zinc/90/84/38/386908438.db2.gz FIWVIYQURIIXLJ-CYBMUJFWSA-N 0 3 239.309 3.806 20 0 BHADHN CC[C@H](NCC1(C)CC1)c1cc(F)ccc1F ZINC000358183974 386909848 /nfs/dbraw/zinc/90/98/48/386909848.db2.gz FIWVIYQURIIXLJ-ZDUSSCGKSA-N 0 3 239.309 3.806 20 0 BHADHN CC[C@H](NCCC1CC1)c1cc(F)ccc1F ZINC000358191347 386911042 /nfs/dbraw/zinc/91/10/42/386911042.db2.gz OXSCCSJRZUVEQB-AWEZNQCLSA-N 0 3 239.309 3.806 20 0 BHADHN CC[C@@H](NCCC1CC1)c1cc(F)ccc1F ZINC000358191350 386910905 /nfs/dbraw/zinc/91/09/05/386910905.db2.gz OXSCCSJRZUVEQB-CQSZACIVSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCC1(C)CC1)c1cc(F)c(F)c(F)c1 ZINC000358194151 384778862 /nfs/dbraw/zinc/77/88/62/384778862.db2.gz BHQADOCNUBLXGQ-MRVPVSSYSA-N 0 3 243.272 3.555 20 0 BHADHN C[C@H](NCC1(C)CC1)c1cc(F)c(F)c(F)c1 ZINC000358194155 384779768 /nfs/dbraw/zinc/77/97/68/384779768.db2.gz BHQADOCNUBLXGQ-QMMMGPOBSA-N 0 3 243.272 3.555 20 0 BHADHN CC[C@H](NCCC1CC1)c1ccc(F)cc1F ZINC000358194260 386911490 /nfs/dbraw/zinc/91/14/90/386911490.db2.gz BRKQGJIWGOHDBC-AWEZNQCLSA-N 0 3 239.309 3.806 20 0 BHADHN CC[C@@H](NCCC1CC1)c1ccc(F)cc1F ZINC000358194264 386911539 /nfs/dbraw/zinc/91/15/39/386911539.db2.gz BRKQGJIWGOHDBC-CQSZACIVSA-N 0 3 239.309 3.806 20 0 BHADHN CC[C@@H](NCC1(C)CC1)c1ccc(F)cc1F ZINC000358202102 386913778 /nfs/dbraw/zinc/91/37/78/386913778.db2.gz MBCPAEFGHQWVGU-CYBMUJFWSA-N 0 3 239.309 3.806 20 0 BHADHN CC[C@H](NCC1(C)CC1)c1ccc(F)cc1F ZINC000358202103 386912572 /nfs/dbraw/zinc/91/25/72/386912572.db2.gz MBCPAEFGHQWVGU-ZDUSSCGKSA-N 0 3 239.309 3.806 20 0 BHADHN CC[C@H](NCC1CCC1)c1cc(F)ccc1F ZINC000358223686 386915967 /nfs/dbraw/zinc/91/59/67/386915967.db2.gz OZNSTKRDWIOZLG-AWEZNQCLSA-N 0 3 239.309 3.806 20 0 BHADHN CC[C@@H](NCC1CCC1)c1cc(F)ccc1F ZINC000358223688 386915601 /nfs/dbraw/zinc/91/56/01/386915601.db2.gz OZNSTKRDWIOZLG-CQSZACIVSA-N 0 3 239.309 3.806 20 0 BHADHN Cc1ccsc1[C@@H](C)NCc1cncc(C)c1 ZINC000358364294 386941305 /nfs/dbraw/zinc/94/13/05/386941305.db2.gz HYVWMKBXNOKHPY-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccsc1[C@H](C)NCc1cncc(C)c1 ZINC000358364295 179672195 /nfs/dbraw/zinc/67/21/95/179672195.db2.gz HYVWMKBXNOKHPY-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CCc1cnccc1[C@@H](C)NCc1cccs1 ZINC000358515605 171927440 /nfs/dbraw/zinc/92/74/40/171927440.db2.gz ZQUFIOGZWOBKKW-LLVKDONJSA-N 0 3 246.379 3.556 20 0 BHADHN CCc1cnccc1[C@H](C)NCc1cccs1 ZINC000358515606 356870452 /nfs/dbraw/zinc/87/04/52/356870452.db2.gz ZQUFIOGZWOBKKW-NSHDSACASA-N 0 3 246.379 3.556 20 0 BHADHN CCc1cnccc1[C@@H](C)NCc1ccsc1 ZINC000358515714 356869975 /nfs/dbraw/zinc/86/99/75/356869975.db2.gz NHTBBUBQCVMVRY-LLVKDONJSA-N 0 3 246.379 3.556 20 0 BHADHN CCc1cnccc1[C@H](C)NCc1ccsc1 ZINC000358515715 356870669 /nfs/dbraw/zinc/87/06/69/356870669.db2.gz NHTBBUBQCVMVRY-NSHDSACASA-N 0 3 246.379 3.556 20 0 BHADHN CC(C)=CCN[C@H]1CCCOc2ccc(C)cc21 ZINC000358887387 387028899 /nfs/dbraw/zinc/02/88/99/387028899.db2.gz OPBUZLZYEBAYQH-HNNXBMFYSA-N 0 3 245.366 3.765 20 0 BHADHN CC(C)=CCN[C@@H]1CCCOc2ccc(C)cc21 ZINC000358887390 187215616 /nfs/dbraw/zinc/21/56/16/187215616.db2.gz OPBUZLZYEBAYQH-OAHLLOKOSA-N 0 3 245.366 3.765 20 0 BHADHN CC(C)=CCN[C@H]1CCCc2ccc(F)cc21 ZINC000358888050 387029207 /nfs/dbraw/zinc/02/92/07/387029207.db2.gz QMIAXYRSFCVZKJ-HNNXBMFYSA-N 0 3 233.330 3.759 20 0 BHADHN CC(C)=CCN[C@@H]1CCCc2ccc(F)cc21 ZINC000358888053 188068635 /nfs/dbraw/zinc/06/86/35/188068635.db2.gz QMIAXYRSFCVZKJ-OAHLLOKOSA-N 0 3 233.330 3.759 20 0 BHADHN CC[C@H](NCC=C(C)C)c1cccc(OC)c1 ZINC000358890473 387029448 /nfs/dbraw/zinc/02/94/48/387029448.db2.gz XIZZBVOKTIPIKM-HNNXBMFYSA-N 0 3 233.355 3.702 20 0 BHADHN CC[C@@H](NCC=C(C)C)c1cccc(OC)c1 ZINC000358890474 387028967 /nfs/dbraw/zinc/02/89/67/387028967.db2.gz XIZZBVOKTIPIKM-OAHLLOKOSA-N 0 3 233.355 3.702 20 0 BHADHN CC(C)=CCN[C@H]1CCCOc2cc(C)ccc21 ZINC000358890513 387029058 /nfs/dbraw/zinc/02/90/58/387029058.db2.gz XYJYNJMKUALQBQ-HNNXBMFYSA-N 0 3 245.366 3.765 20 0 BHADHN CC(C)=CCN[C@@H]1CCCOc2cc(C)ccc21 ZINC000358890514 387028529 /nfs/dbraw/zinc/02/85/29/387028529.db2.gz XYJYNJMKUALQBQ-OAHLLOKOSA-N 0 3 245.366 3.765 20 0 BHADHN CC(C)=CCN[C@H]1CCCc2cc(F)ccc21 ZINC000358896739 188068392 /nfs/dbraw/zinc/06/83/92/188068392.db2.gz CYFUUHFHKBKPEK-HNNXBMFYSA-N 0 3 233.330 3.759 20 0 BHADHN CC(C)=CCN[C@@H]1CCCc2cc(F)ccc21 ZINC000358896741 387029157 /nfs/dbraw/zinc/02/91/57/387029157.db2.gz CYFUUHFHKBKPEK-OAHLLOKOSA-N 0 3 233.330 3.759 20 0 BHADHN CC(C)=CCN[C@@H]1CC(C)(C)Cc2occc21 ZINC000358896797 387029769 /nfs/dbraw/zinc/02/97/69/387029769.db2.gz DBYHWVYQNLFPLR-CYBMUJFWSA-N 0 3 233.355 3.849 20 0 BHADHN CC(C)=CCN[C@H]1CC(C)(C)Cc2occc21 ZINC000358896800 188068467 /nfs/dbraw/zinc/06/84/67/188068467.db2.gz DBYHWVYQNLFPLR-ZDUSSCGKSA-N 0 3 233.355 3.849 20 0 BHADHN C[C@@H](NCC1(C(F)F)CC1)c1cccc(F)c1 ZINC000359000683 387043036 /nfs/dbraw/zinc/04/30/36/387043036.db2.gz KJFKQVFIYGASKI-SECBINFHSA-N 0 3 243.272 3.522 20 0 BHADHN C[C@H](NCC1(C(F)F)CC1)c1cccc(F)c1 ZINC000359000684 387043027 /nfs/dbraw/zinc/04/30/27/387043027.db2.gz KJFKQVFIYGASKI-VIFPVBQESA-N 0 3 243.272 3.522 20 0 BHADHN C[C@@H](NCC1(C(F)F)CC1)c1ccccc1F ZINC000359001108 387043494 /nfs/dbraw/zinc/04/34/94/387043494.db2.gz KQFDOVLCTMLRTO-SECBINFHSA-N 0 3 243.272 3.522 20 0 BHADHN C[C@H](NCC1(C(F)F)CC1)c1ccccc1F ZINC000359001109 387043176 /nfs/dbraw/zinc/04/31/76/387043176.db2.gz KQFDOVLCTMLRTO-VIFPVBQESA-N 0 3 243.272 3.522 20 0 BHADHN CCc1ccc([C@@H](C)NCC2(C(F)F)CC2)o1 ZINC000359001630 387043409 /nfs/dbraw/zinc/04/34/09/387043409.db2.gz MTRWUHORZFULAH-SECBINFHSA-N 0 3 243.297 3.538 20 0 BHADHN CCc1ccc([C@H](C)NCC2(C(F)F)CC2)o1 ZINC000359001631 171839189 /nfs/dbraw/zinc/83/91/89/171839189.db2.gz MTRWUHORZFULAH-VIFPVBQESA-N 0 3 243.297 3.538 20 0 BHADHN C[C@H](NCCC1(C)CC1)c1cccc(F)c1F ZINC000359003330 387043659 /nfs/dbraw/zinc/04/36/59/387043659.db2.gz NONJIDMJZQQZSP-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCCC1(C)CC1)c1cccc(F)c1F ZINC000359003331 387043289 /nfs/dbraw/zinc/04/32/89/387043289.db2.gz NONJIDMJZQQZSP-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN C[C@H](NCCC1(C)CC1)c1ccc(F)cc1F ZINC000359003422 387043783 /nfs/dbraw/zinc/04/37/83/387043783.db2.gz OAPFRJVDYSQJCQ-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCCC1(C)CC1)c1ccc(F)cc1F ZINC000359003425 387043135 /nfs/dbraw/zinc/04/31/35/387043135.db2.gz OAPFRJVDYSQJCQ-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN Cc1cc([C@@H](C)NCC2(C(F)F)CC2)c(C)o1 ZINC000359005441 178221713 /nfs/dbraw/zinc/22/17/13/178221713.db2.gz WELSFGCJECCRNG-SECBINFHSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@H](C)NCC2(C(F)F)CC2)c(C)o1 ZINC000359005442 178246037 /nfs/dbraw/zinc/24/60/37/178246037.db2.gz WELSFGCJECCRNG-VIFPVBQESA-N 0 3 243.297 3.592 20 0 BHADHN C[C@H](NCCC1(C)CC1)c1cc(F)ccc1F ZINC000359006585 487784036 /nfs/dbraw/zinc/78/40/36/487784036.db2.gz XZQFLHDGURXAAF-JTQLQIEISA-N 0 3 239.309 3.806 20 0 BHADHN C[C@@H](NCCC1(C)CC1)c1cc(F)ccc1F ZINC000359006586 384411953 /nfs/dbraw/zinc/41/19/53/384411953.db2.gz XZQFLHDGURXAAF-SNVBAGLBSA-N 0 3 239.309 3.806 20 0 BHADHN Cc1occc1CN[C@H](c1cccs1)C1CC1 ZINC000359304417 387082508 /nfs/dbraw/zinc/08/25/08/387082508.db2.gz GXPNNHMANRMVNI-AWEZNQCLSA-N 0 3 247.363 3.890 20 0 BHADHN Cc1occc1CN[C@@H](c1cccs1)C1CC1 ZINC000359304426 387082802 /nfs/dbraw/zinc/08/28/02/387082802.db2.gz GXPNNHMANRMVNI-CQSZACIVSA-N 0 3 247.363 3.890 20 0 BHADHN COc1ccc2oc([C@H](C)NC3CC3)c(C)c2c1 ZINC000359376750 175230811 /nfs/dbraw/zinc/23/08/11/175230811.db2.gz KVRLNYPCFZDKBG-JTQLQIEISA-N 0 3 245.322 3.563 20 0 BHADHN COc1ccc2oc([C@@H](C)NC3CC3)c(C)c2c1 ZINC000359376751 175231525 /nfs/dbraw/zinc/23/15/25/175231525.db2.gz KVRLNYPCFZDKBG-SNVBAGLBSA-N 0 3 245.322 3.563 20 0 BHADHN Cc1cnc([C@H](C)N2CC[C@@]3(CC[C@H](C)C3)C2)o1 ZINC000359552690 387121302 /nfs/dbraw/zinc/12/13/02/387121302.db2.gz GNEHWECCFWQEOX-CORIIIEPSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cnc([C@H](C)N2CC[C@@]3(CC[C@@H](C)C3)C2)o1 ZINC000359552691 387121654 /nfs/dbraw/zinc/12/16/54/387121654.db2.gz GNEHWECCFWQEOX-OSAQELSMSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cnc([C@H](C)N2CC[C@]3(CC[C@H](C)C3)C2)o1 ZINC000359552692 387121728 /nfs/dbraw/zinc/12/17/28/387121728.db2.gz GNEHWECCFWQEOX-WHOFXGATSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cnc([C@H](C)N2CC[C@]3(CC[C@@H](C)C3)C2)o1 ZINC000359552693 387122123 /nfs/dbraw/zinc/12/21/23/387122123.db2.gz GNEHWECCFWQEOX-ZLDLUXBVSA-N 0 3 248.370 3.556 20 0 BHADHN CC1=CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000359575210 168116276 /nfs/dbraw/zinc/11/62/76/168116276.db2.gz COKVRYSSLSTDHX-UHFFFAOYSA-N 0 3 237.293 3.776 20 0 BHADHN FC(F)c1ccc(CN2CCC23CCC3)cc1 ZINC000359600094 384290149 /nfs/dbraw/zinc/29/01/49/384290149.db2.gz MLOPVCVGIIQIIP-UHFFFAOYSA-N 0 3 237.293 3.753 20 0 BHADHN CC(C)=CCNCc1cc2cc(F)ccc2o1 ZINC000359702571 387149581 /nfs/dbraw/zinc/14/95/81/387149581.db2.gz ZPXWCNXSTKMKOU-UHFFFAOYSA-N 0 3 233.286 3.628 20 0 BHADHN Fc1ccccc1CN(CCC1CC1)C1CC1 ZINC000359854751 181012201 /nfs/dbraw/zinc/01/22/01/181012201.db2.gz QMVJTBDJPAKISV-UHFFFAOYSA-N 0 3 233.330 3.590 20 0 BHADHN CC[C@@]1(C)CCCN(Cc2ccc(C)nc2C)C1 ZINC000359859632 171199352 /nfs/dbraw/zinc/19/93/52/171199352.db2.gz USZGKUQYFYIHDG-INIZCTEOSA-N 0 3 246.398 3.711 20 0 BHADHN CC[C@]1(C)CCCN(Cc2ccc(C)nc2C)C1 ZINC000359859636 397959534 /nfs/dbraw/zinc/95/95/34/397959534.db2.gz USZGKUQYFYIHDG-MRXNPFEDSA-N 0 3 246.398 3.711 20 0 BHADHN CC[C@H](C)C[C@H](CC)NCc1ccc(F)cn1 ZINC000359982461 171299263 /nfs/dbraw/zinc/29/92/63/171299263.db2.gz XDBGETUBNBUTFB-AAEUAGOBSA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@@H](C)C[C@@H](CC)NCc1ccc(F)cn1 ZINC000359982462 490131593 /nfs/dbraw/zinc/13/15/93/490131593.db2.gz XDBGETUBNBUTFB-DGCLKSJQSA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@H](C[C@@H](C)CC)NCc1ccc(F)cn1 ZINC000359982463 171296456 /nfs/dbraw/zinc/29/64/56/171296456.db2.gz XDBGETUBNBUTFB-WCQYABFASA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@@H](C)C[C@H](CC)NCc1ccc(F)cn1 ZINC000359982464 490131947 /nfs/dbraw/zinc/13/19/47/490131947.db2.gz XDBGETUBNBUTFB-YPMHNXCESA-N 0 3 238.350 3.525 20 0 BHADHN CCC1(C)CCN(Cc2ccc(C)nc2C)CC1 ZINC000360074298 397962495 /nfs/dbraw/zinc/96/24/95/397962495.db2.gz YYOVIMOENFXCKT-UHFFFAOYSA-N 0 3 246.398 3.711 20 0 BHADHN C[C@H](NCc1ccoc1)c1cc2c(s1)CCC2 ZINC000360236324 387247975 /nfs/dbraw/zinc/24/79/75/387247975.db2.gz ZZDLKDSSANNWFQ-JTQLQIEISA-N 0 3 247.363 3.681 20 0 BHADHN C[C@@H](NCc1ccoc1)c1cc2c(s1)CCC2 ZINC000360236325 387247575 /nfs/dbraw/zinc/24/75/75/387247575.db2.gz ZZDLKDSSANNWFQ-SNVBAGLBSA-N 0 3 247.363 3.681 20 0 BHADHN CCc1ccc(CCN(C)Cc2ccoc2)cc1 ZINC000360287016 387257113 /nfs/dbraw/zinc/25/71/13/387257113.db2.gz QVYSEAYMGVQFQH-UHFFFAOYSA-N 0 3 243.350 3.517 20 0 BHADHN Cc1ccc(CN2CC[C@@H](C)C(C)(C)C2)c(C)n1 ZINC000360329947 387263656 /nfs/dbraw/zinc/26/36/56/387263656.db2.gz QELJCYHDONAABM-GFCCVEGCSA-N 0 3 246.398 3.566 20 0 BHADHN Cc1ccc(CN2CC[C@H](C)C(C)(C)C2)c(C)n1 ZINC000360329948 387265357 /nfs/dbraw/zinc/26/53/57/387265357.db2.gz QELJCYHDONAABM-LBPRGKRZSA-N 0 3 246.398 3.566 20 0 BHADHN CC[C@H]1CCCC[C@@H]1NCc1ncc(C2CC2)o1 ZINC000360330032 387266566 /nfs/dbraw/zinc/26/65/66/387266566.db2.gz RBRDMHFHRQOTQK-AAEUAGOBSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H]1CCCC[C@H]1NCc1ncc(C2CC2)o1 ZINC000360330033 356905733 /nfs/dbraw/zinc/90/57/33/356905733.db2.gz RBRDMHFHRQOTQK-DGCLKSJQSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H]1CCCC[C@H]1NCc1ncc(C2CC2)o1 ZINC000360330034 387265185 /nfs/dbraw/zinc/26/51/85/387265185.db2.gz RBRDMHFHRQOTQK-WCQYABFASA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1NCc1ncc(C2CC2)o1 ZINC000360330035 356906077 /nfs/dbraw/zinc/90/60/77/356906077.db2.gz RBRDMHFHRQOTQK-YPMHNXCESA-N 0 3 248.370 3.610 20 0 BHADHN c1ccc(CN2Cc3ccccc3C3(CC3)C2)cc1 ZINC000360726457 387341759 /nfs/dbraw/zinc/34/17/59/387341759.db2.gz QULFEFLRCBFECK-UHFFFAOYSA-N 0 3 249.357 3.734 20 0 BHADHN C[C@@H](Cc1ccccc1)CN(C)Cc1ccoc1 ZINC000360882336 387361720 /nfs/dbraw/zinc/36/17/20/387361720.db2.gz DEQJJMIQEITBFW-AWEZNQCLSA-N 0 3 243.350 3.590 20 0 BHADHN C[C@H](Cc1ccccc1)CN(C)Cc1ccoc1 ZINC000360882337 387362482 /nfs/dbraw/zinc/36/24/82/387362482.db2.gz DEQJJMIQEITBFW-CQSZACIVSA-N 0 3 243.350 3.590 20 0 BHADHN Cc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cn1 ZINC000360963434 487609015 /nfs/dbraw/zinc/60/90/15/487609015.db2.gz BVAYUYOARIXLOP-HOTGVXAUSA-N 0 3 244.382 3.545 20 0 BHADHN CCC[C@@]1(C)CCCN(Cc2ccc(C)nc2)C1 ZINC000360967255 387378392 /nfs/dbraw/zinc/37/83/92/387378392.db2.gz WNZDRRIQQUPZAE-INIZCTEOSA-N 0 3 246.398 3.792 20 0 BHADHN CCC[C@]1(C)CCCN(Cc2ccc(C)nc2)C1 ZINC000360967256 387377748 /nfs/dbraw/zinc/37/77/48/387377748.db2.gz WNZDRRIQQUPZAE-MRXNPFEDSA-N 0 3 246.398 3.792 20 0 BHADHN Cc1ccc(CN2CCC(C(C)(C)C)CC2)cn1 ZINC000360967259 387377009 /nfs/dbraw/zinc/37/70/09/387377009.db2.gz WPRMGRDJJFDUOF-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN2CCC[C@@H](CC(C)C)C2)cn1 ZINC000360975287 387377960 /nfs/dbraw/zinc/37/79/60/387377960.db2.gz NQPAWVJESAZYLV-HNNXBMFYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN2CCC[C@H](CC(C)C)C2)cn1 ZINC000360975288 387378080 /nfs/dbraw/zinc/37/80/80/387378080.db2.gz NQPAWVJESAZYLV-OAHLLOKOSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN2CCC[C@H](C(C)C)CC2)cn1 ZINC000360984013 387382318 /nfs/dbraw/zinc/38/23/18/387382318.db2.gz PMTNKACMMNVVRO-INIZCTEOSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN2CCC[C@@H](C(C)C)CC2)cn1 ZINC000360984014 387382178 /nfs/dbraw/zinc/38/21/78/387382178.db2.gz PMTNKACMMNVVRO-MRXNPFEDSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN(C)CCC2CCCCC2)cn1 ZINC000360985754 187381936 /nfs/dbraw/zinc/38/19/36/187381936.db2.gz XPOZSAKEMDCDFB-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CCc1ncc(CN(CC)CC(C)(C)C)s1 ZINC000361008237 188243353 /nfs/dbraw/zinc/24/33/53/188243353.db2.gz DGLZTOQWRLZOJP-UHFFFAOYSA-N 0 3 240.416 3.574 20 0 BHADHN Cc1ccc(CN(C)CCCc2ccsc2)o1 ZINC000361019705 387389207 /nfs/dbraw/zinc/38/92/07/387389207.db2.gz BQGHBABILZWLLU-UHFFFAOYSA-N 0 3 249.379 3.714 20 0 BHADHN Cc1occc1CN(C)CCCc1ccsc1 ZINC000361020914 385512774 /nfs/dbraw/zinc/51/27/74/385512774.db2.gz RGSYUTOZIOORCP-UHFFFAOYSA-N 0 3 249.379 3.714 20 0 BHADHN C[C@H](c1ccco1)N(C)CCCc1ccsc1 ZINC000361021943 177048069 /nfs/dbraw/zinc/04/80/69/177048069.db2.gz ZTTYBMJHBJYVQH-GFCCVEGCSA-N 0 3 249.379 3.967 20 0 BHADHN C[C@@H](c1ccco1)N(C)CCCc1ccsc1 ZINC000361021944 176031735 /nfs/dbraw/zinc/03/17/35/176031735.db2.gz ZTTYBMJHBJYVQH-LBPRGKRZSA-N 0 3 249.379 3.967 20 0 BHADHN C[C@H]1CCCCN(Cc2ccc(Cl)o2)C1 ZINC000361037717 177071548 /nfs/dbraw/zinc/07/15/48/177071548.db2.gz MRGOYIJZTWWCSM-JTQLQIEISA-N 0 3 227.735 3.555 20 0 BHADHN C[C@@H]1CCCCN(Cc2ccc(Cl)o2)C1 ZINC000361037722 176065140 /nfs/dbraw/zinc/06/51/40/176065140.db2.gz MRGOYIJZTWWCSM-SNVBAGLBSA-N 0 3 227.735 3.555 20 0 BHADHN Cc1ccc2c(c1)CN(CC1(C)CCC1)C2 ZINC000361111647 387400928 /nfs/dbraw/zinc/40/09/28/387400928.db2.gz ULOOXXPPRVATKN-UHFFFAOYSA-N 0 3 215.340 3.501 20 0 BHADHN CC1=C(C)CN(Cc2scnc2C2CC2)CC1 ZINC000361128244 538868265 /nfs/dbraw/zinc/86/82/65/538868265.db2.gz RPKPROHMMVFCES-UHFFFAOYSA-N 0 3 248.395 3.563 20 0 BHADHN CCN(Cc1ccc(Cl)cc1OC)C(C)C ZINC000361251294 356923432 /nfs/dbraw/zinc/92/34/32/356923432.db2.gz WHQKSJORJAVTLY-UHFFFAOYSA-N 0 3 241.762 3.579 20 0 BHADHN Cc1occc1CN(C)[C@H]1C[C@@H]1c1ccccc1 ZINC000361290071 384355797 /nfs/dbraw/zinc/35/57/97/384355797.db2.gz RSMVARHAWDQWSR-CVEARBPZSA-N 0 3 241.334 3.576 20 0 BHADHN Cc1occc1CN(C)[C@H]1C[C@H]1c1ccccc1 ZINC000361290076 384353574 /nfs/dbraw/zinc/35/35/74/384353574.db2.gz RSMVARHAWDQWSR-HOTGVXAUSA-N 0 3 241.334 3.576 20 0 BHADHN Cc1occc1CN(C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000361290083 384354179 /nfs/dbraw/zinc/35/41/79/384354179.db2.gz RSMVARHAWDQWSR-HZPDHXFCSA-N 0 3 241.334 3.576 20 0 BHADHN Cc1occc1CN(C)[C@@H]1C[C@H]1c1ccccc1 ZINC000361290087 384355179 /nfs/dbraw/zinc/35/51/79/384355179.db2.gz RSMVARHAWDQWSR-JKSUJKDBSA-N 0 3 241.334 3.576 20 0 BHADHN CC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000361316047 168188138 /nfs/dbraw/zinc/18/81/38/168188138.db2.gz OBYSCGCDCLQPTH-HNNXBMFYSA-N 0 3 233.330 3.545 20 0 BHADHN CC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000361316051 168186142 /nfs/dbraw/zinc/18/61/42/168186142.db2.gz OBYSCGCDCLQPTH-OAHLLOKOSA-N 0 3 233.330 3.545 20 0 BHADHN CCC(C)(C)CCN(C)Cc1cnccc1C ZINC000361422777 168276860 /nfs/dbraw/zinc/27/68/60/168276860.db2.gz PCACTEPKQRGTRL-UHFFFAOYSA-N 0 3 234.387 3.648 20 0 BHADHN Cc1ccncc1CN(C)CCCC1CCCC1 ZINC000361425547 187382136 /nfs/dbraw/zinc/38/21/36/187382136.db2.gz NVGVSCRYBUJHSN-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CC[C@H]1CCCN1Cc1ccsc1Cl ZINC000361551929 387486647 /nfs/dbraw/zinc/48/66/47/387486647.db2.gz XTUQVILHXCDITF-JTQLQIEISA-N 0 3 229.776 3.776 20 0 BHADHN CC[C@@H]1CCCN1Cc1ccsc1Cl ZINC000361551930 356932723 /nfs/dbraw/zinc/93/27/23/356932723.db2.gz XTUQVILHXCDITF-SNVBAGLBSA-N 0 3 229.776 3.776 20 0 BHADHN CC1(C)CCCN1Cc1ccsc1Cl ZINC000361552245 356932553 /nfs/dbraw/zinc/93/25/53/356932553.db2.gz KBXMNAWUIAFCRN-UHFFFAOYSA-N 0 3 229.776 3.776 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1ccsc1Cl ZINC000361556549 177187240 /nfs/dbraw/zinc/18/72/40/177187240.db2.gz IGRGRBPGJTUKLB-DTORHVGOSA-N 0 3 229.776 3.774 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1ccsc1Cl ZINC000361556550 177200245 /nfs/dbraw/zinc/20/02/45/177200245.db2.gz IGRGRBPGJTUKLB-IUCAKERBSA-N 0 3 229.776 3.774 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1ccsc1Cl ZINC000361556551 176200490 /nfs/dbraw/zinc/20/04/90/176200490.db2.gz IGRGRBPGJTUKLB-RKDXNWHRSA-N 0 3 229.776 3.774 20 0 BHADHN C[C@@H]1CCN(Cc2ccsc2Cl)[C@H]1C ZINC000361575408 387500131 /nfs/dbraw/zinc/50/01/31/387500131.db2.gz BMLXESIHNZXKKS-BDAKNGLRSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1ccsc1Cl ZINC000361575410 177166649 /nfs/dbraw/zinc/16/66/49/177166649.db2.gz BMLXESIHNZXKKS-DTWKUNHWSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H]1CCN(Cc2ccsc2Cl)[C@H]1C ZINC000361575412 177167526 /nfs/dbraw/zinc/16/75/26/177167526.db2.gz BMLXESIHNZXKKS-IUCAKERBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1CCN(Cc2ccsc2Cl)[C@@H]1C ZINC000361575413 176177591 /nfs/dbraw/zinc/17/75/91/176177591.db2.gz BMLXESIHNZXKKS-RKDXNWHRSA-N 0 3 229.776 3.632 20 0 BHADHN CC/C=C\CCN1Cc2ccc(C)cc2C1 ZINC000361584309 387502859 /nfs/dbraw/zinc/50/28/59/387502859.db2.gz DWROASGOVRGPMY-PLNGDYQASA-N 0 3 215.340 3.667 20 0 BHADHN CC/C=C/CCN1Cc2ccc(C)cc2C1 ZINC000361584310 387500604 /nfs/dbraw/zinc/50/06/04/387500604.db2.gz DWROASGOVRGPMY-SNAWJCMRSA-N 0 3 215.340 3.667 20 0 BHADHN CCN(CCCF)Cc1ccc(Cl)cc1 ZINC000361637527 387512873 /nfs/dbraw/zinc/51/28/73/387512873.db2.gz KKVQGWGMZMYYBP-UHFFFAOYSA-N 0 3 229.726 3.522 20 0 BHADHN CCCC1CCC(N(C)Cc2ccccn2)CC1 ZINC000361642252 387516291 /nfs/dbraw/zinc/51/62/91/387516291.db2.gz IHFPXQOMYLVFJG-UHFFFAOYSA-N 0 3 246.398 3.872 20 0 BHADHN CN(CCCC1CCCC1)Cc1ccoc1 ZINC000361645871 387516600 /nfs/dbraw/zinc/51/66/00/387516600.db2.gz TZQIVASOBBXDTD-UHFFFAOYSA-N 0 3 221.344 3.682 20 0 BHADHN CCN(Cc1cc(OC)ccc1Cl)C(C)C ZINC000361691296 356936467 /nfs/dbraw/zinc/93/64/67/356936467.db2.gz CIIDNNUTPXLJTN-UHFFFAOYSA-N 0 3 241.762 3.579 20 0 BHADHN Cc1ccc(CC[C@H](C)N[C@@H](C)c2ccco2)o1 ZINC000361714111 387525519 /nfs/dbraw/zinc/52/55/19/387525519.db2.gz NBULHFKFHLCVKU-AAEUAGOBSA-N 0 3 247.338 3.853 20 0 BHADHN Cc1ccc(CC[C@@H](C)N[C@H](C)c2ccco2)o1 ZINC000361714112 387525333 /nfs/dbraw/zinc/52/53/33/387525333.db2.gz NBULHFKFHLCVKU-DGCLKSJQSA-N 0 3 247.338 3.853 20 0 BHADHN Cc1ccc(CC[C@H](C)N[C@H](C)c2ccco2)o1 ZINC000361714113 387524739 /nfs/dbraw/zinc/52/47/39/387524739.db2.gz NBULHFKFHLCVKU-WCQYABFASA-N 0 3 247.338 3.853 20 0 BHADHN Cc1ccc(CC[C@@H](C)N[C@@H](C)c2ccco2)o1 ZINC000361714114 188071816 /nfs/dbraw/zinc/07/18/16/188071816.db2.gz NBULHFKFHLCVKU-YPMHNXCESA-N 0 3 247.338 3.853 20 0 BHADHN Cc1ccc2c(c1)CCN(Cc1cccs1)C2 ZINC000361735673 187383233 /nfs/dbraw/zinc/38/32/33/187383233.db2.gz TXAQVZSGHJXOJF-UHFFFAOYSA-N 0 3 243.375 3.615 20 0 BHADHN c1csc(CN2CC[C@H]2c2ccccc2)c1 ZINC000361831338 387540411 /nfs/dbraw/zinc/54/04/11/387540411.db2.gz VPBSZRIGYAVEFM-AWEZNQCLSA-N 0 3 229.348 3.695 20 0 BHADHN c1csc(CN2CC[C@@H]2c2ccccc2)c1 ZINC000361831339 387540433 /nfs/dbraw/zinc/54/04/33/387540433.db2.gz VPBSZRIGYAVEFM-CQSZACIVSA-N 0 3 229.348 3.695 20 0 BHADHN c1oc2ccccc2c1CN1CC2(C1)CCCC2 ZINC000362307786 387595225 /nfs/dbraw/zinc/59/52/25/387595225.db2.gz AKJJSGWCIQVXOI-UHFFFAOYSA-N 0 3 241.334 3.809 20 0 BHADHN c1cc2cccc(CN3CC4(C3)CCCC4)c2[nH]1 ZINC000362323923 183339030 /nfs/dbraw/zinc/33/90/30/183339030.db2.gz OEYHPASHUQKYDH-UHFFFAOYSA-N 0 3 240.350 3.544 20 0 BHADHN CC[C@@]1(C)CCCN([C@H](C)c2cccnc2)C1 ZINC000362384495 171199922 /nfs/dbraw/zinc/19/99/22/171199922.db2.gz GQASPILYKRYDMZ-HIFRSBDPSA-N 0 3 232.371 3.655 20 0 BHADHN CC[C@]1(C)CCCN([C@H](C)c2cccnc2)C1 ZINC000362384496 387606499 /nfs/dbraw/zinc/60/64/99/387606499.db2.gz GQASPILYKRYDMZ-UKRRQHHQSA-N 0 3 232.371 3.655 20 0 BHADHN CN(Cc1ccco1)C1CC(c2ccccc2)C1 ZINC000362385639 387605583 /nfs/dbraw/zinc/60/55/83/387605583.db2.gz DGNIQXFTNKOSKX-UHFFFAOYSA-N 0 3 241.334 3.658 20 0 BHADHN CCC[C@@]1(C)CCCN(Cc2cccc(C)n2)C1 ZINC000362446964 387614229 /nfs/dbraw/zinc/61/42/29/387614229.db2.gz JGPMHUNWXLORIP-INIZCTEOSA-N 0 3 246.398 3.792 20 0 BHADHN CCC[C@]1(C)CCCN(Cc2cccc(C)n2)C1 ZINC000362446965 387614332 /nfs/dbraw/zinc/61/43/32/387614332.db2.gz JGPMHUNWXLORIP-MRXNPFEDSA-N 0 3 246.398 3.792 20 0 BHADHN CSCCCN(C)[C@H](C)c1cccc(F)c1 ZINC000362465960 387616131 /nfs/dbraw/zinc/61/61/31/387616131.db2.gz WTXNHTMCWFRLQG-LLVKDONJSA-N 0 3 241.375 3.572 20 0 BHADHN CSCCCN(C)[C@@H](C)c1cccc(F)c1 ZINC000362465962 387615732 /nfs/dbraw/zinc/61/57/32/387615732.db2.gz WTXNHTMCWFRLQG-NSHDSACASA-N 0 3 241.375 3.572 20 0 BHADHN CCC1(CC)CCN(Cc2ccc(C)cn2)CC1 ZINC000362507303 387620299 /nfs/dbraw/zinc/62/02/99/387620299.db2.gz DRRDECIBIOFERY-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CCC1(CC)CCN(Cc2ccc(C)nc2)CC1 ZINC000362509240 387623521 /nfs/dbraw/zinc/62/35/21/387623521.db2.gz IJXLRSACNXHLIH-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CCC1(CC)CCN(Cc2ccco2)CC1 ZINC000362512338 387622998 /nfs/dbraw/zinc/62/29/98/387622998.db2.gz QHVRHUMOHKQRRF-UHFFFAOYSA-N 0 3 221.344 3.682 20 0 BHADHN CC(C)N1CCC(c2c(F)cccc2F)CC1 ZINC000362578436 387633845 /nfs/dbraw/zinc/63/38/45/387633845.db2.gz DYKQKQLHQYDDEU-UHFFFAOYSA-N 0 3 239.309 3.553 20 0 BHADHN CCCN1CCC(c2c(F)cccc2F)CC1 ZINC000362588829 169191318 /nfs/dbraw/zinc/19/13/18/169191318.db2.gz MGYZPKUATILFEJ-UHFFFAOYSA-N 0 3 239.309 3.554 20 0 BHADHN CCC1(CC)CCN(Cc2cccc(C)n2)CC1 ZINC000362597467 387637737 /nfs/dbraw/zinc/63/77/37/387637737.db2.gz XTWKBVHCCNVIFM-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN Cc1cc(N2CCC=C(F)C2)c2ccccc2n1 ZINC000362642022 132281622 /nfs/dbraw/zinc/28/16/22/132281622.db2.gz GTBAAABDUWMGGH-UHFFFAOYSA-N 0 3 242.297 3.607 20 0 BHADHN Cc1ccc2nccc(N3CCC=C(F)C3)c2c1 ZINC000362649272 132281885 /nfs/dbraw/zinc/28/18/85/132281885.db2.gz PKWSOCAIGYOEPJ-UHFFFAOYSA-N 0 3 242.297 3.607 20 0 BHADHN CCCCC[C@@H]1CCCN1Cc1ncc(C)o1 ZINC000362955458 387680595 /nfs/dbraw/zinc/68/05/95/387680595.db2.gz QUZVMGKQQPZUDK-CYBMUJFWSA-N 0 3 236.359 3.528 20 0 BHADHN CCCCC[C@H]1CCCN1Cc1ncc(C)o1 ZINC000362955459 387679402 /nfs/dbraw/zinc/67/94/02/387679402.db2.gz QUZVMGKQQPZUDK-ZDUSSCGKSA-N 0 3 236.359 3.528 20 0 BHADHN Cc1cc([C@H]2CCCN2CCC(C)(C)C)no1 ZINC000362987765 178266734 /nfs/dbraw/zinc/26/67/34/178266734.db2.gz ZMUPBHJQFLGZIH-CYBMUJFWSA-N 0 3 236.359 3.556 20 0 BHADHN Cc1cc([C@@H]2CCCN2CCC(C)(C)C)no1 ZINC000362987766 178240797 /nfs/dbraw/zinc/24/07/97/178240797.db2.gz ZMUPBHJQFLGZIH-ZDUSSCGKSA-N 0 3 236.359 3.556 20 0 BHADHN Cc1cc([C@@H]2CCCN2CCC2CCCC2)no1 ZINC000363254518 178241229 /nfs/dbraw/zinc/24/12/29/178241229.db2.gz HHFZNSFFRHTODR-HNNXBMFYSA-N 0 3 248.370 3.700 20 0 BHADHN Cc1cc([C@H]2CCCN2CCC2CCCC2)no1 ZINC000363254519 178266597 /nfs/dbraw/zinc/26/65/97/178266597.db2.gz HHFZNSFFRHTODR-OAHLLOKOSA-N 0 3 248.370 3.700 20 0 BHADHN Cc1cnc([C@H]2CCCCN2CC(C)C)s1 ZINC000363472550 384585021 /nfs/dbraw/zinc/58/50/21/384585021.db2.gz RJOAOHALQOWIKI-GFCCVEGCSA-N 0 3 238.400 3.635 20 0 BHADHN Cc1cnc([C@@H]2CCCCN2CC(C)C)s1 ZINC000363472551 384586959 /nfs/dbraw/zinc/58/69/59/384586959.db2.gz RJOAOHALQOWIKI-LBPRGKRZSA-N 0 3 238.400 3.635 20 0 BHADHN CC(C)=CCN1CCC(c2ccc(C)nc2)CC1 ZINC000363669181 384675185 /nfs/dbraw/zinc/67/51/85/384675185.db2.gz CVXDNMGIPFOUQX-UHFFFAOYSA-N 0 3 244.382 3.536 20 0 BHADHN c1c[nH]c([C@@H]2CCCN2CC2CCCCCC2)n1 ZINC000363993704 183326900 /nfs/dbraw/zinc/32/69/00/183326900.db2.gz ARSFALIIHVFHHZ-AWEZNQCLSA-N 0 3 247.386 3.517 20 0 BHADHN c1c[nH]c([C@H]2CCCN2CC2CCCCCC2)n1 ZINC000363993706 183326979 /nfs/dbraw/zinc/32/69/79/183326979.db2.gz ARSFALIIHVFHHZ-CQSZACIVSA-N 0 3 247.386 3.517 20 0 BHADHN CC1(C)CC[C@@H](N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000364853023 347570405 /nfs/dbraw/zinc/57/04/05/347570405.db2.gz FBLCPRVCLFHNCA-CHWSQXEVSA-N 0 3 247.386 3.515 20 0 BHADHN CC1(C)CC[C@@H](N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000364853024 347570351 /nfs/dbraw/zinc/57/03/51/347570351.db2.gz FBLCPRVCLFHNCA-OLZOCXBDSA-N 0 3 247.386 3.515 20 0 BHADHN CC1(C)CC[C@H](N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000364853025 385528675 /nfs/dbraw/zinc/52/86/75/385528675.db2.gz FBLCPRVCLFHNCA-QWHCGFSZSA-N 0 3 247.386 3.515 20 0 BHADHN CC1(C)CC[C@H](N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000364853026 188354579 /nfs/dbraw/zinc/35/45/79/188354579.db2.gz FBLCPRVCLFHNCA-STQMWFEESA-N 0 3 247.386 3.515 20 0 BHADHN Fc1ccc(CN2CCCC23CCCCC3)nc1 ZINC000364958227 385547874 /nfs/dbraw/zinc/54/78/74/385547874.db2.gz XCPULHAPKMNFOR-UHFFFAOYSA-N 0 3 248.345 3.519 20 0 BHADHN Cc1cc([C@H]2CCCN2[C@H]2CCC(C)(C)C2)no1 ZINC000365043859 178266288 /nfs/dbraw/zinc/26/62/88/178266288.db2.gz MEKSJVWZNBGOEF-GXTWGEPZSA-N 0 3 248.370 3.699 20 0 BHADHN Cc1cc([C@@H]2CCCN2[C@H]2CCC(C)(C)C2)no1 ZINC000365043864 178240328 /nfs/dbraw/zinc/24/03/28/178240328.db2.gz MEKSJVWZNBGOEF-JSGCOSHPSA-N 0 3 248.370 3.699 20 0 BHADHN Cc1cc([C@@H]2CCCN2[C@@H]2CCC(C)(C)C2)no1 ZINC000365043865 178241440 /nfs/dbraw/zinc/24/14/40/178241440.db2.gz MEKSJVWZNBGOEF-OCCSQVGLSA-N 0 3 248.370 3.699 20 0 BHADHN Cc1cc([C@H]2CCCN2[C@@H]2CCC(C)(C)C2)no1 ZINC000365043867 178265417 /nfs/dbraw/zinc/26/54/17/178265417.db2.gz MEKSJVWZNBGOEF-TZMCWYRMSA-N 0 3 248.370 3.699 20 0 BHADHN CCC(=O)CCN1CCC[C@H]1c1ccc(C)cc1 ZINC000365207194 168203182 /nfs/dbraw/zinc/20/31/82/168203182.db2.gz RVCSRXPHUGPXRQ-INIZCTEOSA-N 0 3 245.366 3.501 20 0 BHADHN CCC(=O)CCN1CCC[C@@H]1c1ccc(C)cc1 ZINC000365207195 168201946 /nfs/dbraw/zinc/20/19/46/168201946.db2.gz RVCSRXPHUGPXRQ-MRXNPFEDSA-N 0 3 245.366 3.501 20 0 BHADHN CCCCCN1CCC(=Cc2cc(C)on2)CC1 ZINC000366214375 386189863 /nfs/dbraw/zinc/18/98/63/386189863.db2.gz OMOGKUKGNRVEIR-UHFFFAOYSA-N 0 3 248.370 3.652 20 0 BHADHN CCCCN1CCCC[C@@H]1c1ncc(C)s1 ZINC000366626978 385828099 /nfs/dbraw/zinc/82/80/99/385828099.db2.gz CPJILVNLCVAAAY-GFCCVEGCSA-N 0 3 238.400 3.779 20 0 BHADHN CCCCN1CCCC[C@H]1c1ncc(C)s1 ZINC000366626983 385828509 /nfs/dbraw/zinc/82/85/09/385828509.db2.gz CPJILVNLCVAAAY-LBPRGKRZSA-N 0 3 238.400 3.779 20 0 BHADHN Cc1cnc(CN2CCCC23CCCCCC3)o1 ZINC000366695220 386718609 /nfs/dbraw/zinc/71/86/09/386718609.db2.gz MGAAENNNLNHLNK-UHFFFAOYSA-N 0 3 248.370 3.672 20 0 BHADHN Cc1cc(CN2CCCC23CCCCCC3)no1 ZINC000366695832 177988647 /nfs/dbraw/zinc/98/86/47/177988647.db2.gz NJOPQKUZSNMGDU-UHFFFAOYSA-N 0 3 248.370 3.672 20 0 BHADHN Cc1ccccc1[C@H]1C[C@H](NCc2ccco2)C1 ZINC000367002304 355239430 /nfs/dbraw/zinc/23/94/30/355239430.db2.gz ACLGNSCXJUAVKA-HDJSIYSDSA-N 0 3 241.334 3.624 20 0 BHADHN C[C@@H](N[C@H]1C[C@H](c2ccccc2)C1)c1ccoc1 ZINC000367195930 387505520 /nfs/dbraw/zinc/50/55/20/387505520.db2.gz OZVJHQWPIWZAAP-DAXOMENPSA-N 0 3 241.334 3.876 20 0 BHADHN C[C@H](N[C@H]1C[C@H](c2ccccc2)C1)c1ccoc1 ZINC000367195931 387505788 /nfs/dbraw/zinc/50/57/88/387505788.db2.gz OZVJHQWPIWZAAP-RCBQFDQVSA-N 0 3 241.334 3.876 20 0 BHADHN CC1=C(c2ccco2)CN(CCCCF)CC1 ZINC000367216929 168087917 /nfs/dbraw/zinc/08/79/17/168087917.db2.gz HNDGPNUXTRAFLW-UHFFFAOYSA-N 0 3 237.318 3.509 20 0 BHADHN FCCCCN1CC=C(c2cccs2)CC1 ZINC000367217199 387594805 /nfs/dbraw/zinc/59/48/05/387594805.db2.gz KBMRGHCXOXTNBV-UHFFFAOYSA-N 0 3 239.359 3.587 20 0 BHADHN C[C@@H](F)CCN1CC=C(c2cccs2)CC1 ZINC000367217911 387597505 /nfs/dbraw/zinc/59/75/05/387597505.db2.gz PHVFBXVANWUBRU-LLVKDONJSA-N 0 3 239.359 3.585 20 0 BHADHN C[C@H](F)CCN1CC=C(c2cccs2)CC1 ZINC000367217913 387597517 /nfs/dbraw/zinc/59/75/17/387597517.db2.gz PHVFBXVANWUBRU-NSHDSACASA-N 0 3 239.359 3.585 20 0 BHADHN c1c[nH]c([C@@H](NC2CCCC2)C2CCCCC2)n1 ZINC000367617445 183327681 /nfs/dbraw/zinc/32/76/81/183327681.db2.gz NFLGBQULBHGELY-AWEZNQCLSA-N 0 3 247.386 3.563 20 0 BHADHN c1c[nH]c([C@H](NC2CCCC2)C2CCCCC2)n1 ZINC000367617446 183327003 /nfs/dbraw/zinc/32/70/03/183327003.db2.gz NFLGBQULBHGELY-CQSZACIVSA-N 0 3 247.386 3.563 20 0 BHADHN CC1(C)CC[C@H](N2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC000368052879 187384029 /nfs/dbraw/zinc/38/40/29/187384029.db2.gz ZSTWHDCOXLIQCT-GXTWGEPZSA-N 0 3 247.386 3.515 20 0 BHADHN CC1(C)CC[C@H](N2CCCC[C@H]2c2cc[nH]n2)C1 ZINC000368052880 187385025 /nfs/dbraw/zinc/38/50/25/187385025.db2.gz ZSTWHDCOXLIQCT-JSGCOSHPSA-N 0 3 247.386 3.515 20 0 BHADHN CC1(C)CC[C@@H](N2CCCC[C@H]2c2cc[nH]n2)C1 ZINC000368052881 356964828 /nfs/dbraw/zinc/96/48/28/356964828.db2.gz ZSTWHDCOXLIQCT-OCCSQVGLSA-N 0 3 247.386 3.515 20 0 BHADHN CC1(C)CC[C@@H](N2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC000368052882 356964983 /nfs/dbraw/zinc/96/49/83/356964983.db2.gz ZSTWHDCOXLIQCT-TZMCWYRMSA-N 0 3 247.386 3.515 20 0 BHADHN Cc1cc(CN[C@H]2CCCCC23CCCC3)no1 ZINC000368183164 178039810 /nfs/dbraw/zinc/03/98/10/178039810.db2.gz FXWIRAIRBNUEQC-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1cc(CN[C@@H]2CCCCC23CCCC3)no1 ZINC000368183165 178033779 /nfs/dbraw/zinc/03/37/79/178033779.db2.gz FXWIRAIRBNUEQC-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN c1c2ccccc2[nH]c1CN1C[C@H]2CCCC[C@H]21 ZINC000368226309 386951865 /nfs/dbraw/zinc/95/18/65/386951865.db2.gz NKJVCIKYJJKLQR-CZUORRHYSA-N 0 3 240.350 3.542 20 0 BHADHN CCCCCN1CCC[C@@H]1c1csc(C)n1 ZINC000368417370 386970680 /nfs/dbraw/zinc/97/06/80/386970680.db2.gz RNIMTNKXYOGRGO-CYBMUJFWSA-N 0 3 238.400 3.779 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1cccnc1 ZINC000369756388 387067620 /nfs/dbraw/zinc/06/76/20/387067620.db2.gz FDQUAOWNIVFBAK-APHBMKBZSA-N 0 3 244.382 3.701 20 0 BHADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1cccnc1 ZINC000369756389 387066935 /nfs/dbraw/zinc/06/69/35/387066935.db2.gz FDQUAOWNIVFBAK-MAZHCROVSA-N 0 3 244.382 3.701 20 0 BHADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1cccnc1 ZINC000369756390 387066890 /nfs/dbraw/zinc/06/68/90/387066890.db2.gz FDQUAOWNIVFBAK-RCBQFDQVSA-N 0 3 244.382 3.701 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1cccnc1 ZINC000369756391 387068476 /nfs/dbraw/zinc/06/84/76/387068476.db2.gz FDQUAOWNIVFBAK-VBNZEHGJSA-N 0 3 244.382 3.701 20 0 BHADHN FC(F)(F)CCCCN1CCCC2(CC2)C1 ZINC000369974992 387079434 /nfs/dbraw/zinc/07/94/34/387079434.db2.gz QFQKBNLTMCDPGZ-UHFFFAOYSA-N 0 3 235.293 3.595 20 0 BHADHN CCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000370511871 169191890 /nfs/dbraw/zinc/19/18/90/169191890.db2.gz BNSNJJFEHHYQAE-CYBMUJFWSA-N 0 3 244.338 3.765 20 0 BHADHN CCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000370511872 169191744 /nfs/dbraw/zinc/19/17/44/169191744.db2.gz BNSNJJFEHHYQAE-ZDUSSCGKSA-N 0 3 244.338 3.765 20 0 BHADHN C[C@H](c1cccnc1)N1C[C@H]2CCCCCC[C@@H]21 ZINC000370549272 177046359 /nfs/dbraw/zinc/04/63/59/177046359.db2.gz YMCPXOAINRKJNL-BMFZPTHFSA-N 0 3 244.382 3.797 20 0 BHADHN C[C@H](c1cccnc1)N1C[C@H]2CCCCCC[C@H]21 ZINC000370549273 177046183 /nfs/dbraw/zinc/04/61/83/177046183.db2.gz YMCPXOAINRKJNL-FVQBIDKESA-N 0 3 244.382 3.797 20 0 BHADHN C[C@H](c1cccnc1)N1C[C@@H]2CCCCCC[C@@H]21 ZINC000370549274 177046739 /nfs/dbraw/zinc/04/67/39/177046739.db2.gz YMCPXOAINRKJNL-KBMXLJTQSA-N 0 3 244.382 3.797 20 0 BHADHN C[C@H](c1cccnc1)N1C[C@@H]2CCCCCC[C@H]21 ZINC000370549275 177046278 /nfs/dbraw/zinc/04/62/78/177046278.db2.gz YMCPXOAINRKJNL-VNQPRFMTSA-N 0 3 244.382 3.797 20 0 BHADHN CCC(CC)NCc1ncoc1-c1ccccc1 ZINC000371282258 168389777 /nfs/dbraw/zinc/38/97/77/168389777.db2.gz YMJGCEOTUJLTSP-UHFFFAOYSA-N 0 3 244.338 3.620 20 0 BHADHN CCC[C@@H](C)NCc1ncoc1-c1ccccc1 ZINC000371288043 169371008 /nfs/dbraw/zinc/37/10/08/169371008.db2.gz AOVXASBOPVLMAI-GFCCVEGCSA-N 0 3 244.338 3.620 20 0 BHADHN CCC[C@H](C)NCc1ncoc1-c1ccccc1 ZINC000371288045 387186531 /nfs/dbraw/zinc/18/65/31/387186531.db2.gz AOVXASBOPVLMAI-LBPRGKRZSA-N 0 3 244.338 3.620 20 0 BHADHN FCCCN1CCC[C@@H]1/C=C/c1cccs1 ZINC000372028740 387265203 /nfs/dbraw/zinc/26/52/03/387265203.db2.gz YSZDOVZIFAPGOQ-NNNHXZLVSA-N 0 3 239.359 3.585 20 0 BHADHN FCCCN1CCC[C@H]1/C=C/c1cccs1 ZINC000372028741 387264827 /nfs/dbraw/zinc/26/48/27/387264827.db2.gz YSZDOVZIFAPGOQ-SYTKJHMZSA-N 0 3 239.359 3.585 20 0 BHADHN CCCCCN1CCC[C@H]1c1csc(C)n1 ZINC000372124675 387273135 /nfs/dbraw/zinc/27/31/35/387273135.db2.gz RNIMTNKXYOGRGO-ZDUSSCGKSA-N 0 3 238.400 3.779 20 0 BHADHN CCC(CC)CN1CCC[C@H]1c1cc(C)on1 ZINC000372452152 168352050 /nfs/dbraw/zinc/35/20/50/168352050.db2.gz WGJNXFMPXVYPGB-AWEZNQCLSA-N 0 3 236.359 3.556 20 0 BHADHN CCC(CC)CN1CCC[C@@H]1c1cc(C)on1 ZINC000372452153 168350530 /nfs/dbraw/zinc/35/05/30/168350530.db2.gz WGJNXFMPXVYPGB-CQSZACIVSA-N 0 3 236.359 3.556 20 0 BHADHN Cc1cc([C@@H]2CCCN2CCCC(C)C)no1 ZINC000372461492 178241523 /nfs/dbraw/zinc/24/15/23/178241523.db2.gz CPNIYNYKRHTDAF-AWEZNQCLSA-N 0 3 236.359 3.556 20 0 BHADHN Cc1cc([C@H]2CCCN2CCCC(C)C)no1 ZINC000372461495 178265928 /nfs/dbraw/zinc/26/59/28/178265928.db2.gz CPNIYNYKRHTDAF-CQSZACIVSA-N 0 3 236.359 3.556 20 0 BHADHN FCCN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000372901122 384536619 /nfs/dbraw/zinc/53/66/19/384536619.db2.gz PSZBAWHJHSRMQJ-CHWSQXEVSA-N 0 3 241.737 3.535 20 0 BHADHN FCCN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000372901143 384536726 /nfs/dbraw/zinc/53/67/26/384536726.db2.gz PSZBAWHJHSRMQJ-OLZOCXBDSA-N 0 3 241.737 3.535 20 0 BHADHN FCCN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000372901145 384536654 /nfs/dbraw/zinc/53/66/54/384536654.db2.gz PSZBAWHJHSRMQJ-QWHCGFSZSA-N 0 3 241.737 3.535 20 0 BHADHN FCCN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000372901147 384536247 /nfs/dbraw/zinc/53/62/47/384536247.db2.gz PSZBAWHJHSRMQJ-STQMWFEESA-N 0 3 241.737 3.535 20 0 BHADHN CC/C=C/CCN1CC=C(c2cccnc2)CC1 ZINC000373352979 387360242 /nfs/dbraw/zinc/36/02/42/387360242.db2.gz HQMDPFIYXKVOSG-ONEGZZNKSA-N 0 3 242.366 3.527 20 0 BHADHN Cc1cc([C@@H]2CCN(Cc3ccco3)C2)cs1 ZINC000373570306 178241890 /nfs/dbraw/zinc/24/18/90/178241890.db2.gz YYWSXMUPPZQKOS-GFCCVEGCSA-N 0 3 247.363 3.639 20 0 BHADHN Cc1cc([C@H]2CCN(Cc3ccco3)C2)cs1 ZINC000373570307 178268362 /nfs/dbraw/zinc/26/83/62/178268362.db2.gz YYWSXMUPPZQKOS-LBPRGKRZSA-N 0 3 247.363 3.639 20 0 BHADHN CC(C)CCCN1CCC[C@@H]1c1nccs1 ZINC000373688586 387388573 /nfs/dbraw/zinc/38/85/73/387388573.db2.gz TYZUOLPMBFSPAK-GFCCVEGCSA-N 0 3 238.400 3.716 20 0 BHADHN CC(C)CCCN1CCC[C@H]1c1nccs1 ZINC000373688587 387387758 /nfs/dbraw/zinc/38/77/58/387387758.db2.gz TYZUOLPMBFSPAK-LBPRGKRZSA-N 0 3 238.400 3.716 20 0 BHADHN Cc1cc(C=C2CCN(CC(C)(C)C)CC2)no1 ZINC000374260525 387435957 /nfs/dbraw/zinc/43/59/57/387435957.db2.gz WUNBCQWVLBLANS-UHFFFAOYSA-N 0 3 248.370 3.508 20 0 BHADHN CC(C)SCCN1CCC[C@@H]1c1ccco1 ZINC000374342263 167323060 /nfs/dbraw/zinc/32/30/60/167323060.db2.gz PYQUMJWEBKDSFC-GFCCVEGCSA-N 0 3 239.384 3.558 20 0 BHADHN CC(C)SCCN1CCC[C@H]1c1ccco1 ZINC000374342264 167326915 /nfs/dbraw/zinc/32/69/15/167326915.db2.gz PYQUMJWEBKDSFC-LBPRGKRZSA-N 0 3 239.384 3.558 20 0 BHADHN CC1=C(c2ccco2)CN(Cc2ccco2)CC1 ZINC000374994518 168090287 /nfs/dbraw/zinc/09/02/87/168090287.db2.gz LOOOAPPKKWSKQF-UHFFFAOYSA-N 0 3 243.306 3.552 20 0 BHADHN CCC[C@@H](C)CN1CCC[C@@H]1c1cc(C)on1 ZINC000375015120 169357967 /nfs/dbraw/zinc/35/79/67/169357967.db2.gz CDKTVFLNEBIDIG-BXUZGUMPSA-N 0 3 236.359 3.556 20 0 BHADHN CCC[C@H](C)CN1CCC[C@H]1c1cc(C)on1 ZINC000375015122 387506131 /nfs/dbraw/zinc/50/61/31/387506131.db2.gz CDKTVFLNEBIDIG-FZMZJTMJSA-N 0 3 236.359 3.556 20 0 BHADHN CCC[C@@H](C)CN1CCC[C@H]1c1cc(C)on1 ZINC000375015125 169357418 /nfs/dbraw/zinc/35/74/18/169357418.db2.gz CDKTVFLNEBIDIG-RISCZKNCSA-N 0 3 236.359 3.556 20 0 BHADHN CCC[C@H](C)CN1CCC[C@@H]1c1cc(C)on1 ZINC000375015126 387506156 /nfs/dbraw/zinc/50/61/56/387506156.db2.gz CDKTVFLNEBIDIG-SMDDNHRTSA-N 0 3 236.359 3.556 20 0 BHADHN CCC[C@@H](C)CN1CCC[C@H]1c1nccs1 ZINC000375020676 169358336 /nfs/dbraw/zinc/35/83/36/169358336.db2.gz NICVFZKBHFNTOX-NEPJUHHUSA-N 0 3 238.400 3.716 20 0 BHADHN CCC[C@H](C)CN1CCC[C@@H]1c1nccs1 ZINC000375020677 387505986 /nfs/dbraw/zinc/50/59/86/387505986.db2.gz NICVFZKBHFNTOX-NWDGAFQWSA-N 0 3 238.400 3.716 20 0 BHADHN CCC[C@H](C)CN1CCC[C@H]1c1nccs1 ZINC000375020679 387505805 /nfs/dbraw/zinc/50/58/05/387505805.db2.gz NICVFZKBHFNTOX-RYUDHWBXSA-N 0 3 238.400 3.716 20 0 BHADHN CCC[C@@H](C)CN1CCC[C@@H]1c1nccs1 ZINC000375020681 169357686 /nfs/dbraw/zinc/35/76/86/169357686.db2.gz NICVFZKBHFNTOX-VXGBXAGGSA-N 0 3 238.400 3.716 20 0 BHADHN Fc1ccc(CN2CCCC23CCCCC3)cn1 ZINC000375286783 387521166 /nfs/dbraw/zinc/52/11/66/387521166.db2.gz LRRKMZSYHRYJFV-UHFFFAOYSA-N 0 3 248.345 3.519 20 0 BHADHN Cc1oncc1CN1CCC2(C1)CCCCCC2 ZINC000375344390 180554598 /nfs/dbraw/zinc/55/45/98/180554598.db2.gz DWMWXZCUCWTFCK-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN C[C@H](NC1CC(c2ccccc2)C1)c1ccoc1 ZINC000376151469 387611076 /nfs/dbraw/zinc/61/10/76/387611076.db2.gz OZVJHQWPIWZAAP-JQRITLKVSA-N 0 3 241.334 3.876 20 0 BHADHN C[C@@H](NC1CC(c2ccccc2)C1)c1ccoc1 ZINC000376151470 387611573 /nfs/dbraw/zinc/61/15/73/387611573.db2.gz OZVJHQWPIWZAAP-UWTIGNOOSA-N 0 3 241.334 3.876 20 0 BHADHN FCCCCN1CCC[C@H]1c1cccc(F)c1 ZINC000377125857 387691426 /nfs/dbraw/zinc/69/14/26/387691426.db2.gz JCRFGECAWWFLBQ-AWEZNQCLSA-N 0 3 239.309 3.712 20 0 BHADHN FCCCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000377125858 387693634 /nfs/dbraw/zinc/69/36/34/387693634.db2.gz JCRFGECAWWFLBQ-CQSZACIVSA-N 0 3 239.309 3.712 20 0 BHADHN FC(F)(F)CCCCN1C[C@H]2CCCC[C@H]21 ZINC000377714663 387744503 /nfs/dbraw/zinc/74/45/03/387744503.db2.gz BTCKJZSWHOSKPI-GHMZBOCLSA-N 0 3 235.293 3.593 20 0 BHADHN Cc1cc(C=C2CCN(CCC(C)C)CC2)no1 ZINC000378184233 387770338 /nfs/dbraw/zinc/77/03/38/387770338.db2.gz RTVAJGMOEZHFKT-UHFFFAOYSA-N 0 3 248.370 3.508 20 0 BHADHN CC[C@@H](C)CN1CCC(=Cc2cc(C)on2)CC1 ZINC000378186718 387770348 /nfs/dbraw/zinc/77/03/48/387770348.db2.gz WWOZPMHUDBEKKW-GFCCVEGCSA-N 0 3 248.370 3.508 20 0 BHADHN CC[C@H](C)CN1CCC(=Cc2cc(C)on2)CC1 ZINC000378186719 171279948 /nfs/dbraw/zinc/27/99/48/171279948.db2.gz WWOZPMHUDBEKKW-LBPRGKRZSA-N 0 3 248.370 3.508 20 0 BHADHN CCC(CC)CN1CCC[C@@H]1c1nccs1 ZINC000378338130 168350837 /nfs/dbraw/zinc/35/08/37/168350837.db2.gz RYLCWOCOQUJFPW-GFCCVEGCSA-N 0 3 238.400 3.716 20 0 BHADHN CCC(CC)CN1CCC[C@H]1c1nccs1 ZINC000378338135 168352362 /nfs/dbraw/zinc/35/23/62/168352362.db2.gz RYLCWOCOQUJFPW-LBPRGKRZSA-N 0 3 238.400 3.716 20 0 BHADHN c1csc([C@H]2CCCN2C[C@@H]2CC=CCC2)n1 ZINC000378339688 187227643 /nfs/dbraw/zinc/22/76/43/187227643.db2.gz XZVFPOMPEZZKCR-CHWSQXEVSA-N 0 3 248.395 3.636 20 0 BHADHN c1csc([C@@H]2CCCN2C[C@@H]2CC=CCC2)n1 ZINC000378339690 387776965 /nfs/dbraw/zinc/77/69/65/387776965.db2.gz XZVFPOMPEZZKCR-OLZOCXBDSA-N 0 3 248.395 3.636 20 0 BHADHN c1csc([C@H]2CCCN2C[C@H]2CC=CCC2)n1 ZINC000378339693 188079316 /nfs/dbraw/zinc/07/93/16/188079316.db2.gz XZVFPOMPEZZKCR-QWHCGFSZSA-N 0 3 248.395 3.636 20 0 BHADHN c1csc([C@@H]2CCCN2C[C@H]2CC=CCC2)n1 ZINC000378339696 387776499 /nfs/dbraw/zinc/77/64/99/387776499.db2.gz XZVFPOMPEZZKCR-STQMWFEESA-N 0 3 248.395 3.636 20 0 BHADHN CCc1cccc(Cl)c1CNCC[C@H](C)F ZINC000378663151 346797414 /nfs/dbraw/zinc/79/74/14/346797414.db2.gz CZAIZWCBCISQIH-JTQLQIEISA-N 0 3 243.753 3.740 20 0 BHADHN CCc1cccc(Cl)c1CNCC[C@@H](C)F ZINC000378663152 346797407 /nfs/dbraw/zinc/79/74/07/346797407.db2.gz CZAIZWCBCISQIH-SNVBAGLBSA-N 0 3 243.753 3.740 20 0 BHADHN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(Cl)cc1 ZINC000378666052 385457504 /nfs/dbraw/zinc/45/75/04/385457504.db2.gz GINRHMZTBXNBHZ-GGVZMXCHSA-N 0 3 245.700 3.644 20 0 BHADHN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(Cl)cc1 ZINC000378666053 385457999 /nfs/dbraw/zinc/45/79/99/385457999.db2.gz GINRHMZTBXNBHZ-SWPVVBRQSA-N 0 3 245.700 3.644 20 0 BHADHN Clc1cscc1CN[C@@H]1CCC[C@H]2C[C@H]21 ZINC000378668971 388481753 /nfs/dbraw/zinc/48/17/53/388481753.db2.gz INJLBFOSIIKVCB-MKPLZMMCSA-N 0 3 241.787 3.680 20 0 BHADHN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccccc1 ZINC000378670335 346801148 /nfs/dbraw/zinc/80/11/48/346801148.db2.gz JOLVBTIIXWYRQW-IACUBPJLSA-N 0 3 221.319 3.618 20 0 BHADHN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccccc1 ZINC000378670340 346801230 /nfs/dbraw/zinc/80/12/30/346801230.db2.gz JOLVBTIIXWYRQW-MRVWCRGKSA-N 0 3 221.319 3.618 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)c(C)s1 ZINC000378681147 346805690 /nfs/dbraw/zinc/80/56/90/346805690.db2.gz WIKXMOPYMLGWHL-GGVZMXCHSA-N 0 3 245.338 3.669 20 0 BHADHN F[C@H]1CCC[C@H]1N[C@@H]1CCCc2sccc21 ZINC000378687167 346806853 /nfs/dbraw/zinc/80/68/53/346806853.db2.gz FTTPDXKSXNRTDE-QJPTWQEYSA-N 0 3 239.359 3.606 20 0 BHADHN F[C@H]1CCC[C@H]1N[C@H]1CCCc2sccc21 ZINC000378687168 346806508 /nfs/dbraw/zinc/80/65/08/346806508.db2.gz FTTPDXKSXNRTDE-SDDRHHMPSA-N 0 3 239.359 3.606 20 0 BHADHN Cc1cc(CN[C@@H]2CCCC[C@H]2F)c(C)s1 ZINC000378723401 346817999 /nfs/dbraw/zinc/81/79/99/346817999.db2.gz HJKQRGKSGUJEEP-CHWSQXEVSA-N 0 3 241.375 3.735 20 0 BHADHN Cc1cc(Cl)cc(CNC2CC(F)(F)C2)c1 ZINC000378740135 345549329 /nfs/dbraw/zinc/54/93/29/345549329.db2.gz OSYDRBYLNNJKMX-UHFFFAOYSA-N 0 3 245.700 3.536 20 0 BHADHN CCC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccsc1 ZINC000378752490 346826985 /nfs/dbraw/zinc/82/69/85/346826985.db2.gz VUXKOWZWVCCCFX-AXFHLTTASA-N 0 3 245.338 3.833 20 0 BHADHN Cc1ccoc1CNC1CC(C(C)(C)C)C1 ZINC000378757810 487665585 /nfs/dbraw/zinc/66/55/85/487665585.db2.gz ZCAZXFNCZBZOQL-UHFFFAOYSA-N 0 3 221.344 3.502 20 0 BHADHN CC[C@@H](NCC(C)(F)F)C1CCCCC1 ZINC000378773407 346831826 /nfs/dbraw/zinc/83/18/26/346831826.db2.gz DBXKKZXCSYVOMS-LLVKDONJSA-N 0 3 219.319 3.590 20 0 BHADHN CC[C@H](NCC(C)(F)F)C1CCCCC1 ZINC000378773408 346831469 /nfs/dbraw/zinc/83/14/69/346831469.db2.gz DBXKKZXCSYVOMS-NSHDSACASA-N 0 3 219.319 3.590 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2CCC[C@H]2F)s1 ZINC000378782333 345559445 /nfs/dbraw/zinc/55/94/45/345559445.db2.gz OJBYJYYRBMCELT-MXWKQRLJSA-N 0 3 227.348 3.598 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2F)cc1 ZINC000378787381 346832506 /nfs/dbraw/zinc/83/25/06/346832506.db2.gz HGRDUIPQASIOBP-FPMFFAJLSA-N 0 3 221.319 3.536 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)cc1 ZINC000378787382 346832312 /nfs/dbraw/zinc/83/23/12/346832312.db2.gz HGRDUIPQASIOBP-KWCYVHTRSA-N 0 3 221.319 3.536 20 0 BHADHN Cc1ccsc1[C@H](C)N[C@@H]1CCC[C@@H]1F ZINC000378790098 388505076 /nfs/dbraw/zinc/50/50/76/388505076.db2.gz IADJLOPFHSPZEY-GARJFASQSA-N 0 3 227.348 3.598 20 0 BHADHN Cc1ccsc1[C@@H](C)N[C@@H]1CCC[C@@H]1F ZINC000378790099 388505341 /nfs/dbraw/zinc/50/53/41/388505341.db2.gz IADJLOPFHSPZEY-OUAUKWLOSA-N 0 3 227.348 3.598 20 0 BHADHN CC[C@H]1CC[C@H](N[C@H](C)c2nccs2)CC1 ZINC000378795880 346835327 /nfs/dbraw/zinc/83/53/27/346835327.db2.gz QLDTYUOBXBWCHA-IJLUTSLNSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H]1CC[C@H](N[C@@H](C)c2nccs2)CC1 ZINC000378795881 346835239 /nfs/dbraw/zinc/83/52/39/346835239.db2.gz QLDTYUOBXBWCHA-SRVKXCTJSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@H]1CCC[C@H]1F)c1cccc(Cl)c1 ZINC000378808428 371020279 /nfs/dbraw/zinc/02/02/79/371020279.db2.gz XELSTLRVIKCLSE-BIMULSAOSA-N 0 3 241.737 3.881 20 0 BHADHN C[C@@H](N[C@H]1CCC[C@H]1F)c1cccc(Cl)c1 ZINC000378808430 371020307 /nfs/dbraw/zinc/02/03/07/371020307.db2.gz XELSTLRVIKCLSE-WQAKAFBOSA-N 0 3 241.737 3.881 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H]2CCC[C@H]2F)s1 ZINC000378811869 371021786 /nfs/dbraw/zinc/02/17/86/371021786.db2.gz ZMIQGTHABNNVHH-JLLWLGSASA-N 0 3 241.375 3.852 20 0 BHADHN CCc1ccc([C@H](C)N[C@H]2CCC[C@H]2F)s1 ZINC000378811870 371021469 /nfs/dbraw/zinc/02/14/69/371021469.db2.gz ZMIQGTHABNNVHH-WCQGTBRESA-N 0 3 241.375 3.852 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1cccs1 ZINC000378814457 388510342 /nfs/dbraw/zinc/51/03/42/388510342.db2.gz BAAUMZKHCYCARN-GARJFASQSA-N 0 3 227.348 3.679 20 0 BHADHN CC[C@@H](N[C@@H]1CCC[C@@H]1F)c1cccs1 ZINC000378814459 388510391 /nfs/dbraw/zinc/51/03/91/388510391.db2.gz BAAUMZKHCYCARN-HBNTYKKESA-N 0 3 227.348 3.679 20 0 BHADHN CC[C@@H](N[C@H]1CCC[C@H]1F)c1cccs1 ZINC000378814461 346839629 /nfs/dbraw/zinc/83/96/29/346839629.db2.gz BAAUMZKHCYCARN-MXWKQRLJSA-N 0 3 227.348 3.679 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@H]1F)c1cccs1 ZINC000378814463 346839699 /nfs/dbraw/zinc/83/96/99/346839699.db2.gz BAAUMZKHCYCARN-VWYCJHECSA-N 0 3 227.348 3.679 20 0 BHADHN Cc1cc(Cl)cc(CN[C@H]2CCC[C@H]2F)c1 ZINC000378816190 346839973 /nfs/dbraw/zinc/83/99/73/346839973.db2.gz BXAADIHFKVDZJY-OLZOCXBDSA-N 0 3 241.737 3.629 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CCC[C@@H]2F)c(C)s1 ZINC000378818668 346840475 /nfs/dbraw/zinc/84/04/75/346840475.db2.gz LQQVFZUYFKVYAD-JIMOISOXSA-N 0 3 241.375 3.906 20 0 BHADHN CC[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000378822841 385528408 /nfs/dbraw/zinc/52/84/08/385528408.db2.gz GBMDRDYAOBDFNW-BFHYXJOUSA-N 0 3 221.319 3.618 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)s1 ZINC000378824263 346842931 /nfs/dbraw/zinc/84/29/31/346842931.db2.gz OJBYJYYRBMCELT-OUAUKWLOSA-N 0 3 227.348 3.598 20 0 BHADHN Cc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H]1F ZINC000378824649 346842688 /nfs/dbraw/zinc/84/26/88/346842688.db2.gz GXJZJFCKZDWXAF-QWHCGFSZSA-N 0 3 241.737 3.629 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@@H]1CCC[C@@H]1F ZINC000378825862 346843029 /nfs/dbraw/zinc/84/30/29/346843029.db2.gz PDKGERAPAQJZAM-FPMFFAJLSA-N 0 3 221.319 3.536 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@@H]1CCC[C@@H]1F ZINC000378825863 346843008 /nfs/dbraw/zinc/84/30/08/346843008.db2.gz PDKGERAPAQJZAM-KWCYVHTRSA-N 0 3 221.319 3.536 20 0 BHADHN Cc1ccc(CN[C@H]2CCC[C@H]2F)cc1Cl ZINC000378836237 346843696 /nfs/dbraw/zinc/84/36/96/346843696.db2.gz MLORLOBYFLTRRH-OLZOCXBDSA-N 0 3 241.737 3.629 20 0 BHADHN Cc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1Cl ZINC000378836239 346843874 /nfs/dbraw/zinc/84/38/74/346843874.db2.gz MLORLOBYFLTRRH-QWHCGFSZSA-N 0 3 241.737 3.629 20 0 BHADHN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1cccc(Cl)c1 ZINC000378839494 346844393 /nfs/dbraw/zinc/84/43/93/346844393.db2.gz XELSTLRVIKCLSE-JIMOISOXSA-N 0 3 241.737 3.881 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H]1F)c1cccc(Cl)c1 ZINC000378839495 346844194 /nfs/dbraw/zinc/84/41/94/346844194.db2.gz XELSTLRVIKCLSE-TVYUQYBPSA-N 0 3 241.737 3.881 20 0 BHADHN C[C@@H](NC[C@H]1CCCC1(C)C)c1cscn1 ZINC000378846562 346845470 /nfs/dbraw/zinc/84/54/70/346845470.db2.gz AEWREDPNZAVECH-GHMZBOCLSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@@H](NC[C@@H]1CCCC1(C)C)c1cscn1 ZINC000378846563 346845141 /nfs/dbraw/zinc/84/51/41/346845141.db2.gz AEWREDPNZAVECH-MNOVXSKESA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@@H]1CCCC1(C)C)c1cscn1 ZINC000378846564 346845504 /nfs/dbraw/zinc/84/55/04/346845504.db2.gz AEWREDPNZAVECH-QWRGUYRKSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NC[C@H]1CCCC1(C)C)c1cscn1 ZINC000378846565 346845291 /nfs/dbraw/zinc/84/52/91/346845291.db2.gz AEWREDPNZAVECH-WDEREUQCSA-N 0 3 238.400 3.620 20 0 BHADHN Clc1ccsc1CNC[C@@H]1C[C@H]1C1CC1 ZINC000378849241 346846593 /nfs/dbraw/zinc/84/65/93/346846593.db2.gz UXLBLMCKOLRBND-UWVGGRQHSA-N 0 3 241.787 3.537 20 0 BHADHN C[C@@H](NC1CC(C(C)(C)C)C1)c1cncs1 ZINC000378863072 346848876 /nfs/dbraw/zinc/84/88/76/346848876.db2.gz UVAKCWXEKUDNRJ-KPPDAEKUSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](NC1CC(C(C)(C)C)C1)c1cncs1 ZINC000378863073 346849113 /nfs/dbraw/zinc/84/91/13/346849113.db2.gz UVAKCWXEKUDNRJ-WHXUTIOJSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](NC1CC(C(C)(C)C)C1)c1ccco1 ZINC000378864983 388526609 /nfs/dbraw/zinc/52/66/09/388526609.db2.gz YIXMKBUYCNSXSF-UNXYVOJBSA-N 0 3 221.344 3.755 20 0 BHADHN C[C@@H](NC1CC(C(C)(C)C)C1)c1ccco1 ZINC000378864984 388526800 /nfs/dbraw/zinc/52/68/00/388526800.db2.gz YIXMKBUYCNSXSF-VOMCLLRMSA-N 0 3 221.344 3.755 20 0 BHADHN CCCCCC(C)(C)CN[C@@H]1CCn2ccnc21 ZINC000378998833 712367629 /nfs/dbraw/zinc/36/76/29/712367629.db2.gz APYODZQKJXOQTN-CYBMUJFWSA-N 0 3 249.402 3.524 20 0 BHADHN CCCCCC(C)(C)CN[C@H]1CCn2ccnc21 ZINC000378998834 712367832 /nfs/dbraw/zinc/36/78/32/712367832.db2.gz APYODZQKJXOQTN-ZDUSSCGKSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@H](CC)CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000379008953 346883523 /nfs/dbraw/zinc/88/35/23/346883523.db2.gz JPQWHWOYTGSCKH-HZSPNIEDSA-N 0 3 249.402 3.695 20 0 BHADHN CCCC[C@H](CC)CN[C@H]1C[C@H](C)n2ccnc21 ZINC000379008954 346883719 /nfs/dbraw/zinc/88/37/19/346883719.db2.gz JPQWHWOYTGSCKH-IHRRRGAJSA-N 0 3 249.402 3.695 20 0 BHADHN CCCC[C@H](CC)CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000379008955 346883801 /nfs/dbraw/zinc/88/38/01/346883801.db2.gz JPQWHWOYTGSCKH-MELADBBJSA-N 0 3 249.402 3.695 20 0 BHADHN CCCC[C@H](CC)CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000379008956 346883588 /nfs/dbraw/zinc/88/35/88/346883588.db2.gz JPQWHWOYTGSCKH-RDBSUJKOSA-N 0 3 249.402 3.695 20 0 BHADHN CCCCCC[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000379009086 712368139 /nfs/dbraw/zinc/36/81/39/712368139.db2.gz JTTPVRFQVIGSSJ-BFHYXJOUSA-N 0 3 249.402 3.837 20 0 BHADHN CCCCCC[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000379009087 712367635 /nfs/dbraw/zinc/36/76/35/712367635.db2.gz JTTPVRFQVIGSSJ-IHRRRGAJSA-N 0 3 249.402 3.837 20 0 BHADHN CCCCCC[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000379009088 712367970 /nfs/dbraw/zinc/36/79/70/712367970.db2.gz JTTPVRFQVIGSSJ-MELADBBJSA-N 0 3 249.402 3.837 20 0 BHADHN CCCCCC[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000379009089 712368042 /nfs/dbraw/zinc/36/80/42/712368042.db2.gz JTTPVRFQVIGSSJ-MJBXVCDLSA-N 0 3 249.402 3.837 20 0 BHADHN Cc1csc(CNCc2ccccc2C)c1 ZINC000379130564 353647543 /nfs/dbraw/zinc/64/75/43/353647543.db2.gz OYRPRZLCGOSKCT-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1csc(CN[C@@H](C)c2cccs2)c1 ZINC000379133618 353663793 /nfs/dbraw/zinc/66/37/93/353663793.db2.gz PZGOHXCEYWUJDH-JTQLQIEISA-N 0 3 237.393 3.969 20 0 BHADHN Cc1csc(CN[C@H](C)c2cccs2)c1 ZINC000379133619 353663704 /nfs/dbraw/zinc/66/37/04/353663704.db2.gz PZGOHXCEYWUJDH-SNVBAGLBSA-N 0 3 237.393 3.969 20 0 BHADHN Cc1csc(CNCc2cccc(C)c2)c1 ZINC000379157640 355308703 /nfs/dbraw/zinc/30/87/03/355308703.db2.gz XGBCSWBEHKIZFP-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN CC(F)(F)CCNCc1ccc(C(F)F)cc1 ZINC000379167742 356413412 /nfs/dbraw/zinc/41/34/12/356413412.db2.gz JRONKXGBNHYSJT-UHFFFAOYSA-N 0 3 249.251 3.759 20 0 BHADHN CC(C)c1ccc(CNCCC(C)(F)F)cc1 ZINC000379169251 356428086 /nfs/dbraw/zinc/42/80/86/356428086.db2.gz KELVVGDNAVVRQT-UHFFFAOYSA-N 0 3 241.325 3.945 20 0 BHADHN Cc1csc(CNCc2cc(C)ccc2C)c1 ZINC000379249394 356438278 /nfs/dbraw/zinc/43/82/78/356438278.db2.gz BIEPQLNEIDECNN-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1csc(CNCc2ccc(C)c(C)c2)c1 ZINC000379253828 371063977 /nfs/dbraw/zinc/06/39/77/371063977.db2.gz DGMKZTQXAABGHR-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1csc(CNCc2ccc(F)cc2C)c1 ZINC000379257494 356438265 /nfs/dbraw/zinc/43/82/65/356438265.db2.gz FZMUTPIJXMGTAF-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1csc(CNCc2ccc(C)cc2C)c1 ZINC000379263058 356437336 /nfs/dbraw/zinc/43/73/36/356437336.db2.gz ILBHKKDZJYPCTJ-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1csc(CNC/C=C/c2ccccc2)c1 ZINC000379263382 371065067 /nfs/dbraw/zinc/06/50/67/371065067.db2.gz INZDWZOAOGEYTC-VMPITWQZSA-N 0 3 243.375 3.860 20 0 BHADHN Cc1csc(CNC/C=C\c2ccccc2)c1 ZINC000379263388 371065472 /nfs/dbraw/zinc/06/54/72/371065472.db2.gz INZDWZOAOGEYTC-YVMONPNESA-N 0 3 243.375 3.860 20 0 BHADHN Cc1ccc(CNCCC(C)(F)F)cc1Cl ZINC000379269041 356440792 /nfs/dbraw/zinc/44/07/92/356440792.db2.gz TYZQRHUISJXGJI-UHFFFAOYSA-N 0 3 247.716 3.783 20 0 BHADHN Cc1csc(CNCc2cc(F)ccc2C)c1 ZINC000379269844 356440538 /nfs/dbraw/zinc/44/05/38/356440538.db2.gz LNIARMNQBXFPRR-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1csc(CNCc2ccc(F)c(C)c2)c1 ZINC000379271270 356440564 /nfs/dbraw/zinc/44/05/64/356440564.db2.gz MGXLTBFKPCQILH-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN CCCCCNCc1sccc1Cl ZINC000379342163 356447848 /nfs/dbraw/zinc/44/78/48/356447848.db2.gz CFVRZBHBHKBROD-UHFFFAOYSA-N 0 3 217.765 3.681 20 0 BHADHN CCCCCNCc1ccsc1Cl ZINC000379394220 356468651 /nfs/dbraw/zinc/46/86/51/356468651.db2.gz WSZOFTQDFOWLNL-UHFFFAOYSA-N 0 3 217.765 3.681 20 0 BHADHN CCC(C)(C)NCc1ccsc1Cl ZINC000379411776 356955139 /nfs/dbraw/zinc/95/51/39/356955139.db2.gz IVOGKBYCQDFUTG-UHFFFAOYSA-N 0 3 217.765 3.680 20 0 BHADHN CC(C)(C)CNCc1ccsc1Cl ZINC000379412380 357004366 /nfs/dbraw/zinc/00/43/66/357004366.db2.gz JZXRCLIPDROEFZ-UHFFFAOYSA-N 0 3 217.765 3.537 20 0 BHADHN Clc1ccccc1CN[C@@H]1CC[C@H]1C1CC1 ZINC000379453750 358488568 /nfs/dbraw/zinc/48/85/68/358488568.db2.gz LXQOWOMKDTZYNV-GXTWGEPZSA-N 0 3 235.758 3.618 20 0 BHADHN Clc1ccccc1CN[C@H]1CC[C@H]1C1CC1 ZINC000379453753 358488450 /nfs/dbraw/zinc/48/84/50/358488450.db2.gz LXQOWOMKDTZYNV-JSGCOSHPSA-N 0 3 235.758 3.618 20 0 BHADHN Clc1ccccc1CN[C@H]1CC[C@@H]1C1CC1 ZINC000379453755 358488500 /nfs/dbraw/zinc/48/85/00/358488500.db2.gz LXQOWOMKDTZYNV-OCCSQVGLSA-N 0 3 235.758 3.618 20 0 BHADHN Clc1ccccc1CN[C@@H]1CC[C@@H]1C1CC1 ZINC000379453756 358488442 /nfs/dbraw/zinc/48/84/42/358488442.db2.gz LXQOWOMKDTZYNV-TZMCWYRMSA-N 0 3 235.758 3.618 20 0 BHADHN Cc1cc([C@H](C)NC/C=C\Cl)c(C)s1 ZINC000379487687 712386034 /nfs/dbraw/zinc/38/60/34/712386034.db2.gz CGPLKGCEELMHSG-WBSSQXGSSA-N 0 3 229.776 3.768 20 0 BHADHN Cc1cc([C@@H](C)NC/C=C\Cl)c(C)s1 ZINC000379487694 712386020 /nfs/dbraw/zinc/38/60/20/712386020.db2.gz CGPLKGCEELMHSG-XRVBUDJMSA-N 0 3 229.776 3.768 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(Cl)cc1 ZINC000379487904 343565283 /nfs/dbraw/zinc/56/52/83/343565283.db2.gz KOCQYBZOVBEWBY-XOULXFPDSA-N 0 3 209.720 3.567 20 0 BHADHN CCC(C)(C)CNCc1sccc1Cl ZINC000379492806 358498178 /nfs/dbraw/zinc/49/81/78/358498178.db2.gz SWPKVZBIGMTEDN-UHFFFAOYSA-N 0 3 231.792 3.927 20 0 BHADHN CC(C)CCCNCc1sccc1Cl ZINC000379492826 358498066 /nfs/dbraw/zinc/49/80/66/358498066.db2.gz SXXNDMMNQPVIMU-UHFFFAOYSA-N 0 3 231.792 3.927 20 0 BHADHN CC(C)(NCc1sccc1Cl)C1CC1 ZINC000379515322 358533531 /nfs/dbraw/zinc/53/35/31/358533531.db2.gz XDUWMJYXOGVYBS-UHFFFAOYSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@@H](NCC1=CCCCC1)c1ccsc1 ZINC000379566739 359546037 /nfs/dbraw/zinc/54/60/37/359546037.db2.gz IPOBYFIKSAJDCV-LLVKDONJSA-N 0 3 221.369 3.899 20 0 BHADHN C[C@H](NCC1=CCCCC1)c1ccsc1 ZINC000379566741 359545783 /nfs/dbraw/zinc/54/57/83/359545783.db2.gz IPOBYFIKSAJDCV-NSHDSACASA-N 0 3 221.369 3.899 20 0 BHADHN Cc1sccc1CNCC1=CCCCC1 ZINC000379569833 387586929 /nfs/dbraw/zinc/58/69/29/387586929.db2.gz OUYGQTKOQMAPHM-UHFFFAOYSA-N 0 3 221.369 3.647 20 0 BHADHN C[C@@H](NCC1=CCCCC1)c1cccs1 ZINC000379571715 359549044 /nfs/dbraw/zinc/54/90/44/359549044.db2.gz RHYIHHLIHLIVJD-LLVKDONJSA-N 0 3 221.369 3.899 20 0 BHADHN C[C@H](NCC1=CCCCC1)c1cccs1 ZINC000379571716 359549050 /nfs/dbraw/zinc/54/90/50/359549050.db2.gz RHYIHHLIHLIVJD-NSHDSACASA-N 0 3 221.369 3.899 20 0 BHADHN CC[C@H](NCC1=CCCCC1)c1ccc(F)cn1 ZINC000379575141 359549064 /nfs/dbraw/zinc/54/90/64/359549064.db2.gz XNAYXENUVQMIJG-AWEZNQCLSA-N 0 3 248.345 3.762 20 0 BHADHN CC[C@@H](NCC1=CCCCC1)c1ccc(F)cn1 ZINC000379575142 359549281 /nfs/dbraw/zinc/54/92/81/359549281.db2.gz XNAYXENUVQMIJG-CQSZACIVSA-N 0 3 248.345 3.762 20 0 BHADHN Cc1ccc([C@@H](C)NCC2=CCCCC2)o1 ZINC000379579175 359552858 /nfs/dbraw/zinc/55/28/58/359552858.db2.gz HAVPUURZJMCAKY-GFCCVEGCSA-N 0 3 219.328 3.739 20 0 BHADHN Cc1ccc([C@H](C)NCC2=CCCCC2)o1 ZINC000379579178 359552879 /nfs/dbraw/zinc/55/28/79/359552879.db2.gz HAVPUURZJMCAKY-LBPRGKRZSA-N 0 3 219.328 3.739 20 0 BHADHN c1cc2ccc(CNCC3=CCCCC3)cc2[nH]1 ZINC000379579452 359552430 /nfs/dbraw/zinc/55/24/30/359552430.db2.gz HQOINMQSOFESIH-UHFFFAOYSA-N 0 3 240.350 3.758 20 0 BHADHN c1cnc2c(c1)CCC[C@@H]2NCC1=CCCCC1 ZINC000379581069 398154936 /nfs/dbraw/zinc/15/49/36/398154936.db2.gz KPTXZLQKUSMYJX-HNNXBMFYSA-N 0 3 242.366 3.549 20 0 BHADHN c1cnc2c(c1)CCC[C@H]2NCC1=CCCCC1 ZINC000379581070 398155619 /nfs/dbraw/zinc/15/56/19/398155619.db2.gz KPTXZLQKUSMYJX-OAHLLOKOSA-N 0 3 242.366 3.549 20 0 BHADHN C[C@@H](NCC1=CCCCC1)c1cccc(O)c1 ZINC000379587267 359560501 /nfs/dbraw/zinc/56/05/01/359560501.db2.gz LTPJMUDLWBKRIJ-GFCCVEGCSA-N 0 3 231.339 3.543 20 0 BHADHN C[C@H](NCC1=CCCCC1)c1cccc(O)c1 ZINC000379587268 359561214 /nfs/dbraw/zinc/56/12/14/359561214.db2.gz LTPJMUDLWBKRIJ-LBPRGKRZSA-N 0 3 231.339 3.543 20 0 BHADHN Cl/C=C/CN[C@H](c1cccs1)C1CC1 ZINC000379594344 712389729 /nfs/dbraw/zinc/38/97/29/712389729.db2.gz COHKCHVAQUBANO-GSQGTZRGSA-N 0 3 227.760 3.541 20 0 BHADHN Cl/C=C/CN[C@@H](c1cccs1)C1CC1 ZINC000379594345 711804443 /nfs/dbraw/zinc/80/44/43/711804443.db2.gz COHKCHVAQUBANO-SZHMKSFOSA-N 0 3 227.760 3.541 20 0 BHADHN Cl/C=C\CN[C@@H](c1cccs1)C1CC1 ZINC000379594346 711804420 /nfs/dbraw/zinc/80/44/20/711804420.db2.gz COHKCHVAQUBANO-WPPTZLTKSA-N 0 3 227.760 3.541 20 0 BHADHN Cl/C=C\CN[C@H](c1cccs1)C1CC1 ZINC000379594347 711804429 /nfs/dbraw/zinc/80/44/29/711804429.db2.gz COHKCHVAQUBANO-ZYVOWACSSA-N 0 3 227.760 3.541 20 0 BHADHN CC(C)c1ccc(CNC/C=C\Cl)cc1 ZINC000379603848 712390455 /nfs/dbraw/zinc/39/04/55/712390455.db2.gz BKWWEGBAMXRTDV-BAQGIRSFSA-N 0 3 223.747 3.652 20 0 BHADHN CC(C)=CCCNCc1ccsc1Cl ZINC000379609427 359566945 /nfs/dbraw/zinc/56/69/45/359566945.db2.gz SAZJGDPELMTOEJ-UHFFFAOYSA-N 0 3 229.776 3.847 20 0 BHADHN CC(C)C[C@@H](C)NCc1ccsc1Cl ZINC000379609851 359566893 /nfs/dbraw/zinc/56/68/93/359566893.db2.gz SNXQOGXOULHYST-SECBINFHSA-N 0 3 231.792 3.926 20 0 BHADHN CC(C)C[C@H](C)NCc1ccsc1Cl ZINC000379609856 359566014 /nfs/dbraw/zinc/56/60/14/359566014.db2.gz SNXQOGXOULHYST-VIFPVBQESA-N 0 3 231.792 3.926 20 0 BHADHN CCSCCCNCc1cscc1Cl ZINC000379614845 343584571 /nfs/dbraw/zinc/58/45/71/343584571.db2.gz YATCAKKVEIQBBK-UHFFFAOYSA-N 0 3 249.832 3.634 20 0 BHADHN CC(C)=CCCNCc1cscc1Cl ZINC000379620464 538978604 /nfs/dbraw/zinc/97/86/04/538978604.db2.gz DSBDTQQKXDISMF-UHFFFAOYSA-N 0 3 229.776 3.847 20 0 BHADHN CCc1ccc([C@@H](C)NC/C=C\Cl)cc1 ZINC000379644150 712390943 /nfs/dbraw/zinc/39/09/43/712390943.db2.gz UKLQEAJORYBYIW-KSHIFHCESA-N 0 3 223.747 3.652 20 0 BHADHN CCc1ccc([C@H](C)NC/C=C\Cl)cc1 ZINC000379644153 712390770 /nfs/dbraw/zinc/39/07/70/712390770.db2.gz UKLQEAJORYBYIW-NJHLSQGMSA-N 0 3 223.747 3.652 20 0 BHADHN CCC1(NCc2cc(F)cc(Cl)c2)CC1 ZINC000379722510 361359649 /nfs/dbraw/zinc/35/96/49/361359649.db2.gz JMWAMGRIFXBBCZ-UHFFFAOYSA-N 0 3 227.710 3.511 20 0 BHADHN CCC1(NCc2ccc(Cl)cc2F)CC1 ZINC000379727425 361363260 /nfs/dbraw/zinc/36/32/60/361363260.db2.gz XVKBCEUHCDTTGQ-UHFFFAOYSA-N 0 3 227.710 3.511 20 0 BHADHN CCC1(NCc2cc(Cl)ccc2F)CC1 ZINC000379728452 361366806 /nfs/dbraw/zinc/36/68/06/361366806.db2.gz CAEIIGYOVOTJTL-UHFFFAOYSA-N 0 3 227.710 3.511 20 0 BHADHN CCC1(NCc2ccc(Cl)c(F)c2)CC1 ZINC000379729370 361367731 /nfs/dbraw/zinc/36/77/31/361367731.db2.gz HUNGLYQHBIQULA-UHFFFAOYSA-N 0 3 227.710 3.511 20 0 BHADHN CCC1(NCc2ccc(F)cc2Cl)CC1 ZINC000379730748 361369887 /nfs/dbraw/zinc/36/98/87/361369887.db2.gz OTFQKJCXAWXQRB-UHFFFAOYSA-N 0 3 227.710 3.511 20 0 BHADHN CCC1(NCc2cccc(Cl)c2F)CC1 ZINC000379730759 361369568 /nfs/dbraw/zinc/36/95/68/361369568.db2.gz OURNRVNOACUDKN-UHFFFAOYSA-N 0 3 227.710 3.511 20 0 BHADHN Cc1cccnc1CN[C@H](C)CCC(C)(C)C ZINC000379732048 411318785 /nfs/dbraw/zinc/31/87/85/411318785.db2.gz WYMAYTJYGCFACX-CYBMUJFWSA-N 0 3 234.387 3.694 20 0 BHADHN Cc1cccnc1CN[C@@H](C)CCC(C)(C)C ZINC000379732049 411318684 /nfs/dbraw/zinc/31/86/84/411318684.db2.gz WYMAYTJYGCFACX-ZDUSSCGKSA-N 0 3 234.387 3.694 20 0 BHADHN CC(C)C1(NCc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000379735368 398163905 /nfs/dbraw/zinc/16/39/05/398163905.db2.gz IVDWGSSJPISMLY-AAEUAGOBSA-N 0 3 233.355 3.681 20 0 BHADHN CC(C)C1(NCc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000379735369 398163919 /nfs/dbraw/zinc/16/39/19/398163919.db2.gz IVDWGSSJPISMLY-DGCLKSJQSA-N 0 3 233.355 3.681 20 0 BHADHN CC(C)C1(NCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000379735370 398164143 /nfs/dbraw/zinc/16/41/43/398164143.db2.gz IVDWGSSJPISMLY-WCQYABFASA-N 0 3 233.355 3.681 20 0 BHADHN CC(C)C1(NCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000379735371 398164010 /nfs/dbraw/zinc/16/40/10/398164010.db2.gz IVDWGSSJPISMLY-YPMHNXCESA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H](N[C@@H]1CCC1(C)C)c1c(F)cccc1F ZINC000379750115 361488917 /nfs/dbraw/zinc/48/89/17/361488917.db2.gz JSLXJKKKELYLGX-BXKDBHETSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CCC1(C)C)c1c(F)cccc1F ZINC000379750116 361488367 /nfs/dbraw/zinc/48/83/67/361488367.db2.gz JSLXJKKKELYLGX-CABZTGNLSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CCC1(C)C)c1c(F)cccc1F ZINC000379750117 361488546 /nfs/dbraw/zinc/48/85/46/361488546.db2.gz JSLXJKKKELYLGX-JOYOIKCWSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H]1CCC1(C)C)c1c(F)cccc1F ZINC000379750118 361488605 /nfs/dbraw/zinc/48/86/05/361488605.db2.gz JSLXJKKKELYLGX-SKDRFNHKSA-N 0 3 239.309 3.804 20 0 BHADHN CCc1ccccc1CNCc1csc(C)c1 ZINC000379783777 365265364 /nfs/dbraw/zinc/26/53/64/365265364.db2.gz YFQZPWQYRTVIJX-UHFFFAOYSA-N 0 3 245.391 3.909 20 0 BHADHN CC(C)(C)C(C)(C)NCc1cccc(F)c1F ZINC000379809403 365277731 /nfs/dbraw/zinc/27/77/31/365277731.db2.gz OVPPJHIVAAWUCV-UHFFFAOYSA-N 0 3 241.325 3.879 20 0 BHADHN Cc1sccc1CN[C@H](C)c1ccsc1 ZINC000379889893 398175515 /nfs/dbraw/zinc/17/55/15/398175515.db2.gz ZVJUDLAFLIGVTE-SECBINFHSA-N 0 3 237.393 3.969 20 0 BHADHN Cc1sccc1CN[C@@H](C)c1ccsc1 ZINC000379889896 398175164 /nfs/dbraw/zinc/17/51/64/398175164.db2.gz ZVJUDLAFLIGVTE-VIFPVBQESA-N 0 3 237.393 3.969 20 0 BHADHN C[C@@H]1CC[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000379902971 365475228 /nfs/dbraw/zinc/47/52/28/365475228.db2.gz GQDIUPPHPHTOTQ-PELKAZGASA-N 0 3 244.165 3.882 20 0 BHADHN C[C@@H]1CC[C@H]1NCc1ccc(Cl)cc1Cl ZINC000379902973 365474983 /nfs/dbraw/zinc/47/49/83/365474983.db2.gz GQDIUPPHPHTOTQ-PRHODGIISA-N 0 3 244.165 3.882 20 0 BHADHN C[C@H]1CC[C@H]1NCc1ccc(Cl)cc1Cl ZINC000379902974 365475011 /nfs/dbraw/zinc/47/50/11/365475011.db2.gz GQDIUPPHPHTOTQ-QPUJVOFHSA-N 0 3 244.165 3.882 20 0 BHADHN C[C@H]1CC[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000379902975 365474650 /nfs/dbraw/zinc/47/46/50/365474650.db2.gz GQDIUPPHPHTOTQ-UFBFGSQYSA-N 0 3 244.165 3.882 20 0 BHADHN C/C=C\CN[C@H](C)c1cc(C)cc(C)c1 ZINC000379914486 584883111 /nfs/dbraw/zinc/88/31/11/584883111.db2.gz AVXJQURZXDTULL-CFHLNLSMSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C/CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000379914487 584883139 /nfs/dbraw/zinc/88/31/39/584883139.db2.gz AVXJQURZXDTULL-GFUIURDCSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C\CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000379914488 584883035 /nfs/dbraw/zinc/88/30/35/584883035.db2.gz AVXJQURZXDTULL-SZZPACECSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C/CN[C@H](C)c1cc(C)cc(C)c1 ZINC000379914489 584883070 /nfs/dbraw/zinc/88/30/70/584883070.db2.gz AVXJQURZXDTULL-URWSZGRFSA-N 0 3 203.329 3.530 20 0 BHADHN CCCCCN[C@](C)(CC)c1nccs1 ZINC000379916184 365673719 /nfs/dbraw/zinc/67/37/19/365673719.db2.gz CJCUUEQGOHKYHT-GFCCVEGCSA-N 0 3 226.389 3.548 20 0 BHADHN CCCCCN[C@@](C)(CC)c1nccs1 ZINC000379916187 365673335 /nfs/dbraw/zinc/67/33/35/365673335.db2.gz CJCUUEQGOHKYHT-LBPRGKRZSA-N 0 3 226.389 3.548 20 0 BHADHN CCc1cccc(Cl)c1CNC1CCC1 ZINC000379923504 365751104 /nfs/dbraw/zinc/75/11/04/365751104.db2.gz JOBSZVYJVNJUKF-UHFFFAOYSA-N 0 3 223.747 3.545 20 0 BHADHN Cc1cccc(C(C)(C)NC/C=C\Cl)c1 ZINC000379968411 712640948 /nfs/dbraw/zinc/64/09/48/712640948.db2.gz AAQNDQYOTGWNPE-YVMONPNESA-N 0 3 223.747 3.572 20 0 BHADHN CCCC[C@@H](C)[C@H](C)NCc1ccco1 ZINC000379972461 365768916 /nfs/dbraw/zinc/76/89/16/365768916.db2.gz BUBAIQMCEIAFRC-NEPJUHHUSA-N 0 3 209.333 3.584 20 0 BHADHN CCCC[C@H](C)[C@@H](C)NCc1ccco1 ZINC000379972463 365769069 /nfs/dbraw/zinc/76/90/69/365769069.db2.gz BUBAIQMCEIAFRC-NWDGAFQWSA-N 0 3 209.333 3.584 20 0 BHADHN CCCC[C@H](C)[C@H](C)NCc1ccco1 ZINC000379972464 365769183 /nfs/dbraw/zinc/76/91/83/365769183.db2.gz BUBAIQMCEIAFRC-RYUDHWBXSA-N 0 3 209.333 3.584 20 0 BHADHN CCCC[C@@H](C)[C@@H](C)NCc1ccco1 ZINC000379972465 365769229 /nfs/dbraw/zinc/76/92/29/365769229.db2.gz BUBAIQMCEIAFRC-VXGBXAGGSA-N 0 3 209.333 3.584 20 0 BHADHN Clc1sccc1CNC[C@@H]1C[C@H]1C1CC1 ZINC000379996498 365788017 /nfs/dbraw/zinc/78/80/17/365788017.db2.gz JTKCWJPEKPYZBB-QWRGUYRKSA-N 0 3 241.787 3.537 20 0 BHADHN CC[C@H](F)CN[C@@H](c1cccs1)C1CC1 ZINC000380017315 365808041 /nfs/dbraw/zinc/80/80/41/365808041.db2.gz UQHGEXOOGHJEMP-CMPLNLGQSA-N 0 3 227.348 3.537 20 0 BHADHN CC[C@H](F)CN[C@H](c1cccs1)C1CC1 ZINC000380017317 365808141 /nfs/dbraw/zinc/80/81/41/365808141.db2.gz UQHGEXOOGHJEMP-JQWIXIFHSA-N 0 3 227.348 3.537 20 0 BHADHN CC[C@@H](F)CN[C@H](c1cccs1)C1CC1 ZINC000380017319 365808194 /nfs/dbraw/zinc/80/81/94/365808194.db2.gz UQHGEXOOGHJEMP-PWSUYJOCSA-N 0 3 227.348 3.537 20 0 BHADHN CC[C@@H](F)CN[C@@H](c1cccs1)C1CC1 ZINC000380017320 365808137 /nfs/dbraw/zinc/80/81/37/365808137.db2.gz UQHGEXOOGHJEMP-ZYHUDNBSSA-N 0 3 227.348 3.537 20 0 BHADHN CC(C)(CC(F)(F)F)NCc1ccsc1 ZINC000380071739 538984076 /nfs/dbraw/zinc/98/40/76/538984076.db2.gz DLEYRQABHKJEMG-UHFFFAOYSA-N 0 3 237.290 3.569 20 0 BHADHN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccsc1 ZINC000380075620 538984789 /nfs/dbraw/zinc/98/47/89/538984789.db2.gz FFXOYFOKXADWEM-PSASIEDQSA-N 0 3 231.311 3.587 20 0 BHADHN C[C@@H](N[C@H]1CCC(F)(F)C1)c1ccsc1 ZINC000380075621 538984762 /nfs/dbraw/zinc/98/47/62/538984762.db2.gz FFXOYFOKXADWEM-SCZZXKLOSA-N 0 3 231.311 3.587 20 0 BHADHN C[C@H](N[C@@H]1CCC(F)(F)C1)c1ccsc1 ZINC000380075623 538984883 /nfs/dbraw/zinc/98/48/83/538984883.db2.gz FFXOYFOKXADWEM-WCBMZHEXSA-N 0 3 231.311 3.587 20 0 BHADHN C[C@H](N[C@H]1CCC(F)(F)C1)c1ccsc1 ZINC000380075628 538984665 /nfs/dbraw/zinc/98/46/65/538984665.db2.gz FFXOYFOKXADWEM-WPRPVWTQSA-N 0 3 231.311 3.587 20 0 BHADHN Cc1cccc([C@H](C)NC/C=C\Cl)c1C ZINC000380093862 712685513 /nfs/dbraw/zinc/68/55/13/712685513.db2.gz JRNUGGHVAFGDDQ-JECSTDCCSA-N 0 3 223.747 3.707 20 0 BHADHN Cc1cccc([C@@H](C)NC/C=C\Cl)c1C ZINC000380093872 712685596 /nfs/dbraw/zinc/68/55/96/712685596.db2.gz JRNUGGHVAFGDDQ-VVEJJEBESA-N 0 3 223.747 3.707 20 0 BHADHN CC1(C)CC(CNCc2cscc2Cl)C1 ZINC000380096006 538985137 /nfs/dbraw/zinc/98/51/37/538985137.db2.gz KHHCMLZDAQKERA-UHFFFAOYSA-N 0 3 243.803 3.927 20 0 BHADHN CC(C)C[C@@H](NC1CSC1)c1cccs1 ZINC000380138432 538985893 /nfs/dbraw/zinc/98/58/93/538985893.db2.gz VBPOPVPJPFNAJN-LLVKDONJSA-N 0 3 241.425 3.540 20 0 BHADHN CC(C)C[C@H](NC1CSC1)c1cccs1 ZINC000380138441 538985934 /nfs/dbraw/zinc/98/59/34/538985934.db2.gz VBPOPVPJPFNAJN-NSHDSACASA-N 0 3 241.425 3.540 20 0 BHADHN CC1(C)CC(CNCc2sccc2Cl)C1 ZINC000380147267 343683630 /nfs/dbraw/zinc/68/36/30/343683630.db2.gz WZSMRBOFBQARTB-UHFFFAOYSA-N 0 3 243.803 3.927 20 0 BHADHN Cc1ccsc1[C@@H](C)N[C@@H]1CSC1(C)C ZINC000380158267 350421874 /nfs/dbraw/zinc/42/18/74/350421874.db2.gz ZVACFRRVLZHQGG-NXEZZACHSA-N 0 3 241.425 3.601 20 0 BHADHN Cc1ccsc1[C@H](C)N[C@H]1CSC1(C)C ZINC000380158268 350422148 /nfs/dbraw/zinc/42/21/48/350422148.db2.gz ZVACFRRVLZHQGG-UWVGGRQHSA-N 0 3 241.425 3.601 20 0 BHADHN Cc1ccsc1[C@H](C)N[C@@H]1CSC1(C)C ZINC000380158274 350421884 /nfs/dbraw/zinc/42/18/84/350421884.db2.gz ZVACFRRVLZHQGG-VHSXEESVSA-N 0 3 241.425 3.601 20 0 BHADHN Cc1ccsc1[C@@H](C)N[C@H]1CSC1(C)C ZINC000380158278 350421969 /nfs/dbraw/zinc/42/19/69/350421969.db2.gz ZVACFRRVLZHQGG-ZJUUUORDSA-N 0 3 241.425 3.601 20 0 BHADHN CC(C)=CCCNCc1ccccc1Cl ZINC000380163162 346322710 /nfs/dbraw/zinc/32/27/10/346322710.db2.gz BTUJMMQIRCFGRK-UHFFFAOYSA-N 0 3 223.747 3.786 20 0 BHADHN C/C=C\CN[C@@H](CC)c1ccc(Cl)cc1 ZINC000380167424 398189894 /nfs/dbraw/zinc/18/98/94/398189894.db2.gz FHYCNISBWNGPGE-DXTPNHAXSA-N 0 3 223.747 3.957 20 0 BHADHN C/C=C\CN[C@H](CC)c1ccc(Cl)cc1 ZINC000380167427 398189790 /nfs/dbraw/zinc/18/97/90/398189790.db2.gz FHYCNISBWNGPGE-HSBHDXMMSA-N 0 3 223.747 3.957 20 0 BHADHN C/C=C/CN[C@@H](CC)c1ccc(Cl)cc1 ZINC000380167428 397775932 /nfs/dbraw/zinc/77/59/32/397775932.db2.gz FHYCNISBWNGPGE-LQPUYASZSA-N 0 3 223.747 3.957 20 0 BHADHN C/C=C/CN[C@H](CC)c1ccc(Cl)cc1 ZINC000380167429 398190052 /nfs/dbraw/zinc/19/00/52/398190052.db2.gz FHYCNISBWNGPGE-MASHWEEQSA-N 0 3 223.747 3.957 20 0 BHADHN Clc1cscc1CNC[C@@H]1C[C@H]1C1CC1 ZINC000380169443 398189703 /nfs/dbraw/zinc/18/97/03/398189703.db2.gz GNPIAZWRFYIQES-ONGXEEELSA-N 0 3 241.787 3.537 20 0 BHADHN C/C=C/CN[C@@H](C)c1cc(C)ccc1C ZINC000380206579 346853124 /nfs/dbraw/zinc/85/31/24/346853124.db2.gz WPDZTTWLYGHCCC-GFUIURDCSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C\CN[C@@H](C)c1cc(C)ccc1C ZINC000380206587 343692836 /nfs/dbraw/zinc/69/28/36/343692836.db2.gz WPDZTTWLYGHCCC-SZZPACECSA-N 0 3 203.329 3.530 20 0 BHADHN CSc1ccc([C@H](C)NC/C=C/Cl)cc1 ZINC000380249462 712846087 /nfs/dbraw/zinc/84/60/87/712846087.db2.gz OWLYHJXBOWEOLK-ANRVEHPFSA-N 0 3 241.787 3.812 20 0 BHADHN CSc1ccc([C@H](C)NC/C=C\Cl)cc1 ZINC000380249464 712846177 /nfs/dbraw/zinc/84/61/77/712846177.db2.gz OWLYHJXBOWEOLK-GJQXAKHRSA-N 0 3 241.787 3.812 20 0 BHADHN CSc1ccccc1[C@@H](C)NC/C=C\Cl ZINC000380259799 712849005 /nfs/dbraw/zinc/84/90/05/712849005.db2.gz REHNRKMRTFUSKV-DAGBOUIGSA-N 0 3 241.787 3.812 20 0 BHADHN CSc1ccccc1[C@@H](C)NC/C=C/Cl ZINC000380259800 712848740 /nfs/dbraw/zinc/84/87/40/712848740.db2.gz REHNRKMRTFUSKV-VHODGJRUSA-N 0 3 241.787 3.812 20 0 BHADHN C[C@H](CCc1ccc(Cl)s1)N[C@@H](C)CF ZINC000380273250 367169674 /nfs/dbraw/zinc/16/96/74/367169674.db2.gz WYPWMZOJJCMBTH-BDAKNGLRSA-N 0 3 249.782 3.670 20 0 BHADHN C[C@H](CF)N[C@@H](C)CCc1ccc(Cl)s1 ZINC000380273258 344744242 /nfs/dbraw/zinc/74/42/42/344744242.db2.gz WYPWMZOJJCMBTH-DTWKUNHWSA-N 0 3 249.782 3.670 20 0 BHADHN C[C@@H](CF)N[C@@H](C)CCc1ccc(Cl)s1 ZINC000380273298 367168917 /nfs/dbraw/zinc/16/89/17/367168917.db2.gz WYPWMZOJJCMBTH-IUCAKERBSA-N 0 3 249.782 3.670 20 0 BHADHN C[C@H](CF)N[C@H](C)CCc1ccc(Cl)s1 ZINC000380273303 345256161 /nfs/dbraw/zinc/25/61/61/345256161.db2.gz WYPWMZOJJCMBTH-RKDXNWHRSA-N 0 3 249.782 3.670 20 0 BHADHN CCC1CC(NCc2ccccc2Cl)C1 ZINC000380323370 346419202 /nfs/dbraw/zinc/41/92/02/346419202.db2.gz LCJPQDZTKWFXRL-UHFFFAOYSA-N 0 3 223.747 3.618 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1cc(C)c(C)o1 ZINC000380328935 487471556 /nfs/dbraw/zinc/47/15/56/487471556.db2.gz NHJXRIFVCJFPJR-GHMZBOCLSA-N 0 3 209.333 3.736 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1cc(C)c(C)o1 ZINC000380328936 487471693 /nfs/dbraw/zinc/47/16/93/487471693.db2.gz NHJXRIFVCJFPJR-MNOVXSKESA-N 0 3 209.333 3.736 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1cc(C)c(C)o1 ZINC000380328937 487471486 /nfs/dbraw/zinc/47/14/86/487471486.db2.gz NHJXRIFVCJFPJR-QWRGUYRKSA-N 0 3 209.333 3.736 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1cc(C)c(C)o1 ZINC000380328938 487471753 /nfs/dbraw/zinc/47/17/53/487471753.db2.gz NHJXRIFVCJFPJR-WDEREUQCSA-N 0 3 209.333 3.736 20 0 BHADHN CSc1ccccc1[C@H](C)NC/C=C\Cl ZINC000380339594 712888187 /nfs/dbraw/zinc/88/81/87/712888187.db2.gz REHNRKMRTFUSKV-NVDWLVSRSA-N 0 3 241.787 3.812 20 0 BHADHN CSc1ccccc1[C@H](C)NC/C=C/Cl ZINC000380339595 712888363 /nfs/dbraw/zinc/88/83/63/712888363.db2.gz REHNRKMRTFUSKV-YVFTVSHDSA-N 0 3 241.787 3.812 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1ccc(F)cc1Cl ZINC000380611309 367259892 /nfs/dbraw/zinc/25/98/92/367259892.db2.gz YFAVSSNRSGGSDH-MWODSPESSA-N 0 3 241.737 3.928 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H]1C)c1ccc(F)cc1Cl ZINC000380611310 367260119 /nfs/dbraw/zinc/26/01/19/367260119.db2.gz YFAVSSNRSGGSDH-RVBZMBCESA-N 0 3 241.737 3.928 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H]1C)c1ccc(F)cc1Cl ZINC000380611311 367260441 /nfs/dbraw/zinc/26/04/41/367260441.db2.gz YFAVSSNRSGGSDH-VYUIOLGVSA-N 0 3 241.737 3.928 20 0 BHADHN C[C@H](N[C@H]1CC[C@H]1C)c1ccc(F)cc1Cl ZINC000380611312 367260001 /nfs/dbraw/zinc/26/00/01/367260001.db2.gz YFAVSSNRSGGSDH-ZDMBXUJBSA-N 0 3 241.737 3.928 20 0 BHADHN CC1(C)CC[C@H]1NCc1cc(Cl)ccc1F ZINC000380690720 367279885 /nfs/dbraw/zinc/27/98/85/367279885.db2.gz IPVWDFOTDFXBBR-GFCCVEGCSA-N 0 3 241.737 3.757 20 0 BHADHN CC1(C)CC[C@@H]1NCc1cc(Cl)ccc1F ZINC000380690728 367279667 /nfs/dbraw/zinc/27/96/67/367279667.db2.gz IPVWDFOTDFXBBR-LBPRGKRZSA-N 0 3 241.737 3.757 20 0 BHADHN C[C@H](N[C@H]1CCC1(C)C)c1ccccc1F ZINC000380797052 367305132 /nfs/dbraw/zinc/30/51/32/367305132.db2.gz GSNZYDATEBOWHP-GWCFXTLKSA-N 0 3 221.319 3.665 20 0 BHADHN C[C@H](N[C@@H]1CCC1(C)C)c1ccccc1F ZINC000380797055 367304858 /nfs/dbraw/zinc/30/48/58/367304858.db2.gz GSNZYDATEBOWHP-GXFFZTMASA-N 0 3 221.319 3.665 20 0 BHADHN C[C@@H](N[C@H]1CCC1(C)C)c1ccccc1F ZINC000380797057 367304506 /nfs/dbraw/zinc/30/45/06/367304506.db2.gz GSNZYDATEBOWHP-MFKMUULPSA-N 0 3 221.319 3.665 20 0 BHADHN C[C@@H](N[C@@H]1CCC1(C)C)c1ccccc1F ZINC000380797059 367304662 /nfs/dbraw/zinc/30/46/62/367304662.db2.gz GSNZYDATEBOWHP-ZWNOBZJWSA-N 0 3 221.319 3.665 20 0 BHADHN CC1(C)CC[C@H]1NCc1c(F)cccc1Cl ZINC000380839081 367316895 /nfs/dbraw/zinc/31/68/95/367316895.db2.gz SVLAODYUGIRHTL-GFCCVEGCSA-N 0 3 241.737 3.757 20 0 BHADHN CC1(C)CC[C@@H]1NCc1c(F)cccc1Cl ZINC000380839084 367315954 /nfs/dbraw/zinc/31/59/54/367315954.db2.gz SVLAODYUGIRHTL-LBPRGKRZSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@@H](Cc1ccccc1)NCc1occc1C ZINC000380923202 367322930 /nfs/dbraw/zinc/32/29/30/367322930.db2.gz DNBZLUIXVIALJX-HNNXBMFYSA-N 0 3 243.350 3.699 20 0 BHADHN CC[C@H](Cc1ccccc1)NCc1occc1C ZINC000380923203 367323122 /nfs/dbraw/zinc/32/31/22/367323122.db2.gz DNBZLUIXVIALJX-OAHLLOKOSA-N 0 3 243.350 3.699 20 0 BHADHN FC1(F)CC[C@@H](NCc2ccc(Cl)cc2)C1 ZINC000381022343 538993703 /nfs/dbraw/zinc/99/37/03/538993703.db2.gz AMTONIALKITZSG-LLVKDONJSA-N 0 3 245.700 3.617 20 0 BHADHN FC1(F)CC[C@H](NCc2ccc(Cl)cc2)C1 ZINC000381022345 538994000 /nfs/dbraw/zinc/99/40/00/538994000.db2.gz AMTONIALKITZSG-NSHDSACASA-N 0 3 245.700 3.617 20 0 BHADHN C[C@@H]1CC[C@H]1NCc1cc(F)c(Cl)cc1F ZINC000381023289 710597168 /nfs/dbraw/zinc/59/71/68/710597168.db2.gz AUIAMYPPAUVUKJ-JMCQJSRRSA-N 0 3 245.700 3.506 20 0 BHADHN C[C@H]1CC[C@H]1NCc1cc(F)c(Cl)cc1F ZINC000381023291 710597893 /nfs/dbraw/zinc/59/78/93/710597893.db2.gz AUIAMYPPAUVUKJ-JVXZTZIISA-N 0 3 245.700 3.506 20 0 BHADHN C[C@@H]1CC[C@@H]1NCc1cc(F)c(Cl)cc1F ZINC000381023292 710597139 /nfs/dbraw/zinc/59/71/39/710597139.db2.gz AUIAMYPPAUVUKJ-KRTXAFLBSA-N 0 3 245.700 3.506 20 0 BHADHN C[C@H]1CC[C@@H]1NCc1cc(F)c(Cl)cc1F ZINC000381023293 710597413 /nfs/dbraw/zinc/59/74/13/710597413.db2.gz AUIAMYPPAUVUKJ-MADCSZMMSA-N 0 3 245.700 3.506 20 0 BHADHN CC(C)=CCNC1(c2cccc(Cl)c2)CC1 ZINC000381045434 367341994 /nfs/dbraw/zinc/34/19/94/367341994.db2.gz FNWJZIDNZLPHIG-UHFFFAOYSA-N 0 3 235.758 3.885 20 0 BHADHN Cc1cc(C)nc(N[C@@H]2CC[C@@H]2C(C)C)c1 ZINC000381125456 538994911 /nfs/dbraw/zinc/99/49/11/538994911.db2.gz JIQJNCYRHAXIKH-CHWSQXEVSA-N 0 3 218.344 3.545 20 0 BHADHN Cc1cc(C)nc(N[C@H]2CC[C@@H]2C(C)C)c1 ZINC000381125462 538995359 /nfs/dbraw/zinc/99/53/59/538995359.db2.gz JIQJNCYRHAXIKH-OLZOCXBDSA-N 0 3 218.344 3.545 20 0 BHADHN Cc1cc(C)nc(N[C@@H]2CC[C@H]2C(C)C)c1 ZINC000381125480 538995175 /nfs/dbraw/zinc/99/51/75/538995175.db2.gz JIQJNCYRHAXIKH-QWHCGFSZSA-N 0 3 218.344 3.545 20 0 BHADHN Cc1cc(C)nc(N[C@H]2CC[C@H]2C(C)C)c1 ZINC000381125493 538995104 /nfs/dbraw/zinc/99/51/04/538995104.db2.gz JIQJNCYRHAXIKH-STQMWFEESA-N 0 3 218.344 3.545 20 0 BHADHN CC(C)CC[C@@H](NCCCF)c1ccoc1 ZINC000381134156 344002274 /nfs/dbraw/zinc/00/22/74/344002274.db2.gz LJYVIRRYVYIYND-CYBMUJFWSA-N 0 3 227.323 3.706 20 0 BHADHN CC(C)CC[C@H](NCCCF)c1ccoc1 ZINC000381134157 344002374 /nfs/dbraw/zinc/00/23/74/344002374.db2.gz LJYVIRRYVYIYND-ZDUSSCGKSA-N 0 3 227.323 3.706 20 0 BHADHN CC(C)=CCN[C@H]1CCc2c1cccc2Cl ZINC000381143351 367356057 /nfs/dbraw/zinc/35/60/57/367356057.db2.gz NAVAZNOMQZYMQQ-AWEZNQCLSA-N 0 3 235.758 3.883 20 0 BHADHN CC(C)=CCN[C@@H]1CCc2c1cccc2Cl ZINC000381143353 367356136 /nfs/dbraw/zinc/35/61/36/367356136.db2.gz NAVAZNOMQZYMQQ-CQSZACIVSA-N 0 3 235.758 3.883 20 0 BHADHN CC(C)CCNCc1ncc(C(C)(C)C)s1 ZINC000381146993 631262815 /nfs/dbraw/zinc/26/28/15/631262815.db2.gz NZPXWKKDKTYXEG-UHFFFAOYSA-N 0 3 240.416 3.576 20 0 BHADHN Cc1ccccc1[C@@H](C)NCc1cccnc1C ZINC000381166566 344481443 /nfs/dbraw/zinc/48/14/43/344481443.db2.gz AOZAVCOVXOOGPA-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN CC(C)=CCNC(C)(C)c1ccccc1F ZINC000381173005 344102759 /nfs/dbraw/zinc/10/27/59/344102759.db2.gz UOMBBSKMLIAATP-UHFFFAOYSA-N 0 3 221.319 3.617 20 0 BHADHN CCC(C)(C)CN[C@@H](C)c1ccc(Cl)cn1 ZINC000381173578 344105035 /nfs/dbraw/zinc/10/50/35/344105035.db2.gz URBJSZCTOUSRPZ-JTQLQIEISA-N 0 3 240.778 3.822 20 0 BHADHN CCC(C)(C)CN[C@H](C)c1ccc(Cl)cn1 ZINC000381173584 344104528 /nfs/dbraw/zinc/10/45/28/344104528.db2.gz URBJSZCTOUSRPZ-SNVBAGLBSA-N 0 3 240.778 3.822 20 0 BHADHN CC(C)C(C)(C)NCc1csc(C2CC2)n1 ZINC000381179970 367360641 /nfs/dbraw/zinc/36/06/41/367360641.db2.gz VZYYWTSDVVRBIB-UHFFFAOYSA-N 0 3 238.400 3.545 20 0 BHADHN CCC(C)(C)CN[C@H](C)c1cc(C)c(C)o1 ZINC000381196287 344173403 /nfs/dbraw/zinc/17/34/03/344173403.db2.gz DRRFWFXGUTYGKC-LLVKDONJSA-N 0 3 223.360 3.983 20 0 BHADHN CCC(C)(C)CN[C@@H](C)c1cc(C)c(C)o1 ZINC000381196296 344174168 /nfs/dbraw/zinc/17/41/68/344174168.db2.gz DRRFWFXGUTYGKC-NSHDSACASA-N 0 3 223.360 3.983 20 0 BHADHN Cc1cc(CNC/C=C/c2ccccc2)cs1 ZINC000381196952 367361314 /nfs/dbraw/zinc/36/13/14/367361314.db2.gz VEUVYYDMKSQGIH-VMPITWQZSA-N 0 3 243.375 3.860 20 0 BHADHN Cc1cc(CNC/C=C\c2ccccc2)cs1 ZINC000381196955 367361016 /nfs/dbraw/zinc/36/10/16/367361016.db2.gz VEUVYYDMKSQGIH-YVMONPNESA-N 0 3 243.375 3.860 20 0 BHADHN Cc1cc([C@@H](C)NCCCC(C)C)oc1C ZINC000381198720 367363095 /nfs/dbraw/zinc/36/30/95/367363095.db2.gz AQPAELZCZUFZLT-GFCCVEGCSA-N 0 3 223.360 3.983 20 0 BHADHN Cc1cc([C@H](C)NCCCC(C)C)oc1C ZINC000381198723 367363265 /nfs/dbraw/zinc/36/32/65/367363265.db2.gz AQPAELZCZUFZLT-LBPRGKRZSA-N 0 3 223.360 3.983 20 0 BHADHN CCC(C)(C)NCc1ccc(OC)cc1Cl ZINC000381227196 344219939 /nfs/dbraw/zinc/21/99/39/344219939.db2.gz KCQLBGOHJNKCRB-UHFFFAOYSA-N 0 3 241.762 3.627 20 0 BHADHN Cc1cc(CNCc2ccc(F)c(C)c2)cs1 ZINC000381227789 367368119 /nfs/dbraw/zinc/36/81/19/367368119.db2.gz ACMIMEOKOBBDEI-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN CC(C)[C@H](C)CN[C@H](C)c1ccc(Cl)cn1 ZINC000381230147 344225063 /nfs/dbraw/zinc/22/50/63/344225063.db2.gz KRXVMRRXXSEJAP-GHMZBOCLSA-N 0 3 240.778 3.678 20 0 BHADHN CC(C)[C@H](C)CN[C@@H](C)c1ccc(Cl)cn1 ZINC000381230148 344225013 /nfs/dbraw/zinc/22/50/13/344225013.db2.gz KRXVMRRXXSEJAP-MNOVXSKESA-N 0 3 240.778 3.678 20 0 BHADHN CC(C)[C@@H](C)CN[C@@H](C)c1ccc(Cl)cn1 ZINC000381230149 344225236 /nfs/dbraw/zinc/22/52/36/344225236.db2.gz KRXVMRRXXSEJAP-QWRGUYRKSA-N 0 3 240.778 3.678 20 0 BHADHN CC(C)[C@@H](C)CN[C@H](C)c1ccc(Cl)cn1 ZINC000381230150 344224963 /nfs/dbraw/zinc/22/49/63/344224963.db2.gz KRXVMRRXXSEJAP-WDEREUQCSA-N 0 3 240.778 3.678 20 0 BHADHN Cc1cc([C@H](C)N[C@H](C)CC(C)C)oc1C ZINC000381243775 344258335 /nfs/dbraw/zinc/25/83/35/344258335.db2.gz NULWYSARRAZRFE-NEPJUHHUSA-N 0 3 223.360 3.982 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H](C)CC(C)C)oc1C ZINC000381243785 367371116 /nfs/dbraw/zinc/37/11/16/367371116.db2.gz NULWYSARRAZRFE-NWDGAFQWSA-N 0 3 223.360 3.982 20 0 BHADHN Cc1cc([C@H](C)N[C@@H](C)CC(C)C)oc1C ZINC000381243786 367370894 /nfs/dbraw/zinc/37/08/94/367370894.db2.gz NULWYSARRAZRFE-RYUDHWBXSA-N 0 3 223.360 3.982 20 0 BHADHN Cc1cc([C@@H](C)N[C@H](C)CC(C)C)oc1C ZINC000381243787 367370502 /nfs/dbraw/zinc/37/05/02/367370502.db2.gz NULWYSARRAZRFE-VXGBXAGGSA-N 0 3 223.360 3.982 20 0 BHADHN CC1CC(NCc2ccc(C(F)(F)F)s2)C1 ZINC000381249462 344278045 /nfs/dbraw/zinc/27/80/45/344278045.db2.gz OZRKOWVSUUTZRG-UHFFFAOYSA-N 0 3 249.301 3.655 20 0 BHADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1c(F)cccc1Cl ZINC000381263781 344334848 /nfs/dbraw/zinc/33/48/48/344334848.db2.gz STKJNFLERKYPOM-GUBZILKMSA-N 0 3 241.737 3.786 20 0 BHADHN C[C@H](NC[C@H]1C[C@H]1C)c1c(F)cccc1Cl ZINC000381263783 344338455 /nfs/dbraw/zinc/33/84/55/344338455.db2.gz STKJNFLERKYPOM-KXUCPTDWSA-N 0 3 241.737 3.786 20 0 BHADHN C[C@H](NC[C@H]1C[C@@H]1C)c1c(F)cccc1Cl ZINC000381263784 344339117 /nfs/dbraw/zinc/33/91/17/344339117.db2.gz STKJNFLERKYPOM-LPEHRKFASA-N 0 3 241.737 3.786 20 0 BHADHN C[C@H](NC[C@@H]1C[C@H]1C)c1c(F)cccc1Cl ZINC000381263785 344339136 /nfs/dbraw/zinc/33/91/36/344339136.db2.gz STKJNFLERKYPOM-UTLUCORTSA-N 0 3 241.737 3.786 20 0 BHADHN Cc1cc(CN[C@@H](C)c2cccs2)c(C)o1 ZINC000381265831 710614364 /nfs/dbraw/zinc/61/43/64/710614364.db2.gz UAFOKSWBWANYPY-JTQLQIEISA-N 0 3 235.352 3.809 20 0 BHADHN Cc1cc(CN[C@H](C)c2cccs2)c(C)o1 ZINC000381265837 710614833 /nfs/dbraw/zinc/61/48/33/710614833.db2.gz UAFOKSWBWANYPY-SNVBAGLBSA-N 0 3 235.352 3.809 20 0 BHADHN CCC1(CN[C@H](C)c2nc(C)cs2)CCC1 ZINC000381277274 361288799 /nfs/dbraw/zinc/28/87/99/361288799.db2.gz XFIMRJFHKHWGFM-LLVKDONJSA-N 0 3 238.400 3.682 20 0 BHADHN CCC1(CN[C@@H](C)c2nc(C)cs2)CCC1 ZINC000381277275 361288973 /nfs/dbraw/zinc/28/89/73/361288973.db2.gz XFIMRJFHKHWGFM-NSHDSACASA-N 0 3 238.400 3.682 20 0 BHADHN CC(C)c1cnc(CN[C@@H](C)C2(C)CC2)s1 ZINC000381280416 710616564 /nfs/dbraw/zinc/61/65/64/710616564.db2.gz XZICZSMWYYFMFI-JTQLQIEISA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1cnc(CN[C@H](C)C2(C)CC2)s1 ZINC000381280417 710615512 /nfs/dbraw/zinc/61/55/12/710615512.db2.gz XZICZSMWYYFMFI-SNVBAGLBSA-N 0 3 238.400 3.545 20 0 BHADHN Cc1cccc([C@H](C)NCc2cccnc2C)c1 ZINC000381283901 367375164 /nfs/dbraw/zinc/37/51/64/367375164.db2.gz VRWAMIBSFMSMHR-ZDUSSCGKSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cccnc2C)cc1 ZINC000381292753 344492405 /nfs/dbraw/zinc/49/24/05/344492405.db2.gz XSZZIZKNKGHWFW-CYBMUJFWSA-N 0 3 240.350 3.549 20 0 BHADHN C[C@H](NCCC(C)(C)C)c1ccc(Cl)cn1 ZINC000381293016 367376100 /nfs/dbraw/zinc/37/61/00/367376100.db2.gz FCEICGDBKLBXHI-JTQLQIEISA-N 0 3 240.778 3.822 20 0 BHADHN C[C@@H](NCCC(C)(C)C)c1ccc(Cl)cn1 ZINC000381293020 367376303 /nfs/dbraw/zinc/37/63/03/367376303.db2.gz FCEICGDBKLBXHI-SNVBAGLBSA-N 0 3 240.778 3.822 20 0 BHADHN CC[C@@H](F)CNC(C)(C)c1ccc(Cl)cc1 ZINC000381297743 367377273 /nfs/dbraw/zinc/37/72/73/367377273.db2.gz HERQLEWRURICHU-GFCCVEGCSA-N 0 3 243.753 3.913 20 0 BHADHN CC[C@H](F)CNC(C)(C)c1ccc(Cl)cc1 ZINC000381297744 367376708 /nfs/dbraw/zinc/37/67/08/367376708.db2.gz HERQLEWRURICHU-LBPRGKRZSA-N 0 3 243.753 3.913 20 0 BHADHN CC[C@H](F)CN[C@H](c1ccccc1)C(C)C ZINC000381298169 367377258 /nfs/dbraw/zinc/37/72/58/367377258.db2.gz HGRLBFPLCUBFNT-KBPBESRZSA-N 0 3 223.335 3.721 20 0 BHADHN CC[C@@H](F)CN[C@H](c1ccccc1)C(C)C ZINC000381298171 367376964 /nfs/dbraw/zinc/37/69/64/367376964.db2.gz HGRLBFPLCUBFNT-KGLIPLIRSA-N 0 3 223.335 3.721 20 0 BHADHN CC[C@H](F)CN[C@@H](c1ccccc1)C(C)C ZINC000381298172 367377188 /nfs/dbraw/zinc/37/71/88/367377188.db2.gz HGRLBFPLCUBFNT-UONOGXRCSA-N 0 3 223.335 3.721 20 0 BHADHN CC[C@@H](F)CN[C@@H](c1ccccc1)C(C)C ZINC000381298173 367376611 /nfs/dbraw/zinc/37/66/11/367376611.db2.gz HGRLBFPLCUBFNT-ZIAGYGMSSA-N 0 3 223.335 3.721 20 0 BHADHN CCC(CC)(NCCF)c1ccc(Cl)cc1 ZINC000381298845 367376669 /nfs/dbraw/zinc/37/66/69/367376669.db2.gz HLZJBWWMBBALFQ-UHFFFAOYSA-N 0 3 243.753 3.914 20 0 BHADHN CSCCN[C@H](CCC(C)C)c1ccoc1 ZINC000381312377 344495156 /nfs/dbraw/zinc/49/51/56/344495156.db2.gz AQHJWOZBEFECIC-CYBMUJFWSA-N 0 3 241.400 3.710 20 0 BHADHN CSCCN[C@@H](CCC(C)C)c1ccoc1 ZINC000381312379 344495232 /nfs/dbraw/zinc/49/52/32/344495232.db2.gz AQHJWOZBEFECIC-ZDUSSCGKSA-N 0 3 241.400 3.710 20 0 BHADHN CC[C@@H](NCc1ccncc1Cl)C(C)(C)C ZINC000381313794 367379645 /nfs/dbraw/zinc/37/96/45/367379645.db2.gz MILDWWLHHKOUIN-GFCCVEGCSA-N 0 3 240.778 3.649 20 0 BHADHN CC[C@H](NCc1ccncc1Cl)C(C)(C)C ZINC000381313797 367380058 /nfs/dbraw/zinc/38/00/58/367380058.db2.gz MILDWWLHHKOUIN-LBPRGKRZSA-N 0 3 240.778 3.649 20 0 BHADHN C[C@H](CF)NC1CC(c2cccc(Cl)c2)C1 ZINC000381316993 345301865 /nfs/dbraw/zinc/30/18/65/345301865.db2.gz NLMNQCZWVYEFSW-CBZQXFMTSA-N 0 3 241.737 3.534 20 0 BHADHN C[C@@H](CF)NC1CC(c2cccc(Cl)c2)C1 ZINC000381316994 345301849 /nfs/dbraw/zinc/30/18/49/345301849.db2.gz NLMNQCZWVYEFSW-FJJSSXBZSA-N 0 3 241.737 3.534 20 0 BHADHN C[C@@H](F)CCN[C@@H](C)c1c(F)cccc1Cl ZINC000381320338 367381611 /nfs/dbraw/zinc/38/16/11/367381611.db2.gz OMKGAWRJPAPEPU-BDAKNGLRSA-N 0 3 247.716 3.878 20 0 BHADHN C[C@@H](NCC[C@H](C)F)c1c(F)cccc1Cl ZINC000381320339 367380837 /nfs/dbraw/zinc/38/08/37/367380837.db2.gz OMKGAWRJPAPEPU-DTWKUNHWSA-N 0 3 247.716 3.878 20 0 BHADHN C[C@H](F)CCN[C@@H](C)c1c(F)cccc1Cl ZINC000381320340 367381065 /nfs/dbraw/zinc/38/10/65/367381065.db2.gz OMKGAWRJPAPEPU-IUCAKERBSA-N 0 3 247.716 3.878 20 0 BHADHN C[C@@H](F)CCN[C@H](C)c1c(F)cccc1Cl ZINC000381320341 345309899 /nfs/dbraw/zinc/30/98/99/345309899.db2.gz OMKGAWRJPAPEPU-RKDXNWHRSA-N 0 3 247.716 3.878 20 0 BHADHN CCCC[C@H](CC)CN[C@H](C)c1ccon1 ZINC000381320874 345311388 /nfs/dbraw/zinc/31/13/88/345311388.db2.gz ORVKTEVFGPUBJY-NEPJUHHUSA-N 0 3 224.348 3.542 20 0 BHADHN CCCC[C@@H](CC)CN[C@@H](C)c1ccon1 ZINC000381320875 345311245 /nfs/dbraw/zinc/31/12/45/345311245.db2.gz ORVKTEVFGPUBJY-NWDGAFQWSA-N 0 3 224.348 3.542 20 0 BHADHN CCCC[C@H](CC)CN[C@@H](C)c1ccon1 ZINC000381320876 345311107 /nfs/dbraw/zinc/31/11/07/345311107.db2.gz ORVKTEVFGPUBJY-RYUDHWBXSA-N 0 3 224.348 3.542 20 0 BHADHN CCCC[C@@H](CC)CN[C@H](C)c1ccon1 ZINC000381320877 345311311 /nfs/dbraw/zinc/31/13/11/345311311.db2.gz ORVKTEVFGPUBJY-VXGBXAGGSA-N 0 3 224.348 3.542 20 0 BHADHN CC(C)=CCCN[C@@H](C)c1nc(C)sc1C ZINC000381324234 538998463 /nfs/dbraw/zinc/99/84/63/538998463.db2.gz QCRWLEQXFRRINE-JTQLQIEISA-N 0 3 238.400 3.767 20 0 BHADHN CC(C)=CCCN[C@H](C)c1nc(C)sc1C ZINC000381324236 538467408 /nfs/dbraw/zinc/46/74/08/538467408.db2.gz QCRWLEQXFRRINE-SNVBAGLBSA-N 0 3 238.400 3.767 20 0 BHADHN CCCCCNC(C)(C)c1nc(C)c(C)s1 ZINC000381336216 367383357 /nfs/dbraw/zinc/38/33/57/367383357.db2.gz VTBZZPIHYYBUAV-UHFFFAOYSA-N 0 3 240.416 3.775 20 0 BHADHN Cc1cc(CNCc2ccc(C)cc2C)cs1 ZINC000381337066 345386352 /nfs/dbraw/zinc/38/63/52/345386352.db2.gz ASNICTVVRDRZTH-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1occc1C ZINC000381337495 345387150 /nfs/dbraw/zinc/38/71/50/345387150.db2.gz WGPWOWYITZZSQR-CYBMUJFWSA-N 0 3 221.344 3.813 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1occc1C ZINC000381337496 345387188 /nfs/dbraw/zinc/38/71/88/345387188.db2.gz WGPWOWYITZZSQR-ZDUSSCGKSA-N 0 3 221.344 3.813 20 0 BHADHN CC[C@@H](F)CNC(C)(C)c1cccc(Cl)c1 ZINC000381340881 367384124 /nfs/dbraw/zinc/38/41/24/367384124.db2.gz XOWDXVKWSOMBOB-GFCCVEGCSA-N 0 3 243.753 3.913 20 0 BHADHN CC[C@H](F)CNC(C)(C)c1cccc(Cl)c1 ZINC000381340883 367384400 /nfs/dbraw/zinc/38/44/00/367384400.db2.gz XOWDXVKWSOMBOB-LBPRGKRZSA-N 0 3 243.753 3.913 20 0 BHADHN Cc1nc([C@@H](C)N[C@H](C)C2(C)CC2)c(C)s1 ZINC000381343959 710625468 /nfs/dbraw/zinc/62/54/68/710625468.db2.gz YHVWYNUJUXUUCO-PSASIEDQSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H](C)C2(C)CC2)c(C)s1 ZINC000381343961 710625632 /nfs/dbraw/zinc/62/56/32/710625632.db2.gz YHVWYNUJUXUUCO-SCZZXKLOSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@H](C)N[C@H](C)C2(C)CC2)c(C)s1 ZINC000381343962 710624811 /nfs/dbraw/zinc/62/48/11/710624811.db2.gz YHVWYNUJUXUUCO-WCBMZHEXSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@H](C)N[C@@H](C)C2(C)CC2)c(C)s1 ZINC000381343963 710625510 /nfs/dbraw/zinc/62/55/10/710625510.db2.gz YHVWYNUJUXUUCO-WPRPVWTQSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1cccc([C@@H](NCCF)C(C)(C)C)c1 ZINC000381349329 345436882 /nfs/dbraw/zinc/43/68/82/345436882.db2.gz BHIDACRKMLHDLM-CYBMUJFWSA-N 0 3 223.335 3.641 20 0 BHADHN Cc1cccc([C@H](NCCF)C(C)(C)C)c1 ZINC000381349333 345436582 /nfs/dbraw/zinc/43/65/82/345436582.db2.gz BHIDACRKMLHDLM-ZDUSSCGKSA-N 0 3 223.335 3.641 20 0 BHADHN Cc1ccoc1CN[C@H]1CC[C@H]1C(C)(C)C ZINC000381351162 367385771 /nfs/dbraw/zinc/38/57/71/367385771.db2.gz BUSGDWYQRDQJJH-NEPJUHHUSA-N 0 3 221.344 3.502 20 0 BHADHN C[C@@H](NC1CSC1)c1cc2ccccc2s1 ZINC000381351440 538998497 /nfs/dbraw/zinc/99/84/97/538998497.db2.gz BAJAIGXANGIIRT-SECBINFHSA-N 0 3 249.404 3.667 20 0 BHADHN C[C@H](NC1CSC1)c1cc2ccccc2s1 ZINC000381351441 538998798 /nfs/dbraw/zinc/99/87/98/538998798.db2.gz BAJAIGXANGIIRT-VIFPVBQESA-N 0 3 249.404 3.667 20 0 BHADHN Cc1ccoc1CN[C@@H]1CC[C@@H]1C(C)(C)C ZINC000381351527 345444464 /nfs/dbraw/zinc/44/44/64/345444464.db2.gz BUSGDWYQRDQJJH-NWDGAFQWSA-N 0 3 221.344 3.502 20 0 BHADHN Cc1ccoc1CN[C@H]1CC[C@@H]1C(C)(C)C ZINC000381351534 345444420 /nfs/dbraw/zinc/44/44/20/345444420.db2.gz BUSGDWYQRDQJJH-RYUDHWBXSA-N 0 3 221.344 3.502 20 0 BHADHN Cc1ccoc1CN[C@@H]1CC[C@H]1C(C)(C)C ZINC000381351535 345444572 /nfs/dbraw/zinc/44/45/72/345444572.db2.gz BUSGDWYQRDQJJH-VXGBXAGGSA-N 0 3 221.344 3.502 20 0 BHADHN Cc1cc(CNCc2ccc(C)c(F)c2)cs1 ZINC000381358914 367387959 /nfs/dbraw/zinc/38/79/59/367387959.db2.gz GSRHPAZQNIZISU-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN CS[C@H](CN[C@@H](C)c1ccco1)C(C)(C)C ZINC000381363403 345537847 /nfs/dbraw/zinc/53/78/47/345537847.db2.gz GCKSUPJKAXCBHP-CMPLNLGQSA-N 0 3 241.400 3.708 20 0 BHADHN CS[C@@H](CN[C@@H](C)c1ccco1)C(C)(C)C ZINC000381363412 345531660 /nfs/dbraw/zinc/53/16/60/345531660.db2.gz GCKSUPJKAXCBHP-JQWIXIFHSA-N 0 3 241.400 3.708 20 0 BHADHN CS[C@@H](CN[C@H](C)c1ccco1)C(C)(C)C ZINC000381363417 345531715 /nfs/dbraw/zinc/53/17/15/345531715.db2.gz GCKSUPJKAXCBHP-PWSUYJOCSA-N 0 3 241.400 3.708 20 0 BHADHN CS[C@H](CN[C@H](C)c1ccco1)C(C)(C)C ZINC000381363419 345531426 /nfs/dbraw/zinc/53/14/26/345531426.db2.gz GCKSUPJKAXCBHP-ZYHUDNBSSA-N 0 3 241.400 3.708 20 0 BHADHN Cc1cc([C@@H](C)NCc2cnccc2C)cs1 ZINC000381384094 367391626 /nfs/dbraw/zinc/39/16/26/367391626.db2.gz PZCVUEBFRPAUIR-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc([C@H](C)NCc2cnccc2C)cs1 ZINC000381384095 345776488 /nfs/dbraw/zinc/77/64/88/345776488.db2.gz PZCVUEBFRPAUIR-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC(C)(C)C(C)(C)NCc1ccncc1Cl ZINC000381385259 367391706 /nfs/dbraw/zinc/39/17/06/367391706.db2.gz LTJPBUDUJLOUDX-UHFFFAOYSA-N 0 3 240.778 3.649 20 0 BHADHN CCc1ccc([C@H](C)NC[C@@H](F)CC)cc1 ZINC000381386392 345786633 /nfs/dbraw/zinc/78/66/33/345786633.db2.gz MWHBWZVOOUVRKD-FZMZJTMJSA-N 0 3 223.335 3.648 20 0 BHADHN CCc1ccc([C@H](C)NC[C@H](F)CC)cc1 ZINC000381386404 345787809 /nfs/dbraw/zinc/78/78/09/345787809.db2.gz MWHBWZVOOUVRKD-SMDDNHRTSA-N 0 3 223.335 3.648 20 0 BHADHN CCCc1csc(CNCC(CC)CC)n1 ZINC000381390259 538999792 /nfs/dbraw/zinc/99/97/92/538999792.db2.gz NXPUTJBMDHXYFH-UHFFFAOYSA-N 0 3 240.416 3.621 20 0 BHADHN Cc1ccc(CN[C@@H]2C=CCCC2)cc1Cl ZINC000381394252 345795885 /nfs/dbraw/zinc/79/58/85/345795885.db2.gz PBAAGMSXRNDNJG-CYBMUJFWSA-N 0 3 235.758 3.847 20 0 BHADHN Cc1ccc(CN[C@H]2C=CCCC2)cc1Cl ZINC000381394259 367393927 /nfs/dbraw/zinc/39/39/27/367393927.db2.gz PBAAGMSXRNDNJG-ZDUSSCGKSA-N 0 3 235.758 3.847 20 0 BHADHN CCC[C@@H](C)NCc1cc(F)c(Cl)cc1F ZINC000381403322 367395272 /nfs/dbraw/zinc/39/52/72/367395272.db2.gz RRISDWFNGKPILU-MRVPVSSYSA-N 0 3 247.716 3.896 20 0 BHADHN CCC[C@H](C)NCc1cc(F)c(Cl)cc1F ZINC000381403324 367395283 /nfs/dbraw/zinc/39/52/83/367395283.db2.gz RRISDWFNGKPILU-QMMMGPOBSA-N 0 3 247.716 3.896 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC1(F)F ZINC000381403844 538999602 /nfs/dbraw/zinc/99/96/02/538999602.db2.gz RVGBYRJJCMIPHK-GRYCIOLGSA-N 0 3 231.330 3.733 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCC1(F)F ZINC000381403846 539000400 /nfs/dbraw/zinc/00/04/00/539000400.db2.gz RVGBYRJJCMIPHK-IJLUTSLNSA-N 0 3 231.330 3.733 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N[C@H]1CCCC1(F)F ZINC000381403848 539000441 /nfs/dbraw/zinc/00/04/41/539000441.db2.gz RVGBYRJJCMIPHK-UTUOFQBUSA-N 0 3 231.330 3.733 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC1(F)F ZINC000381403850 539000419 /nfs/dbraw/zinc/00/04/19/539000419.db2.gz RVGBYRJJCMIPHK-WOPDTQHZSA-N 0 3 231.330 3.733 20 0 BHADHN C[C@]12C[C@H]1CCC[C@@H]2NCc1ccc(Cl)o1 ZINC000381404513 487507021 /nfs/dbraw/zinc/50/70/21/487507021.db2.gz QZBORFXVUVVGTK-CDMKHQONSA-N 0 3 239.746 3.601 20 0 BHADHN C[C@]12C[C@H]1CCC[C@H]2NCc1ccc(Cl)o1 ZINC000381404516 487506502 /nfs/dbraw/zinc/50/65/02/487506502.db2.gz QZBORFXVUVVGTK-XWIASGKRSA-N 0 3 239.746 3.601 20 0 BHADHN CCC[C@H](C)NCc1c(F)cccc1SC ZINC000381405040 367395175 /nfs/dbraw/zinc/39/51/75/367395175.db2.gz SFDSBZIRGWIATK-JTQLQIEISA-N 0 3 241.375 3.826 20 0 BHADHN CCC[C@@H](C)NCc1c(F)cccc1SC ZINC000381405042 367394816 /nfs/dbraw/zinc/39/48/16/367394816.db2.gz SFDSBZIRGWIATK-SNVBAGLBSA-N 0 3 241.375 3.826 20 0 BHADHN Cc1cc([C@@H](C)NCCSC(C)C)cs1 ZINC000381405247 367395189 /nfs/dbraw/zinc/39/51/89/367395189.db2.gz WJUAXLXWOFLKHU-LLVKDONJSA-N 0 3 243.441 3.849 20 0 BHADHN Cc1cc([C@H](C)NCCSC(C)C)cs1 ZINC000381405248 367394721 /nfs/dbraw/zinc/39/47/21/367394721.db2.gz WJUAXLXWOFLKHU-NSHDSACASA-N 0 3 243.441 3.849 20 0 BHADHN CCC1CC(NCc2ccc(Cl)cc2F)C1 ZINC000381409298 345809364 /nfs/dbraw/zinc/80/93/64/345809364.db2.gz UADPWSWQOSGYSR-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN Cc1cc([C@@H](C)NCCC(F)(F)F)cs1 ZINC000381413259 367397720 /nfs/dbraw/zinc/39/77/20/367397720.db2.gz YLSQYIFXVIKFFP-MRVPVSSYSA-N 0 3 237.290 3.660 20 0 BHADHN Cc1cc([C@H](C)NCCC(F)(F)F)cs1 ZINC000381413261 367397620 /nfs/dbraw/zinc/39/76/20/367397620.db2.gz YLSQYIFXVIKFFP-QMMMGPOBSA-N 0 3 237.290 3.660 20 0 BHADHN CC[C@@H]1CC[C@H]1NCc1c(F)cccc1Cl ZINC000381422277 345846266 /nfs/dbraw/zinc/84/62/66/345846266.db2.gz XOWXLVLDKJWWTP-NOZJJQNGSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@@H]1CC[C@@H]1NCc1c(F)cccc1Cl ZINC000381422278 345846580 /nfs/dbraw/zinc/84/65/80/345846580.db2.gz XOWXLVLDKJWWTP-RNCFNFMXSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@H]1CC[C@H]1NCc1c(F)cccc1Cl ZINC000381422279 345846281 /nfs/dbraw/zinc/84/62/81/345846281.db2.gz XOWXLVLDKJWWTP-TVQRCGJNSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@H]1CC[C@@H]1NCc1c(F)cccc1Cl ZINC000381422280 345846356 /nfs/dbraw/zinc/84/63/56/345846356.db2.gz XOWXLVLDKJWWTP-ZANVPECISA-N 0 3 241.737 3.757 20 0 BHADHN Cc1cc(CNCc2cc(C)cc(C)c2)cs1 ZINC000381442749 398257836 /nfs/dbraw/zinc/25/78/36/398257836.db2.gz YTMZOWHWMMIYEX-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN CCCc1csc(CNC(C)(CC)CC)n1 ZINC000381445908 357173841 /nfs/dbraw/zinc/17/38/41/357173841.db2.gz FUDSYYDFEWTOGP-UHFFFAOYSA-N 0 3 240.416 3.764 20 0 BHADHN C/C=C/CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000381458316 398253573 /nfs/dbraw/zinc/25/35/73/398253573.db2.gz JAHXRETVHVBTBH-BAABZTOOSA-N 0 3 235.758 3.957 20 0 BHADHN C/C=C/CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000381458320 398258105 /nfs/dbraw/zinc/25/81/05/398258105.db2.gz JAHXRETVHVBTBH-HSWBROFVSA-N 0 3 235.758 3.957 20 0 BHADHN C/C=C\CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000381458322 398258159 /nfs/dbraw/zinc/25/81/59/398258159.db2.gz JAHXRETVHVBTBH-PYLYLYNFSA-N 0 3 235.758 3.957 20 0 BHADHN C/C=C\CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000381458326 398258291 /nfs/dbraw/zinc/25/82/91/398258291.db2.gz JAHXRETVHVBTBH-SFAKSCPVSA-N 0 3 235.758 3.957 20 0 BHADHN CC(C)[C@H](NC/C=C\Cl)c1ccc(F)cc1 ZINC000381462959 710640222 /nfs/dbraw/zinc/64/02/22/710640222.db2.gz KFRYVTAWHDWKBS-SYAFZNNESA-N 0 3 241.737 3.865 20 0 BHADHN CC(C)[C@@H](NC/C=C\Cl)c1ccc(F)cc1 ZINC000381462961 710640351 /nfs/dbraw/zinc/64/03/51/710640351.db2.gz KFRYVTAWHDWKBS-UJYKQDJBSA-N 0 3 241.737 3.865 20 0 BHADHN CC(C)[C@H](NC/C=C/Cl)c1ccc(F)cc1 ZINC000381462962 710640305 /nfs/dbraw/zinc/64/03/05/710640305.db2.gz KFRYVTAWHDWKBS-UTPRNQHHSA-N 0 3 241.737 3.865 20 0 BHADHN CC(C)[C@@H](NC/C=C/Cl)c1ccc(F)cc1 ZINC000381462963 710639617 /nfs/dbraw/zinc/63/96/17/710639617.db2.gz KFRYVTAWHDWKBS-ZHAHRWAOSA-N 0 3 241.737 3.865 20 0 BHADHN Cc1cnc(CN[C@@H]2CCCCC[C@@H]2C)s1 ZINC000381467007 539001095 /nfs/dbraw/zinc/00/10/95/539001095.db2.gz LJJPTDJGXNTZAJ-CMPLNLGQSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cnc(CN[C@H]2CCCCC[C@@H]2C)s1 ZINC000381467009 539001021 /nfs/dbraw/zinc/00/10/21/539001021.db2.gz LJJPTDJGXNTZAJ-JQWIXIFHSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cnc(CN[C@H]2CCCCC[C@H]2C)s1 ZINC000381467010 539001290 /nfs/dbraw/zinc/00/12/90/539001290.db2.gz LJJPTDJGXNTZAJ-PWSUYJOCSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1cnc(CN[C@@H]2CCCCC[C@H]2C)s1 ZINC000381467011 539001063 /nfs/dbraw/zinc/00/10/63/539001063.db2.gz LJJPTDJGXNTZAJ-ZYHUDNBSSA-N 0 3 238.400 3.510 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccoc2C)s1 ZINC000381467895 539001337 /nfs/dbraw/zinc/00/13/37/539001337.db2.gz LRQGLZICHBSXFH-JTQLQIEISA-N 0 3 235.352 3.809 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccoc2C)s1 ZINC000381467901 539001364 /nfs/dbraw/zinc/00/13/64/539001364.db2.gz LRQGLZICHBSXFH-SNVBAGLBSA-N 0 3 235.352 3.809 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@H]1CSC1(C)C ZINC000381470921 345999071 /nfs/dbraw/zinc/99/90/71/345999071.db2.gz OLMZJUNDURDGQY-AAEUAGOBSA-N 0 3 235.396 3.540 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@@H]1CSC1(C)C ZINC000381470922 345998929 /nfs/dbraw/zinc/99/89/29/345998929.db2.gz OLMZJUNDURDGQY-DGCLKSJQSA-N 0 3 235.396 3.540 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@@H]1CSC1(C)C ZINC000381470923 345998867 /nfs/dbraw/zinc/99/88/67/345998867.db2.gz OLMZJUNDURDGQY-WCQYABFASA-N 0 3 235.396 3.540 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@H]1CSC1(C)C ZINC000381470924 345999110 /nfs/dbraw/zinc/99/91/10/345999110.db2.gz OLMZJUNDURDGQY-YPMHNXCESA-N 0 3 235.396 3.540 20 0 BHADHN Cc1csc([C@H](C)N[C@@H]2CC[C@@H]2C(C)C)n1 ZINC000381471392 539001689 /nfs/dbraw/zinc/00/16/89/539001689.db2.gz MTORGLUWHSSXDY-QJPTWQEYSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@@H]2CC[C@H]2C(C)C)n1 ZINC000381471393 539001616 /nfs/dbraw/zinc/00/16/16/539001616.db2.gz MTORGLUWHSSXDY-SDDRHHMPSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@H]2CC[C@H]2C(C)C)n1 ZINC000381471394 539001887 /nfs/dbraw/zinc/00/18/87/539001887.db2.gz MTORGLUWHSSXDY-SRVKXCTJSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@H]2CC[C@@H]2C(C)C)n1 ZINC000381471395 539001618 /nfs/dbraw/zinc/00/16/18/539001618.db2.gz MTORGLUWHSSXDY-TUAOUCFPSA-N 0 3 238.400 3.537 20 0 BHADHN CCCc1csc(CN[C@H](C)C(C)(C)C)n1 ZINC000381473555 367415425 /nfs/dbraw/zinc/41/54/25/367415425.db2.gz POKMCMIKGADZPU-SNVBAGLBSA-N 0 3 240.416 3.620 20 0 BHADHN FC(F)C1(NC[C@@H]2CC=CCC2)CCCC1 ZINC000381479248 539001537 /nfs/dbraw/zinc/00/15/37/539001537.db2.gz BZEFFECMOGXOCD-LLVKDONJSA-N 0 3 229.314 3.510 20 0 BHADHN FC(F)C1(NC[C@H]2CC=CCC2)CCCC1 ZINC000381479249 539001643 /nfs/dbraw/zinc/00/16/43/539001643.db2.gz BZEFFECMOGXOCD-NSHDSACASA-N 0 3 229.314 3.510 20 0 BHADHN CCc1ccc(C(C)(C)NC/C=C/Cl)cc1 ZINC000381479459 710643932 /nfs/dbraw/zinc/64/39/32/710643932.db2.gz SCJQWYZTNUTLLC-BJMVGYQFSA-N 0 3 237.774 3.826 20 0 BHADHN CCc1ccc(C(C)(C)NC/C=C\Cl)cc1 ZINC000381479469 710644145 /nfs/dbraw/zinc/64/41/45/710644145.db2.gz SCJQWYZTNUTLLC-YHYXMXQVSA-N 0 3 237.774 3.826 20 0 BHADHN C[C@H](NC1CC(C)(C)C1)c1ccccc1F ZINC000381481746 367416750 /nfs/dbraw/zinc/41/67/50/367416750.db2.gz SXXMGIVWVYKFTO-JTQLQIEISA-N 0 3 221.319 3.665 20 0 BHADHN C[C@@H](NC1CC(C)(C)C1)c1ccccc1F ZINC000381481759 367416712 /nfs/dbraw/zinc/41/67/12/367416712.db2.gz SXXMGIVWVYKFTO-SNVBAGLBSA-N 0 3 221.319 3.665 20 0 BHADHN CCCc1csc(CNC(C)(C)C(C)C)n1 ZINC000381487858 367417482 /nfs/dbraw/zinc/41/74/82/367417482.db2.gz WBFANTYUMYAQHR-UHFFFAOYSA-N 0 3 240.416 3.620 20 0 BHADHN CCC[C@@H](CN[C@@H](C)c1csc(C)c1)OC ZINC000381491947 346068420 /nfs/dbraw/zinc/06/84/20/346068420.db2.gz QRLCKQMQFWMIKB-AAEUAGOBSA-N 0 3 241.400 3.522 20 0 BHADHN CCC[C@H](CN[C@H](C)c1csc(C)c1)OC ZINC000381491948 346068192 /nfs/dbraw/zinc/06/81/92/346068192.db2.gz QRLCKQMQFWMIKB-DGCLKSJQSA-N 0 3 241.400 3.522 20 0 BHADHN CCC[C@H](CN[C@@H](C)c1csc(C)c1)OC ZINC000381491949 346068321 /nfs/dbraw/zinc/06/83/21/346068321.db2.gz QRLCKQMQFWMIKB-WCQYABFASA-N 0 3 241.400 3.522 20 0 BHADHN CCC[C@@H](CN[C@H](C)c1csc(C)c1)OC ZINC000381491950 346068136 /nfs/dbraw/zinc/06/81/36/346068136.db2.gz QRLCKQMQFWMIKB-YPMHNXCESA-N 0 3 241.400 3.522 20 0 BHADHN CC1(C)CC(NCc2cccc(Cl)c2F)C1 ZINC000381494521 538467923 /nfs/dbraw/zinc/46/79/23/538467923.db2.gz ZTRVPPMWGDHKAT-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN CCC1(CNCc2cscn2)CCCCC1 ZINC000381499816 346164663 /nfs/dbraw/zinc/16/46/63/346164663.db2.gz CZADQTOKZPIXLG-UHFFFAOYSA-N 0 3 238.400 3.593 20 0 BHADHN Fc1ccc(Cl)cc1CNC1(C2CC2)CC1 ZINC000381501135 367420507 /nfs/dbraw/zinc/42/05/07/367420507.db2.gz PACRRTNIZGWMOK-UHFFFAOYSA-N 0 3 239.721 3.511 20 0 BHADHN CC[C@@H](F)CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000381508986 357384980 /nfs/dbraw/zinc/38/49/80/357384980.db2.gz NFNGXXXRLRGWGC-CMPLNLGQSA-N 0 3 227.298 3.533 20 0 BHADHN CC[C@H](F)CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000381508994 346210622 /nfs/dbraw/zinc/21/06/22/346210622.db2.gz NFNGXXXRLRGWGC-JQWIXIFHSA-N 0 3 227.298 3.533 20 0 BHADHN CC[C@H](F)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000381508995 346210659 /nfs/dbraw/zinc/21/06/59/346210659.db2.gz NFNGXXXRLRGWGC-PWSUYJOCSA-N 0 3 227.298 3.533 20 0 BHADHN CC[C@@H](F)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000381508997 346210407 /nfs/dbraw/zinc/21/04/07/346210407.db2.gz NFNGXXXRLRGWGC-ZYHUDNBSSA-N 0 3 227.298 3.533 20 0 BHADHN CC[C@H]1CC[C@H](NCc2ccc(Cl)o2)CC1 ZINC000381509464 346211581 /nfs/dbraw/zinc/21/15/81/346211581.db2.gz NSVXCZXFUQSCIO-XYPYZODXSA-N 0 3 241.762 3.991 20 0 BHADHN CC(C)C[C@@H](C)C[C@@H](C)NCc1ccco1 ZINC000381513907 346224941 /nfs/dbraw/zinc/22/49/41/346224941.db2.gz RVUCOUSFFFQRBS-CHWSQXEVSA-N 0 3 223.360 3.830 20 0 BHADHN CC(C)C[C@@H](C)C[C@H](C)NCc1ccco1 ZINC000381513908 346224957 /nfs/dbraw/zinc/22/49/57/346224957.db2.gz RVUCOUSFFFQRBS-OLZOCXBDSA-N 0 3 223.360 3.830 20 0 BHADHN CC(C)C[C@H](C)C[C@@H](C)NCc1ccco1 ZINC000381513909 346225416 /nfs/dbraw/zinc/22/54/16/346225416.db2.gz RVUCOUSFFFQRBS-QWHCGFSZSA-N 0 3 223.360 3.830 20 0 BHADHN CC(C)C[C@H](C)C[C@H](C)NCc1ccco1 ZINC000381513910 346225599 /nfs/dbraw/zinc/22/55/99/346225599.db2.gz RVUCOUSFFFQRBS-STQMWFEESA-N 0 3 223.360 3.830 20 0 BHADHN CC(C)(C)CNCc1cc(F)c(Cl)cc1F ZINC000381520438 367424251 /nfs/dbraw/zinc/42/42/51/367424251.db2.gz UMLMNKDQCJXGAZ-UHFFFAOYSA-N 0 3 247.716 3.754 20 0 BHADHN CC(C)=CCNC/C(C)=C\c1ccccc1 ZINC000381525780 346251357 /nfs/dbraw/zinc/25/13/57/346251357.db2.gz WOQNJUZFJILPAB-KAMYIIQDSA-N 0 3 215.340 3.646 20 0 BHADHN CC1(NCc2cscc2C(F)(F)F)CCC1 ZINC000381526088 346250461 /nfs/dbraw/zinc/25/04/61/346250461.db2.gz WSOQOHPWWLTBSM-UHFFFAOYSA-N 0 3 249.301 3.799 20 0 BHADHN CC[C@@H](F)CN[C@@H](C)c1ccc(F)c(C)c1 ZINC000381543068 346314241 /nfs/dbraw/zinc/31/42/41/346314241.db2.gz IWOTWIKNUXSPQZ-CMPLNLGQSA-N 0 3 227.298 3.533 20 0 BHADHN CC[C@H](F)CN[C@@H](C)c1ccc(F)c(C)c1 ZINC000381543069 346314353 /nfs/dbraw/zinc/31/43/53/346314353.db2.gz IWOTWIKNUXSPQZ-JQWIXIFHSA-N 0 3 227.298 3.533 20 0 BHADHN CC[C@H](F)CN[C@H](C)c1ccc(F)c(C)c1 ZINC000381543070 346314220 /nfs/dbraw/zinc/31/42/20/346314220.db2.gz IWOTWIKNUXSPQZ-PWSUYJOCSA-N 0 3 227.298 3.533 20 0 BHADHN CC[C@@H](F)CN[C@H](C)c1ccc(F)c(C)c1 ZINC000381543071 346314464 /nfs/dbraw/zinc/31/44/64/346314464.db2.gz IWOTWIKNUXSPQZ-ZYHUDNBSSA-N 0 3 227.298 3.533 20 0 BHADHN FC1(F)CC[C@H](NCc2ccccc2Cl)C1 ZINC000381543735 539003710 /nfs/dbraw/zinc/00/37/10/539003710.db2.gz JSNGFGJAPQLLPB-JTQLQIEISA-N 0 3 245.700 3.617 20 0 BHADHN FC1(F)CC[C@@H](NCc2ccccc2Cl)C1 ZINC000381543736 582902131 /nfs/dbraw/zinc/90/21/31/582902131.db2.gz JSNGFGJAPQLLPB-SNVBAGLBSA-N 0 3 245.700 3.617 20 0 BHADHN CCC(CC)N[C@@H]1COc2cccc(Cl)c21 ZINC000381561942 367430947 /nfs/dbraw/zinc/43/09/47/367430947.db2.gz RPRNPKGDFJAXRD-LLVKDONJSA-N 0 3 239.746 3.552 20 0 BHADHN CCC(CC)N[C@H]1COc2cccc(Cl)c21 ZINC000381561945 367430721 /nfs/dbraw/zinc/43/07/21/367430721.db2.gz RPRNPKGDFJAXRD-NSHDSACASA-N 0 3 239.746 3.552 20 0 BHADHN CCc1ccc(CNC(C)(C)C(C)(C)C)o1 ZINC000381570243 346371606 /nfs/dbraw/zinc/37/16/06/346371606.db2.gz VOKJBWWYVTWMED-UHFFFAOYSA-N 0 3 223.360 3.756 20 0 BHADHN CC[C@H](F)CN[C@H](C)c1ccc(SC)cc1 ZINC000381571711 367430523 /nfs/dbraw/zinc/43/05/23/367430523.db2.gz XMTJJBXLSJIRPN-PWSUYJOCSA-N 0 3 241.375 3.807 20 0 BHADHN CC[C@@H](F)CN[C@H](C)c1ccc(SC)cc1 ZINC000381571712 367431389 /nfs/dbraw/zinc/43/13/89/367431389.db2.gz XMTJJBXLSJIRPN-ZYHUDNBSSA-N 0 3 241.375 3.807 20 0 BHADHN CC[C@@H]1CC[C@H]1NCc1ccc(Cl)cc1F ZINC000381573647 346375230 /nfs/dbraw/zinc/37/52/30/346375230.db2.gz YSIIAOJQXKGYMP-NOZJJQNGSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@@H]1CC[C@@H]1NCc1ccc(Cl)cc1F ZINC000381573648 346375204 /nfs/dbraw/zinc/37/52/04/346375204.db2.gz YSIIAOJQXKGYMP-RNCFNFMXSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@H]1CC[C@H]1NCc1ccc(Cl)cc1F ZINC000381573650 346375181 /nfs/dbraw/zinc/37/51/81/346375181.db2.gz YSIIAOJQXKGYMP-TVQRCGJNSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@H]1CC[C@@H]1NCc1ccc(Cl)cc1F ZINC000381573652 346375315 /nfs/dbraw/zinc/37/53/15/346375315.db2.gz YSIIAOJQXKGYMP-ZANVPECISA-N 0 3 241.737 3.757 20 0 BHADHN C[C@@H](CC1CCCCC1)NCc1ccco1 ZINC000381574152 346376862 /nfs/dbraw/zinc/37/68/62/346376862.db2.gz ZADYGUJCFDMKPD-LBPRGKRZSA-N 0 3 221.344 3.728 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC(F)(F)C2)cs1 ZINC000381586019 398265436 /nfs/dbraw/zinc/26/54/36/398265436.db2.gz KNSUVIWOOCOCNW-GXSJLCMTSA-N 0 3 245.338 3.895 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CCC(F)(F)C2)cs1 ZINC000381586027 398265136 /nfs/dbraw/zinc/26/51/36/398265136.db2.gz KNSUVIWOOCOCNW-KOLCDFICSA-N 0 3 245.338 3.895 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CCC(F)(F)C2)cs1 ZINC000381586028 398265109 /nfs/dbraw/zinc/26/51/09/398265109.db2.gz KNSUVIWOOCOCNW-MWLCHTKSSA-N 0 3 245.338 3.895 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCC(F)(F)C2)cs1 ZINC000381586029 398265195 /nfs/dbraw/zinc/26/51/95/398265195.db2.gz KNSUVIWOOCOCNW-ONGXEEELSA-N 0 3 245.338 3.895 20 0 BHADHN CCCC[C@@H](C)[C@@H](C)NCc1csc(C)n1 ZINC000381601684 539004807 /nfs/dbraw/zinc/00/48/07/539004807.db2.gz OBBZKWBQPBCTCQ-GHMZBOCLSA-N 0 3 240.416 3.756 20 0 BHADHN CCCC[C@@H](C)[C@H](C)NCc1csc(C)n1 ZINC000381601686 539004563 /nfs/dbraw/zinc/00/45/63/539004563.db2.gz OBBZKWBQPBCTCQ-MNOVXSKESA-N 0 3 240.416 3.756 20 0 BHADHN CCCC[C@H](C)[C@H](C)NCc1csc(C)n1 ZINC000381601690 539004824 /nfs/dbraw/zinc/00/48/24/539004824.db2.gz OBBZKWBQPBCTCQ-QWRGUYRKSA-N 0 3 240.416 3.756 20 0 BHADHN CCCC[C@H](C)[C@@H](C)NCc1csc(C)n1 ZINC000381601692 538111392 /nfs/dbraw/zinc/11/13/92/538111392.db2.gz OBBZKWBQPBCTCQ-WDEREUQCSA-N 0 3 240.416 3.756 20 0 BHADHN CC(C)=CCNCc1cscc1C(F)(F)F ZINC000381602090 357710358 /nfs/dbraw/zinc/71/03/58/357710358.db2.gz NJRDAMYYCYWWNG-UHFFFAOYSA-N 0 3 249.301 3.823 20 0 BHADHN C/C=C\CN[C@@H](CC)c1ccc(F)cc1F ZINC000381607069 539004898 /nfs/dbraw/zinc/00/48/98/539004898.db2.gz QQORDXFCAZTRNA-DXTPNHAXSA-N 0 3 225.282 3.582 20 0 BHADHN C/C=C\CN[C@H](CC)c1ccc(F)cc1F ZINC000381607070 539004598 /nfs/dbraw/zinc/00/45/98/539004598.db2.gz QQORDXFCAZTRNA-HSBHDXMMSA-N 0 3 225.282 3.582 20 0 BHADHN C/C=C/CN[C@@H](CC)c1ccc(F)cc1F ZINC000381607071 539004544 /nfs/dbraw/zinc/00/45/44/539004544.db2.gz QQORDXFCAZTRNA-LQPUYASZSA-N 0 3 225.282 3.582 20 0 BHADHN C/C=C/CN[C@H](CC)c1ccc(F)cc1F ZINC000381607072 539004836 /nfs/dbraw/zinc/00/48/36/539004836.db2.gz QQORDXFCAZTRNA-MASHWEEQSA-N 0 3 225.282 3.582 20 0 BHADHN Fc1cccc(CNC2(C3CC3)CC2)c1Cl ZINC000381617667 346442671 /nfs/dbraw/zinc/44/26/71/346442671.db2.gz WHYRCKYCHUFKTD-UHFFFAOYSA-N 0 3 239.721 3.511 20 0 BHADHN CCCCOCCN[C@H](C)c1csc(C)c1 ZINC000381620451 367440703 /nfs/dbraw/zinc/44/07/03/367440703.db2.gz ROZVASPIDDOYRA-GFCCVEGCSA-N 0 3 241.400 3.524 20 0 BHADHN CCCCOCCN[C@@H](C)c1csc(C)c1 ZINC000381620452 367440570 /nfs/dbraw/zinc/44/05/70/367440570.db2.gz ROZVASPIDDOYRA-LBPRGKRZSA-N 0 3 241.400 3.524 20 0 BHADHN C/C(=C/c1ccc(Cl)cc1)CN[C@@H](C)CF ZINC000381626883 367440192 /nfs/dbraw/zinc/44/01/92/367440192.db2.gz LSXCHPJWLNFPQS-BRNRAETOSA-N 0 3 241.737 3.691 20 0 BHADHN C/C(=C\c1ccc(Cl)cc1)CN[C@@H](C)CF ZINC000381626884 346475157 /nfs/dbraw/zinc/47/51/57/346475157.db2.gz LSXCHPJWLNFPQS-HUYFXPKMSA-N 0 3 241.737 3.691 20 0 BHADHN C/C(=C\c1ccc(Cl)cc1)CN[C@H](C)CF ZINC000381720296 367449841 /nfs/dbraw/zinc/44/98/41/367449841.db2.gz LSXCHPJWLNFPQS-PFEDMVJOSA-N 0 3 241.737 3.691 20 0 BHADHN C/C(=C/c1ccc(Cl)cc1)CN[C@H](C)CF ZINC000381720301 367450425 /nfs/dbraw/zinc/45/04/25/367450425.db2.gz LSXCHPJWLNFPQS-ZJRUKIMVSA-N 0 3 241.737 3.691 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@H]2CCCC2(F)F)o1 ZINC000381730464 367451261 /nfs/dbraw/zinc/45/12/61/367451261.db2.gz SMXQQLRRCBLJON-GHMZBOCLSA-N 0 3 243.297 3.674 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@@H]2CCCC2(F)F)o1 ZINC000381730482 367451449 /nfs/dbraw/zinc/45/14/49/367451449.db2.gz SMXQQLRRCBLJON-MNOVXSKESA-N 0 3 243.297 3.674 20 0 BHADHN Cc1ccc([C@H](C)NC[C@@H]2CCCC2(F)F)o1 ZINC000381730486 367451147 /nfs/dbraw/zinc/45/11/47/367451147.db2.gz SMXQQLRRCBLJON-QWRGUYRKSA-N 0 3 243.297 3.674 20 0 BHADHN Cc1ccc([C@H](C)NC[C@H]2CCCC2(F)F)o1 ZINC000381730489 367451464 /nfs/dbraw/zinc/45/14/64/367451464.db2.gz SMXQQLRRCBLJON-WDEREUQCSA-N 0 3 243.297 3.674 20 0 BHADHN CC[C@H]1CC[C@H](NCc2ccc(C)o2)CC1 ZINC000381812206 367459417 /nfs/dbraw/zinc/45/94/17/367459417.db2.gz HZDMMCPKHDVAOY-JOCQHMNTSA-N 0 3 221.344 3.646 20 0 BHADHN CC(C)=CCN[C@H](C)c1csc(C)c1 ZINC000381837433 367462287 /nfs/dbraw/zinc/46/22/87/367462287.db2.gz YDRCSDPITFRODL-LLVKDONJSA-N 0 3 209.358 3.673 20 0 BHADHN CC(C)=CCN[C@@H](C)c1csc(C)c1 ZINC000381837436 367461981 /nfs/dbraw/zinc/46/19/81/367461981.db2.gz YDRCSDPITFRODL-NSHDSACASA-N 0 3 209.358 3.673 20 0 BHADHN CC[C@H]1CC[C@H](N[C@H](C)c2cscn2)CC1 ZINC000381979236 367474983 /nfs/dbraw/zinc/47/49/83/367474983.db2.gz DUYGFIBNWYXDLI-IJLUTSLNSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H]1CC[C@H](N[C@@H](C)c2cscn2)CC1 ZINC000381979238 367475214 /nfs/dbraw/zinc/47/52/14/367475214.db2.gz DUYGFIBNWYXDLI-SRVKXCTJSA-N 0 3 238.400 3.763 20 0 BHADHN CC(C)C1(NCc2cccc(Cl)c2F)CC1 ZINC000382003778 398298535 /nfs/dbraw/zinc/29/85/35/398298535.db2.gz AIGMGZCEWSTSTI-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN Cc1ccccc1C(C)(C)NC/C=C/Cl ZINC000382028145 710766700 /nfs/dbraw/zinc/76/67/00/710766700.db2.gz SRXFNBAKZHBIIE-RMKNXTFCSA-N 0 3 223.747 3.572 20 0 BHADHN Cc1ccccc1C(C)(C)NC/C=C\Cl ZINC000382028147 710767294 /nfs/dbraw/zinc/76/72/94/710767294.db2.gz SRXFNBAKZHBIIE-TWGQIWQCSA-N 0 3 223.747 3.572 20 0 BHADHN Cc1ccsc1[C@@H](C)N[C@@H]1CCCC[C@H]1F ZINC000382029500 347081194 /nfs/dbraw/zinc/08/11/94/347081194.db2.gz TWKJAXMPKSKTKA-IJLUTSLNSA-N 0 3 241.375 3.988 20 0 BHADHN Cc1ccsc1[C@H](C)N[C@@H]1CCCC[C@H]1F ZINC000382029515 367479659 /nfs/dbraw/zinc/47/96/59/367479659.db2.gz TWKJAXMPKSKTKA-QJPTWQEYSA-N 0 3 241.375 3.988 20 0 BHADHN C[C@@H](Cc1ccsc1)N[C@@H]1CCCC[C@H]1F ZINC000382040403 347095959 /nfs/dbraw/zinc/09/59/59/347095959.db2.gz XKGWELPSUJCBMR-CYZMBNFOSA-N 0 3 241.375 3.549 20 0 BHADHN C[C@H](Cc1ccsc1)N[C@@H]1CCCC[C@H]1F ZINC000382040404 347095908 /nfs/dbraw/zinc/09/59/08/347095908.db2.gz XKGWELPSUJCBMR-RAIGVLPGSA-N 0 3 241.375 3.549 20 0 BHADHN C[C@H](N[C@H]1CCC[C@H]1F)c1ccc(Cl)cc1 ZINC000382102298 347172627 /nfs/dbraw/zinc/17/26/27/347172627.db2.gz HATZHKFPCLWTRB-BIMULSAOSA-N 0 3 241.737 3.881 20 0 BHADHN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(Cl)cc1 ZINC000382102300 367485284 /nfs/dbraw/zinc/48/52/84/367485284.db2.gz HATZHKFPCLWTRB-WQAKAFBOSA-N 0 3 241.737 3.881 20 0 BHADHN CC(C)C1(NCc2ccc(F)cc2Cl)CC1 ZINC000382106371 367485495 /nfs/dbraw/zinc/48/54/95/367485495.db2.gz IOEPEFAJKWOCKT-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN CC[C@H](NCc1cnccc1C)c1ccsc1 ZINC000382107173 367487555 /nfs/dbraw/zinc/48/75/55/367487555.db2.gz KDZGAOUKNRFSBB-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1cnccc1C)c1ccsc1 ZINC000382107175 367487419 /nfs/dbraw/zinc/48/74/19/367487419.db2.gz KDZGAOUKNRFSBB-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN CC(C)C1(NCc2cscc2Cl)CC1 ZINC000382108403 398306067 /nfs/dbraw/zinc/30/60/67/398306067.db2.gz JINJZWRTGTXKOO-UHFFFAOYSA-N 0 3 229.776 3.680 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CCC[C@H]2F)c(C)s1 ZINC000382114836 347332096 /nfs/dbraw/zinc/33/20/96/347332096.db2.gz LQQVFZUYFKVYAD-WQAKAFBOSA-N 0 3 241.375 3.906 20 0 BHADHN CC(C)(C)C1CC(NCc2ccc(Cl)o2)C1 ZINC000382115750 347191736 /nfs/dbraw/zinc/19/17/36/347191736.db2.gz MDAHVPMHGOKKJN-UHFFFAOYSA-N 0 3 241.762 3.847 20 0 BHADHN Cc1nc([C@@H](C)NC2(C(C)C)CC2)c(C)s1 ZINC000382129176 398305794 /nfs/dbraw/zinc/30/57/94/398305794.db2.gz WHBJFGXZODZCLY-SECBINFHSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@H](C)NC2(C(C)C)CC2)c(C)s1 ZINC000382129178 398305881 /nfs/dbraw/zinc/30/58/81/398305881.db2.gz WHBJFGXZODZCLY-VIFPVBQESA-N 0 3 238.400 3.599 20 0 BHADHN CC[C@@H](NCC=C(C)C)c1ccsc1 ZINC000382136796 367489860 /nfs/dbraw/zinc/48/98/60/367489860.db2.gz PVEHGJVCAUIUMX-GFCCVEGCSA-N 0 3 209.358 3.755 20 0 BHADHN CC[C@H](NCC=C(C)C)c1ccsc1 ZINC000382136799 367489952 /nfs/dbraw/zinc/48/99/52/367489952.db2.gz PVEHGJVCAUIUMX-LBPRGKRZSA-N 0 3 209.358 3.755 20 0 BHADHN C[C@H](NC1CC(C(C)(C)C)C1)c1ccoc1 ZINC000382143291 367490828 /nfs/dbraw/zinc/49/08/28/367490828.db2.gz NGJDCYRWAXDEEN-PKSQDBQZSA-N 0 3 221.344 3.755 20 0 BHADHN C[C@@H](NC1CC(C(C)(C)C)C1)c1ccoc1 ZINC000382143294 367490966 /nfs/dbraw/zinc/49/09/66/367490966.db2.gz NGJDCYRWAXDEEN-QFWMXSHPSA-N 0 3 221.344 3.755 20 0 BHADHN CC(C)C1(NCc2ccccc2Cl)CC1 ZINC000382147608 398256089 /nfs/dbraw/zinc/25/60/89/398256089.db2.gz OLDLXORZKCRABY-UHFFFAOYSA-N 0 3 223.747 3.618 20 0 BHADHN Cc1cccc([C@@H](C)N[C@H]2CCC[C@H]2F)c1 ZINC000382158490 367491409 /nfs/dbraw/zinc/49/14/09/367491409.db2.gz RZWGZWZKQKZDMJ-BNOWGMLFSA-N 0 3 221.319 3.536 20 0 BHADHN Cc1cccc([C@H](C)N[C@@H]2CCC[C@@H]2F)c1 ZINC000382158493 347477907 /nfs/dbraw/zinc/47/79/07/347477907.db2.gz RZWGZWZKQKZDMJ-FPMFFAJLSA-N 0 3 221.319 3.536 20 0 BHADHN Cc1cccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)c1 ZINC000382158497 347477795 /nfs/dbraw/zinc/47/77/95/347477795.db2.gz RZWGZWZKQKZDMJ-KWCYVHTRSA-N 0 3 221.319 3.536 20 0 BHADHN Cc1cccc([C@H](C)N[C@H]2CCC[C@H]2F)c1 ZINC000382158498 367491981 /nfs/dbraw/zinc/49/19/81/367491981.db2.gz RZWGZWZKQKZDMJ-YUTCNCBUSA-N 0 3 221.319 3.536 20 0 BHADHN CC(C)C1(NCc2sccc2Cl)CC1 ZINC000382168647 410992524 /nfs/dbraw/zinc/99/25/24/410992524.db2.gz VPXWEWSQKGHESH-UHFFFAOYSA-N 0 3 229.776 3.680 20 0 BHADHN CC[C@@H](NCCC(F)(F)F)c1ccsc1 ZINC000382173044 367493363 /nfs/dbraw/zinc/49/33/63/367493363.db2.gz WNXWTSOXUGVTFN-SECBINFHSA-N 0 3 237.290 3.741 20 0 BHADHN CC[C@H](NCCC(F)(F)F)c1ccsc1 ZINC000382173047 367493895 /nfs/dbraw/zinc/49/38/95/367493895.db2.gz WNXWTSOXUGVTFN-VIFPVBQESA-N 0 3 237.290 3.741 20 0 BHADHN CC[C@H](NCCC(C)(F)F)c1ccsc1 ZINC000382175426 367493296 /nfs/dbraw/zinc/49/32/96/367493296.db2.gz WXBSVYBVPYIRQF-JTQLQIEISA-N 0 3 233.327 3.834 20 0 BHADHN CC[C@@H](NCCC(C)(F)F)c1ccsc1 ZINC000382175428 347216846 /nfs/dbraw/zinc/21/68/46/347216846.db2.gz WXBSVYBVPYIRQF-SNVBAGLBSA-N 0 3 233.327 3.834 20 0 BHADHN CC(C)C1(NCc2cc(Cl)ccc2F)CC1 ZINC000382179095 348723628 /nfs/dbraw/zinc/72/36/28/348723628.db2.gz YVUURYIDQMHJDJ-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN Cc1cc(CN[C@@H]2CCC[C@@H]2F)ccc1Cl ZINC000382181948 348726068 /nfs/dbraw/zinc/72/60/68/348726068.db2.gz ZRQIHLQFUFMTPJ-QWHCGFSZSA-N 0 3 241.737 3.629 20 0 BHADHN F[C@@H]1CCCC[C@H]1NCc1cc(Cl)cs1 ZINC000382190730 367496528 /nfs/dbraw/zinc/49/65/28/367496528.db2.gz CHHJBOJYBODKJI-GHMZBOCLSA-N 0 3 247.766 3.772 20 0 BHADHN Cc1csc(CNCc2ccc(C)cc2)c1 ZINC000382240036 347244730 /nfs/dbraw/zinc/24/47/30/347244730.db2.gz GEKWMPMMHQDAAA-UHFFFAOYSA-N 0 3 231.364 3.655 20 0 BHADHN Cc1cc(Cl)cc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000382274235 367502797 /nfs/dbraw/zinc/50/27/97/367502797.db2.gz BXAADIHFKVDZJY-QWHCGFSZSA-N 0 3 241.737 3.629 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CCCC[C@H]2F)s1 ZINC000382281305 367504011 /nfs/dbraw/zinc/50/40/11/367504011.db2.gz JBQBBJQLPBCRDN-IJLUTSLNSA-N 0 3 241.375 3.988 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2F)s1 ZINC000382281322 367504214 /nfs/dbraw/zinc/50/42/14/367504214.db2.gz JBQBBJQLPBCRDN-QJPTWQEYSA-N 0 3 241.375 3.988 20 0 BHADHN CC[C@@H](F)CNC(C)(C)c1ccccc1C ZINC000382305108 347268525 /nfs/dbraw/zinc/26/85/25/347268525.db2.gz OODQWSVIPKPUCD-GFCCVEGCSA-N 0 3 223.335 3.568 20 0 BHADHN CC[C@H](F)CNC(C)(C)c1ccccc1C ZINC000382305109 347268549 /nfs/dbraw/zinc/26/85/49/347268549.db2.gz OODQWSVIPKPUCD-LBPRGKRZSA-N 0 3 223.335 3.568 20 0 BHADHN Cc1csc(CN[C@H](C)c2ccccc2)c1 ZINC000382319484 367507448 /nfs/dbraw/zinc/50/74/48/367507448.db2.gz ZCEAJULXOHGMFG-GFCCVEGCSA-N 0 3 231.364 3.907 20 0 BHADHN Cc1csc(CN[C@@H](C)c2ccccc2)c1 ZINC000382319486 367507939 /nfs/dbraw/zinc/50/79/39/367507939.db2.gz ZCEAJULXOHGMFG-LBPRGKRZSA-N 0 3 231.364 3.907 20 0 BHADHN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccsc1 ZINC000382340942 367509413 /nfs/dbraw/zinc/50/94/13/367509413.db2.gz ZSGFZBXRARDFBC-MVWJERBFSA-N 0 3 227.348 3.679 20 0 BHADHN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccsc1 ZINC000382340998 367508802 /nfs/dbraw/zinc/50/88/02/367508802.db2.gz ZSGFZBXRARDFBC-YUSALJHKSA-N 0 3 227.348 3.679 20 0 BHADHN CC[C@@H](N[C@H]1CCC[C@H]1F)c1ccccc1 ZINC000382348762 367510879 /nfs/dbraw/zinc/51/08/79/367510879.db2.gz GBMDRDYAOBDFNW-MCIONIFRSA-N 0 3 221.319 3.618 20 0 BHADHN Cc1cc(Cl)ccc1CN[C@H]1CCC[C@H]1F ZINC000382372334 397942136 /nfs/dbraw/zinc/94/21/36/397942136.db2.gz GXJZJFCKZDWXAF-OLZOCXBDSA-N 0 3 241.737 3.629 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000382398953 347310684 /nfs/dbraw/zinc/31/06/84/347310684.db2.gz PDKGERAPAQJZAM-BNOWGMLFSA-N 0 3 221.319 3.536 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@H]1CCC[C@H]1F ZINC000382398957 367515831 /nfs/dbraw/zinc/51/58/31/367515831.db2.gz PDKGERAPAQJZAM-YUTCNCBUSA-N 0 3 221.319 3.536 20 0 BHADHN CC(C)C1(NCc2ccc(Cl)cc2F)CC1 ZINC000382411140 367517894 /nfs/dbraw/zinc/51/78/94/367517894.db2.gz UMOBUWWSABVJGX-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN CCc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)s1 ZINC000382429866 367521358 /nfs/dbraw/zinc/52/13/58/367521358.db2.gz ZMIQGTHABNNVHH-ADEWGFFLSA-N 0 3 241.375 3.852 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2F)s1 ZINC000382429873 367521372 /nfs/dbraw/zinc/52/13/72/367521372.db2.gz ZMIQGTHABNNVHH-ZMLRMANQSA-N 0 3 241.375 3.852 20 0 BHADHN Cc1cc(CN[C@H]2CCC[C@H]2F)ccc1Cl ZINC000382430219 367522979 /nfs/dbraw/zinc/52/29/79/367522979.db2.gz ZRQIHLQFUFMTPJ-OLZOCXBDSA-N 0 3 241.737 3.629 20 0 BHADHN CCC1(NCc2ccncc2Cl)CCCC1 ZINC000382557090 347359042 /nfs/dbraw/zinc/35/90/42/347359042.db2.gz IZZLHDMXVBRQTP-UHFFFAOYSA-N 0 3 238.762 3.547 20 0 BHADHN CCC1(NC/C(Cl)=C/Cl)CCCC1 ZINC000382570341 711452871 /nfs/dbraw/zinc/45/28/71/711452871.db2.gz QBISCCXXVYRIAS-CLFYSBASSA-N 0 3 222.159 3.618 20 0 BHADHN CCC1(NC/C(Cl)=C\Cl)CCCC1 ZINC000382570342 711452820 /nfs/dbraw/zinc/45/28/20/711452820.db2.gz QBISCCXXVYRIAS-VQHVLOKHSA-N 0 3 222.159 3.618 20 0 BHADHN CCC1(NCc2ccc(Cl)o2)CCCC1 ZINC000382570878 367541728 /nfs/dbraw/zinc/54/17/28/367541728.db2.gz RCQGCWFPIZQALA-UHFFFAOYSA-N 0 3 227.735 3.745 20 0 BHADHN CCc1nc(CNC2(CC)CCCC2)cs1 ZINC000382582906 357919435 /nfs/dbraw/zinc/91/94/35/357919435.db2.gz YUUKSNBHZWJHQE-UHFFFAOYSA-N 0 3 238.400 3.518 20 0 BHADHN CCC1(NCc2cccc(F)c2F)CCCC1 ZINC000382592979 367546812 /nfs/dbraw/zinc/54/68/12/367546812.db2.gz DURYJBNWCGGMIP-UHFFFAOYSA-N 0 3 239.309 3.777 20 0 BHADHN CCC1(NCc2cc(F)ccc2F)CCCC1 ZINC000382592985 367546435 /nfs/dbraw/zinc/54/64/35/367546435.db2.gz DVVOZXLUBZKYBU-UHFFFAOYSA-N 0 3 239.309 3.777 20 0 BHADHN CC(C)(C)CCCNCc1cc(F)ccc1F ZINC000382678045 350946510 /nfs/dbraw/zinc/94/65/10/350946510.db2.gz AIHJFNBLNLROBG-UHFFFAOYSA-N 0 3 241.325 3.881 20 0 BHADHN CC[C@H](NCc1ccn(C(C)C)n1)C1CCCC1 ZINC000382812341 367560861 /nfs/dbraw/zinc/56/08/61/367560861.db2.gz QWBZEPSYQWXQBG-HNNXBMFYSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H](NCc1ccn(C(C)C)n1)C1CCCC1 ZINC000382812342 367560531 /nfs/dbraw/zinc/56/05/31/367560531.db2.gz QWBZEPSYQWXQBG-OAHLLOKOSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cscn1)C1CCCC1 ZINC000382830098 367561722 /nfs/dbraw/zinc/56/17/22/367561722.db2.gz ZAWSPQDBMZJOFL-CMPLNLGQSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](N[C@@H](C)c1cscn1)C1CCCC1 ZINC000382830099 367562419 /nfs/dbraw/zinc/56/24/19/367562419.db2.gz ZAWSPQDBMZJOFL-JQWIXIFHSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](N[C@H](C)c1cscn1)C1CCCC1 ZINC000382830101 367562512 /nfs/dbraw/zinc/56/25/12/367562512.db2.gz ZAWSPQDBMZJOFL-PWSUYJOCSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H](N[C@H](C)c1cscn1)C1CCCC1 ZINC000382830103 367561757 /nfs/dbraw/zinc/56/17/57/367561757.db2.gz ZAWSPQDBMZJOFL-ZYHUDNBSSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](CC(F)(F)F)NC/C=C\c1ccccc1 ZINC000383007757 367583977 /nfs/dbraw/zinc/58/39/77/367583977.db2.gz FDCSELFVXWTPGD-OFSNVTPPSA-N 0 3 243.272 3.630 20 0 BHADHN C[C@H](CC(F)(F)F)NC/C=C\c1ccccc1 ZINC000383007759 347541615 /nfs/dbraw/zinc/54/16/15/347541615.db2.gz FDCSELFVXWTPGD-UIJKISKDSA-N 0 3 243.272 3.630 20 0 BHADHN Cc1csc(CNCc2cc(C)cc(C)c2)c1 ZINC000383116593 367597942 /nfs/dbraw/zinc/59/79/42/367597942.db2.gz SDYVBEVGGDJUFC-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1csc(CNCc2cccc(C)c2C)c1 ZINC000383120508 352446679 /nfs/dbraw/zinc/44/66/79/352446679.db2.gz SVCKRQUPMMZDIV-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1csc(CNCc2ccc(C)c(F)c2)c1 ZINC000383126727 367599348 /nfs/dbraw/zinc/59/93/48/367599348.db2.gz UOGHBCQRDKQOFN-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN CCc1ccc(CNCc2cc(C)cs2)cc1 ZINC000383135944 367599577 /nfs/dbraw/zinc/59/95/77/367599577.db2.gz WGIYUXQDGQAVHP-UHFFFAOYSA-N 0 3 245.391 3.909 20 0 BHADHN CC(C)(CCNCc1ccccc1F)C1CC1 ZINC000383193564 367605725 /nfs/dbraw/zinc/60/57/25/367605725.db2.gz SKSUOAZHHHTVNC-UHFFFAOYSA-N 0 3 235.346 3.742 20 0 BHADHN CC1(C)CC[C@@H]1NCc1cc2ccccc2o1 ZINC000383317707 367612011 /nfs/dbraw/zinc/61/20/11/367612011.db2.gz BQYXIECTFSGMFI-AWEZNQCLSA-N 0 3 229.323 3.711 20 0 BHADHN CC1(C)CC[C@H]1NCc1cc2ccccc2o1 ZINC000383317710 367612181 /nfs/dbraw/zinc/61/21/81/367612181.db2.gz BQYXIECTFSGMFI-CQSZACIVSA-N 0 3 229.323 3.711 20 0 BHADHN C[C@@H](N[C@@H]1CCC1(C)C)c1cc(F)ccc1F ZINC000383367052 367616984 /nfs/dbraw/zinc/61/69/84/367616984.db2.gz VMPQJEKTASCMIY-NOZJJQNGSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H]1CCC1(C)C)c1cc(F)ccc1F ZINC000383367054 367616364 /nfs/dbraw/zinc/61/63/64/367616364.db2.gz VMPQJEKTASCMIY-RNCFNFMXSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CCC1(C)C)c1cc(F)ccc1F ZINC000383367063 348466363 /nfs/dbraw/zinc/46/63/63/348466363.db2.gz VMPQJEKTASCMIY-TVQRCGJNSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CCC1(C)C)c1cc(F)ccc1F ZINC000383367065 348466290 /nfs/dbraw/zinc/46/62/90/348466290.db2.gz VMPQJEKTASCMIY-ZANVPECISA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1C=CCCCCC1)c1cccc(O)c1 ZINC000383450763 367623055 /nfs/dbraw/zinc/62/30/55/367623055.db2.gz CERPOZMLAAGIQP-DZGCQCFKSA-N 0 3 245.366 3.932 20 0 BHADHN C[C@@H](N[C@H]1C=CCCCCC1)c1cccc(O)c1 ZINC000383450764 367623095 /nfs/dbraw/zinc/62/30/95/367623095.db2.gz CERPOZMLAAGIQP-HIFRSBDPSA-N 0 3 245.366 3.932 20 0 BHADHN C[C@@H](N[C@@H]1C=CCCCCC1)c1cccc(O)c1 ZINC000383450765 367623255 /nfs/dbraw/zinc/62/32/55/367623255.db2.gz CERPOZMLAAGIQP-UKRRQHHQSA-N 0 3 245.366 3.932 20 0 BHADHN C[C@H](N[C@H]1C=CCCCCC1)c1cccc(O)c1 ZINC000383450766 367623580 /nfs/dbraw/zinc/62/35/80/367623580.db2.gz CERPOZMLAAGIQP-ZFWWWQNUSA-N 0 3 245.366 3.932 20 0 BHADHN C[C@@H](N[C@@H]1CCC1(C)C)c1cccc(F)c1F ZINC000383478145 367626071 /nfs/dbraw/zinc/62/60/71/367626071.db2.gz RGKFFGFHDGMIQQ-BXKDBHETSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@H]1CCC1(C)C)c1cccc(F)c1F ZINC000383478150 367625905 /nfs/dbraw/zinc/62/59/05/367625905.db2.gz RGKFFGFHDGMIQQ-CABZTGNLSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](N[C@@H]1CCC1(C)C)c1cccc(F)c1F ZINC000383478154 367626268 /nfs/dbraw/zinc/62/62/68/367626268.db2.gz RGKFFGFHDGMIQQ-JOYOIKCWSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H]1CCC1(C)C)c1cccc(F)c1F ZINC000383478156 367625869 /nfs/dbraw/zinc/62/58/69/367625869.db2.gz RGKFFGFHDGMIQQ-SKDRFNHKSA-N 0 3 239.309 3.804 20 0 BHADHN CC(C)(C)C(C)(C)NCc1cc(F)ccc1F ZINC000383671174 398258578 /nfs/dbraw/zinc/25/85/78/398258578.db2.gz LVCDSEZOUICZAX-UHFFFAOYSA-N 0 3 241.325 3.879 20 0 BHADHN CCc1nc(CN[C@@H](C)CC(C)(C)C)cs1 ZINC000384522722 367696556 /nfs/dbraw/zinc/69/65/56/367696556.db2.gz BHFWTOGUEIOPFN-JTQLQIEISA-N 0 3 240.416 3.620 20 0 BHADHN CCc1nc(CN[C@H](C)CC(C)(C)C)cs1 ZINC000384522723 367696521 /nfs/dbraw/zinc/69/65/21/367696521.db2.gz BHFWTOGUEIOPFN-SNVBAGLBSA-N 0 3 240.416 3.620 20 0 BHADHN C[C@H](CC(C)(C)C)NCc1ncc(Cl)s1 ZINC000384531905 367697819 /nfs/dbraw/zinc/69/78/19/367697819.db2.gz MLTWNUQNRLBQNU-MRVPVSSYSA-N 0 3 246.807 3.711 20 0 BHADHN C[C@@H](CC(C)(C)C)NCc1ncc(Cl)s1 ZINC000384531907 367697484 /nfs/dbraw/zinc/69/74/84/367697484.db2.gz MLTWNUQNRLBQNU-QMMMGPOBSA-N 0 3 246.807 3.711 20 0 BHADHN Cc1cccc(CN[C@H](C)CC(F)(F)F)c1F ZINC000384534245 367698116 /nfs/dbraw/zinc/69/81/16/367698116.db2.gz MTYKBPRTLZJZAZ-SECBINFHSA-N 0 3 249.251 3.565 20 0 BHADHN Cc1cccc(CN[C@@H](C)CC(F)(F)F)c1F ZINC000384534247 367697951 /nfs/dbraw/zinc/69/79/51/367697951.db2.gz MTYKBPRTLZJZAZ-VIFPVBQESA-N 0 3 249.251 3.565 20 0 BHADHN Cc1cccc(CNCCc2cccs2)c1F ZINC000384541971 367699173 /nfs/dbraw/zinc/69/91/73/367699173.db2.gz OKFLIIBGKPFPIC-UHFFFAOYSA-N 0 3 249.354 3.528 20 0 BHADHN Cc1cccc(CNCCCC(F)(F)F)c1F ZINC000384548689 367698446 /nfs/dbraw/zinc/69/84/46/367698446.db2.gz PROWYMVBMOQPOV-UHFFFAOYSA-N 0 3 249.251 3.566 20 0 BHADHN CCc1cnc(CN[C@@H](C)CC(C)(C)C)s1 ZINC000384551305 367699103 /nfs/dbraw/zinc/69/91/03/367699103.db2.gz GFYBWOMLQLVRDX-JTQLQIEISA-N 0 3 240.416 3.620 20 0 BHADHN CCc1cnc(CN[C@H](C)CC(C)(C)C)s1 ZINC000384551306 367698521 /nfs/dbraw/zinc/69/85/21/367698521.db2.gz GFYBWOMLQLVRDX-SNVBAGLBSA-N 0 3 240.416 3.620 20 0 BHADHN C[C@H](CC(C)(C)C)N[C@H](C)c1cscn1 ZINC000384558240 367700289 /nfs/dbraw/zinc/70/02/89/367700289.db2.gz RMLZTGMTXCFZRN-NXEZZACHSA-N 0 3 226.389 3.618 20 0 BHADHN C[C@@H](CC(C)(C)C)N[C@@H](C)c1cscn1 ZINC000384558252 367700298 /nfs/dbraw/zinc/70/02/98/367700298.db2.gz RMLZTGMTXCFZRN-UWVGGRQHSA-N 0 3 226.389 3.618 20 0 BHADHN C[C@@H](N[C@@H](C)CC(C)(C)C)c1cscn1 ZINC000384558253 367699950 /nfs/dbraw/zinc/69/99/50/367699950.db2.gz RMLZTGMTXCFZRN-VHSXEESVSA-N 0 3 226.389 3.618 20 0 BHADHN C[C@H](CC(C)(C)C)N[C@@H](C)c1cscn1 ZINC000384558254 367699998 /nfs/dbraw/zinc/69/99/98/367699998.db2.gz RMLZTGMTXCFZRN-ZJUUUORDSA-N 0 3 226.389 3.618 20 0 BHADHN Cc1cccc(CNCCc2ccsc2)c1F ZINC000384572649 367702133 /nfs/dbraw/zinc/70/21/33/367702133.db2.gz VGUBSXFHDVUAIW-UHFFFAOYSA-N 0 3 249.354 3.528 20 0 BHADHN Cc1csc([C@@H](C)N[C@@H](C)CC(C)(C)C)n1 ZINC000384583886 367702956 /nfs/dbraw/zinc/70/29/56/367702956.db2.gz LDIGVOYJHKISNA-GXSJLCMTSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1csc([C@H](C)N[C@H](C)CC(C)(C)C)n1 ZINC000384583887 367702582 /nfs/dbraw/zinc/70/25/82/367702582.db2.gz LDIGVOYJHKISNA-KOLCDFICSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1csc([C@@H](C)N[C@H](C)CC(C)(C)C)n1 ZINC000384583888 367702658 /nfs/dbraw/zinc/70/26/58/367702658.db2.gz LDIGVOYJHKISNA-MWLCHTKSSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1csc([C@H](C)N[C@@H](C)CC(C)(C)C)n1 ZINC000384583889 367703485 /nfs/dbraw/zinc/70/34/85/367703485.db2.gz LDIGVOYJHKISNA-ONGXEEELSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1nc([C@@H](C)N[C@H](C)CC(C)(C)C)cs1 ZINC000384593093 367705589 /nfs/dbraw/zinc/70/55/89/367705589.db2.gz ZWZHONMULKUUBQ-NXEZZACHSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1nc([C@H](C)N[C@@H](C)CC(C)(C)C)cs1 ZINC000384593094 367706569 /nfs/dbraw/zinc/70/65/69/367706569.db2.gz ZWZHONMULKUUBQ-UWVGGRQHSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1nc([C@@H](C)N[C@@H](C)CC(C)(C)C)cs1 ZINC000384593095 367705937 /nfs/dbraw/zinc/70/59/37/367705937.db2.gz ZWZHONMULKUUBQ-VHSXEESVSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1nc([C@H](C)N[C@H](C)CC(C)(C)C)cs1 ZINC000384593096 367705845 /nfs/dbraw/zinc/70/58/45/367705845.db2.gz ZWZHONMULKUUBQ-ZJUUUORDSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1cnc([C@@H](C)N[C@@H](C)CC(C)(C)C)s1 ZINC000384633644 367710112 /nfs/dbraw/zinc/71/01/12/367710112.db2.gz RPDHJNAOIZLNPI-GXSJLCMTSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1cnc([C@H](C)N[C@H](C)CC(C)(C)C)s1 ZINC000384633646 367710592 /nfs/dbraw/zinc/71/05/92/367710592.db2.gz RPDHJNAOIZLNPI-KOLCDFICSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1cnc([C@@H](C)N[C@H](C)CC(C)(C)C)s1 ZINC000384633647 367710693 /nfs/dbraw/zinc/71/06/93/367710693.db2.gz RPDHJNAOIZLNPI-MWLCHTKSSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H](C)CC(C)(C)C)s1 ZINC000384633648 367710396 /nfs/dbraw/zinc/71/03/96/367710396.db2.gz RPDHJNAOIZLNPI-ONGXEEELSA-N 0 3 240.416 3.927 20 0 BHADHN C[C@@H](CC(C)(C)C)NCc1ccncc1Cl ZINC000384645398 367711685 /nfs/dbraw/zinc/71/16/85/367711685.db2.gz MDUCFYACTPDESN-JTQLQIEISA-N 0 3 240.778 3.649 20 0 BHADHN C[C@H](CC(C)(C)C)NCc1ccncc1Cl ZINC000384645402 367712242 /nfs/dbraw/zinc/71/22/42/367712242.db2.gz MDUCFYACTPDESN-SNVBAGLBSA-N 0 3 240.778 3.649 20 0 BHADHN Cc1nc(CN[C@H](C)CC(C)(C)C)sc1C ZINC000384646831 367712036 /nfs/dbraw/zinc/71/20/36/367712036.db2.gz MJVLHWRLWXTLMF-SECBINFHSA-N 0 3 240.416 3.674 20 0 BHADHN Cc1nc(CN[C@@H](C)CC(C)(C)C)sc1C ZINC000384646844 367711491 /nfs/dbraw/zinc/71/14/91/367711491.db2.gz MJVLHWRLWXTLMF-VIFPVBQESA-N 0 3 240.416 3.674 20 0 BHADHN CC/C=C\CN[C@H](C)c1cc(C)oc1C ZINC000384699972 367717332 /nfs/dbraw/zinc/71/73/32/367717332.db2.gz AJTBADFEZGHBSV-JMEBYUIHSA-N 0 3 207.317 3.513 20 0 BHADHN CC/C=C/CN[C@@H](C)c1cc(C)oc1C ZINC000384699973 350476368 /nfs/dbraw/zinc/47/63/68/350476368.db2.gz AJTBADFEZGHBSV-MLRMMBSGSA-N 0 3 207.317 3.513 20 0 BHADHN CC/C=C/CN[C@H](C)c1cc(C)oc1C ZINC000384699974 350476932 /nfs/dbraw/zinc/47/69/32/350476932.db2.gz AJTBADFEZGHBSV-XUIVZRPNSA-N 0 3 207.317 3.513 20 0 BHADHN CC/C=C\CN[C@@H](C)c1cc(C)oc1C ZINC000384699975 350476383 /nfs/dbraw/zinc/47/63/83/350476383.db2.gz AJTBADFEZGHBSV-ZADCQDASSA-N 0 3 207.317 3.513 20 0 BHADHN CC/C=C\CN[C@@H](C)c1ccc(C)s1 ZINC000384709140 367719070 /nfs/dbraw/zinc/71/90/70/367719070.db2.gz CXXFTKKWUVBBPM-GZTOBOFZSA-N 0 3 209.358 3.673 20 0 BHADHN CC/C=C\CN[C@H](C)c1ccc(C)s1 ZINC000384709145 367719255 /nfs/dbraw/zinc/71/92/55/367719255.db2.gz CXXFTKKWUVBBPM-ISALQUGTSA-N 0 3 209.358 3.673 20 0 BHADHN CC/C=C/CN[C@H](C)c1ccc(C)s1 ZINC000384709146 367719314 /nfs/dbraw/zinc/71/93/14/367719314.db2.gz CXXFTKKWUVBBPM-MVIFTORASA-N 0 3 209.358 3.673 20 0 BHADHN CC/C=C/CN[C@@H](C)c1ccc(C)s1 ZINC000384709147 367719552 /nfs/dbraw/zinc/71/95/52/367719552.db2.gz CXXFTKKWUVBBPM-QRGHLMKCSA-N 0 3 209.358 3.673 20 0 BHADHN C[C@H](CC(C)(C)C)N[C@H](C)c1nccs1 ZINC000384709838 367719501 /nfs/dbraw/zinc/71/95/01/367719501.db2.gz GFSLIZSZPFRWKE-NXEZZACHSA-N 0 3 226.389 3.618 20 0 BHADHN C[C@@H](CC(C)(C)C)N[C@@H](C)c1nccs1 ZINC000384709839 367719122 /nfs/dbraw/zinc/71/91/22/367719122.db2.gz GFSLIZSZPFRWKE-UWVGGRQHSA-N 0 3 226.389 3.618 20 0 BHADHN C[C@@H](N[C@@H](C)CC(C)(C)C)c1nccs1 ZINC000384709840 367718801 /nfs/dbraw/zinc/71/88/01/367718801.db2.gz GFSLIZSZPFRWKE-VHSXEESVSA-N 0 3 226.389 3.618 20 0 BHADHN C[C@H](CC(C)(C)C)N[C@@H](C)c1nccs1 ZINC000384709841 367719012 /nfs/dbraw/zinc/71/90/12/367719012.db2.gz GFSLIZSZPFRWKE-ZJUUUORDSA-N 0 3 226.389 3.618 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000384712789 541515590 /nfs/dbraw/zinc/51/55/90/541515590.db2.gz DYPTVHMGBNZOHR-CFHLNLSMSA-N 0 3 233.355 3.701 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000384712799 541515483 /nfs/dbraw/zinc/51/54/83/541515483.db2.gz DYPTVHMGBNZOHR-GFUIURDCSA-N 0 3 233.355 3.701 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000384712802 541515654 /nfs/dbraw/zinc/51/56/54/541515654.db2.gz DYPTVHMGBNZOHR-SZZPACECSA-N 0 3 233.355 3.701 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000384712803 541515425 /nfs/dbraw/zinc/51/54/25/541515425.db2.gz DYPTVHMGBNZOHR-URWSZGRFSA-N 0 3 233.355 3.701 20 0 BHADHN CC/C=C\CN[C@@H](C)c1sccc1C ZINC000384726044 367722702 /nfs/dbraw/zinc/72/27/02/367722702.db2.gz IHSHEHAKBAWXIG-GZTOBOFZSA-N 0 3 209.358 3.673 20 0 BHADHN CC/C=C\CN[C@H](C)c1sccc1C ZINC000384726055 367722237 /nfs/dbraw/zinc/72/22/37/367722237.db2.gz IHSHEHAKBAWXIG-ISALQUGTSA-N 0 3 209.358 3.673 20 0 BHADHN CC/C=C/CN[C@H](C)c1sccc1C ZINC000384726067 367722432 /nfs/dbraw/zinc/72/24/32/367722432.db2.gz IHSHEHAKBAWXIG-MVIFTORASA-N 0 3 209.358 3.673 20 0 BHADHN CC/C=C/CN[C@@H](C)c1sccc1C ZINC000384726080 367721650 /nfs/dbraw/zinc/72/16/50/367721650.db2.gz IHSHEHAKBAWXIG-QRGHLMKCSA-N 0 3 209.358 3.673 20 0 BHADHN CC/C=C\CN[C@@H](CC)c1cccs1 ZINC000384730446 367722564 /nfs/dbraw/zinc/72/25/64/367722564.db2.gz JLQVSXNJQTVMST-GZTOBOFZSA-N 0 3 209.358 3.755 20 0 BHADHN CC/C=C\CN[C@H](CC)c1cccs1 ZINC000384730451 350494565 /nfs/dbraw/zinc/49/45/65/350494565.db2.gz JLQVSXNJQTVMST-ISALQUGTSA-N 0 3 209.358 3.755 20 0 BHADHN CC/C=C/CN[C@H](CC)c1cccs1 ZINC000384730452 350495030 /nfs/dbraw/zinc/49/50/30/350495030.db2.gz JLQVSXNJQTVMST-MVIFTORASA-N 0 3 209.358 3.755 20 0 BHADHN CC/C=C/CN[C@@H](CC)c1cccs1 ZINC000384730453 350495218 /nfs/dbraw/zinc/49/52/18/350495218.db2.gz JLQVSXNJQTVMST-QRGHLMKCSA-N 0 3 209.358 3.755 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000384734643 541515461 /nfs/dbraw/zinc/51/54/61/541515461.db2.gz BVRZCFPZRMSBEK-FSIBCCDJSA-N 0 3 241.281 3.515 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000384734644 541515642 /nfs/dbraw/zinc/51/56/42/541515642.db2.gz BVRZCFPZRMSBEK-HMDXOVGESA-N 0 3 241.281 3.515 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000384734645 541515473 /nfs/dbraw/zinc/51/54/73/541515473.db2.gz BVRZCFPZRMSBEK-UMBAGQNISA-N 0 3 241.281 3.515 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000384734647 541515612 /nfs/dbraw/zinc/51/56/12/541515612.db2.gz BVRZCFPZRMSBEK-XOULXFPDSA-N 0 3 241.281 3.515 20 0 BHADHN CC/C=C/CN[C@H](CC)c1ccsc1 ZINC000384738931 367725434 /nfs/dbraw/zinc/72/54/34/367725434.db2.gz LKMPCFABVXSPFW-BTDICHCPSA-N 0 3 209.358 3.755 20 0 BHADHN CC/C=C\CN[C@@H](CC)c1ccsc1 ZINC000384738932 367724687 /nfs/dbraw/zinc/72/46/87/367724687.db2.gz LKMPCFABVXSPFW-FJOGCWAESA-N 0 3 209.358 3.755 20 0 BHADHN CC/C=C\CN[C@H](CC)c1ccsc1 ZINC000384738935 367725283 /nfs/dbraw/zinc/72/52/83/367725283.db2.gz LKMPCFABVXSPFW-FOQNGQEVSA-N 0 3 209.358 3.755 20 0 BHADHN CC/C=C/CN[C@@H](CC)c1ccsc1 ZINC000384738939 367725640 /nfs/dbraw/zinc/72/56/40/367725640.db2.gz LKMPCFABVXSPFW-FYJFLYSWSA-N 0 3 209.358 3.755 20 0 BHADHN C/C=C\CN[C@H]1C[C@H](C)Sc2sccc21 ZINC000384753396 344103943 /nfs/dbraw/zinc/10/39/43/344103943.db2.gz OTMZFUHTDLWCNC-AKGUPNBXSA-N 0 3 239.409 3.839 20 0 BHADHN C/C=C/CN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000384753398 344103957 /nfs/dbraw/zinc/10/39/57/344103957.db2.gz OTMZFUHTDLWCNC-NCDNIOQDSA-N 0 3 239.409 3.839 20 0 BHADHN C/C=C\CN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000384753399 344103926 /nfs/dbraw/zinc/10/39/26/344103926.db2.gz OTMZFUHTDLWCNC-QLCCLCOCSA-N 0 3 239.409 3.839 20 0 BHADHN C/C=C/CN[C@H]1C[C@H](C)Sc2sccc21 ZINC000384753400 344103836 /nfs/dbraw/zinc/10/38/36/344103836.db2.gz OTMZFUHTDLWCNC-UEVFTQGLSA-N 0 3 239.409 3.839 20 0 BHADHN C/C=C\CN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000384760886 541515772 /nfs/dbraw/zinc/51/57/72/541515772.db2.gz AMPSFMVPKFAKDF-DOGVGXBMSA-N 0 3 245.322 3.668 20 0 BHADHN C/C=C/CN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000384760887 541515904 /nfs/dbraw/zinc/51/59/04/541515904.db2.gz AMPSFMVPKFAKDF-SGUJLRQBSA-N 0 3 245.322 3.668 20 0 BHADHN C/C=C\CN[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000384760888 541515516 /nfs/dbraw/zinc/51/55/16/541515516.db2.gz AMPSFMVPKFAKDF-WYGGZMRJSA-N 0 3 245.322 3.668 20 0 BHADHN C/C=C/CN[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000384760890 541515712 /nfs/dbraw/zinc/51/57/12/541515712.db2.gz AMPSFMVPKFAKDF-ZWNMCFTASA-N 0 3 245.322 3.668 20 0 BHADHN C/C=C/CN[C@@H](C)c1cnc2ccsc2c1 ZINC000384802388 344162948 /nfs/dbraw/zinc/16/29/48/344162948.db2.gz YJVGBMUARMGQGS-FSIBCCDJSA-N 0 3 232.352 3.523 20 0 BHADHN C/C=C/CN[C@H](C)c1cnc2ccsc2c1 ZINC000384802389 344162805 /nfs/dbraw/zinc/16/28/05/344162805.db2.gz YJVGBMUARMGQGS-HMDXOVGESA-N 0 3 232.352 3.523 20 0 BHADHN C/C=C\CN[C@H](C)c1cnc2ccsc2c1 ZINC000384802390 344162743 /nfs/dbraw/zinc/16/27/43/344162743.db2.gz YJVGBMUARMGQGS-UMBAGQNISA-N 0 3 232.352 3.523 20 0 BHADHN C/C=C\CN[C@@H](C)c1cnc2ccsc2c1 ZINC000384802391 344162669 /nfs/dbraw/zinc/16/26/69/344162669.db2.gz YJVGBMUARMGQGS-XOULXFPDSA-N 0 3 232.352 3.523 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccccc1OC(F)F ZINC000384817355 541515353 /nfs/dbraw/zinc/51/53/53/541515353.db2.gz DLDOTMYITPZYFR-FSIBCCDJSA-N 0 3 241.281 3.515 20 0 BHADHN C/C=C/CN[C@H](C)c1ccccc1OC(F)F ZINC000384817357 541515663 /nfs/dbraw/zinc/51/56/63/541515663.db2.gz DLDOTMYITPZYFR-HMDXOVGESA-N 0 3 241.281 3.515 20 0 BHADHN C/C=C\CN[C@H](C)c1ccccc1OC(F)F ZINC000384817358 541515599 /nfs/dbraw/zinc/51/55/99/541515599.db2.gz DLDOTMYITPZYFR-UMBAGQNISA-N 0 3 241.281 3.515 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccccc1OC(F)F ZINC000384817359 541515292 /nfs/dbraw/zinc/51/52/92/541515292.db2.gz DLDOTMYITPZYFR-XOULXFPDSA-N 0 3 241.281 3.515 20 0 BHADHN C/C=C/CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000384832257 541515620 /nfs/dbraw/zinc/51/56/20/541515620.db2.gz HAIHBZYZAITXHU-FSIBCCDJSA-N 0 3 241.281 3.515 20 0 BHADHN C/C=C/CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000384832258 541515790 /nfs/dbraw/zinc/51/57/90/541515790.db2.gz HAIHBZYZAITXHU-HMDXOVGESA-N 0 3 241.281 3.515 20 0 BHADHN C/C=C\CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000384832268 541515728 /nfs/dbraw/zinc/51/57/28/541515728.db2.gz HAIHBZYZAITXHU-UMBAGQNISA-N 0 3 241.281 3.515 20 0 BHADHN C/C=C\CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000384832269 541515431 /nfs/dbraw/zinc/51/54/31/541515431.db2.gz HAIHBZYZAITXHU-XOULXFPDSA-N 0 3 241.281 3.515 20 0 BHADHN C/C=C/CN[C@@H](C)c1oc2ccccc2c1C ZINC000384832856 541515338 /nfs/dbraw/zinc/51/53/38/541515338.db2.gz HEIOAOXSFJJODA-ITKZLYELSA-N 0 3 229.323 3.968 20 0 BHADHN C/C=C\CN[C@H](C)c1oc2ccccc2c1C ZINC000384832862 541515468 /nfs/dbraw/zinc/51/54/68/541515468.db2.gz HEIOAOXSFJJODA-QMAVJUDZSA-N 0 3 229.323 3.968 20 0 BHADHN C/C=C\CN[C@@H](C)c1oc2ccccc2c1C ZINC000384833114 541515346 /nfs/dbraw/zinc/51/53/46/541515346.db2.gz HEIOAOXSFJJODA-RXNFCKPNSA-N 0 3 229.323 3.968 20 0 BHADHN C/C=C/CN[C@H](C)c1oc2ccccc2c1C ZINC000384833116 541515691 /nfs/dbraw/zinc/51/56/91/541515691.db2.gz HEIOAOXSFJJODA-ZYOFXKKJSA-N 0 3 229.323 3.968 20 0 BHADHN C/C=C\CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000384836046 344169656 /nfs/dbraw/zinc/16/96/56/344169656.db2.gz HUWWVQMMSURNQZ-IHWYPQMZSA-N 0 3 247.235 3.510 20 0 BHADHN C/C=C/CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000384836047 344169504 /nfs/dbraw/zinc/16/95/04/344169504.db2.gz HUWWVQMMSURNQZ-NSCUHMNNSA-N 0 3 247.235 3.510 20 0 BHADHN CC/C=C/CN[C@@H]1CCCc2sccc21 ZINC000384841991 350595279 /nfs/dbraw/zinc/59/52/79/350595279.db2.gz JGMRFKCKFIUVAD-AAOUONPWSA-N 0 3 221.369 3.681 20 0 BHADHN CC/C=C\CN[C@H]1CCCc2sccc21 ZINC000384841992 350595361 /nfs/dbraw/zinc/59/53/61/350595361.db2.gz JGMRFKCKFIUVAD-MVZIDQBPSA-N 0 3 221.369 3.681 20 0 BHADHN CC/C=C/CN[C@H]1CCCc2sccc21 ZINC000384841993 350595441 /nfs/dbraw/zinc/59/54/41/350595441.db2.gz JGMRFKCKFIUVAD-PCAWENJQSA-N 0 3 221.369 3.681 20 0 BHADHN CC/C=C\CN[C@@H]1CCCc2sccc21 ZINC000384841994 350595419 /nfs/dbraw/zinc/59/54/19/350595419.db2.gz JGMRFKCKFIUVAD-VSQXVHSFSA-N 0 3 221.369 3.681 20 0 BHADHN Cc1ccoc1CN[C@H](C)CC(C)(C)C ZINC000384843451 367741485 /nfs/dbraw/zinc/74/14/85/367741485.db2.gz AEUPBERROTYTGD-LLVKDONJSA-N 0 3 209.333 3.502 20 0 BHADHN Cc1ccoc1CN[C@@H](C)CC(C)(C)C ZINC000384843459 367741989 /nfs/dbraw/zinc/74/19/89/367741989.db2.gz AEUPBERROTYTGD-NSHDSACASA-N 0 3 209.333 3.502 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000384879368 539012953 /nfs/dbraw/zinc/01/29/53/539012953.db2.gz QKCYAWUVQHWOMC-FSIBCCDJSA-N 0 3 243.272 3.932 20 0 BHADHN C/C=C/CN[C@H](C)c1ccccc1C(F)(F)F ZINC000384879369 539013186 /nfs/dbraw/zinc/01/31/86/539013186.db2.gz QKCYAWUVQHWOMC-HMDXOVGESA-N 0 3 243.272 3.932 20 0 BHADHN C/C=C\CN[C@H](C)c1ccccc1C(F)(F)F ZINC000384879370 539013268 /nfs/dbraw/zinc/01/32/68/539013268.db2.gz QKCYAWUVQHWOMC-UMBAGQNISA-N 0 3 243.272 3.932 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000384879371 539013207 /nfs/dbraw/zinc/01/32/07/539013207.db2.gz QKCYAWUVQHWOMC-XOULXFPDSA-N 0 3 243.272 3.932 20 0 BHADHN C/C=C\CNCc1cc(F)cc(C(F)(F)F)c1 ZINC000384884604 367750033 /nfs/dbraw/zinc/75/00/33/367750033.db2.gz RUDHIDRAZOJZIX-IHWYPQMZSA-N 0 3 247.235 3.510 20 0 BHADHN C/C=C/CNCc1cc(F)cc(C(F)(F)F)c1 ZINC000384884605 367750819 /nfs/dbraw/zinc/75/08/19/367750819.db2.gz RUDHIDRAZOJZIX-NSCUHMNNSA-N 0 3 247.235 3.510 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000384887751 398115379 /nfs/dbraw/zinc/11/53/79/398115379.db2.gz SOBKZHJPUVIOFP-DHCBQETCSA-N 0 3 229.367 3.792 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000384887752 398115213 /nfs/dbraw/zinc/11/52/13/398115213.db2.gz SOBKZHJPUVIOFP-ITDFMYJTSA-N 0 3 229.367 3.792 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000384887755 398115969 /nfs/dbraw/zinc/11/59/69/398115969.db2.gz SOBKZHJPUVIOFP-OOPCZODUSA-N 0 3 229.367 3.792 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000384887757 398116076 /nfs/dbraw/zinc/11/60/76/398116076.db2.gz SOBKZHJPUVIOFP-SCOBNMCVSA-N 0 3 229.367 3.792 20 0 BHADHN C[C@H](CC(C)(C)C)N[C@H](C)c1ccco1 ZINC000384892726 367752195 /nfs/dbraw/zinc/75/21/95/367752195.db2.gz LHPKOALWKJGNHX-GHMZBOCLSA-N 0 3 209.333 3.755 20 0 BHADHN C[C@H](CC(C)(C)C)N[C@@H](C)c1ccco1 ZINC000384892727 367751717 /nfs/dbraw/zinc/75/17/17/367751717.db2.gz LHPKOALWKJGNHX-MNOVXSKESA-N 0 3 209.333 3.755 20 0 BHADHN C[C@@H](CC(C)(C)C)N[C@@H](C)c1ccco1 ZINC000384892728 367752032 /nfs/dbraw/zinc/75/20/32/367752032.db2.gz LHPKOALWKJGNHX-QWRGUYRKSA-N 0 3 209.333 3.755 20 0 BHADHN C[C@@H](N[C@@H](C)CC(C)(C)C)c1ccco1 ZINC000384892729 367751737 /nfs/dbraw/zinc/75/17/37/367751737.db2.gz LHPKOALWKJGNHX-WDEREUQCSA-N 0 3 209.333 3.755 20 0 BHADHN C[C@@H](NCC(C)(C)C1CCC1)c1ccco1 ZINC000384904730 367754860 /nfs/dbraw/zinc/75/48/60/367754860.db2.gz BTMYRQSDJDEIDL-LLVKDONJSA-N 0 3 221.344 3.757 20 0 BHADHN C[C@H](NCC(C)(C)C1CCC1)c1ccco1 ZINC000384904731 367754811 /nfs/dbraw/zinc/75/48/11/367754811.db2.gz BTMYRQSDJDEIDL-NSHDSACASA-N 0 3 221.344 3.757 20 0 BHADHN C/C=C/CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000384917327 398260640 /nfs/dbraw/zinc/26/06/40/398260640.db2.gz ZHCYGXHLZHFNHF-FSIBCCDJSA-N 0 3 243.272 3.932 20 0 BHADHN C/C=C/CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000384917328 398117895 /nfs/dbraw/zinc/11/78/95/398117895.db2.gz ZHCYGXHLZHFNHF-HMDXOVGESA-N 0 3 243.272 3.932 20 0 BHADHN C/C=C\CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000384917329 398117833 /nfs/dbraw/zinc/11/78/33/398117833.db2.gz ZHCYGXHLZHFNHF-UMBAGQNISA-N 0 3 243.272 3.932 20 0 BHADHN C/C=C\CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000384917330 398117776 /nfs/dbraw/zinc/11/77/76/398117776.db2.gz ZHCYGXHLZHFNHF-XOULXFPDSA-N 0 3 243.272 3.932 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000384918954 539012930 /nfs/dbraw/zinc/01/29/30/539012930.db2.gz ZLQWUZQNHXLNSG-FSIBCCDJSA-N 0 3 243.272 3.932 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000384918955 539013029 /nfs/dbraw/zinc/01/30/29/539013029.db2.gz ZLQWUZQNHXLNSG-HMDXOVGESA-N 0 3 243.272 3.932 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000384918960 539012900 /nfs/dbraw/zinc/01/29/00/539012900.db2.gz ZLQWUZQNHXLNSG-UMBAGQNISA-N 0 3 243.272 3.932 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000384918963 539013138 /nfs/dbraw/zinc/01/31/38/539013138.db2.gz ZLQWUZQNHXLNSG-XOULXFPDSA-N 0 3 243.272 3.932 20 0 BHADHN Cc1ccoc1CNCC(C)(C)C1CCC1 ZINC000384964432 367766777 /nfs/dbraw/zinc/76/67/77/367766777.db2.gz OBBQCWJBPXHQTM-UHFFFAOYSA-N 0 3 221.344 3.504 20 0 BHADHN C[C@H](NCC(C)(C)C1CCC1)c1cscn1 ZINC000384983208 367769907 /nfs/dbraw/zinc/76/99/07/367769907.db2.gz RCVSLAUVBAIUPV-JTQLQIEISA-N 0 3 238.400 3.620 20 0 BHADHN C[C@@H](NCC(C)(C)C1CCC1)c1cscn1 ZINC000384983210 367770384 /nfs/dbraw/zinc/77/03/84/367770384.db2.gz RCVSLAUVBAIUPV-SNVBAGLBSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H](NCC(C)(C)C1CCC1)c1nccs1 ZINC000384987637 367769848 /nfs/dbraw/zinc/76/98/48/367769848.db2.gz SGZUBYMVDRBYGU-JTQLQIEISA-N 0 3 238.400 3.620 20 0 BHADHN C[C@@H](NCC(C)(C)C1CCC1)c1nccs1 ZINC000384987638 367769549 /nfs/dbraw/zinc/76/95/49/367769549.db2.gz SGZUBYMVDRBYGU-SNVBAGLBSA-N 0 3 238.400 3.620 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(CC)s1 ZINC000385010495 344294694 /nfs/dbraw/zinc/29/46/94/344294694.db2.gz NFRHCVIRBJYRDD-AYYIZTPMSA-N 0 3 209.358 3.537 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(CC)s1 ZINC000385010502 367772666 /nfs/dbraw/zinc/77/26/66/367772666.db2.gz NFRHCVIRBJYRDD-DFVUYQKZSA-N 0 3 209.358 3.537 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(CC)s1 ZINC000385010503 367772589 /nfs/dbraw/zinc/77/25/89/367772589.db2.gz NFRHCVIRBJYRDD-OAQKJQOQSA-N 0 3 209.358 3.537 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(CC)s1 ZINC000385010504 344294400 /nfs/dbraw/zinc/29/44/00/344294400.db2.gz NFRHCVIRBJYRDD-RWCYGVJQSA-N 0 3 209.358 3.537 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000385011115 539013239 /nfs/dbraw/zinc/01/32/39/539013239.db2.gz NIAPWANRGAYOCF-GEXIGZQTSA-N 0 3 247.382 3.948 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000385011117 539013245 /nfs/dbraw/zinc/01/32/45/539013245.db2.gz NIAPWANRGAYOCF-GJBLVYBDSA-N 0 3 247.382 3.948 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000385011118 539013090 /nfs/dbraw/zinc/01/30/90/539013090.db2.gz NIAPWANRGAYOCF-GXMNPTEKSA-N 0 3 247.382 3.948 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000385011120 539012976 /nfs/dbraw/zinc/01/29/76/539012976.db2.gz NIAPWANRGAYOCF-VBROQKIQSA-N 0 3 247.382 3.948 20 0 BHADHN C/C=C\CNCc1c(OC)ccc2ccccc21 ZINC000385019131 384178732 /nfs/dbraw/zinc/17/87/32/384178732.db2.gz OGELOUUBKFYXPN-ARJAWSKDSA-N 0 3 241.334 3.514 20 0 BHADHN C/C=C/CNCc1c(OC)ccc2ccccc21 ZINC000385019132 384177915 /nfs/dbraw/zinc/17/79/15/384177915.db2.gz OGELOUUBKFYXPN-ONEGZZNKSA-N 0 3 241.334 3.514 20 0 BHADHN C/C=C/CN[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000385081511 356893219 /nfs/dbraw/zinc/89/32/19/356893219.db2.gz WURUQKUUQYHQPY-KQIUPUNMSA-N 0 3 248.326 3.602 20 0 BHADHN C/C=C/CN[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000385081513 356893228 /nfs/dbraw/zinc/89/32/28/356893228.db2.gz WURUQKUUQYHQPY-LYKUJDHUSA-N 0 3 248.326 3.602 20 0 BHADHN C/C=C\CN[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000385081515 356893244 /nfs/dbraw/zinc/89/32/44/356893244.db2.gz WURUQKUUQYHQPY-MFBWXBCUSA-N 0 3 248.326 3.602 20 0 BHADHN C/C=C\CN[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000385081516 356893225 /nfs/dbraw/zinc/89/32/25/356893225.db2.gz WURUQKUUQYHQPY-PKXJPQMGSA-N 0 3 248.326 3.602 20 0 BHADHN C/C=C\CNCc1ccc2cc(OC)ccc2c1 ZINC000385094495 367787943 /nfs/dbraw/zinc/78/79/43/367787943.db2.gz YNVGCFSVMPXRPL-ARJAWSKDSA-N 0 3 241.334 3.514 20 0 BHADHN C/C=C/CNCc1ccc2cc(OC)ccc2c1 ZINC000385094506 344323828 /nfs/dbraw/zinc/32/38/28/344323828.db2.gz YNVGCFSVMPXRPL-ONEGZZNKSA-N 0 3 241.334 3.514 20 0 BHADHN CC/C=C\CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000385105027 367790425 /nfs/dbraw/zinc/79/04/25/367790425.db2.gz BSJAWLWBLUQAJZ-LWTINBJPSA-N 0 3 225.282 3.582 20 0 BHADHN CC/C=C/CN[C@H](C)c1cc(F)cc(F)c1 ZINC000385105035 367792116 /nfs/dbraw/zinc/79/21/16/367792116.db2.gz BSJAWLWBLUQAJZ-ORAHPGNNSA-N 0 3 225.282 3.582 20 0 BHADHN CC/C=C\CN[C@H](C)c1cc(F)cc(F)c1 ZINC000385105042 367792198 /nfs/dbraw/zinc/79/21/98/367792198.db2.gz BSJAWLWBLUQAJZ-UMCURTJPSA-N 0 3 225.282 3.582 20 0 BHADHN CC/C=C/CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000385105045 367792303 /nfs/dbraw/zinc/79/23/03/367792303.db2.gz BSJAWLWBLUQAJZ-YEZKRMTDSA-N 0 3 225.282 3.582 20 0 BHADHN Cc1cocc1-c1ccc(F)c(CNC2CC2)c1 ZINC000385107322 711005581 /nfs/dbraw/zinc/00/55/81/711005581.db2.gz CEUBUZNIONQPHI-UHFFFAOYSA-N 0 3 245.297 3.646 20 0 BHADHN CC/C=C\CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000385109555 350769563 /nfs/dbraw/zinc/76/95/63/350769563.db2.gz CQZBLWKHELYWDK-LWTINBJPSA-N 0 3 225.282 3.582 20 0 BHADHN CC/C=C/CN[C@H](C)c1ccc(F)c(F)c1 ZINC000385109558 350769578 /nfs/dbraw/zinc/76/95/78/350769578.db2.gz CQZBLWKHELYWDK-ORAHPGNNSA-N 0 3 225.282 3.582 20 0 BHADHN CC/C=C\CN[C@H](C)c1ccc(F)c(F)c1 ZINC000385109560 350769784 /nfs/dbraw/zinc/76/97/84/350769784.db2.gz CQZBLWKHELYWDK-UMCURTJPSA-N 0 3 225.282 3.582 20 0 BHADHN CC/C=C/CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000385109562 350769307 /nfs/dbraw/zinc/76/93/07/350769307.db2.gz CQZBLWKHELYWDK-YEZKRMTDSA-N 0 3 225.282 3.582 20 0 BHADHN C[C@@H]1CC[C@@H]1N[C@H](c1ccco1)c1ccccc1 ZINC000385146154 367801544 /nfs/dbraw/zinc/80/15/44/367801544.db2.gz POWAVQPUECGTNX-INWMFGNUSA-N 0 3 241.334 3.757 20 0 BHADHN C[C@@H]1CC[C@@H]1N[C@@H](c1ccco1)c1ccccc1 ZINC000385146156 367801234 /nfs/dbraw/zinc/80/12/34/367801234.db2.gz POWAVQPUECGTNX-IVMMDQJWSA-N 0 3 241.334 3.757 20 0 BHADHN C[C@@H]1CC[C@H]1N[C@@H](c1ccco1)c1ccccc1 ZINC000385146158 367801606 /nfs/dbraw/zinc/80/16/06/367801606.db2.gz POWAVQPUECGTNX-XNRPHZJLSA-N 0 3 241.334 3.757 20 0 BHADHN C[C@@H]1CC[C@H]1N[C@H](c1ccco1)c1ccccc1 ZINC000385146159 367801612 /nfs/dbraw/zinc/80/16/12/367801612.db2.gz POWAVQPUECGTNX-XPKDYRNWSA-N 0 3 241.334 3.757 20 0 BHADHN CC/C=C\CNCc1ccc(C(F)F)cc1 ZINC000385160261 367803173 /nfs/dbraw/zinc/80/31/73/367803173.db2.gz LECSLNVVIXAJCS-ARJAWSKDSA-N 0 3 225.282 3.680 20 0 BHADHN CC/C=C/CNCc1ccc(C(F)F)cc1 ZINC000385160263 367803483 /nfs/dbraw/zinc/80/34/83/367803483.db2.gz LECSLNVVIXAJCS-ONEGZZNKSA-N 0 3 225.282 3.680 20 0 BHADHN C[C@H](CC(C)(C)C)N[C@H](C)c1ccc(F)cn1 ZINC000385160294 367803560 /nfs/dbraw/zinc/80/35/60/367803560.db2.gz NVEXTTOBZRBTKX-GHMZBOCLSA-N 0 3 238.350 3.696 20 0 BHADHN C[C@H](CC(C)(C)C)N[C@@H](C)c1ccc(F)cn1 ZINC000385160295 367803538 /nfs/dbraw/zinc/80/35/38/367803538.db2.gz NVEXTTOBZRBTKX-MNOVXSKESA-N 0 3 238.350 3.696 20 0 BHADHN C[C@@H](CC(C)(C)C)N[C@@H](C)c1ccc(F)cn1 ZINC000385160296 367803140 /nfs/dbraw/zinc/80/31/40/367803140.db2.gz NVEXTTOBZRBTKX-QWRGUYRKSA-N 0 3 238.350 3.696 20 0 BHADHN C[C@@H](N[C@@H](C)CC(C)(C)C)c1ccc(F)cn1 ZINC000385160298 367803710 /nfs/dbraw/zinc/80/37/10/367803710.db2.gz NVEXTTOBZRBTKX-WDEREUQCSA-N 0 3 238.350 3.696 20 0 BHADHN Cc1noc(C)c1[C@@H](C)NCCC1=CCCCC1 ZINC000385182147 398261935 /nfs/dbraw/zinc/26/19/35/398261935.db2.gz NMHDSVWTSHTXGM-LLVKDONJSA-N 0 3 248.370 3.833 20 0 BHADHN Cc1noc(C)c1[C@H](C)NCCC1=CCCCC1 ZINC000385182185 398138695 /nfs/dbraw/zinc/13/86/95/398138695.db2.gz NMHDSVWTSHTXGM-NSHDSACASA-N 0 3 248.370 3.833 20 0 BHADHN CC/C=C\CN[C@@H]1CCSc2ccccc21 ZINC000385241580 367812357 /nfs/dbraw/zinc/81/23/57/367812357.db2.gz VONPKYGHKQXBRE-ACVFHECNSA-N 0 3 233.380 3.779 20 0 BHADHN CC/C=C\CN[C@H]1CCSc2ccccc21 ZINC000385241589 367811463 /nfs/dbraw/zinc/81/14/63/367811463.db2.gz VONPKYGHKQXBRE-RJNRQISESA-N 0 3 233.380 3.779 20 0 BHADHN CC/C=C/CN[C@@H]1CCSc2ccccc21 ZINC000385242053 367811828 /nfs/dbraw/zinc/81/18/28/367811828.db2.gz VONPKYGHKQXBRE-VUUYWXRKSA-N 0 3 233.380 3.779 20 0 BHADHN CC/C=C/CN[C@H]1CCSc2ccccc21 ZINC000385242055 367812389 /nfs/dbraw/zinc/81/23/89/367812389.db2.gz VONPKYGHKQXBRE-YIALFULDSA-N 0 3 233.380 3.779 20 0 BHADHN C[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1cccc(F)c1F ZINC000385541885 367842368 /nfs/dbraw/zinc/84/23/68/367842368.db2.gz DUVHBACJHMITAX-AVWBDOJWSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1cccc(F)c1F ZINC000385541893 367842589 /nfs/dbraw/zinc/84/25/89/367842589.db2.gz DUVHBACJHMITAX-KEPMVKOISA-N 0 3 239.309 3.660 20 0 BHADHN C[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1cccc(F)c1F ZINC000385541899 367842496 /nfs/dbraw/zinc/84/24/96/367842496.db2.gz DUVHBACJHMITAX-MPXOCVNLSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1cccc(F)c1F ZINC000385541905 367842692 /nfs/dbraw/zinc/84/26/92/367842692.db2.gz DUVHBACJHMITAX-ORXSELOVSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2C[C@H](C)[C@@H]2C)o1 ZINC000385968870 362918712 /nfs/dbraw/zinc/91/87/12/362918712.db2.gz OXPCWIDYRBJDNL-GGFUIZRSSA-N 0 3 233.355 3.537 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2C[C@@H](C)[C@H]2C)o1 ZINC000385968874 362918541 /nfs/dbraw/zinc/91/85/41/362918541.db2.gz OXPCWIDYRBJDNL-KLKTVBQGSA-N 0 3 233.355 3.537 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2C[C@H](C)[C@H]2C)o1 ZINC000385968878 362918817 /nfs/dbraw/zinc/91/88/17/362918817.db2.gz OXPCWIDYRBJDNL-QPKSUZNQSA-N 0 3 233.355 3.537 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2C[C@@H](C)[C@@H]2C)o1 ZINC000385968881 362918992 /nfs/dbraw/zinc/91/89/92/362918992.db2.gz OXPCWIDYRBJDNL-SSYGJKRZSA-N 0 3 233.355 3.537 20 0 BHADHN CC(C)CCCCCCN[C@H]1CCn2ccnc21 ZINC000385993698 711478707 /nfs/dbraw/zinc/47/87/07/711478707.db2.gz QGVYLUQOEQDOCI-AWEZNQCLSA-N 0 3 249.402 3.524 20 0 BHADHN CC(C)CCCCCCN[C@@H]1CCn2ccnc21 ZINC000385993700 711478914 /nfs/dbraw/zinc/47/89/14/711478914.db2.gz QGVYLUQOEQDOCI-CQSZACIVSA-N 0 3 249.402 3.524 20 0 BHADHN C[C@H](CCC(C)(C)C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000386313455 367948072 /nfs/dbraw/zinc/94/80/72/367948072.db2.gz XGKDFSUDLIXZJK-AGIUHOORSA-N 0 3 249.402 3.693 20 0 BHADHN C[C@H](CCC(C)(C)C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000386313457 367948552 /nfs/dbraw/zinc/94/85/52/367948552.db2.gz XGKDFSUDLIXZJK-FRRDWIJNSA-N 0 3 249.402 3.693 20 0 BHADHN C[C@H](CCC(C)(C)C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000386313458 367948030 /nfs/dbraw/zinc/94/80/30/367948030.db2.gz XGKDFSUDLIXZJK-JHJVBQTASA-N 0 3 249.402 3.693 20 0 BHADHN C[C@H](CCC(C)(C)C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000386313461 367948297 /nfs/dbraw/zinc/94/82/97/367948297.db2.gz XGKDFSUDLIXZJK-UPJWGTAASA-N 0 3 249.402 3.693 20 0 BHADHN Cc1nccnc1[C@@H](C)NCC(C)(C)C(C)(C)C ZINC000386546643 367990728 /nfs/dbraw/zinc/99/07/28/367990728.db2.gz SLFPCAHQLWKXLS-GFCCVEGCSA-N 0 3 249.402 3.508 20 0 BHADHN Cc1nccnc1[C@H](C)NCC(C)(C)C(C)(C)C ZINC000386546644 367990059 /nfs/dbraw/zinc/99/00/59/367990059.db2.gz SLFPCAHQLWKXLS-LBPRGKRZSA-N 0 3 249.402 3.508 20 0 BHADHN CCOc1ccccc1CN[C@H]1CC12CCCC2 ZINC000386854168 368028544 /nfs/dbraw/zinc/02/85/44/368028544.db2.gz DIHOMDOGXNIVLY-HNNXBMFYSA-N 0 3 245.366 3.508 20 0 BHADHN CCOc1ccccc1CN[C@@H]1CC12CCCC2 ZINC000386854171 368028751 /nfs/dbraw/zinc/02/87/51/368028751.db2.gz DIHOMDOGXNIVLY-OAHLLOKOSA-N 0 3 245.366 3.508 20 0 BHADHN Clc1ccc(CN[C@@H]2CC23CCCCC3)o1 ZINC000386869298 363055215 /nfs/dbraw/zinc/05/52/15/363055215.db2.gz GTDNDGWZMJEXFF-LLVKDONJSA-N 0 3 239.746 3.745 20 0 BHADHN Clc1ccc(CN[C@H]2CC23CCCCC3)o1 ZINC000386869300 363055157 /nfs/dbraw/zinc/05/51/57/363055157.db2.gz GTDNDGWZMJEXFF-NSHDSACASA-N 0 3 239.746 3.745 20 0 BHADHN CC[C@H](N[C@@H]1CC12CCCC2)c1ccc(F)cn1 ZINC000386871253 368030113 /nfs/dbraw/zinc/03/01/13/368030113.db2.gz GZUHHHVNBSTGAX-GXTWGEPZSA-N 0 3 248.345 3.594 20 0 BHADHN CC[C@H](N[C@H]1CC12CCCC2)c1ccc(F)cn1 ZINC000386871255 368029922 /nfs/dbraw/zinc/02/99/22/368029922.db2.gz GZUHHHVNBSTGAX-JSGCOSHPSA-N 0 3 248.345 3.594 20 0 BHADHN CC[C@@H](N[C@H]1CC12CCCC2)c1ccc(F)cn1 ZINC000386871260 368030105 /nfs/dbraw/zinc/03/01/05/368030105.db2.gz GZUHHHVNBSTGAX-OCCSQVGLSA-N 0 3 248.345 3.594 20 0 BHADHN CC[C@@H](N[C@@H]1CC12CCCC2)c1ccc(F)cn1 ZINC000386871264 368029911 /nfs/dbraw/zinc/02/99/11/368029911.db2.gz GZUHHHVNBSTGAX-TZMCWYRMSA-N 0 3 248.345 3.594 20 0 BHADHN c1oc2ccccc2c1CN[C@H]1CC12CCCC2 ZINC000386890929 368031583 /nfs/dbraw/zinc/03/15/83/368031583.db2.gz KEYDWHIIMPOEAM-HNNXBMFYSA-N 0 3 241.334 3.855 20 0 BHADHN c1oc2ccccc2c1CN[C@@H]1CC12CCCC2 ZINC000386890930 368030859 /nfs/dbraw/zinc/03/08/59/368030859.db2.gz KEYDWHIIMPOEAM-OAHLLOKOSA-N 0 3 241.334 3.855 20 0 BHADHN c1cc(CN[C@@H]2CC23CCCCC3)cs1 ZINC000386899529 363058996 /nfs/dbraw/zinc/05/89/96/363058996.db2.gz LNAZSTRZZJPAMV-GFCCVEGCSA-N 0 3 221.369 3.561 20 0 BHADHN c1cc(CN[C@H]2CC23CCCCC3)cs1 ZINC000386899532 363060036 /nfs/dbraw/zinc/06/00/36/363060036.db2.gz LNAZSTRZZJPAMV-LBPRGKRZSA-N 0 3 221.369 3.561 20 0 BHADHN c1c2ccccc2oc1CN[C@H]1CC12CCCC2 ZINC000386950347 368037760 /nfs/dbraw/zinc/03/77/60/368037760.db2.gz WNGVJTMVFJECNJ-HNNXBMFYSA-N 0 3 241.334 3.855 20 0 BHADHN c1c2ccccc2oc1CN[C@@H]1CC12CCCC2 ZINC000386950348 368038184 /nfs/dbraw/zinc/03/81/84/368038184.db2.gz WNGVJTMVFJECNJ-OAHLLOKOSA-N 0 3 241.334 3.855 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CC23CCCC3)o1 ZINC000386958188 368039794 /nfs/dbraw/zinc/03/97/94/368039794.db2.gz YHLOTWMJKZPUPL-KYOSRNDESA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC23CCCC3)o1 ZINC000386958189 368039582 /nfs/dbraw/zinc/03/95/82/368039582.db2.gz YHLOTWMJKZPUPL-OSAQELSMSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CC23CCCC3)o1 ZINC000386958198 368039702 /nfs/dbraw/zinc/03/97/02/368039702.db2.gz YHLOTWMJKZPUPL-UXIGCNINSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CC23CCCC3)o1 ZINC000386958199 368039509 /nfs/dbraw/zinc/03/95/09/368039509.db2.gz YHLOTWMJKZPUPL-ZLDLUXBVSA-N 0 3 245.366 3.825 20 0 BHADHN COc1ccccc1[C@@H](C)N[C@H]1CC12CCCC2 ZINC000386963763 368039723 /nfs/dbraw/zinc/03/97/23/368039723.db2.gz ZNMKSSWIFKTIPB-DOMZBBRYSA-N 0 3 245.366 3.679 20 0 BHADHN COc1ccccc1[C@@H](C)N[C@@H]1CC12CCCC2 ZINC000386963765 368039465 /nfs/dbraw/zinc/03/94/65/368039465.db2.gz ZNMKSSWIFKTIPB-IUODEOHRSA-N 0 3 245.366 3.679 20 0 BHADHN COc1ccccc1[C@H](C)N[C@@H]1CC12CCCC2 ZINC000386963766 368039845 /nfs/dbraw/zinc/03/98/45/368039845.db2.gz ZNMKSSWIFKTIPB-SWLSCSKDSA-N 0 3 245.366 3.679 20 0 BHADHN COc1ccccc1[C@H](C)N[C@H]1CC12CCCC2 ZINC000386963768 368039263 /nfs/dbraw/zinc/03/92/63/368039263.db2.gz ZNMKSSWIFKTIPB-WFASDCNBSA-N 0 3 245.366 3.679 20 0 BHADHN c1cc2c(o1)CCC[C@@H]2N[C@@H]1CC12CCCC2 ZINC000386969891 368039659 /nfs/dbraw/zinc/03/96/59/368039659.db2.gz BHLIYWZUVNYNEV-GXTWGEPZSA-N 0 3 231.339 3.579 20 0 BHADHN c1cc2c(o1)CCC[C@@H]2N[C@H]1CC12CCCC2 ZINC000386969912 368039235 /nfs/dbraw/zinc/03/92/35/368039235.db2.gz BHLIYWZUVNYNEV-JSGCOSHPSA-N 0 3 231.339 3.579 20 0 BHADHN c1cc2c(o1)CCC[C@H]2N[C@H]1CC12CCCC2 ZINC000386969915 368039750 /nfs/dbraw/zinc/03/97/50/368039750.db2.gz BHLIYWZUVNYNEV-OCCSQVGLSA-N 0 3 231.339 3.579 20 0 BHADHN c1cc2c(o1)CCC[C@H]2N[C@@H]1CC12CCCC2 ZINC000386969919 368039786 /nfs/dbraw/zinc/03/97/86/368039786.db2.gz BHLIYWZUVNYNEV-TZMCWYRMSA-N 0 3 231.339 3.579 20 0 BHADHN C[C@@H](N[C@@H]1CC12CCCC2)c1ccccc1F ZINC000387225866 368117639 /nfs/dbraw/zinc/11/76/39/368117639.db2.gz HTLCZNADDMBSNC-BXUZGUMPSA-N 0 3 233.330 3.809 20 0 BHADHN C[C@H](N[C@H]1CC12CCCC2)c1ccccc1F ZINC000387225868 368117533 /nfs/dbraw/zinc/11/75/33/368117533.db2.gz HTLCZNADDMBSNC-FZMZJTMJSA-N 0 3 233.330 3.809 20 0 BHADHN C[C@@H](N[C@H]1CC12CCCC2)c1ccccc1F ZINC000387225873 368117493 /nfs/dbraw/zinc/11/74/93/368117493.db2.gz HTLCZNADDMBSNC-RISCZKNCSA-N 0 3 233.330 3.809 20 0 BHADHN C[C@H](N[C@@H]1CC12CCCC2)c1ccccc1F ZINC000387225875 368117372 /nfs/dbraw/zinc/11/73/72/368117372.db2.gz HTLCZNADDMBSNC-SMDDNHRTSA-N 0 3 233.330 3.809 20 0 BHADHN Cc1ccc(F)c(CN[C@H]2CC23CCCC3)c1 ZINC000387359128 368160560 /nfs/dbraw/zinc/16/05/60/368160560.db2.gz WDUWJWWLQRKLKL-AWEZNQCLSA-N 0 3 233.330 3.556 20 0 BHADHN Cc1ccc(F)c(CN[C@@H]2CC23CCCC3)c1 ZINC000387359138 368160036 /nfs/dbraw/zinc/16/00/36/368160036.db2.gz WDUWJWWLQRKLKL-CQSZACIVSA-N 0 3 233.330 3.556 20 0 BHADHN CC[C@@H](N[C@@H](C)c1nccs1)C1CCCC1 ZINC000387457417 368205076 /nfs/dbraw/zinc/20/50/76/368205076.db2.gz ADZNVSZWADOWIB-CMPLNLGQSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](N[C@@H](C)c1nccs1)C1CCCC1 ZINC000387457418 368204863 /nfs/dbraw/zinc/20/48/63/368204863.db2.gz ADZNVSZWADOWIB-JQWIXIFHSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@H](N[C@H](C)c1nccs1)C1CCCC1 ZINC000387457421 368205009 /nfs/dbraw/zinc/20/50/09/368205009.db2.gz ADZNVSZWADOWIB-PWSUYJOCSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H](N[C@H](C)c1nccs1)C1CCCC1 ZINC000387457422 368205157 /nfs/dbraw/zinc/20/51/57/368205157.db2.gz ADZNVSZWADOWIB-ZYHUDNBSSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@@H](NCc1nc(C)cs1)C1CCCC1 ZINC000387647673 346987324 /nfs/dbraw/zinc/98/73/24/346987324.db2.gz JUQOTFSZCXEISH-GFCCVEGCSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H](NCc1nc(C)cs1)C1CCCC1 ZINC000387647675 346987205 /nfs/dbraw/zinc/98/72/05/346987205.db2.gz JUQOTFSZCXEISH-LBPRGKRZSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H](NCc1ncc(C)s1)C1CCCC1 ZINC000387672739 347002470 /nfs/dbraw/zinc/00/24/70/347002470.db2.gz QGIYMWXPJZQQIZ-GFCCVEGCSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H](NCc1ncc(C)s1)C1CCCC1 ZINC000387672744 347002576 /nfs/dbraw/zinc/00/25/76/347002576.db2.gz QGIYMWXPJZQQIZ-LBPRGKRZSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H](NCc1csc(C)n1)C1CCCC1 ZINC000387698096 347025393 /nfs/dbraw/zinc/02/53/93/347025393.db2.gz WPEMNOYMUPWPDB-CYBMUJFWSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H](NCc1csc(C)n1)C1CCCC1 ZINC000387698097 347025178 /nfs/dbraw/zinc/02/51/78/347025178.db2.gz WPEMNOYMUPWPDB-ZDUSSCGKSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@H]1C[C@H]1CNCc1sccc1Cl ZINC000387847761 347109676 /nfs/dbraw/zinc/10/96/76/347109676.db2.gz RFXCIIJIAZEDCT-BDAKNGLRSA-N 0 3 229.776 3.537 20 0 BHADHN CCCN(CC)Cc1cc(Cl)cs1 ZINC000388345817 347341513 /nfs/dbraw/zinc/34/15/13/347341513.db2.gz MCHZZZIUQOHCRX-UHFFFAOYSA-N 0 3 217.765 3.633 20 0 BHADHN CC[C@H]1CCC[C@@H]1NCc1cccc(F)c1F ZINC000388597315 539015141 /nfs/dbraw/zinc/01/51/41/539015141.db2.gz OSPYOSZZLTXXIJ-GWCFXTLKSA-N 0 3 239.309 3.633 20 0 BHADHN CC[C@H]1CCC[C@H]1NCc1cccc(F)c1F ZINC000388597317 539015173 /nfs/dbraw/zinc/01/51/73/539015173.db2.gz OSPYOSZZLTXXIJ-GXFFZTMASA-N 0 3 239.309 3.633 20 0 BHADHN CC[C@@H]1CCC[C@@H]1NCc1cccc(F)c1F ZINC000388597319 539015219 /nfs/dbraw/zinc/01/52/19/539015219.db2.gz OSPYOSZZLTXXIJ-MFKMUULPSA-N 0 3 239.309 3.633 20 0 BHADHN CC[C@@H]1CCC[C@H]1NCc1cccc(F)c1F ZINC000388597320 539014892 /nfs/dbraw/zinc/01/48/92/539014892.db2.gz OSPYOSZZLTXXIJ-ZWNOBZJWSA-N 0 3 239.309 3.633 20 0 BHADHN CCC(C)(C)NCc1cscc1Cl ZINC000388617606 539015054 /nfs/dbraw/zinc/01/50/54/539015054.db2.gz BEDIAAWYVJJFEZ-UHFFFAOYSA-N 0 3 217.765 3.680 20 0 BHADHN CC[C@H](C)NCc1csc(Cl)c1Cl ZINC000388657200 350293554 /nfs/dbraw/zinc/29/35/54/350293554.db2.gz UGYHLBZBIXOIKW-LURJTMIESA-N 0 3 238.183 3.943 20 0 BHADHN CC[C@@H](C)NCc1csc(Cl)c1Cl ZINC000388657203 350293452 /nfs/dbraw/zinc/29/34/52/350293452.db2.gz UGYHLBZBIXOIKW-ZCFIWIBFSA-N 0 3 238.183 3.943 20 0 BHADHN CC(C)(C)CCNCc1sccc1Cl ZINC000388708798 346920269 /nfs/dbraw/zinc/92/02/69/346920269.db2.gz QJTYVSRVPRLGGB-UHFFFAOYSA-N 0 3 231.792 3.927 20 0 BHADHN CCC(CC)CNCc1ccsc1Cl ZINC000388883085 539015455 /nfs/dbraw/zinc/01/54/55/539015455.db2.gz JPSSUHJRYPHUFB-UHFFFAOYSA-N 0 3 231.792 3.927 20 0 BHADHN C/C=C\CN[C@@H](C)c1cc(C)sc1C ZINC000389160185 583361759 /nfs/dbraw/zinc/36/17/59/583361759.db2.gz UFRRVOANFFGNPD-OMMCCPJFSA-N 0 3 209.358 3.592 20 0 BHADHN C/C=C\CN[C@H](C)c1cc(C)sc1C ZINC000389160186 583361849 /nfs/dbraw/zinc/36/18/49/583361849.db2.gz UFRRVOANFFGNPD-WWQCOOJYSA-N 0 3 209.358 3.592 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(Cl)cc1 ZINC000389164877 350743766 /nfs/dbraw/zinc/74/37/66/350743766.db2.gz KOCQYBZOVBEWBY-UMBAGQNISA-N 0 3 209.720 3.567 20 0 BHADHN CC(C)SCCNCc1cscc1Cl ZINC000389214952 343569270 /nfs/dbraw/zinc/56/92/70/343569270.db2.gz KALBMHIBRYOPCI-UHFFFAOYSA-N 0 3 249.832 3.633 20 0 BHADHN CCC(C)(C)CNCc1cscc1Cl ZINC000389223739 539015772 /nfs/dbraw/zinc/01/57/72/539015772.db2.gz OSKLAPXOPFWEFN-UHFFFAOYSA-N 0 3 231.792 3.927 20 0 BHADHN CC(C)(C)CCNCc1ccsc1Cl ZINC000389345340 355973328 /nfs/dbraw/zinc/97/33/28/355973328.db2.gz ZRVQKSYIGGUKKK-UHFFFAOYSA-N 0 3 231.792 3.927 20 0 BHADHN C[C@H]1CC[C@H]1NCc1cccc(Cl)c1Cl ZINC000389566404 356991672 /nfs/dbraw/zinc/99/16/72/356991672.db2.gz AEPSSEHUXOGYBT-GZMMTYOYSA-N 0 3 244.165 3.882 20 0 BHADHN C[C@@H]1CC[C@@H]1NCc1cccc(Cl)c1Cl ZINC000389566405 356991578 /nfs/dbraw/zinc/99/15/78/356991578.db2.gz AEPSSEHUXOGYBT-KCJUWKMLSA-N 0 3 244.165 3.882 20 0 BHADHN C[C@H]1CC[C@@H]1NCc1cccc(Cl)c1Cl ZINC000389566406 356991873 /nfs/dbraw/zinc/99/18/73/356991873.db2.gz AEPSSEHUXOGYBT-KWQFWETISA-N 0 3 244.165 3.882 20 0 BHADHN C[C@@H]1CC[C@H]1NCc1cccc(Cl)c1Cl ZINC000389566408 352076277 /nfs/dbraw/zinc/07/62/77/352076277.db2.gz AEPSSEHUXOGYBT-LDYMZIIASA-N 0 3 244.165 3.882 20 0 BHADHN CC(C)(C)C(C)(C)NCc1ccc(Cl)o1 ZINC000389602010 357000302 /nfs/dbraw/zinc/00/03/02/357000302.db2.gz VHZFMAYJOQVMRC-UHFFFAOYSA-N 0 3 229.751 3.847 20 0 BHADHN C[C@@H]1CC[C@@H]1NCc1cc(Cl)ccc1Cl ZINC000389645322 357008459 /nfs/dbraw/zinc/00/84/59/357008459.db2.gz SMJHZINSLHTLDE-PELKAZGASA-N 0 3 244.165 3.882 20 0 BHADHN C[C@@H]1CC[C@H]1NCc1cc(Cl)ccc1Cl ZINC000389645323 357009023 /nfs/dbraw/zinc/00/90/23/357009023.db2.gz SMJHZINSLHTLDE-PRHODGIISA-N 0 3 244.165 3.882 20 0 BHADHN C[C@H]1CC[C@H]1NCc1cc(Cl)ccc1Cl ZINC000389645324 357008523 /nfs/dbraw/zinc/00/85/23/357008523.db2.gz SMJHZINSLHTLDE-QPUJVOFHSA-N 0 3 244.165 3.882 20 0 BHADHN C[C@H]1CC[C@@H]1NCc1cc(Cl)ccc1Cl ZINC000389645325 357008879 /nfs/dbraw/zinc/00/88/79/357008879.db2.gz SMJHZINSLHTLDE-UFBFGSQYSA-N 0 3 244.165 3.882 20 0 BHADHN CCC1(NCc2nc(C)cs2)CCCCC1 ZINC000389672617 357012572 /nfs/dbraw/zinc/01/25/72/357012572.db2.gz WYCXIHCVCWBOQG-UHFFFAOYSA-N 0 3 238.400 3.654 20 0 BHADHN CCC1(NCc2csc(C)n2)CCCCC1 ZINC000389757433 357026806 /nfs/dbraw/zinc/02/68/06/357026806.db2.gz OFAQNZYHQHLWKL-UHFFFAOYSA-N 0 3 238.400 3.654 20 0 BHADHN C[C@@H](NCC1CCCCCC1)c1cscn1 ZINC000389772374 359970247 /nfs/dbraw/zinc/97/02/47/359970247.db2.gz TZGYYJHNTPEZAB-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN C[C@H](NCC1CCCCCC1)c1cscn1 ZINC000389772375 487602914 /nfs/dbraw/zinc/60/29/14/487602914.db2.gz TZGYYJHNTPEZAB-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN Cc1cc([C@@H](C)NCCC(C)C)oc1C ZINC000389839184 357052629 /nfs/dbraw/zinc/05/26/29/357052629.db2.gz HMAZQZFZNOYSOT-LLVKDONJSA-N 0 3 209.333 3.593 20 0 BHADHN Cc1cc([C@H](C)NCCC(C)C)oc1C ZINC000389839196 357053315 /nfs/dbraw/zinc/05/33/15/357053315.db2.gz HMAZQZFZNOYSOT-NSHDSACASA-N 0 3 209.333 3.593 20 0 BHADHN CCCCCN[C@H](C)c1cc(C)c(C)o1 ZINC000389856531 357056092 /nfs/dbraw/zinc/05/60/92/357056092.db2.gz BCCVTYZONGZBNS-LLVKDONJSA-N 0 3 209.333 3.737 20 0 BHADHN CCCCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000389856532 357056169 /nfs/dbraw/zinc/05/61/69/357056169.db2.gz BCCVTYZONGZBNS-NSHDSACASA-N 0 3 209.333 3.737 20 0 BHADHN CC(C)C[C@H](C)CNCc1ccc(Cl)o1 ZINC000389856617 539018018 /nfs/dbraw/zinc/01/80/18/539018018.db2.gz BEOYTYAVVNPVRZ-JTQLQIEISA-N 0 3 229.751 3.705 20 0 BHADHN CC(C)C[C@@H](C)CNCc1ccc(Cl)o1 ZINC000389856618 539018046 /nfs/dbraw/zinc/01/80/46/539018046.db2.gz BEOYTYAVVNPVRZ-SNVBAGLBSA-N 0 3 229.751 3.705 20 0 BHADHN Cc1cc(C)nc(NCCC(C)(C)C)c1 ZINC000389878133 357058251 /nfs/dbraw/zinc/05/82/51/357058251.db2.gz MSIDDGHOJCQZSA-UHFFFAOYSA-N 0 3 206.333 3.547 20 0 BHADHN Clc1sccc1CNC(C1CC1)C1CC1 ZINC000389883861 357059359 /nfs/dbraw/zinc/05/93/59/357059359.db2.gz PZBCNGFNARBPMA-UHFFFAOYSA-N 0 3 241.787 3.680 20 0 BHADHN CC[C@H](N[C@@H]1CSC1(C)C)c1cccs1 ZINC000389883882 357059780 /nfs/dbraw/zinc/05/97/80/357059780.db2.gz QAFXVVVDGQHDMI-GXSJLCMTSA-N 0 3 241.425 3.683 20 0 BHADHN CC[C@@H](N[C@H]1CSC1(C)C)c1cccs1 ZINC000389883883 357059471 /nfs/dbraw/zinc/05/94/71/357059471.db2.gz QAFXVVVDGQHDMI-KOLCDFICSA-N 0 3 241.425 3.683 20 0 BHADHN CC[C@@H](N[C@@H]1CSC1(C)C)c1cccs1 ZINC000389883884 357059770 /nfs/dbraw/zinc/05/97/70/357059770.db2.gz QAFXVVVDGQHDMI-MWLCHTKSSA-N 0 3 241.425 3.683 20 0 BHADHN CC[C@H](N[C@H]1CSC1(C)C)c1cccs1 ZINC000389883885 357059288 /nfs/dbraw/zinc/05/92/88/357059288.db2.gz QAFXVVVDGQHDMI-ONGXEEELSA-N 0 3 241.425 3.683 20 0 BHADHN Fc1ccc(CNCC2CC2)c(Cl)c1Cl ZINC000389886257 357059583 /nfs/dbraw/zinc/05/95/83/357059583.db2.gz RQWUYLOWZMBUOH-UHFFFAOYSA-N 0 3 248.128 3.632 20 0 BHADHN Clc1ccsc1CN[C@@H]1CC12CCCC2 ZINC000389887155 357059042 /nfs/dbraw/zinc/05/90/42/357059042.db2.gz SKFPFNYFDYRMSB-LLVKDONJSA-N 0 3 241.787 3.824 20 0 BHADHN Clc1ccsc1CN[C@H]1CC12CCCC2 ZINC000389887156 352639083 /nfs/dbraw/zinc/63/90/83/352639083.db2.gz SKFPFNYFDYRMSB-NSHDSACASA-N 0 3 241.787 3.824 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1ccc(Cl)cn1 ZINC000389920792 538008858 /nfs/dbraw/zinc/00/88/58/538008858.db2.gz QZFMKNSXHMPPBA-NXEZZACHSA-N 0 3 226.751 3.574 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1ccc(Cl)cn1 ZINC000389920793 538008966 /nfs/dbraw/zinc/00/89/66/538008966.db2.gz QZFMKNSXHMPPBA-UWVGGRQHSA-N 0 3 226.751 3.574 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1ccc(Cl)cn1 ZINC000389920795 538008879 /nfs/dbraw/zinc/00/88/79/538008879.db2.gz QZFMKNSXHMPPBA-VHSXEESVSA-N 0 3 226.751 3.574 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1ccc(Cl)cn1 ZINC000389920797 537919778 /nfs/dbraw/zinc/91/97/78/537919778.db2.gz QZFMKNSXHMPPBA-ZJUUUORDSA-N 0 3 226.751 3.574 20 0 BHADHN CC(C)=CCN[C@H](C)c1cc(C)c(C)o1 ZINC000389923366 357068605 /nfs/dbraw/zinc/06/86/05/357068605.db2.gz UDBLBLUTGMGOKS-LLVKDONJSA-N 0 3 207.317 3.513 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cc(C)c(C)o1 ZINC000389923370 357068522 /nfs/dbraw/zinc/06/85/22/357068522.db2.gz UDBLBLUTGMGOKS-NSHDSACASA-N 0 3 207.317 3.513 20 0 BHADHN CCC(CC)[C@@H](NCCF)c1cccs1 ZINC000389935021 357071137 /nfs/dbraw/zinc/07/11/37/357071137.db2.gz MQIFFFWDXMUKIV-GFCCVEGCSA-N 0 3 229.364 3.785 20 0 BHADHN CCC(CC)[C@H](NCCF)c1cccs1 ZINC000389935025 357071091 /nfs/dbraw/zinc/07/10/91/357071091.db2.gz MQIFFFWDXMUKIV-LBPRGKRZSA-N 0 3 229.364 3.785 20 0 BHADHN C/C=C\CN[C@H](C)c1cc(C)ccc1C ZINC000389963452 371183664 /nfs/dbraw/zinc/18/36/64/371183664.db2.gz WPDZTTWLYGHCCC-CFHLNLSMSA-N 0 3 203.329 3.530 20 0 BHADHN C/C=C/CN[C@H](C)c1cc(C)ccc1C ZINC000389963453 371183476 /nfs/dbraw/zinc/18/34/76/371183476.db2.gz WPDZTTWLYGHCCC-URWSZGRFSA-N 0 3 203.329 3.530 20 0 BHADHN Cc1cc([C@H](C)NCC(C)(C)C)oc1C ZINC000389968592 357073700 /nfs/dbraw/zinc/07/37/00/357073700.db2.gz YPCSZUUTYCLURY-JTQLQIEISA-N 0 3 209.333 3.593 20 0 BHADHN Cc1cc([C@@H](C)NCC(C)(C)C)oc1C ZINC000389968594 357073920 /nfs/dbraw/zinc/07/39/20/357073920.db2.gz YPCSZUUTYCLURY-SNVBAGLBSA-N 0 3 209.333 3.593 20 0 BHADHN CC(C)Cc1cccc([C@@H](C)NCCF)c1 ZINC000390130313 347256381 /nfs/dbraw/zinc/25/63/81/347256381.db2.gz JMZNDZFXQVDIHH-GFCCVEGCSA-N 0 3 223.335 3.505 20 0 BHADHN CC(C)Cc1cccc([C@H](C)NCCF)c1 ZINC000390130314 347256467 /nfs/dbraw/zinc/25/64/67/347256467.db2.gz JMZNDZFXQVDIHH-LBPRGKRZSA-N 0 3 223.335 3.505 20 0 BHADHN C[C@H](CCNCc1nccs1)CC(C)(C)C ZINC000390136712 539019828 /nfs/dbraw/zinc/01/98/28/539019828.db2.gz MHOLGUAWGKSIIJ-LLVKDONJSA-N 0 3 240.416 3.695 20 0 BHADHN C[C@@H](CCNCc1nccs1)CC(C)(C)C ZINC000390136713 539019878 /nfs/dbraw/zinc/01/98/78/539019878.db2.gz MHOLGUAWGKSIIJ-NSHDSACASA-N 0 3 240.416 3.695 20 0 BHADHN FC1(F)CC[C@@H](NCc2cccc(Cl)c2)C1 ZINC000390139349 537788730 /nfs/dbraw/zinc/78/87/30/537788730.db2.gz NRWPMXVZPHQJHV-LLVKDONJSA-N 0 3 245.700 3.617 20 0 BHADHN FC1(F)CC[C@H](NCc2cccc(Cl)c2)C1 ZINC000390139350 539020139 /nfs/dbraw/zinc/02/01/39/539020139.db2.gz NRWPMXVZPHQJHV-NSHDSACASA-N 0 3 245.700 3.617 20 0 BHADHN CC(C)=CCCNCc1cc(C)ccc1F ZINC000390141414 259381072 /nfs/dbraw/zinc/38/10/72/259381072.db2.gz OVKQLHWDLIATQF-UHFFFAOYSA-N 0 3 221.319 3.580 20 0 BHADHN CC(C)c1cnc(CNC(C)(C)C2CC2)s1 ZINC000390195419 357084596 /nfs/dbraw/zinc/08/45/96/357084596.db2.gz PAJFQVDXFFMVSG-UHFFFAOYSA-N 0 3 238.400 3.545 20 0 BHADHN Cc1ccc(F)c(CNCCCC(C)(F)F)c1 ZINC000390208213 259382526 /nfs/dbraw/zinc/38/25/26/259382526.db2.gz TXOWKTCSXKFLQQ-UHFFFAOYSA-N 0 3 245.288 3.659 20 0 BHADHN C[C@@H](CNC(C)(C)CF)c1cccc(Cl)c1 ZINC000390214463 259382680 /nfs/dbraw/zinc/38/26/80/259382680.db2.gz WQRILXVPEYFNCO-JTQLQIEISA-N 0 3 243.753 3.781 20 0 BHADHN C[C@H](CNC(C)(C)CF)c1cccc(Cl)c1 ZINC000390214464 259382642 /nfs/dbraw/zinc/38/26/42/259382642.db2.gz WQRILXVPEYFNCO-SNVBAGLBSA-N 0 3 243.753 3.781 20 0 BHADHN c1cc(CNCCC2CCCCCC2)co1 ZINC000390241529 259383818 /nfs/dbraw/zinc/38/38/18/259383818.db2.gz HTRZPHYBWQYQDV-UHFFFAOYSA-N 0 3 221.344 3.730 20 0 BHADHN CC(C)(C)c1ccc(CNC(C)(C)CF)s1 ZINC000390279531 259384634 /nfs/dbraw/zinc/38/46/34/259384634.db2.gz UTRGUUGRTBXYCU-UHFFFAOYSA-N 0 3 243.391 3.883 20 0 BHADHN CC(C)=CCN[C@H]1CCc2ccc(Cl)cc21 ZINC000390339369 323152687 /nfs/dbraw/zinc/15/26/87/323152687.db2.gz MLHOHTCDDSKKRV-AWEZNQCLSA-N 0 3 235.758 3.883 20 0 BHADHN CC(C)=CCN[C@@H]1CCc2ccc(Cl)cc21 ZINC000390339375 259386266 /nfs/dbraw/zinc/38/62/66/259386266.db2.gz MLHOHTCDDSKKRV-CQSZACIVSA-N 0 3 235.758 3.883 20 0 BHADHN CC1(C)CC(NCc2ccc(Cl)cc2F)C1 ZINC000390413406 259387710 /nfs/dbraw/zinc/38/77/10/259387710.db2.gz FZWMGCVJNCDZQB-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN CSc1cccc(F)c1CNCC(C)(C)C ZINC000390421701 259388381 /nfs/dbraw/zinc/38/83/81/259388381.db2.gz KCEXBCZQNAWLDR-UHFFFAOYSA-N 0 3 241.375 3.683 20 0 BHADHN Cc1ccccc1[C@@H](NCCF)C(C)(C)C ZINC000390427900 259388261 /nfs/dbraw/zinc/38/82/61/259388261.db2.gz NJFMOYIRJWDDQG-CYBMUJFWSA-N 0 3 223.335 3.641 20 0 BHADHN Cc1ccccc1[C@H](NCCF)C(C)(C)C ZINC000390427908 259388179 /nfs/dbraw/zinc/38/81/79/259388179.db2.gz NJFMOYIRJWDDQG-ZDUSSCGKSA-N 0 3 223.335 3.641 20 0 BHADHN Cc1cc(CNC2CC(F)(F)C2)ccc1Cl ZINC000390449706 259389085 /nfs/dbraw/zinc/38/90/85/259389085.db2.gz YZUJKRGSFBBTQK-UHFFFAOYSA-N 0 3 245.700 3.536 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cccc(C)c1C ZINC000390449750 259389194 /nfs/dbraw/zinc/38/91/94/259389194.db2.gz ZCENQCQHSBONGR-AWEZNQCLSA-N 0 3 217.356 3.920 20 0 BHADHN CC(C)=CCN[C@H](C)c1cccc(C)c1C ZINC000390449751 259389191 /nfs/dbraw/zinc/38/91/91/259389191.db2.gz ZCENQCQHSBONGR-CQSZACIVSA-N 0 3 217.356 3.920 20 0 BHADHN C[C@H]1CC(C)(C)C[C@H]1NCc1ccc(Cl)o1 ZINC000390462928 539022060 /nfs/dbraw/zinc/02/20/60/539022060.db2.gz GPXKWONLKOAILC-GXSJLCMTSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@@H]1CC(C)(C)C[C@@H]1NCc1ccc(Cl)o1 ZINC000390462929 539022339 /nfs/dbraw/zinc/02/23/39/539022339.db2.gz GPXKWONLKOAILC-KOLCDFICSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@@H]1CC(C)(C)C[C@H]1NCc1ccc(Cl)o1 ZINC000390462931 539022186 /nfs/dbraw/zinc/02/21/86/539022186.db2.gz GPXKWONLKOAILC-MWLCHTKSSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@H]1CC(C)(C)C[C@@H]1NCc1ccc(Cl)o1 ZINC000390462937 539022199 /nfs/dbraw/zinc/02/21/99/539022199.db2.gz GPXKWONLKOAILC-ONGXEEELSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@@H](NCCC1CC1)c1c(F)cccc1Cl ZINC000390464407 259389804 /nfs/dbraw/zinc/38/98/04/259389804.db2.gz FCRPEYLRKRCFON-SECBINFHSA-N 0 3 241.737 3.930 20 0 BHADHN C[C@H](NCCC1CC1)c1c(F)cccc1Cl ZINC000390464408 259389838 /nfs/dbraw/zinc/38/98/38/259389838.db2.gz FCRPEYLRKRCFON-VIFPVBQESA-N 0 3 241.737 3.930 20 0 BHADHN C[C@@H]1CCCC[C@@H]1CCNCc1ccco1 ZINC000390480038 259390138 /nfs/dbraw/zinc/39/01/38/259390138.db2.gz MKUAHWWHPYOQPR-CHWSQXEVSA-N 0 3 221.344 3.586 20 0 BHADHN C[C@@H]1CCCC[C@H]1CCNCc1ccco1 ZINC000390480039 259390062 /nfs/dbraw/zinc/39/00/62/259390062.db2.gz MKUAHWWHPYOQPR-OLZOCXBDSA-N 0 3 221.344 3.586 20 0 BHADHN C[C@H]1CCCC[C@@H]1CCNCc1ccco1 ZINC000390480040 259390428 /nfs/dbraw/zinc/39/04/28/259390428.db2.gz MKUAHWWHPYOQPR-QWHCGFSZSA-N 0 3 221.344 3.586 20 0 BHADHN C[C@H]1CCCC[C@H]1CCNCc1ccco1 ZINC000390480041 259390273 /nfs/dbraw/zinc/39/02/73/259390273.db2.gz MKUAHWWHPYOQPR-STQMWFEESA-N 0 3 221.344 3.586 20 0 BHADHN C[C@@H](NCCF)c1ccccc1C(C)(C)C ZINC000390510029 323084568 /nfs/dbraw/zinc/08/45/68/323084568.db2.gz ZCQDVBRQMHPORA-LLVKDONJSA-N 0 3 223.335 3.604 20 0 BHADHN C[C@H](NCCF)c1ccccc1C(C)(C)C ZINC000390510031 323084580 /nfs/dbraw/zinc/08/45/80/323084580.db2.gz ZCQDVBRQMHPORA-NSHDSACASA-N 0 3 223.335 3.604 20 0 BHADHN Cc1csc([C@@H](C)NCC2(C)CCCC2)n1 ZINC000390511459 371210516 /nfs/dbraw/zinc/21/05/16/371210516.db2.gz APHROXPXOOORLM-LLVKDONJSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1csc([C@H](C)NCC2(C)CCCC2)n1 ZINC000390511461 371210405 /nfs/dbraw/zinc/21/04/05/371210405.db2.gz APHROXPXOOORLM-NSHDSACASA-N 0 3 238.400 3.682 20 0 BHADHN C[C@H](NC[C@H]1CCCCC1(F)F)c1ccoc1 ZINC000390537804 357101782 /nfs/dbraw/zinc/10/17/82/357101782.db2.gz GNZNLPQFWRLKRJ-CMPLNLGQSA-N 0 3 243.297 3.756 20 0 BHADHN C[C@H](NC[C@@H]1CCCCC1(F)F)c1ccoc1 ZINC000390537805 357101537 /nfs/dbraw/zinc/10/15/37/357101537.db2.gz GNZNLPQFWRLKRJ-JQWIXIFHSA-N 0 3 243.297 3.756 20 0 BHADHN C[C@@H](NC[C@@H]1CCCCC1(F)F)c1ccoc1 ZINC000390537806 357101356 /nfs/dbraw/zinc/10/13/56/357101356.db2.gz GNZNLPQFWRLKRJ-PWSUYJOCSA-N 0 3 243.297 3.756 20 0 BHADHN C[C@@H](NC[C@H]1CCCCC1(F)F)c1ccoc1 ZINC000390537807 357101159 /nfs/dbraw/zinc/10/11/59/357101159.db2.gz GNZNLPQFWRLKRJ-ZYHUDNBSSA-N 0 3 243.297 3.756 20 0 BHADHN C[C@H](NC/C=C/Cl)c1ccc2c(c1)CCC2 ZINC000390552401 711125724 /nfs/dbraw/zinc/12/57/24/711125724.db2.gz PEWLCGFDFBTEOS-AEBAWRHJSA-N 0 3 235.758 3.578 20 0 BHADHN C[C@H](NC/C=C\Cl)c1ccc2c(c1)CCC2 ZINC000390552402 711125750 /nfs/dbraw/zinc/12/57/50/711125750.db2.gz PEWLCGFDFBTEOS-DZHRUPLWSA-N 0 3 235.758 3.578 20 0 BHADHN C[C@@H](NC/C=C/Cl)c1ccc2c(c1)CCC2 ZINC000390552403 711124969 /nfs/dbraw/zinc/12/49/69/711124969.db2.gz PEWLCGFDFBTEOS-TXGYYHNKSA-N 0 3 235.758 3.578 20 0 BHADHN C[C@@H](NC/C=C\Cl)c1ccc2c(c1)CCC2 ZINC000390552404 711125610 /nfs/dbraw/zinc/12/56/10/711125610.db2.gz PEWLCGFDFBTEOS-UVYAAXSVSA-N 0 3 235.758 3.578 20 0 BHADHN CC1=CC[C@@H](NCc2ccccc2Cl)CC1 ZINC000390553821 357104068 /nfs/dbraw/zinc/10/40/68/357104068.db2.gz PRMOYVJMKKKHPZ-CYBMUJFWSA-N 0 3 235.758 3.928 20 0 BHADHN CC1=CC[C@H](NCc2ccccc2Cl)CC1 ZINC000390553823 357103861 /nfs/dbraw/zinc/10/38/61/357103861.db2.gz PRMOYVJMKKKHPZ-ZDUSSCGKSA-N 0 3 235.758 3.928 20 0 BHADHN CCCC[C@@H](CC)CCNCc1nccs1 ZINC000390556835 539026257 /nfs/dbraw/zinc/02/62/57/539026257.db2.gz QQXUMLYTOJBSIZ-GFCCVEGCSA-N 0 3 240.416 3.839 20 0 BHADHN CCCC[C@H](CC)CCNCc1nccs1 ZINC000390556836 539026401 /nfs/dbraw/zinc/02/64/01/539026401.db2.gz QQXUMLYTOJBSIZ-LBPRGKRZSA-N 0 3 240.416 3.839 20 0 BHADHN CCCCCN[C@](C)(CC)c1nc(C)cs1 ZINC000390604563 259395002 /nfs/dbraw/zinc/39/50/02/259395002.db2.gz CDNCPQXUGQWBPE-CYBMUJFWSA-N 0 3 240.416 3.857 20 0 BHADHN CCCCCN[C@@](C)(CC)c1nc(C)cs1 ZINC000390604564 259395290 /nfs/dbraw/zinc/39/52/90/259395290.db2.gz CDNCPQXUGQWBPE-ZDUSSCGKSA-N 0 3 240.416 3.857 20 0 BHADHN CC[C@H](C)[C@H](NCCF)c1ccc(Cl)cc1 ZINC000390620002 259395836 /nfs/dbraw/zinc/39/58/36/259395836.db2.gz IFLHKYPRBZUZBQ-GWCFXTLKSA-N 0 3 243.753 3.986 20 0 BHADHN CC[C@H](C)[C@@H](NCCF)c1ccc(Cl)cc1 ZINC000390620003 259395562 /nfs/dbraw/zinc/39/55/62/259395562.db2.gz IFLHKYPRBZUZBQ-GXFFZTMASA-N 0 3 243.753 3.986 20 0 BHADHN CC[C@@H](C)[C@H](NCCF)c1ccc(Cl)cc1 ZINC000390620004 259395617 /nfs/dbraw/zinc/39/56/17/259395617.db2.gz IFLHKYPRBZUZBQ-MFKMUULPSA-N 0 3 243.753 3.986 20 0 BHADHN CC[C@@H](C)[C@@H](NCCF)c1ccc(Cl)cc1 ZINC000390620005 259395931 /nfs/dbraw/zinc/39/59/31/259395931.db2.gz IFLHKYPRBZUZBQ-ZWNOBZJWSA-N 0 3 243.753 3.986 20 0 BHADHN C[C@H](CC1CCCCC1)NCc1nccs1 ZINC000390641310 539026801 /nfs/dbraw/zinc/02/68/01/539026801.db2.gz NADUGTUZOBQKII-LLVKDONJSA-N 0 3 238.400 3.592 20 0 BHADHN C[C@@H](CC1CCCCC1)NCc1nccs1 ZINC000390641311 539026784 /nfs/dbraw/zinc/02/67/84/539026784.db2.gz NADUGTUZOBQKII-NSHDSACASA-N 0 3 238.400 3.592 20 0 BHADHN CC[C@@H](C)CNCc1cc(F)c(Cl)cc1F ZINC000390747345 259399685 /nfs/dbraw/zinc/39/96/85/259399685.db2.gz ALIOZYDQXHRBES-MRVPVSSYSA-N 0 3 247.716 3.754 20 0 BHADHN CC[C@H](C)CNCc1cc(F)c(Cl)cc1F ZINC000390747347 259399320 /nfs/dbraw/zinc/39/93/20/259399320.db2.gz ALIOZYDQXHRBES-QMMMGPOBSA-N 0 3 247.716 3.754 20 0 BHADHN CC[C@H](C[C@@H](C)CC)N[C@H](C)c1ccon1 ZINC000390752514 259399983 /nfs/dbraw/zinc/39/99/83/259399983.db2.gz DSIYVSDHLLXKJA-QJPTWQEYSA-N 0 3 224.348 3.540 20 0 BHADHN CC[C@H](C[C@@H](C)CC)N[C@@H](C)c1ccon1 ZINC000390752515 385470225 /nfs/dbraw/zinc/47/02/25/385470225.db2.gz DSIYVSDHLLXKJA-SDDRHHMPSA-N 0 3 224.348 3.540 20 0 BHADHN CC[C@H](C)C[C@H](CC)N[C@@H](C)c1ccon1 ZINC000390752516 385469054 /nfs/dbraw/zinc/46/90/54/385469054.db2.gz DSIYVSDHLLXKJA-SRVKXCTJSA-N 0 3 224.348 3.540 20 0 BHADHN CC[C@H](C)C[C@H](CC)N[C@H](C)c1ccon1 ZINC000390752517 385470238 /nfs/dbraw/zinc/47/02/38/385470238.db2.gz DSIYVSDHLLXKJA-TUAOUCFPSA-N 0 3 224.348 3.540 20 0 BHADHN CCCC[C@H](C)[C@@H](C)NCc1ncc(C)s1 ZINC000390756066 357115180 /nfs/dbraw/zinc/11/51/80/357115180.db2.gz HRDYMJRJSGMSRQ-CMPLNLGQSA-N 0 3 240.416 3.756 20 0 BHADHN CCCC[C@H](C)[C@H](C)NCc1ncc(C)s1 ZINC000390756067 357114902 /nfs/dbraw/zinc/11/49/02/357114902.db2.gz HRDYMJRJSGMSRQ-JQWIXIFHSA-N 0 3 240.416 3.756 20 0 BHADHN CCCC[C@@H](C)[C@H](C)NCc1ncc(C)s1 ZINC000390756068 357115059 /nfs/dbraw/zinc/11/50/59/357115059.db2.gz HRDYMJRJSGMSRQ-PWSUYJOCSA-N 0 3 240.416 3.756 20 0 BHADHN CCCC[C@@H](C)[C@@H](C)NCc1ncc(C)s1 ZINC000390756069 357114966 /nfs/dbraw/zinc/11/49/66/357114966.db2.gz HRDYMJRJSGMSRQ-ZYHUDNBSSA-N 0 3 240.416 3.756 20 0 BHADHN CC[C@H]1CC[C@H](NCc2nc(C)cs2)CC1 ZINC000390762693 385555072 /nfs/dbraw/zinc/55/50/72/385555072.db2.gz NULNYYWQKASZOV-HAQNSBGRSA-N 0 3 238.400 3.510 20 0 BHADHN CCC1(CNCc2nccs2)CCCCC1 ZINC000390765942 539027196 /nfs/dbraw/zinc/02/71/96/539027196.db2.gz QPHLUMUELTZSNW-UHFFFAOYSA-N 0 3 238.400 3.593 20 0 BHADHN Fc1cc(Cl)ccc1CNC1(C2CC2)CC1 ZINC000390788892 357116369 /nfs/dbraw/zinc/11/63/69/357116369.db2.gz AQMIYPJICMVWGI-UHFFFAOYSA-N 0 3 239.721 3.511 20 0 BHADHN CCC1CC(NCc2c(F)cccc2Cl)C1 ZINC000390791359 385903038 /nfs/dbraw/zinc/90/30/38/385903038.db2.gz CFGPKPRXKUJJAZ-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN CCC(CC)N[C@@H]1COc2c1cccc2Cl ZINC000390798287 539027494 /nfs/dbraw/zinc/02/74/94/539027494.db2.gz VDTHYHVNKRCUOF-GFCCVEGCSA-N 0 3 239.746 3.552 20 0 BHADHN CCC(CC)N[C@H]1COc2c1cccc2Cl ZINC000390798288 539027431 /nfs/dbraw/zinc/02/74/31/539027431.db2.gz VDTHYHVNKRCUOF-LBPRGKRZSA-N 0 3 239.746 3.552 20 0 BHADHN CCCCCNCc1ncc(C(C)(C)C)s1 ZINC000390799915 398101464 /nfs/dbraw/zinc/10/14/64/398101464.db2.gz XIPPPFNAHBBQNB-UHFFFAOYSA-N 0 3 240.416 3.720 20 0 BHADHN Fc1ccc(C2(NC/C=C\Cl)CCC2)cc1 ZINC000390815645 712427787 /nfs/dbraw/zinc/42/77/87/712427787.db2.gz JVMYZWFVGBTUDZ-MBXJOHMKSA-N 0 3 239.721 3.547 20 0 BHADHN Fc1ccc(C2(NC/C=C/Cl)CCC2)cc1 ZINC000390815646 712427720 /nfs/dbraw/zinc/42/77/20/712427720.db2.gz JVMYZWFVGBTUDZ-XNWCZRBMSA-N 0 3 239.721 3.547 20 0 BHADHN CCc1ccc([C@@H](C)NC[C@H](F)CC)cc1 ZINC000390816859 385921477 /nfs/dbraw/zinc/92/14/77/385921477.db2.gz MWHBWZVOOUVRKD-BXUZGUMPSA-N 0 3 223.335 3.648 20 0 BHADHN CCc1ccc([C@@H](C)NC[C@@H](F)CC)cc1 ZINC000390816860 385922918 /nfs/dbraw/zinc/92/29/18/385922918.db2.gz MWHBWZVOOUVRKD-RISCZKNCSA-N 0 3 223.335 3.648 20 0 BHADHN Cc1cc([C@@H](C)NCc2ccnc(C)c2)cs1 ZINC000391133703 386442906 /nfs/dbraw/zinc/44/29/06/386442906.db2.gz DSNCVXCJGPGYND-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc([C@H](C)NCc2ccnc(C)c2)cs1 ZINC000391133705 386445014 /nfs/dbraw/zinc/44/50/14/386445014.db2.gz DSNCVXCJGPGYND-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC[C@H](NCc1ccnc(C)c1)c1ccsc1 ZINC000391153792 386464288 /nfs/dbraw/zinc/46/42/88/386464288.db2.gz PYKRIPMSSPFBHT-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1ccnc(C)c1)c1ccsc1 ZINC000391153794 386464006 /nfs/dbraw/zinc/46/40/06/386464006.db2.gz PYKRIPMSSPFBHT-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN CC(C)CC(C)(C)CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000391156751 386458605 /nfs/dbraw/zinc/45/86/05/386458605.db2.gz RMXYPBNNSVZGOE-CHWSQXEVSA-N 0 3 249.402 3.551 20 0 BHADHN CC(C)CC(C)(C)CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000391156752 386457855 /nfs/dbraw/zinc/45/78/55/386457855.db2.gz RMXYPBNNSVZGOE-OLZOCXBDSA-N 0 3 249.402 3.551 20 0 BHADHN CC(C)CC(C)(C)CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000391156753 386457952 /nfs/dbraw/zinc/45/79/52/386457952.db2.gz RMXYPBNNSVZGOE-QWHCGFSZSA-N 0 3 249.402 3.551 20 0 BHADHN CC(C)CC(C)(C)CN[C@H]1C[C@H](C)n2ccnc21 ZINC000391156754 386457405 /nfs/dbraw/zinc/45/74/05/386457405.db2.gz RMXYPBNNSVZGOE-STQMWFEESA-N 0 3 249.402 3.551 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccnc(C)c2)cc1 ZINC000391157271 386458291 /nfs/dbraw/zinc/45/82/91/386458291.db2.gz ACOGFNNWXSTAAU-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccnc(C)c2)cc1 ZINC000391157286 259420262 /nfs/dbraw/zinc/42/02/62/259420262.db2.gz ACOGFNNWXSTAAU-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccsc1[C@@H](C)NCc1ccnc(C)c1 ZINC000391197500 386479562 /nfs/dbraw/zinc/47/95/62/386479562.db2.gz NBPWAFYVYYTNHN-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccsc1[C@H](C)NCc1ccnc(C)c1 ZINC000391197502 386479974 /nfs/dbraw/zinc/47/99/74/386479974.db2.gz NBPWAFYVYYTNHN-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC[C@@H](NCc1ccnc(C)c1)c1cccs1 ZINC000391199740 259421324 /nfs/dbraw/zinc/42/13/24/259421324.db2.gz POVBUBZDHLEHCF-CYBMUJFWSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@H](NCc1ccnc(C)c1)c1cccs1 ZINC000391199742 386481939 /nfs/dbraw/zinc/48/19/39/386481939.db2.gz POVBUBZDHLEHCF-ZDUSSCGKSA-N 0 3 246.379 3.692 20 0 BHADHN CCC(CC)(CC)CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000391201612 517536719 /nfs/dbraw/zinc/53/67/19/517536719.db2.gz ORRFHOVAOULCBC-CHWSQXEVSA-N 0 3 249.402 3.695 20 0 BHADHN CCC(CC)(CC)CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000391201614 386479935 /nfs/dbraw/zinc/47/99/35/386479935.db2.gz ORRFHOVAOULCBC-OLZOCXBDSA-N 0 3 249.402 3.695 20 0 BHADHN CCC(CC)(CC)CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000391201617 386479216 /nfs/dbraw/zinc/47/92/16/386479216.db2.gz ORRFHOVAOULCBC-QWHCGFSZSA-N 0 3 249.402 3.695 20 0 BHADHN CCC(CC)(CC)CN[C@H]1C[C@H](C)n2ccnc21 ZINC000391201620 386479513 /nfs/dbraw/zinc/47/95/13/386479513.db2.gz ORRFHOVAOULCBC-STQMWFEESA-N 0 3 249.402 3.695 20 0 BHADHN Cc1cc(CN[C@@H](C)c2ccccc2C)ccn1 ZINC000391207639 386482180 /nfs/dbraw/zinc/48/21/80/386482180.db2.gz QVONNQOUZJBLKV-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cc(CN[C@H](C)c2ccccc2C)ccn1 ZINC000391207641 386481712 /nfs/dbraw/zinc/48/17/12/386481712.db2.gz QVONNQOUZJBLKV-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccnc(C)c2)s1 ZINC000391210557 386483581 /nfs/dbraw/zinc/48/35/81/386483581.db2.gz VQRKXTPLFWQXCA-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccnc(C)c2)s1 ZINC000391210560 386483775 /nfs/dbraw/zinc/48/37/75/386483775.db2.gz VQRKXTPLFWQXCA-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC[C@H](NCc1ccnc(C)c1)c1ccccc1 ZINC000391219832 386485918 /nfs/dbraw/zinc/48/59/18/386485918.db2.gz XWFHEFKWYUHHRL-INIZCTEOSA-N 0 3 240.350 3.631 20 0 BHADHN CC[C@@H](NCc1ccnc(C)c1)c1ccccc1 ZINC000391219838 386486981 /nfs/dbraw/zinc/48/69/81/386486981.db2.gz XWFHEFKWYUHHRL-MRXNPFEDSA-N 0 3 240.350 3.631 20 0 BHADHN Cc1cccc([C@H](C)NCc2ccnc(C)c2)c1 ZINC000391220346 386486233 /nfs/dbraw/zinc/48/62/33/386486233.db2.gz YFCSYZVVELAPQJ-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cccc([C@@H](C)NCc2ccnc(C)c2)c1 ZINC000391220349 386487769 /nfs/dbraw/zinc/48/77/69/386487769.db2.gz YFCSYZVVELAPQJ-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN CC(C)(CCNCc1ccc(Cl)o1)C1CC1 ZINC000392809645 387290960 /nfs/dbraw/zinc/29/09/60/387290960.db2.gz GBPZVKVIZILEEJ-UHFFFAOYSA-N 0 3 241.762 3.849 20 0 BHADHN CCc1ccc([C@@H](C)NC2(C(C)C)CC2)o1 ZINC000393148715 343753389 /nfs/dbraw/zinc/75/33/89/343753389.db2.gz JYQDIGZEWHEDSR-LLVKDONJSA-N 0 3 221.344 3.681 20 0 BHADHN CCc1ccc([C@H](C)NC2(C(C)C)CC2)o1 ZINC000393148716 343753268 /nfs/dbraw/zinc/75/32/68/343753268.db2.gz JYQDIGZEWHEDSR-NSHDSACASA-N 0 3 221.344 3.681 20 0 BHADHN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cccs1 ZINC000393178109 488064245 /nfs/dbraw/zinc/06/42/45/488064245.db2.gz JJJPMXCSYZAGHC-GMTAPVOTSA-N 0 3 227.348 3.679 20 0 BHADHN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cccs1 ZINC000393178113 488063963 /nfs/dbraw/zinc/06/39/63/488063963.db2.gz JJJPMXCSYZAGHC-HBNTYKKESA-N 0 3 227.348 3.679 20 0 BHADHN CCc1ccc([C@H](C)N[C@H]2C[C@@H]2C(F)F)s1 ZINC000393181411 387860771 /nfs/dbraw/zinc/86/07/71/387860771.db2.gz LSERYOZFCJBMJD-HGNGGELXSA-N 0 3 245.338 3.615 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)s1 ZINC000393181416 387860468 /nfs/dbraw/zinc/86/04/68/387860468.db2.gz LSERYOZFCJBMJD-JEZHCXPESA-N 0 3 245.338 3.615 20 0 BHADHN CC[C@H]1CC[C@H](N[C@@H](C)c2ccco2)CC1 ZINC000393203325 357279517 /nfs/dbraw/zinc/27/95/17/357279517.db2.gz DYSGMKHZACEXIP-AVGNSLFASA-N 0 3 221.344 3.899 20 0 BHADHN CC[C@H]1CC[C@H](N[C@H](C)c2ccco2)CC1 ZINC000393203327 357279515 /nfs/dbraw/zinc/27/95/15/357279515.db2.gz DYSGMKHZACEXIP-JHJVBQTASA-N 0 3 221.344 3.899 20 0 BHADHN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1cccc(Cl)c1 ZINC000393233458 387883655 /nfs/dbraw/zinc/88/36/55/387883655.db2.gz HTQQFQVZLZHPHR-GGVZMXCHSA-N 0 3 245.700 3.644 20 0 BHADHN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1cccc(Cl)c1 ZINC000393233462 387884182 /nfs/dbraw/zinc/88/41/82/387884182.db2.gz HTQQFQVZLZHPHR-SWPVVBRQSA-N 0 3 245.700 3.644 20 0 BHADHN CCCC[C@H](CCC)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000393254135 343779294 /nfs/dbraw/zinc/77/92/94/343779294.db2.gz DDCCRGXDRKNFLP-HZSPNIEDSA-N 0 3 249.402 3.837 20 0 BHADHN CCCC[C@H](CCC)N[C@H]1C[C@H](C)n2ccnc21 ZINC000393254136 343779609 /nfs/dbraw/zinc/77/96/09/343779609.db2.gz DDCCRGXDRKNFLP-IHRRRGAJSA-N 0 3 249.402 3.837 20 0 BHADHN CCCC[C@H](CCC)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000393254137 343779740 /nfs/dbraw/zinc/77/97/40/343779740.db2.gz DDCCRGXDRKNFLP-MELADBBJSA-N 0 3 249.402 3.837 20 0 BHADHN CCCC[C@H](CCC)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000393254138 343779765 /nfs/dbraw/zinc/77/97/65/343779765.db2.gz DDCCRGXDRKNFLP-RDBSUJKOSA-N 0 3 249.402 3.837 20 0 BHADHN Cc1ccsc1[C@H](C)N[C@H]1CCC[C@H]1F ZINC000393430015 357309463 /nfs/dbraw/zinc/30/94/63/357309463.db2.gz IADJLOPFHSPZEY-AXFHLTTASA-N 0 3 227.348 3.598 20 0 BHADHN Cc1ccsc1[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000393430019 357309293 /nfs/dbraw/zinc/30/92/93/357309293.db2.gz IADJLOPFHSPZEY-MXWKQRLJSA-N 0 3 227.348 3.598 20 0 BHADHN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc(Cl)cc1 ZINC000393453517 357310416 /nfs/dbraw/zinc/31/04/16/357310416.db2.gz HATZHKFPCLWTRB-JIMOISOXSA-N 0 3 241.737 3.881 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc(Cl)cc1 ZINC000393453518 357310196 /nfs/dbraw/zinc/31/01/96/357310196.db2.gz HATZHKFPCLWTRB-TVYUQYBPSA-N 0 3 241.737 3.881 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2CCC[C@H]2F)cc1 ZINC000393453672 357310126 /nfs/dbraw/zinc/31/01/26/357310126.db2.gz HGRDUIPQASIOBP-BNOWGMLFSA-N 0 3 221.319 3.536 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CCC[C@H]2F)cc1 ZINC000393453674 357310107 /nfs/dbraw/zinc/31/01/07/357310107.db2.gz HGRDUIPQASIOBP-YUTCNCBUSA-N 0 3 221.319 3.536 20 0 BHADHN CC(C)C1(NCc2cccc(F)c2Cl)CC1 ZINC000393476007 357311367 /nfs/dbraw/zinc/31/13/67/357311367.db2.gz HZJHLJUFAZPIHT-UHFFFAOYSA-N 0 3 241.737 3.757 20 0 BHADHN CC(C)=CCNCc1cc(C)cc(Cl)c1 ZINC000393480877 357284610 /nfs/dbraw/zinc/28/46/10/357284610.db2.gz UUFPZTLVTMWACZ-UHFFFAOYSA-N 0 3 223.747 3.704 20 0 BHADHN CC(C)C1(N[C@H](C)c2ccccc2F)CC1 ZINC000393531947 410745889 /nfs/dbraw/zinc/74/58/89/410745889.db2.gz XUAUSTZMJJBWLI-LLVKDONJSA-N 0 3 221.319 3.665 20 0 BHADHN CC(C)C1(N[C@@H](C)c2ccccc2F)CC1 ZINC000393531949 410746607 /nfs/dbraw/zinc/74/66/07/410746607.db2.gz XUAUSTZMJJBWLI-NSHDSACASA-N 0 3 221.319 3.665 20 0 BHADHN CC[C@H]1CC[C@@H]1NCc1ccccc1Cl ZINC000393618247 259361610 /nfs/dbraw/zinc/36/16/10/259361610.db2.gz ZIYRFUTUWCXKNZ-GWCFXTLKSA-N 0 3 223.747 3.618 20 0 BHADHN CC[C@H]1CC[C@H]1NCc1ccccc1Cl ZINC000393618248 259361596 /nfs/dbraw/zinc/36/15/96/259361596.db2.gz ZIYRFUTUWCXKNZ-GXFFZTMASA-N 0 3 223.747 3.618 20 0 BHADHN CC[C@@H]1CC[C@@H]1NCc1ccccc1Cl ZINC000393618249 259361580 /nfs/dbraw/zinc/36/15/80/259361580.db2.gz ZIYRFUTUWCXKNZ-MFKMUULPSA-N 0 3 223.747 3.618 20 0 BHADHN CC[C@@H]1CC[C@H]1NCc1ccccc1Cl ZINC000393618250 259361593 /nfs/dbraw/zinc/36/15/93/259361593.db2.gz ZIYRFUTUWCXKNZ-ZWNOBZJWSA-N 0 3 223.747 3.618 20 0 BHADHN Cc1ccc(CNCCC(C)(F)F)c(Cl)c1 ZINC000393633190 411029303 /nfs/dbraw/zinc/02/93/03/411029303.db2.gz KQGORSYJOHPZBN-UHFFFAOYSA-N 0 3 247.716 3.783 20 0 BHADHN Cc1ccc([C@H](C)NC/C=C\Cl)cc1F ZINC000393664782 711168312 /nfs/dbraw/zinc/16/83/12/711168312.db2.gz FQDKBXKVHPJAMN-NWPZZWLHSA-N 0 3 227.710 3.537 20 0 BHADHN Cc1ccc([C@@H](C)NC/C=C\Cl)cc1F ZINC000393664783 711168129 /nfs/dbraw/zinc/16/81/29/711168129.db2.gz FQDKBXKVHPJAMN-XICOKMJESA-N 0 3 227.710 3.537 20 0 BHADHN CC(C)(NCc1ccsc1Cl)C1CC1 ZINC000393688392 357292832 /nfs/dbraw/zinc/29/28/32/357292832.db2.gz JGCWQEYILSOIQM-UHFFFAOYSA-N 0 3 229.776 3.680 20 0 BHADHN CCCN(Cc1cnc(Cl)s1)CC(C)C ZINC000393728834 711171725 /nfs/dbraw/zinc/17/17/25/711171725.db2.gz BMKVSMCYAZKSCD-UHFFFAOYSA-N 0 3 246.807 3.665 20 0 BHADHN CCC(CC)NCc1ncc(C(C)(C)C)s1 ZINC000393742270 259466081 /nfs/dbraw/zinc/46/60/81/259466081.db2.gz IBDMANMFOJADDI-UHFFFAOYSA-N 0 3 240.416 3.719 20 0 BHADHN FCCN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000393748675 388440116 /nfs/dbraw/zinc/44/01/16/388440116.db2.gz MHKMIDSEJDCLSI-CYBMUJFWSA-N 0 3 241.737 3.740 20 0 BHADHN FCCN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000393748678 388440123 /nfs/dbraw/zinc/44/01/23/388440123.db2.gz MHKMIDSEJDCLSI-ZDUSSCGKSA-N 0 3 241.737 3.740 20 0 BHADHN Clc1ccc(CN[C@H]2CC3CCC2CC3)o1 ZINC000393751336 388440858 /nfs/dbraw/zinc/44/08/58/388440858.db2.gz OZJWBFPPXAILSM-CBINBANVSA-N 0 3 239.746 3.601 20 0 BHADHN Clc1ccc(CN[C@@H]2CC3CCC2CC3)o1 ZINC000393751338 388441001 /nfs/dbraw/zinc/44/10/01/388441001.db2.gz OZJWBFPPXAILSM-RTYFJBAXSA-N 0 3 239.746 3.601 20 0 BHADHN CC1(CNCc2cc(F)c(Cl)cc2F)CC1 ZINC000393759944 357296084 /nfs/dbraw/zinc/29/60/84/357296084.db2.gz VNHVYBUTCKTZBO-UHFFFAOYSA-N 0 3 245.700 3.508 20 0 BHADHN CCc1ccc([C@@H](NCCF)C(C)C)cc1 ZINC000393762818 388441031 /nfs/dbraw/zinc/44/10/31/388441031.db2.gz NIOBFGGRNLRTFD-AWEZNQCLSA-N 0 3 223.335 3.505 20 0 BHADHN CCc1ccc([C@H](NCCF)C(C)C)cc1 ZINC000393762819 388441261 /nfs/dbraw/zinc/44/12/61/388441261.db2.gz NIOBFGGRNLRTFD-CQSZACIVSA-N 0 3 223.335 3.505 20 0 BHADHN Clc1ccc(CN[C@H]2CC[C@@H]2C2CCC2)o1 ZINC000393765014 487579962 /nfs/dbraw/zinc/57/99/62/487579962.db2.gz PENJAWDYDNJZAE-NEPJUHHUSA-N 0 3 239.746 3.601 20 0 BHADHN Clc1ccc(CN[C@@H]2CC[C@H]2C2CCC2)o1 ZINC000393765016 487580463 /nfs/dbraw/zinc/58/04/63/487580463.db2.gz PENJAWDYDNJZAE-NWDGAFQWSA-N 0 3 239.746 3.601 20 0 BHADHN Clc1ccc(CN[C@H]2CC[C@H]2C2CCC2)o1 ZINC000393765017 487579970 /nfs/dbraw/zinc/57/99/70/487579970.db2.gz PENJAWDYDNJZAE-RYUDHWBXSA-N 0 3 239.746 3.601 20 0 BHADHN Clc1ccc(CN[C@@H]2CC[C@@H]2C2CCC2)o1 ZINC000393765018 487948557 /nfs/dbraw/zinc/94/85/57/487948557.db2.gz PENJAWDYDNJZAE-VXGBXAGGSA-N 0 3 239.746 3.601 20 0 BHADHN CC(C)(C)CNCc1ncc(C(C)(C)C)s1 ZINC000393773125 387303862 /nfs/dbraw/zinc/30/38/62/387303862.db2.gz VLROTZVRQNWOEA-UHFFFAOYSA-N 0 3 240.416 3.576 20 0 BHADHN CC(C)(C)[C@@H]1CC[C@H]1NCc1ccc(Cl)o1 ZINC000393780641 582924522 /nfs/dbraw/zinc/92/45/22/582924522.db2.gz ONFHBYLSPSLODM-GHMZBOCLSA-N 0 3 241.762 3.847 20 0 BHADHN CC(C)(C)[C@@H]1CC[C@@H]1NCc1ccc(Cl)o1 ZINC000393780642 582924535 /nfs/dbraw/zinc/92/45/35/582924535.db2.gz ONFHBYLSPSLODM-MNOVXSKESA-N 0 3 241.762 3.847 20 0 BHADHN CC(C)(C)[C@H]1CC[C@@H]1NCc1ccc(Cl)o1 ZINC000393780643 582924528 /nfs/dbraw/zinc/92/45/28/582924528.db2.gz ONFHBYLSPSLODM-QWRGUYRKSA-N 0 3 241.762 3.847 20 0 BHADHN CC(C)(C)[C@H]1CC[C@H]1NCc1ccc(Cl)o1 ZINC000393780645 582924145 /nfs/dbraw/zinc/92/41/45/582924145.db2.gz ONFHBYLSPSLODM-WDEREUQCSA-N 0 3 241.762 3.847 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H]1C)c1c(F)cccc1Cl ZINC000393782420 711678693 /nfs/dbraw/zinc/67/86/93/711678693.db2.gz TZAXVCQMLJQCHT-AUTRQRHGSA-N 0 3 241.737 3.928 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1c(F)cccc1Cl ZINC000393782422 711678701 /nfs/dbraw/zinc/67/87/01/711678701.db2.gz TZAXVCQMLJQCHT-HOTUBEGUSA-N 0 3 241.737 3.928 20 0 BHADHN C[C@H](N[C@H]1CC[C@H]1C)c1c(F)cccc1Cl ZINC000393782423 710683474 /nfs/dbraw/zinc/68/34/74/710683474.db2.gz TZAXVCQMLJQCHT-PTRXPTGYSA-N 0 3 241.737 3.928 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H]1C)c1c(F)cccc1Cl ZINC000393782424 710683812 /nfs/dbraw/zinc/68/38/12/710683812.db2.gz TZAXVCQMLJQCHT-VDDIYKPWSA-N 0 3 241.737 3.928 20 0 BHADHN Cc1ccsc1[C@H](C)NCc1ccoc1C ZINC000393783894 582924116 /nfs/dbraw/zinc/92/41/16/582924116.db2.gz SCAOWOHQCMSNSQ-JTQLQIEISA-N 0 3 235.352 3.809 20 0 BHADHN Cc1ccsc1[C@@H](C)NCc1ccoc1C ZINC000393783896 582924100 /nfs/dbraw/zinc/92/41/00/582924100.db2.gz SCAOWOHQCMSNSQ-SNVBAGLBSA-N 0 3 235.352 3.809 20 0 BHADHN C[C@@H](CC1CCCC1)NCc1ccc(Cl)o1 ZINC000393797488 582925053 /nfs/dbraw/zinc/92/50/53/582925053.db2.gz LPOAIQUDXGGEQZ-JTQLQIEISA-N 0 3 241.762 3.991 20 0 BHADHN C[C@H](CC1CCCC1)NCc1ccc(Cl)o1 ZINC000393797490 582925229 /nfs/dbraw/zinc/92/52/29/582925229.db2.gz LPOAIQUDXGGEQZ-SNVBAGLBSA-N 0 3 241.762 3.991 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](F)C1)c1ccccc1Cl ZINC000393810525 259389787 /nfs/dbraw/zinc/38/97/87/259389787.db2.gz UQNXVSQNPOKBAI-AXFHLTTASA-N 0 3 241.737 3.881 20 0 BHADHN C[C@H](N[C@H]1CC[C@H](F)C1)c1ccccc1Cl ZINC000393810526 259389779 /nfs/dbraw/zinc/38/97/79/259389779.db2.gz UQNXVSQNPOKBAI-DCAQKATOSA-N 0 3 241.737 3.881 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H](F)C1)c1ccccc1Cl ZINC000393810527 259389726 /nfs/dbraw/zinc/38/97/26/259389726.db2.gz UQNXVSQNPOKBAI-GARJFASQSA-N 0 3 241.737 3.881 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](F)C1)c1ccccc1Cl ZINC000393810528 259389802 /nfs/dbraw/zinc/38/98/02/259389802.db2.gz UQNXVSQNPOKBAI-HBNTYKKESA-N 0 3 241.737 3.881 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CSC2(C)C)cs1 ZINC000393842772 259399018 /nfs/dbraw/zinc/39/90/18/259399018.db2.gz AFHPYCBMBLKOHR-GXSJLCMTSA-N 0 3 241.425 3.601 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CSC2(C)C)cs1 ZINC000393842784 259399082 /nfs/dbraw/zinc/39/90/82/259399082.db2.gz AFHPYCBMBLKOHR-KOLCDFICSA-N 0 3 241.425 3.601 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CSC2(C)C)cs1 ZINC000393842788 259398849 /nfs/dbraw/zinc/39/88/49/259398849.db2.gz AFHPYCBMBLKOHR-MWLCHTKSSA-N 0 3 241.425 3.601 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CSC2(C)C)cs1 ZINC000393842792 259399239 /nfs/dbraw/zinc/39/92/39/259399239.db2.gz AFHPYCBMBLKOHR-ONGXEEELSA-N 0 3 241.425 3.601 20 0 BHADHN CC1(C)SC[C@@H]1NCc1ccccc1C1CC1 ZINC000393845089 487585808 /nfs/dbraw/zinc/58/58/08/487585808.db2.gz COPAZGNCRQLPCI-AWEZNQCLSA-N 0 3 247.407 3.548 20 0 BHADHN CC1(C)SC[C@H]1NCc1ccccc1C1CC1 ZINC000393845094 487586084 /nfs/dbraw/zinc/58/60/84/487586084.db2.gz COPAZGNCRQLPCI-CQSZACIVSA-N 0 3 247.407 3.548 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CSC2(C)C)c(C)c1 ZINC000393849274 357303558 /nfs/dbraw/zinc/30/35/58/357303558.db2.gz DCGCBJWLJPVOEY-GXTWGEPZSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CSC2(C)C)c(C)c1 ZINC000393849275 357303082 /nfs/dbraw/zinc/30/30/82/357303082.db2.gz DCGCBJWLJPVOEY-JSGCOSHPSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2CSC2(C)C)c(C)c1 ZINC000393849276 357303151 /nfs/dbraw/zinc/30/31/51/357303151.db2.gz DCGCBJWLJPVOEY-OCCSQVGLSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CSC2(C)C)c(C)c1 ZINC000393849277 357303564 /nfs/dbraw/zinc/30/35/64/357303564.db2.gz DCGCBJWLJPVOEY-TZMCWYRMSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CSC2(C)C)cc1C ZINC000393863570 357303042 /nfs/dbraw/zinc/30/30/42/357303042.db2.gz LTSDDRJEXIIKFT-GXTWGEPZSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CSC2(C)C)cc1C ZINC000393863573 357302949 /nfs/dbraw/zinc/30/29/49/357302949.db2.gz LTSDDRJEXIIKFT-JSGCOSHPSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2CSC2(C)C)cc1C ZINC000393863575 357303338 /nfs/dbraw/zinc/30/33/38/357303338.db2.gz LTSDDRJEXIIKFT-OCCSQVGLSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CSC2(C)C)cc1C ZINC000393863579 357303446 /nfs/dbraw/zinc/30/34/46/357303446.db2.gz LTSDDRJEXIIKFT-TZMCWYRMSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1ccc(C)c([C@H](C)N[C@@H]2CSC2(C)C)c1 ZINC000393868074 388445477 /nfs/dbraw/zinc/44/54/77/388445477.db2.gz SBFGUIXBSZUSPI-GXTWGEPZSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1ccc(C)c([C@H](C)N[C@H]2CSC2(C)C)c1 ZINC000393868076 388444764 /nfs/dbraw/zinc/44/47/64/388444764.db2.gz SBFGUIXBSZUSPI-JSGCOSHPSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1ccc(C)c([C@@H](C)N[C@H]2CSC2(C)C)c1 ZINC000393868077 388444579 /nfs/dbraw/zinc/44/45/79/388444579.db2.gz SBFGUIXBSZUSPI-OCCSQVGLSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1ccc(C)c([C@@H](C)N[C@@H]2CSC2(C)C)c1 ZINC000393868079 388445425 /nfs/dbraw/zinc/44/54/25/388445425.db2.gz SBFGUIXBSZUSPI-TZMCWYRMSA-N 0 3 249.423 3.848 20 0 BHADHN CC[C@@H](N[C@@H]1CSC1(C)C)c1ccsc1 ZINC000393879463 388444892 /nfs/dbraw/zinc/44/48/92/388444892.db2.gz KPDFNSCJPJHGAH-GHMZBOCLSA-N 0 3 241.425 3.683 20 0 BHADHN CC[C@@H](N[C@H]1CSC1(C)C)c1ccsc1 ZINC000393879464 388444932 /nfs/dbraw/zinc/44/49/32/388444932.db2.gz KPDFNSCJPJHGAH-MNOVXSKESA-N 0 3 241.425 3.683 20 0 BHADHN CC[C@H](N[C@H]1CSC1(C)C)c1ccsc1 ZINC000393879465 259714216 /nfs/dbraw/zinc/71/42/16/259714216.db2.gz KPDFNSCJPJHGAH-QWRGUYRKSA-N 0 3 241.425 3.683 20 0 BHADHN CC[C@H](N[C@@H]1CSC1(C)C)c1ccsc1 ZINC000393879467 388444557 /nfs/dbraw/zinc/44/45/57/388444557.db2.gz KPDFNSCJPJHGAH-WDEREUQCSA-N 0 3 241.425 3.683 20 0 BHADHN CC(C)(C)CCCNCc1ccc(F)cc1F ZINC000393894904 344002444 /nfs/dbraw/zinc/00/24/44/344002444.db2.gz RAMGJZSMPVMICG-UHFFFAOYSA-N 0 3 241.325 3.881 20 0 BHADHN Cc1noc(C)c1[C@@H](C)NC[C@H](C)CC(C)C ZINC000393923781 582933376 /nfs/dbraw/zinc/93/33/76/582933376.db2.gz OPBBVGAUWDPLCQ-GHMZBOCLSA-N 0 3 238.375 3.624 20 0 BHADHN Cc1noc(C)c1[C@H](C)NC[C@H](C)CC(C)C ZINC000393923786 582933595 /nfs/dbraw/zinc/93/35/95/582933595.db2.gz OPBBVGAUWDPLCQ-MNOVXSKESA-N 0 3 238.375 3.624 20 0 BHADHN Cc1noc(C)c1[C@H](C)NC[C@@H](C)CC(C)C ZINC000393923789 582933699 /nfs/dbraw/zinc/93/36/99/582933699.db2.gz OPBBVGAUWDPLCQ-QWRGUYRKSA-N 0 3 238.375 3.624 20 0 BHADHN Cc1noc(C)c1[C@@H](C)NC[C@@H](C)CC(C)C ZINC000393923792 582933768 /nfs/dbraw/zinc/93/37/68/582933768.db2.gz OPBBVGAUWDPLCQ-WDEREUQCSA-N 0 3 238.375 3.624 20 0 BHADHN Cc1csc(CN[C@H]2CCc3ccccc32)c1 ZINC000393953082 357322356 /nfs/dbraw/zinc/32/23/56/357322356.db2.gz AOXHPPWPQMVYIU-HNNXBMFYSA-N 0 3 243.375 3.834 20 0 BHADHN Cc1csc(CN[C@@H]2CCc3ccccc32)c1 ZINC000393953083 357322088 /nfs/dbraw/zinc/32/20/88/357322088.db2.gz AOXHPPWPQMVYIU-OAHLLOKOSA-N 0 3 243.375 3.834 20 0 BHADHN Cc1csc(CNCc2c(C)cccc2C)c1 ZINC000393958409 357322182 /nfs/dbraw/zinc/32/21/82/357322182.db2.gz NCLCKHOMBQHILY-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN CCC[C@H](CN[C@H](CC)c1ccsc1)OC ZINC000394293531 385267044 /nfs/dbraw/zinc/26/70/44/385267044.db2.gz OMWCBMVYWZHUNH-CHWSQXEVSA-N 0 3 241.400 3.604 20 0 BHADHN CCC[C@H](CN[C@@H](CC)c1ccsc1)OC ZINC000394293534 385267599 /nfs/dbraw/zinc/26/75/99/385267599.db2.gz OMWCBMVYWZHUNH-OLZOCXBDSA-N 0 3 241.400 3.604 20 0 BHADHN CCC[C@@H](CN[C@H](CC)c1ccsc1)OC ZINC000394293536 385266238 /nfs/dbraw/zinc/26/62/38/385266238.db2.gz OMWCBMVYWZHUNH-QWHCGFSZSA-N 0 3 241.400 3.604 20 0 BHADHN CCC[C@@H](CN[C@@H](CC)c1ccsc1)OC ZINC000394293538 385267921 /nfs/dbraw/zinc/26/79/21/385267921.db2.gz OMWCBMVYWZHUNH-STQMWFEESA-N 0 3 241.400 3.604 20 0 BHADHN CCCCOCCN[C@H](CC)c1ccsc1 ZINC000394362511 387890759 /nfs/dbraw/zinc/89/07/59/387890759.db2.gz QAXYBHWBBCEADE-CYBMUJFWSA-N 0 3 241.400 3.606 20 0 BHADHN CCCCOCCN[C@@H](CC)c1ccsc1 ZINC000394362512 384397679 /nfs/dbraw/zinc/39/76/79/384397679.db2.gz QAXYBHWBBCEADE-ZDUSSCGKSA-N 0 3 241.400 3.606 20 0 BHADHN CC[C@H](C)CCN[C@H](C)c1nc(C)cs1 ZINC000394394679 342748619 /nfs/dbraw/zinc/74/86/19/342748619.db2.gz DBGVBMWLAXCSOB-GXSJLCMTSA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@@H](C)CCN[C@@H](C)c1nc(C)cs1 ZINC000394394681 342748532 /nfs/dbraw/zinc/74/85/32/342748532.db2.gz DBGVBMWLAXCSOB-KOLCDFICSA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@@H](C)CCN[C@H](C)c1nc(C)cs1 ZINC000394394682 342748610 /nfs/dbraw/zinc/74/86/10/342748610.db2.gz DBGVBMWLAXCSOB-MWLCHTKSSA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@H](C)CCN[C@@H](C)c1nc(C)cs1 ZINC000394394684 344955095 /nfs/dbraw/zinc/95/50/95/344955095.db2.gz DBGVBMWLAXCSOB-ONGXEEELSA-N 0 3 226.389 3.538 20 0 BHADHN Cc1cccnc1CNCCC1CCCCCC1 ZINC000394565996 357357541 /nfs/dbraw/zinc/35/75/41/357357541.db2.gz ISTZXEWUYSEJPI-UHFFFAOYSA-N 0 3 246.398 3.840 20 0 BHADHN Cc1cc(CNCc2c(C)cccc2C)cs1 ZINC000394570184 711195473 /nfs/dbraw/zinc/19/54/73/711195473.db2.gz RGYXLZVBBTUSBY-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1cccc(CNCCC2CCCCCC2)n1 ZINC000394574273 357360382 /nfs/dbraw/zinc/36/03/82/357360382.db2.gz NZYRUEXRHWMHFP-UHFFFAOYSA-N 0 3 246.398 3.840 20 0 BHADHN CCC1(NCc2ncc(Cl)s2)CCCC1 ZINC000394587055 259376056 /nfs/dbraw/zinc/37/60/56/259376056.db2.gz GQUPNVCJUGDDJC-UHFFFAOYSA-N 0 3 244.791 3.609 20 0 BHADHN CCC1(NCc2c(F)cccc2F)CCCC1 ZINC000394598362 259380617 /nfs/dbraw/zinc/38/06/17/259380617.db2.gz OFDHDJJZVKSHLY-UHFFFAOYSA-N 0 3 239.309 3.777 20 0 BHADHN CCC1(NCc2nc(C)c(C)s2)CCCC1 ZINC000394639593 386604540 /nfs/dbraw/zinc/60/45/40/386604540.db2.gz LAVVBLYZXGZJSF-UHFFFAOYSA-N 0 3 238.400 3.572 20 0 BHADHN c1ccc(CNCCC2CCCCCC2)nc1 ZINC000394653156 583007900 /nfs/dbraw/zinc/00/79/00/583007900.db2.gz ZTULSICRXRHHFQ-UHFFFAOYSA-N 0 3 232.371 3.532 20 0 BHADHN CCC(C)(C)CN[C@@H](C)c1nc(C)cs1 ZINC000394661275 352565048 /nfs/dbraw/zinc/56/50/48/352565048.db2.gz KUAIJEULAHUKCA-JTQLQIEISA-N 0 3 226.389 3.538 20 0 BHADHN CCC(C)(C)CN[C@H](C)c1nc(C)cs1 ZINC000394661276 342812850 /nfs/dbraw/zinc/81/28/50/342812850.db2.gz KUAIJEULAHUKCA-SNVBAGLBSA-N 0 3 226.389 3.538 20 0 BHADHN CCCC[C@@H](CC)CNCc1ncc(C)s1 ZINC000394707189 385815473 /nfs/dbraw/zinc/81/54/73/385815473.db2.gz AHYYWKYUACFMAG-GFCCVEGCSA-N 0 3 240.416 3.758 20 0 BHADHN CCCC[C@H](CC)CNCc1ncc(C)s1 ZINC000394707191 385815279 /nfs/dbraw/zinc/81/52/79/385815279.db2.gz AHYYWKYUACFMAG-LBPRGKRZSA-N 0 3 240.416 3.758 20 0 BHADHN Cc1cnc(CNCCCC2CCCC2)s1 ZINC000394719866 262745299 /nfs/dbraw/zinc/74/52/99/262745299.db2.gz FJXGWRSDVXYFSD-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN CCC1(NCc2ncc(C)s2)CCCCC1 ZINC000394721924 262745615 /nfs/dbraw/zinc/74/56/15/262745615.db2.gz FXSYHQNLIAOVIY-UHFFFAOYSA-N 0 3 238.400 3.654 20 0 BHADHN Cc1cnc(CNCC(C)(C)C(C)(C)C)s1 ZINC000394727803 385919879 /nfs/dbraw/zinc/91/98/79/385919879.db2.gz PFNQQMXDDBQMPP-UHFFFAOYSA-N 0 3 240.416 3.613 20 0 BHADHN CCCC1(CNCc2ncc(C)s2)CCC1 ZINC000394730184 323095653 /nfs/dbraw/zinc/09/56/53/323095653.db2.gz MSFKMRZORHXQPF-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN Cc1cnc(CNCC2(C)CCCCC2)s1 ZINC000394737616 323096705 /nfs/dbraw/zinc/09/67/05/323096705.db2.gz UPDOECLVLZRRSE-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN Cc1cnc(CNCC(C)(C)CC(C)C)s1 ZINC000394743093 350463239 /nfs/dbraw/zinc/46/32/39/350463239.db2.gz IMHZYHXMPGWFLH-UHFFFAOYSA-N 0 3 240.416 3.613 20 0 BHADHN CCC1(CNCc2ncc(C)s2)CCCC1 ZINC000394754766 323107572 /nfs/dbraw/zinc/10/75/72/323107572.db2.gz ZCTPZMNMWJJGND-UHFFFAOYSA-N 0 3 238.400 3.512 20 0 BHADHN CC(C)(C)NCc1ccsc1C(F)(F)F ZINC000394864513 357384924 /nfs/dbraw/zinc/38/49/24/357384924.db2.gz TYHGGDJPXULUBV-UHFFFAOYSA-N 0 3 237.290 3.655 20 0 BHADHN CCc1cnc(CNC2(CC)CCCC2)s1 ZINC000394915077 323162806 /nfs/dbraw/zinc/16/28/06/323162806.db2.gz LGVSDSODLOMDII-UHFFFAOYSA-N 0 3 238.400 3.518 20 0 BHADHN C/C=C\CN[C@H]1CCSc2c(F)cccc21 ZINC000394953989 711199853 /nfs/dbraw/zinc/19/98/53/711199853.db2.gz JVOGMTOKGYZIIX-DLGQBQFBSA-N 0 3 237.343 3.528 20 0 BHADHN C/C=C/CN[C@H]1CCSc2c(F)cccc21 ZINC000394953990 711199620 /nfs/dbraw/zinc/19/96/20/711199620.db2.gz JVOGMTOKGYZIIX-JDGPPOGSSA-N 0 3 237.343 3.528 20 0 BHADHN C/C=C/CN[C@@H]1CCSc2c(F)cccc21 ZINC000394953991 711199396 /nfs/dbraw/zinc/19/93/96/711199396.db2.gz JVOGMTOKGYZIIX-QAVQXKDTSA-N 0 3 237.343 3.528 20 0 BHADHN C/C=C\CN[C@@H]1CCSc2c(F)cccc21 ZINC000394953993 711691229 /nfs/dbraw/zinc/69/12/29/711691229.db2.gz JVOGMTOKGYZIIX-ZZKXABKFSA-N 0 3 237.343 3.528 20 0 BHADHN CC/C=C\CN[C@@H](C)c1csc(C)c1 ZINC000394973539 386772089 /nfs/dbraw/zinc/77/20/89/386772089.db2.gz CKVAYFDXRUMQPO-GZTOBOFZSA-N 0 3 209.358 3.673 20 0 BHADHN CC/C=C\CN[C@H](C)c1csc(C)c1 ZINC000394973541 386772404 /nfs/dbraw/zinc/77/24/04/386772404.db2.gz CKVAYFDXRUMQPO-ISALQUGTSA-N 0 3 209.358 3.673 20 0 BHADHN CC/C=C/CN[C@H](C)c1csc(C)c1 ZINC000394973542 386773113 /nfs/dbraw/zinc/77/31/13/386773113.db2.gz CKVAYFDXRUMQPO-MVIFTORASA-N 0 3 209.358 3.673 20 0 BHADHN CC/C=C/CN[C@@H](C)c1csc(C)c1 ZINC000394974114 398292601 /nfs/dbraw/zinc/29/26/01/398292601.db2.gz CKVAYFDXRUMQPO-QRGHLMKCSA-N 0 3 209.358 3.673 20 0 BHADHN CC/C=C\CN[C@H](C)c1cnc2ccsc2c1 ZINC000394975337 386773080 /nfs/dbraw/zinc/77/30/80/386773080.db2.gz TYOSHOMSDISPHD-DOGVGXBMSA-N 0 3 246.379 3.913 20 0 BHADHN CC/C=C/CN[C@H](C)c1cnc2ccsc2c1 ZINC000394975340 386772833 /nfs/dbraw/zinc/77/28/33/386772833.db2.gz TYOSHOMSDISPHD-SGUJLRQBSA-N 0 3 246.379 3.913 20 0 BHADHN CC/C=C\CN[C@@H](C)c1cnc2ccsc2c1 ZINC000394975342 386772474 /nfs/dbraw/zinc/77/24/74/386772474.db2.gz TYOSHOMSDISPHD-WYGGZMRJSA-N 0 3 246.379 3.913 20 0 BHADHN CC/C=C/CN[C@@H](C)c1cnc2ccsc2c1 ZINC000394975345 386772235 /nfs/dbraw/zinc/77/22/35/386772235.db2.gz TYOSHOMSDISPHD-ZWNMCFTASA-N 0 3 246.379 3.913 20 0 BHADHN C/C=C\CNCc1ccc(F)cc1C(F)(F)F ZINC000395025483 344028262 /nfs/dbraw/zinc/02/82/62/344028262.db2.gz FLVKBWJRFQQNDR-IHWYPQMZSA-N 0 3 247.235 3.510 20 0 BHADHN C/C=C/CNCc1ccc(F)cc1C(F)(F)F ZINC000395025484 344028253 /nfs/dbraw/zinc/02/82/53/344028253.db2.gz FLVKBWJRFQQNDR-NSCUHMNNSA-N 0 3 247.235 3.510 20 0 BHADHN Cc1ccc(CN[C@@H](C)CC(C)(C)C)o1 ZINC000395027511 323185355 /nfs/dbraw/zinc/18/53/55/323185355.db2.gz SYLCBWJSQGEZFT-JTQLQIEISA-N 0 3 209.333 3.502 20 0 BHADHN Cc1ccc(CN[C@H](C)CC(C)(C)C)o1 ZINC000395027513 323185357 /nfs/dbraw/zinc/18/53/57/323185357.db2.gz SYLCBWJSQGEZFT-SNVBAGLBSA-N 0 3 209.333 3.502 20 0 BHADHN CC/C=C\CNCc1ccc2nc(C)ccc2c1 ZINC000395084558 386849993 /nfs/dbraw/zinc/84/99/93/386849993.db2.gz VCRXPBIVLGJPHY-PLNGDYQASA-N 0 3 240.350 3.599 20 0 BHADHN CC/C=C/CNCc1ccc2nc(C)ccc2c1 ZINC000395084559 386848718 /nfs/dbraw/zinc/84/87/18/386848718.db2.gz VCRXPBIVLGJPHY-SNAWJCMRSA-N 0 3 240.350 3.599 20 0 BHADHN C/C=C/CN[C@H](C)c1csc(Cl)c1 ZINC000395128005 344090569 /nfs/dbraw/zinc/09/05/69/344090569.db2.gz DZVFASWBZNUWCE-MPJRPATESA-N 0 3 215.749 3.628 20 0 BHADHN C/C=C/CN[C@@H](C)c1csc(Cl)c1 ZINC000395128007 344090575 /nfs/dbraw/zinc/09/05/75/344090575.db2.gz DZVFASWBZNUWCE-RTMURIBGSA-N 0 3 215.749 3.628 20 0 BHADHN C/C=C\CN[C@H](C)c1csc(Cl)c1 ZINC000395128008 344090709 /nfs/dbraw/zinc/09/07/09/344090709.db2.gz DZVFASWBZNUWCE-TUUFMJSCSA-N 0 3 215.749 3.628 20 0 BHADHN C/C=C\CN[C@@H](C)c1csc(Cl)c1 ZINC000395128010 344090608 /nfs/dbraw/zinc/09/06/08/344090608.db2.gz DZVFASWBZNUWCE-VEMNSZJBSA-N 0 3 215.749 3.628 20 0 BHADHN CC1(C)CC(NCc2ccc3ccccc3n2)C1 ZINC000395168778 386953719 /nfs/dbraw/zinc/95/37/19/386953719.db2.gz FSRBCEMITMICSL-UHFFFAOYSA-N 0 3 240.350 3.513 20 0 BHADHN C[C@@H](NC1CC(C)(C)C1)c1c(F)cccc1F ZINC000395176868 262766763 /nfs/dbraw/zinc/76/67/63/262766763.db2.gz KLRJDEWIZHCPSP-SECBINFHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](NC1CC(C)(C)C1)c1c(F)cccc1F ZINC000395176873 386960134 /nfs/dbraw/zinc/96/01/34/386960134.db2.gz KLRJDEWIZHCPSP-VIFPVBQESA-N 0 3 239.309 3.804 20 0 BHADHN CCOc1ccccc1[C@@H](C)NC1CC(C)(C)C1 ZINC000395179609 386963919 /nfs/dbraw/zinc/96/39/19/386963919.db2.gz MHYHAJFPHVOZRT-GFCCVEGCSA-N 0 3 247.382 3.925 20 0 BHADHN CCOc1ccccc1[C@H](C)NC1CC(C)(C)C1 ZINC000395179613 386964060 /nfs/dbraw/zinc/96/40/60/386964060.db2.gz MHYHAJFPHVOZRT-LBPRGKRZSA-N 0 3 247.382 3.925 20 0 BHADHN C[C@@H](NC1CC(C)(C)C1)c1ccc(F)cc1F ZINC000395180453 386963119 /nfs/dbraw/zinc/96/31/19/386963119.db2.gz NASBUMLFEMIZLO-SECBINFHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](NC1CC(C)(C)C1)c1ccc(F)cc1F ZINC000395180455 386965956 /nfs/dbraw/zinc/96/59/56/386965956.db2.gz NASBUMLFEMIZLO-VIFPVBQESA-N 0 3 239.309 3.804 20 0 BHADHN CC(C)Oc1ccccc1CNC1CC(C)(C)C1 ZINC000395181894 386970712 /nfs/dbraw/zinc/97/07/12/386970712.db2.gz OAQIYYGCJWUPFO-UHFFFAOYSA-N 0 3 247.382 3.752 20 0 BHADHN Cc1nc([C@@H](C)NC2CC(C)(C)C2)c(C)s1 ZINC000395183118 487842029 /nfs/dbraw/zinc/84/20/29/487842029.db2.gz PIQDMJOTZUDJIA-MRVPVSSYSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc([C@H](C)NC2CC(C)(C)C2)c(C)s1 ZINC000395183506 487841511 /nfs/dbraw/zinc/84/15/11/487841511.db2.gz PIQDMJOTZUDJIA-QMMMGPOBSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1cc(Cl)cc(CNCCC(C)(F)F)c1 ZINC000395189440 386971114 /nfs/dbraw/zinc/97/11/14/386971114.db2.gz XWFQAENGCBVFIT-UHFFFAOYSA-N 0 3 247.716 3.783 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNC2CC(C)(C)C2)o1 ZINC000395190956 357416540 /nfs/dbraw/zinc/41/65/40/357416540.db2.gz XQRGWRJVPPJTLN-GWCFXTLKSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNC2CC(C)(C)C2)o1 ZINC000395190957 357417006 /nfs/dbraw/zinc/41/70/06/357417006.db2.gz XQRGWRJVPPJTLN-GXFFZTMASA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC2CC(C)(C)C2)o1 ZINC000395190958 357417015 /nfs/dbraw/zinc/41/70/15/357417015.db2.gz XQRGWRJVPPJTLN-MFKMUULPSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC2CC(C)(C)C2)o1 ZINC000395190959 357416905 /nfs/dbraw/zinc/41/69/05/357416905.db2.gz XQRGWRJVPPJTLN-ZWNOBZJWSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H](NC1CC(C)(C)C1)c1cccc(F)c1F ZINC000395192272 386980842 /nfs/dbraw/zinc/98/08/42/386980842.db2.gz YPZHCBMOZOBVJH-SECBINFHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](NC1CC(C)(C)C1)c1cccc(F)c1F ZINC000395192274 262768428 /nfs/dbraw/zinc/76/84/28/262768428.db2.gz YPZHCBMOZOBVJH-VIFPVBQESA-N 0 3 239.309 3.804 20 0 BHADHN COc1ccccc1[C@@H](C)NC1CC(C)(C)C1 ZINC000395192331 386980444 /nfs/dbraw/zinc/98/04/44/386980444.db2.gz YUEZKAZLTPKOCG-LLVKDONJSA-N 0 3 233.355 3.534 20 0 BHADHN COc1ccccc1[C@H](C)NC1CC(C)(C)C1 ZINC000395192333 386981078 /nfs/dbraw/zinc/98/10/78/386981078.db2.gz YUEZKAZLTPKOCG-NSHDSACASA-N 0 3 233.355 3.534 20 0 BHADHN C[C@@H](NC1CC(C)(C)C1)c1cc(F)ccc1F ZINC000395192915 386981360 /nfs/dbraw/zinc/98/13/60/386981360.db2.gz ZBAAZBXLBWANCN-SECBINFHSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@H](NC1CC(C)(C)C1)c1cc(F)ccc1F ZINC000395192917 386980433 /nfs/dbraw/zinc/98/04/33/386980433.db2.gz ZBAAZBXLBWANCN-VIFPVBQESA-N 0 3 239.309 3.804 20 0 BHADHN Cc1cccnc1CNCCCC1CCCCC1 ZINC000395193022 357416989 /nfs/dbraw/zinc/41/69/89/357416989.db2.gz ISWQUVWWTWBCQO-UHFFFAOYSA-N 0 3 246.398 3.840 20 0 BHADHN CCC(CC)(CC)CNCc1oc(C)nc1C ZINC000395217473 362356984 /nfs/dbraw/zinc/35/69/84/362356984.db2.gz KYNOIQAIEJFUAB-UHFFFAOYSA-N 0 3 238.375 3.597 20 0 BHADHN Cc1cccc(CNCCCC2CCCCC2)n1 ZINC000395232912 357429047 /nfs/dbraw/zinc/42/90/47/357429047.db2.gz RYJGMJZYMKDIHZ-UHFFFAOYSA-N 0 3 246.398 3.840 20 0 BHADHN COc1ccc(C)cc1[C@@H](C)NC1CC(C)(C)C1 ZINC000395259050 323223673 /nfs/dbraw/zinc/22/36/73/323223673.db2.gz IDFBPNAMXVIIBO-GFCCVEGCSA-N 0 3 247.382 3.843 20 0 BHADHN COc1ccc(C)cc1[C@H](C)NC1CC(C)(C)C1 ZINC000395259051 323223655 /nfs/dbraw/zinc/22/36/55/323223655.db2.gz IDFBPNAMXVIIBO-LBPRGKRZSA-N 0 3 247.382 3.843 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CC23CCCC3)c(C)o1 ZINC000395654616 323235375 /nfs/dbraw/zinc/23/53/75/323235375.db2.gz UROWGNUXIQXMJZ-BXUZGUMPSA-N 0 3 233.355 3.880 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CC23CCCC3)c(C)o1 ZINC000395654617 323235352 /nfs/dbraw/zinc/23/53/52/323235352.db2.gz UROWGNUXIQXMJZ-FZMZJTMJSA-N 0 3 233.355 3.880 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CC23CCCC3)c(C)o1 ZINC000395654619 323235933 /nfs/dbraw/zinc/23/59/33/323235933.db2.gz UROWGNUXIQXMJZ-RISCZKNCSA-N 0 3 233.355 3.880 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CC23CCCC3)c(C)o1 ZINC000395654620 323235594 /nfs/dbraw/zinc/23/55/94/323235594.db2.gz UROWGNUXIQXMJZ-SMDDNHRTSA-N 0 3 233.355 3.880 20 0 BHADHN CCC(CC)[C@H](NC1CSC1)c1ccccc1 ZINC000396453799 583082758 /nfs/dbraw/zinc/08/27/58/583082758.db2.gz LCSUGFUQTDIJGW-HNNXBMFYSA-N 0 3 249.423 3.869 20 0 BHADHN CCC(CC)[C@@H](NC1CSC1)c1ccccc1 ZINC000396453802 583082681 /nfs/dbraw/zinc/08/26/81/583082681.db2.gz LCSUGFUQTDIJGW-OAHLLOKOSA-N 0 3 249.423 3.869 20 0 BHADHN C[C@@H](CN[C@@H](C)c1ccco1)CC(F)(F)F ZINC000396912353 387514099 /nfs/dbraw/zinc/51/40/99/387514099.db2.gz PYTHZNYZIDWPOF-BDAKNGLRSA-N 0 3 235.249 3.519 20 0 BHADHN C[C@@H](NC[C@@H](C)CC(F)(F)F)c1ccco1 ZINC000396912354 387513076 /nfs/dbraw/zinc/51/30/76/387513076.db2.gz PYTHZNYZIDWPOF-DTWKUNHWSA-N 0 3 235.249 3.519 20 0 BHADHN C[C@H](CN[C@@H](C)c1ccco1)CC(F)(F)F ZINC000396912355 387513888 /nfs/dbraw/zinc/51/38/88/387513888.db2.gz PYTHZNYZIDWPOF-IUCAKERBSA-N 0 3 235.249 3.519 20 0 BHADHN C[C@@H](CN[C@H](C)c1ccco1)CC(F)(F)F ZINC000396912357 387513107 /nfs/dbraw/zinc/51/31/07/387513107.db2.gz PYTHZNYZIDWPOF-RKDXNWHRSA-N 0 3 235.249 3.519 20 0 BHADHN Cc1cc(C)c(CN[C@H](C)c2ccsc2)cn1 ZINC000396968907 262829018 /nfs/dbraw/zinc/82/90/18/262829018.db2.gz DWCGSZRPPUVKGA-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc(C)c(CN[C@@H](C)c2ccsc2)cn1 ZINC000396968909 387522896 /nfs/dbraw/zinc/52/28/96/387522896.db2.gz DWCGSZRPPUVKGA-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc(C)c(CN[C@H](C)c2cccs2)cn1 ZINC000396973310 387524939 /nfs/dbraw/zinc/52/49/39/387524939.db2.gz IBDITYSOKYRDMM-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc(C)c(CN[C@@H](C)c2cccs2)cn1 ZINC000396973311 387525662 /nfs/dbraw/zinc/52/56/62/387525662.db2.gz IBDITYSOKYRDMM-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CCc1ccc(CNC[C@H](C)CC(F)(F)F)o1 ZINC000396987913 387529004 /nfs/dbraw/zinc/52/90/04/387529004.db2.gz NHBBVVFFZGTYQP-SECBINFHSA-N 0 3 249.276 3.520 20 0 BHADHN CCc1ccc(CNC[C@@H](C)CC(F)(F)F)o1 ZINC000396987915 387528398 /nfs/dbraw/zinc/52/83/98/387528398.db2.gz NHBBVVFFZGTYQP-VIFPVBQESA-N 0 3 249.276 3.520 20 0 BHADHN Cc1cc(C)c(CN[C@@H](C)c2ccccc2)cn1 ZINC000397003140 262831140 /nfs/dbraw/zinc/83/11/40/262831140.db2.gz FXMDLKUCLGKGDY-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cc(C)c(CN[C@H](C)c2ccccc2)cn1 ZINC000397003143 387528686 /nfs/dbraw/zinc/52/86/86/387528686.db2.gz FXMDLKUCLGKGDY-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cc(CNCCSCC(C)C)cs1 ZINC000397200729 387551520 /nfs/dbraw/zinc/55/15/20/387551520.db2.gz QACGJXMABFGOEY-UHFFFAOYSA-N 0 3 243.441 3.535 20 0 BHADHN CC(C)=CCCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000397642431 388487026 /nfs/dbraw/zinc/48/70/26/388487026.db2.gz BFQYWHSMEDDSFZ-GXTWGEPZSA-N 0 3 233.355 3.849 20 0 BHADHN CC(C)=CCCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000397642433 388487167 /nfs/dbraw/zinc/48/71/67/388487167.db2.gz BFQYWHSMEDDSFZ-JSGCOSHPSA-N 0 3 233.355 3.849 20 0 BHADHN CC(C)=CCCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000397642435 388486596 /nfs/dbraw/zinc/48/65/96/388486596.db2.gz BFQYWHSMEDDSFZ-OCCSQVGLSA-N 0 3 233.355 3.849 20 0 BHADHN CC(C)=CCCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000397642437 388486799 /nfs/dbraw/zinc/48/67/99/388486799.db2.gz BFQYWHSMEDDSFZ-TZMCWYRMSA-N 0 3 233.355 3.849 20 0 BHADHN CCOc1ccccc1CNCCC=C(C)C ZINC000397677142 323228543 /nfs/dbraw/zinc/22/85/43/323228543.db2.gz QTVNBKRRSWTAQU-UHFFFAOYSA-N 0 3 233.355 3.531 20 0 BHADHN CC[C@@H](NCCC=C(C)C)c1ccc(F)cn1 ZINC000397680885 324193155 /nfs/dbraw/zinc/19/31/55/324193155.db2.gz SYEJGRUHECZIBB-CYBMUJFWSA-N 0 3 236.334 3.618 20 0 BHADHN CC[C@H](NCCC=C(C)C)c1ccc(F)cn1 ZINC000397680887 324193468 /nfs/dbraw/zinc/19/34/68/324193468.db2.gz SYEJGRUHECZIBB-ZDUSSCGKSA-N 0 3 236.334 3.618 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1Cl ZINC000397696828 388491362 /nfs/dbraw/zinc/49/13/62/388491362.db2.gz FTAQTYOFPKRNFT-WISYIIOYSA-N 0 3 235.758 3.789 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1Cl ZINC000397696829 388491340 /nfs/dbraw/zinc/49/13/40/388491340.db2.gz FTAQTYOFPKRNFT-YFKTTZPYSA-N 0 3 235.758 3.789 20 0 BHADHN CC(C)=CCCNCc1cc(F)c(F)cc1F ZINC000397727602 388494940 /nfs/dbraw/zinc/49/49/40/388494940.db2.gz CZMJWZRJWKHNLE-UHFFFAOYSA-N 0 3 243.272 3.550 20 0 BHADHN CC(C)=CCCN[C@H](C)c1ccc(F)cc1F ZINC000397731293 398122924 /nfs/dbraw/zinc/12/29/24/398122924.db2.gz FPCYAMGFLRQXGI-LLVKDONJSA-N 0 3 239.309 3.972 20 0 BHADHN CC(C)=CCCN[C@@H](C)c1ccc(F)cc1F ZINC000397731294 262931154 /nfs/dbraw/zinc/93/11/54/262931154.db2.gz FPCYAMGFLRQXGI-NSHDSACASA-N 0 3 239.309 3.972 20 0 BHADHN CC(C)=CCCNCc1cc(F)c(F)c(F)c1 ZINC000397734430 398122235 /nfs/dbraw/zinc/12/22/35/398122235.db2.gz HCCCEJXZJBPJGG-UHFFFAOYSA-N 0 3 243.272 3.550 20 0 BHADHN C[C@@H](Nc1cccc(CN(C)C)c1)[C@@H]1CC1(C)C ZINC000397745917 388495844 /nfs/dbraw/zinc/49/58/44/388495844.db2.gz BCMPTDQHSCJDQF-DOMZBBRYSA-N 0 3 246.398 3.595 20 0 BHADHN C[C@@H](Nc1cccc(CN(C)C)c1)[C@H]1CC1(C)C ZINC000397745919 388495713 /nfs/dbraw/zinc/49/57/13/388495713.db2.gz BCMPTDQHSCJDQF-IUODEOHRSA-N 0 3 246.398 3.595 20 0 BHADHN C[C@H](Nc1cccc(CN(C)C)c1)[C@H]1CC1(C)C ZINC000397745920 262931887 /nfs/dbraw/zinc/93/18/87/262931887.db2.gz BCMPTDQHSCJDQF-SWLSCSKDSA-N 0 3 246.398 3.595 20 0 BHADHN C[C@H](Nc1cccc(CN(C)C)c1)[C@@H]1CC1(C)C ZINC000397745922 388495897 /nfs/dbraw/zinc/49/58/97/388495897.db2.gz BCMPTDQHSCJDQF-WFASDCNBSA-N 0 3 246.398 3.595 20 0 BHADHN CC(C)=CCCN[C@H](C)c1cc(F)ccc1F ZINC000397753664 388496153 /nfs/dbraw/zinc/49/61/53/388496153.db2.gz QUMWMDZFOIUEKP-LLVKDONJSA-N 0 3 239.309 3.972 20 0 BHADHN CC(C)=CCCN[C@@H](C)c1cc(F)ccc1F ZINC000397753668 388496764 /nfs/dbraw/zinc/49/67/64/388496764.db2.gz QUMWMDZFOIUEKP-NSHDSACASA-N 0 3 239.309 3.972 20 0 BHADHN CC(C)=CCCN[C@H](C)c1cccc(F)c1F ZINC000397755680 388496343 /nfs/dbraw/zinc/49/63/43/388496343.db2.gz RRYSRAVZVOWHAV-LLVKDONJSA-N 0 3 239.309 3.972 20 0 BHADHN CC(C)=CCCN[C@@H](C)c1cccc(F)c1F ZINC000397755683 388496245 /nfs/dbraw/zinc/49/62/45/388496245.db2.gz RRYSRAVZVOWHAV-NSHDSACASA-N 0 3 239.309 3.972 20 0 BHADHN CC(C)=CCCNCc1ccccc1OC(C)C ZINC000397775224 388498164 /nfs/dbraw/zinc/49/81/64/388498164.db2.gz SDKBYPNVGTYAGW-UHFFFAOYSA-N 0 3 247.382 3.920 20 0 BHADHN CC[C@H](N[C@@H](C)c1nccs1)[C@H]1CC1(C)C ZINC000397781400 388498819 /nfs/dbraw/zinc/49/88/19/388498819.db2.gz JHDFOFCRIASBMP-AXFHLTTASA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](N[C@@H](C)c1nccs1)[C@@H]1CC1(C)C ZINC000397781402 388499027 /nfs/dbraw/zinc/49/90/27/388499027.db2.gz JHDFOFCRIASBMP-DCAQKATOSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](N[C@H](C)c1nccs1)[C@H]1CC1(C)C ZINC000397781404 262933616 /nfs/dbraw/zinc/93/36/16/262933616.db2.gz JHDFOFCRIASBMP-MXWKQRLJSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](N[C@H](C)c1nccs1)[C@@H]1CC1(C)C ZINC000397781406 262933654 /nfs/dbraw/zinc/93/36/54/262933654.db2.gz JHDFOFCRIASBMP-VWYCJHECSA-N 0 3 238.400 3.618 20 0 BHADHN Cc1ccc(CN[C@@H]2C[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000397817576 357710122 /nfs/dbraw/zinc/71/01/22/357710122.db2.gz LQRVAVKUBCQQEA-CLLJXQQHSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1nocc1CNC1CCC2(CCCC2)CC1 ZINC000397844414 488159502 /nfs/dbraw/zinc/15/95/02/488159502.db2.gz DJUNKIQRPRQOBC-UHFFFAOYSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1ncc(CNC(CC(C)C)CC(C)C)o1 ZINC000397872950 386484335 /nfs/dbraw/zinc/48/43/35/386484335.db2.gz ISERJVBWBMIROK-UHFFFAOYSA-N 0 3 238.375 3.533 20 0 BHADHN CC(C)(NCc1cccc(F)c1F)C1CCC1 ZINC000398069704 357833939 /nfs/dbraw/zinc/83/39/39/357833939.db2.gz JHZZFQMVSAPODS-UHFFFAOYSA-N 0 3 239.309 3.633 20 0 BHADHN CC(C)(NCc1ccc(Cl)o1)C1CCC1 ZINC000398073037 324216965 /nfs/dbraw/zinc/21/69/65/324216965.db2.gz ANOVDGKZBWGGRJ-UHFFFAOYSA-N 0 3 227.735 3.601 20 0 BHADHN Cc1nocc1CN[C@H]1CCCC12CCCCC2 ZINC000398116888 488211361 /nfs/dbraw/zinc/21/13/61/488211361.db2.gz VFXQGESJIRDVBK-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1nocc1CN[C@@H]1CCCC12CCCCC2 ZINC000398116889 488211212 /nfs/dbraw/zinc/21/12/12/488211212.db2.gz VFXQGESJIRDVBK-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNC2(C3(C)CC3)CC2)o1 ZINC000398123377 384806226 /nfs/dbraw/zinc/80/62/26/384806226.db2.gz FORJLXNHMDNCQF-AAEUAGOBSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC2(C3(C)CC3)CC2)o1 ZINC000398123921 384807858 /nfs/dbraw/zinc/80/78/58/384807858.db2.gz FORJLXNHMDNCQF-DGCLKSJQSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNC2(C3(C)CC3)CC2)o1 ZINC000398123925 384808537 /nfs/dbraw/zinc/80/85/37/384808537.db2.gz FORJLXNHMDNCQF-WCQYABFASA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC2(C3(C)CC3)CC2)o1 ZINC000398123928 384807196 /nfs/dbraw/zinc/80/71/96/384807196.db2.gz FORJLXNHMDNCQF-YPMHNXCESA-N 0 3 245.366 3.825 20 0 BHADHN Cc1ccc(F)c(CN[C@H](C)CCC2CC2)c1 ZINC000398144334 343071809 /nfs/dbraw/zinc/07/18/09/343071809.db2.gz KSZBYTCZZVVFFV-GFCCVEGCSA-N 0 3 235.346 3.802 20 0 BHADHN Cc1ccc(F)c(CN[C@@H](C)CCC2CC2)c1 ZINC000398144335 343071608 /nfs/dbraw/zinc/07/16/08/343071608.db2.gz KSZBYTCZZVVFFV-LBPRGKRZSA-N 0 3 235.346 3.802 20 0 BHADHN C[C@@H](CCC1CC1)NCc1cccc(F)c1F ZINC000398158361 357850977 /nfs/dbraw/zinc/85/09/77/357850977.db2.gz HDEHJHARALVDDC-JTQLQIEISA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H](CCC1CC1)NCc1cccc(F)c1F ZINC000398158364 357850677 /nfs/dbraw/zinc/85/06/77/357850677.db2.gz HDEHJHARALVDDC-SNVBAGLBSA-N 0 3 239.309 3.633 20 0 BHADHN Cc1ccc(F)c(CNC2(C3(C)CC3)CC2)c1 ZINC000398160089 384821258 /nfs/dbraw/zinc/82/12/58/384821258.db2.gz ZFQYZLUJYKWGCY-UHFFFAOYSA-N 0 3 233.330 3.556 20 0 BHADHN CC1(C2(NCc3cc4ccccc4o3)CC2)CC1 ZINC000398217859 384852225 /nfs/dbraw/zinc/85/22/25/384852225.db2.gz MXSMOWMXPCWHQV-UHFFFAOYSA-N 0 3 241.334 3.855 20 0 BHADHN CC1(C2(NCc3cc(Cl)cs3)CC2)CC1 ZINC000398221797 384854367 /nfs/dbraw/zinc/85/43/67/384854367.db2.gz PLPGOYVWGAFJJD-UHFFFAOYSA-N 0 3 241.787 3.824 20 0 BHADHN FC1(F)CCC[C@H]1NC(C1CCC1)C1CCC1 ZINC000398225779 583125286 /nfs/dbraw/zinc/12/52/86/583125286.db2.gz UUOADQBIXSWHIU-GFCCVEGCSA-N 0 3 243.341 3.733 20 0 BHADHN FC1(F)CCC[C@@H]1NC(C1CCC1)C1CCC1 ZINC000398225781 583124736 /nfs/dbraw/zinc/12/47/36/583124736.db2.gz UUOADQBIXSWHIU-LBPRGKRZSA-N 0 3 243.341 3.733 20 0 BHADHN CC1(C2(NCc3ccc(Cl)s3)CC2)CC1 ZINC000398226046 384857468 /nfs/dbraw/zinc/85/74/68/384857468.db2.gz UGVMLRJRHVYSPT-UHFFFAOYSA-N 0 3 241.787 3.824 20 0 BHADHN CC1(C2(NCc3ccccc3Cl)CC2)CC1 ZINC000398226385 384857168 /nfs/dbraw/zinc/85/71/68/384857168.db2.gz UMOLTXZWLDYCOT-UHFFFAOYSA-N 0 3 235.758 3.762 20 0 BHADHN CC1(C2(NCc3sccc3Cl)CC2)CC1 ZINC000398226504 384856880 /nfs/dbraw/zinc/85/68/80/384856880.db2.gz USLAMAMMYWQRGO-UHFFFAOYSA-N 0 3 241.787 3.824 20 0 BHADHN CC1(C2(NCc3ccsc3Cl)CC2)CC1 ZINC000398229220 384858699 /nfs/dbraw/zinc/85/86/99/384858699.db2.gz WZKCJSWMXLEDSA-UHFFFAOYSA-N 0 3 241.787 3.824 20 0 BHADHN Cc1cccc(CNC2(C3(C)CC3)CC2)c1F ZINC000398256539 384870013 /nfs/dbraw/zinc/87/00/13/384870013.db2.gz QOQCZQHBUXBFBF-UHFFFAOYSA-N 0 3 233.330 3.556 20 0 BHADHN C[C@]1(NCc2cccc(F)c2F)CC=CCC1 ZINC000398265622 384871860 /nfs/dbraw/zinc/87/18/60/384871860.db2.gz ARQPYIOIUDVBII-AWEZNQCLSA-N 0 3 237.293 3.553 20 0 BHADHN C[C@@]1(NCc2cccc(F)c2F)CC=CCC1 ZINC000398265623 384873130 /nfs/dbraw/zinc/87/31/30/384873130.db2.gz ARQPYIOIUDVBII-CQSZACIVSA-N 0 3 237.293 3.553 20 0 BHADHN C[C@]1(NCc2cc(F)ccc2F)CC=CCC1 ZINC000398330213 323003326 /nfs/dbraw/zinc/00/33/26/323003326.db2.gz MSVXCAWFEWTNGZ-AWEZNQCLSA-N 0 3 237.293 3.553 20 0 BHADHN C[C@@]1(NCc2cc(F)ccc2F)CC=CCC1 ZINC000398330214 323003301 /nfs/dbraw/zinc/00/33/01/323003301.db2.gz MSVXCAWFEWTNGZ-CQSZACIVSA-N 0 3 237.293 3.553 20 0 BHADHN C[C@]1(NCc2ccc(F)cc2F)CC=CCC1 ZINC000398338055 357883585 /nfs/dbraw/zinc/88/35/85/357883585.db2.gz QHEGKPZGQOZZSO-AWEZNQCLSA-N 0 3 237.293 3.553 20 0 BHADHN C[C@@]1(NCc2ccc(F)cc2F)CC=CCC1 ZINC000398338056 357883390 /nfs/dbraw/zinc/88/33/90/357883390.db2.gz QHEGKPZGQOZZSO-CQSZACIVSA-N 0 3 237.293 3.553 20 0 BHADHN C[C@@]1(NCc2sccc2Cl)CC=CCC1 ZINC000398340386 385104218 /nfs/dbraw/zinc/10/42/18/385104218.db2.gz RHJYOAVPNONKFC-GFCCVEGCSA-N 0 3 241.787 3.990 20 0 BHADHN C[C@]1(NCc2sccc2Cl)CC=CCC1 ZINC000398340388 385104682 /nfs/dbraw/zinc/10/46/82/385104682.db2.gz RHJYOAVPNONKFC-LBPRGKRZSA-N 0 3 241.787 3.990 20 0 BHADHN C[C@@]1(NCc2ccsc2Cl)CC=CCC1 ZINC000398342110 385129697 /nfs/dbraw/zinc/12/96/97/385129697.db2.gz RXMBUFQKDUTVLP-GFCCVEGCSA-N 0 3 241.787 3.990 20 0 BHADHN C[C@]1(NCc2ccsc2Cl)CC=CCC1 ZINC000398342112 385131784 /nfs/dbraw/zinc/13/17/84/385131784.db2.gz RXMBUFQKDUTVLP-LBPRGKRZSA-N 0 3 241.787 3.990 20 0 BHADHN C[C@@]1(NCc2ccc(Cl)o2)CC=CCC1 ZINC000398394695 386821458 /nfs/dbraw/zinc/82/14/58/386821458.db2.gz YIPPKMZBYNKGAG-GFCCVEGCSA-N 0 3 225.719 3.521 20 0 BHADHN C[C@]1(NCc2ccc(Cl)o2)CC=CCC1 ZINC000398394697 386820315 /nfs/dbraw/zinc/82/03/15/386820315.db2.gz YIPPKMZBYNKGAG-LBPRGKRZSA-N 0 3 225.719 3.521 20 0 BHADHN Cc1scc(CN[C@H](C)c2cccnc2)c1C ZINC000399769336 368562933 /nfs/dbraw/zinc/56/29/33/368562933.db2.gz KOZPMAHBRBMATB-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1scc(CN[C@@H](C)c2cccnc2)c1C ZINC000399769337 368563873 /nfs/dbraw/zinc/56/38/73/368563873.db2.gz KOZPMAHBRBMATB-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN Cc1scc(CNCc2ccc(F)cc2)c1C ZINC000399772770 368574070 /nfs/dbraw/zinc/57/40/70/368574070.db2.gz AFEPREADPOWNPF-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1scc(CN[C@H](C)c2ccncc2)c1C ZINC000399788047 368581522 /nfs/dbraw/zinc/58/15/22/368581522.db2.gz VUOIAYIZQATPQI-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1scc(CN[C@@H](C)c2ccncc2)c1C ZINC000399788049 368581489 /nfs/dbraw/zinc/58/14/89/368581489.db2.gz VUOIAYIZQATPQI-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN Cc1scc(CNCc2ccsc2)c1C ZINC000399790855 368581679 /nfs/dbraw/zinc/58/16/79/368581679.db2.gz ZRZPANURPRVPGG-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN CN(CCC(C)(C)C)Cc1ccc(C#N)cc1F ZINC000399792070 357051179 /nfs/dbraw/zinc/05/11/79/357051179.db2.gz UGZIMCBLECCWRI-UHFFFAOYSA-N 0 3 248.345 3.565 20 0 BHADHN CN(CCC(C)(C)C)Cc1cccc(C#N)c1F ZINC000399795021 357051705 /nfs/dbraw/zinc/05/17/05/357051705.db2.gz WCIIETTUULODDN-UHFFFAOYSA-N 0 3 248.345 3.565 20 0 BHADHN CN(CCC(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC000399806452 357055331 /nfs/dbraw/zinc/05/53/31/357055331.db2.gz DHZQRTDDDNRKCF-UHFFFAOYSA-N 0 3 248.345 3.565 20 0 BHADHN CN(CCC(C)(C)C)Cc1cccc(Cl)n1 ZINC000399834401 711436474 /nfs/dbraw/zinc/43/64/74/711436474.db2.gz IGKJHWRSSPFFHY-UHFFFAOYSA-N 0 3 240.778 3.603 20 0 BHADHN Cc1scc(CNCc2cccc(F)c2)c1C ZINC000399873288 368897962 /nfs/dbraw/zinc/89/79/62/368897962.db2.gz RGWZSDBXLADJGI-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1scc(CNCc2cccs2)c1C ZINC000399939073 368933062 /nfs/dbraw/zinc/93/30/62/368933062.db2.gz SWPIAJHIWFJUJW-UHFFFAOYSA-N 0 3 237.393 3.716 20 0 BHADHN Cc1cc([C@@H](C)NCC2=CCCC2)c(C)o1 ZINC000401010304 385004192 /nfs/dbraw/zinc/00/41/92/385004192.db2.gz ATWWOUAFHNCMNC-LLVKDONJSA-N 0 3 219.328 3.657 20 0 BHADHN Cc1cc([C@H](C)NCC2=CCCC2)c(C)o1 ZINC000401010311 385004805 /nfs/dbraw/zinc/00/48/05/385004805.db2.gz ATWWOUAFHNCMNC-NSHDSACASA-N 0 3 219.328 3.657 20 0 BHADHN Cc1nc(C)c([C@@H](C)NCC2=CCCC2)s1 ZINC000401012564 385003959 /nfs/dbraw/zinc/00/39/59/385003959.db2.gz BECCDWBFYQCTCJ-SECBINFHSA-N 0 3 236.384 3.521 20 0 BHADHN Cc1nc(C)c([C@H](C)NCC2=CCCC2)s1 ZINC000401012579 385004508 /nfs/dbraw/zinc/00/45/08/385004508.db2.gz BECCDWBFYQCTCJ-VIFPVBQESA-N 0 3 236.384 3.521 20 0 BHADHN C[C@@H](NCC1=CCCC1)c1ccc(F)cc1 ZINC000401027043 385036060 /nfs/dbraw/zinc/03/60/60/385036060.db2.gz KNJHCXYSMMKKLL-LLVKDONJSA-N 0 3 219.303 3.587 20 0 BHADHN C[C@H](NCC1=CCCC1)c1ccc(F)cc1 ZINC000401027046 385037250 /nfs/dbraw/zinc/03/72/50/385037250.db2.gz KNJHCXYSMMKKLL-NSHDSACASA-N 0 3 219.303 3.587 20 0 BHADHN C[C@@H](NCC1=CCCC1)c1cccc(F)c1 ZINC000401050546 388376271 /nfs/dbraw/zinc/37/62/71/388376271.db2.gz WEDXKQFWLOEMEM-LLVKDONJSA-N 0 3 219.303 3.587 20 0 BHADHN C[C@H](NCC1=CCCC1)c1cccc(F)c1 ZINC000401050549 383845839 /nfs/dbraw/zinc/84/58/39/383845839.db2.gz WEDXKQFWLOEMEM-NSHDSACASA-N 0 3 219.303 3.587 20 0 BHADHN C[C@@H](NCC1=CCCC1)c1ccccc1F ZINC000401057820 383845949 /nfs/dbraw/zinc/84/59/49/383845949.db2.gz ZLAGZYAJSOOJDK-LLVKDONJSA-N 0 3 219.303 3.587 20 0 BHADHN C[C@H](NCC1=CCCC1)c1ccccc1F ZINC000401057821 383845458 /nfs/dbraw/zinc/84/54/58/383845458.db2.gz ZLAGZYAJSOOJDK-NSHDSACASA-N 0 3 219.303 3.587 20 0 BHADHN Clc1ccc(CNCC2=CCCC2)s1 ZINC000401096045 488007719 /nfs/dbraw/zinc/00/77/19/488007719.db2.gz DAUFSNJQCBGWSY-UHFFFAOYSA-N 0 3 227.760 3.601 20 0 BHADHN c1cc2c(s1)CCC[C@H]2NCC1=CCCC1 ZINC000401113482 488008727 /nfs/dbraw/zinc/00/87/27/488008727.db2.gz KHCLVEVUKJLILO-CYBMUJFWSA-N 0 3 233.380 3.825 20 0 BHADHN c1cc2c(s1)CCC[C@@H]2NCC1=CCCC1 ZINC000401113483 488009174 /nfs/dbraw/zinc/00/91/74/488009174.db2.gz KHCLVEVUKJLILO-ZDUSSCGKSA-N 0 3 233.380 3.825 20 0 BHADHN C[C@H](NCC1=CCCC1)c1cccs1 ZINC000401128616 388376196 /nfs/dbraw/zinc/37/61/96/388376196.db2.gz RHXNOBDZUKIIKI-JTQLQIEISA-N 0 3 207.342 3.509 20 0 BHADHN C[C@@H](NCC1=CCCC1)c1cccs1 ZINC000401128617 383966809 /nfs/dbraw/zinc/96/68/09/383966809.db2.gz RHXNOBDZUKIIKI-SNVBAGLBSA-N 0 3 207.342 3.509 20 0 BHADHN C[C@H](NCC1=CCCC1)c1ccsc1 ZINC000401142121 383987260 /nfs/dbraw/zinc/98/72/60/383987260.db2.gz YSKUEWHOVWBPOK-JTQLQIEISA-N 0 3 207.342 3.509 20 0 BHADHN C[C@@H](NCC1=CCCC1)c1ccsc1 ZINC000401142122 383986222 /nfs/dbraw/zinc/98/62/22/383986222.db2.gz YSKUEWHOVWBPOK-SNVBAGLBSA-N 0 3 207.342 3.509 20 0 BHADHN CC(C)c1ccc([C@H](C)N[C@H]2CO[C@H](C)C2)cc1 ZINC000401959027 384338552 /nfs/dbraw/zinc/33/85/52/384338552.db2.gz STQVZWVUMSPTPL-DVOMOZLQSA-N 0 3 247.382 3.638 20 0 BHADHN CC(C)c1ccc([C@@H](C)N[C@@H]2CO[C@H](C)C2)cc1 ZINC000401959028 384337584 /nfs/dbraw/zinc/33/75/84/384337584.db2.gz STQVZWVUMSPTPL-IOASZLSFSA-N 0 3 247.382 3.638 20 0 BHADHN CC(C)c1ccc([C@H](C)N[C@@H]2CO[C@H](C)C2)cc1 ZINC000401959029 384337203 /nfs/dbraw/zinc/33/72/03/384337203.db2.gz STQVZWVUMSPTPL-WWGRRREGSA-N 0 3 247.382 3.638 20 0 BHADHN CC(C)c1ccc([C@@H](C)N[C@H]2CO[C@H](C)C2)cc1 ZINC000401959030 384337689 /nfs/dbraw/zinc/33/76/89/384337689.db2.gz STQVZWVUMSPTPL-XJKCOSOUSA-N 0 3 247.382 3.638 20 0 BHADHN CC[C@H](CNCc1ccc(C)o1)CC(F)(F)F ZINC000402547812 529361470 /nfs/dbraw/zinc/36/14/70/529361470.db2.gz GMYXEZVIAIENCQ-JTQLQIEISA-N 0 3 249.276 3.656 20 0 BHADHN CC[C@@H](CNCc1ccc(C)o1)CC(F)(F)F ZINC000402547845 529490100 /nfs/dbraw/zinc/49/01/00/529490100.db2.gz GMYXEZVIAIENCQ-SNVBAGLBSA-N 0 3 249.276 3.656 20 0 BHADHN CC[C@@H](CN[C@H](C)c1ccco1)CC(F)(F)F ZINC000402572910 529495795 /nfs/dbraw/zinc/49/57/95/529495795.db2.gz RHUPZAZYGSEAJW-NXEZZACHSA-N 0 3 249.276 3.909 20 0 BHADHN CC[C@H](CN[C@@H](C)c1ccco1)CC(F)(F)F ZINC000402572913 529368874 /nfs/dbraw/zinc/36/88/74/529368874.db2.gz RHUPZAZYGSEAJW-UWVGGRQHSA-N 0 3 249.276 3.909 20 0 BHADHN CC[C@@H](CN[C@@H](C)c1ccco1)CC(F)(F)F ZINC000402572916 529495081 /nfs/dbraw/zinc/49/50/81/529495081.db2.gz RHUPZAZYGSEAJW-VHSXEESVSA-N 0 3 249.276 3.909 20 0 BHADHN CC[C@H](CN[C@H](C)c1ccco1)CC(F)(F)F ZINC000402572921 529370801 /nfs/dbraw/zinc/37/08/01/529370801.db2.gz RHUPZAZYGSEAJW-ZJUUUORDSA-N 0 3 249.276 3.909 20 0 BHADHN CC[C@H](CNCc1occc1C)CC(F)(F)F ZINC000402588523 529362387 /nfs/dbraw/zinc/36/23/87/529362387.db2.gz ZWJXCBZMMIUOFX-JTQLQIEISA-N 0 3 249.276 3.656 20 0 BHADHN CC[C@@H](CNCc1occc1C)CC(F)(F)F ZINC000402588524 529490977 /nfs/dbraw/zinc/49/09/77/529490977.db2.gz ZWJXCBZMMIUOFX-SNVBAGLBSA-N 0 3 249.276 3.656 20 0 BHADHN Clc1sccc1CN[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403504824 384770151 /nfs/dbraw/zinc/77/01/51/384770151.db2.gz ZQOYNBLFYKXZQD-FBIMIBRVSA-N 0 3 241.787 3.680 20 0 BHADHN Clc1sccc1CN[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403504826 384769495 /nfs/dbraw/zinc/76/94/95/384769495.db2.gz ZQOYNBLFYKXZQD-INTQDDNPSA-N 0 3 241.787 3.680 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000403513878 384800580 /nfs/dbraw/zinc/80/05/80/384800580.db2.gz JEKOTDRCDXSHQF-HVNMYJMUSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000403513879 384800968 /nfs/dbraw/zinc/80/09/68/384800968.db2.gz JEKOTDRCDXSHQF-KDBYPZKRSA-N 0 3 245.366 3.681 20 0 BHADHN c1cc(CNCCCC2CCCCC2)sn1 ZINC000404326346 384971037 /nfs/dbraw/zinc/97/10/37/384971037.db2.gz MTEDMQZFDIRSHP-UHFFFAOYSA-N 0 3 238.400 3.593 20 0 BHADHN CC1(CNCc2ccns2)CCCCCC1 ZINC000404339039 372081790 /nfs/dbraw/zinc/08/17/90/372081790.db2.gz RWVNVJFWOLQBSK-UHFFFAOYSA-N 0 3 238.400 3.593 20 0 BHADHN CCCC1CCC(NCc2ccns2)CC1 ZINC000404416578 351431556 /nfs/dbraw/zinc/43/15/56/351431556.db2.gz DUKWAEUFNPMXLR-UHFFFAOYSA-N 0 3 238.400 3.592 20 0 BHADHN CC(C)[C@H](NCc1ccns1)c1ccccc1 ZINC000404451577 385884919 /nfs/dbraw/zinc/88/49/19/385884919.db2.gz GSQKGHRMUBJRCG-AWEZNQCLSA-N 0 3 246.379 3.630 20 0 BHADHN CC(C)[C@@H](NCc1ccns1)c1ccccc1 ZINC000404451580 385884801 /nfs/dbraw/zinc/88/48/01/385884801.db2.gz GSQKGHRMUBJRCG-CQSZACIVSA-N 0 3 246.379 3.630 20 0 BHADHN CC[C@H](NCc1cc(C)ns1)c1ccccc1 ZINC000404457626 385004001 /nfs/dbraw/zinc/00/40/01/385004001.db2.gz XHZHCOCNELIODJ-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1cc(C)ns1)c1ccccc1 ZINC000404457627 385003325 /nfs/dbraw/zinc/00/33/25/385003325.db2.gz XHZHCOCNELIODJ-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN CC(C)CNCc1ccc(-c2ccco2)cc1F ZINC000404811199 369437248 /nfs/dbraw/zinc/43/72/48/369437248.db2.gz GRWXMLHKEDFFBM-UHFFFAOYSA-N 0 3 247.313 3.831 20 0 BHADHN CC[C@@H](C)CN(C)Cc1ccc(Cl)s1 ZINC000409444289 385078005 /nfs/dbraw/zinc/07/80/05/385078005.db2.gz YZZIHMUHPGKKDV-SECBINFHSA-N 0 3 231.792 3.879 20 0 BHADHN CC[C@H](C)CN(C)Cc1ccc(Cl)s1 ZINC000409444290 191010425 /nfs/dbraw/zinc/01/04/25/191010425.db2.gz YZZIHMUHPGKKDV-VIFPVBQESA-N 0 3 231.792 3.879 20 0 BHADHN CCC(CC)CN(C)Cc1cc(Cl)cn1C ZINC000409444491 191012521 /nfs/dbraw/zinc/01/25/21/191012521.db2.gz AAEROVUFPNMBQI-UHFFFAOYSA-N 0 3 242.794 3.547 20 0 BHADHN CCC(CC)CN1CC=C(C(F)(F)F)CC1 ZINC000409444499 191011701 /nfs/dbraw/zinc/01/17/01/191011701.db2.gz LFDPIYHXRNYAFP-UHFFFAOYSA-N 0 3 235.293 3.617 20 0 BHADHN CCC(CC)CN(C)Cc1ccccc1OC ZINC000409444888 191010911 /nfs/dbraw/zinc/01/09/11/191010911.db2.gz JQWURGJKIFVGNQ-UHFFFAOYSA-N 0 3 235.371 3.563 20 0 BHADHN CCOc1ccccc1CN(C)C[C@H](C)CC ZINC000409444957 191015460 /nfs/dbraw/zinc/01/54/60/191015460.db2.gz YHFORMBDCJKERA-CYBMUJFWSA-N 0 3 235.371 3.563 20 0 BHADHN CCOc1ccccc1CN(C)C[C@@H](C)CC ZINC000409444958 191014744 /nfs/dbraw/zinc/01/47/44/191014744.db2.gz YHFORMBDCJKERA-ZDUSSCGKSA-N 0 3 235.371 3.563 20 0 BHADHN CC(C)SCCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000409445096 191015430 /nfs/dbraw/zinc/01/54/30/191015430.db2.gz VWXVJOZNWGBHHJ-DZGCQCFKSA-N 0 3 249.423 3.821 20 0 BHADHN CC(C)SCCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000409445097 191015528 /nfs/dbraw/zinc/01/55/28/191015528.db2.gz VWXVJOZNWGBHHJ-HIFRSBDPSA-N 0 3 249.423 3.821 20 0 BHADHN CC(C)SCCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000409445098 191014231 /nfs/dbraw/zinc/01/42/31/191014231.db2.gz VWXVJOZNWGBHHJ-UKRRQHHQSA-N 0 3 249.423 3.821 20 0 BHADHN CC(C)SCCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000409445099 191015044 /nfs/dbraw/zinc/01/50/44/191015044.db2.gz VWXVJOZNWGBHHJ-ZFWWWQNUSA-N 0 3 249.423 3.821 20 0 BHADHN CC[C@@H](C)CN(Cc1ccccc1OC)C1CC1 ZINC000409445380 191013503 /nfs/dbraw/zinc/01/35/03/191013503.db2.gz WTNCBJKWHXCXJI-CYBMUJFWSA-N 0 3 247.382 3.706 20 0 BHADHN CC[C@H](C)CN(Cc1ccccc1OC)C1CC1 ZINC000409445381 191013375 /nfs/dbraw/zinc/01/33/75/191013375.db2.gz WTNCBJKWHXCXJI-ZDUSSCGKSA-N 0 3 247.382 3.706 20 0 BHADHN CC1=CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000409445486 191014899 /nfs/dbraw/zinc/01/48/99/191014899.db2.gz XKVJXCWCTJDQHR-HNNXBMFYSA-N 0 3 249.398 3.520 20 0 BHADHN CC1=CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000409445487 191014698 /nfs/dbraw/zinc/01/46/98/191014698.db2.gz XKVJXCWCTJDQHR-OAHLLOKOSA-N 0 3 249.398 3.520 20 0 BHADHN CC1=CCCN(C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000409445590 191014924 /nfs/dbraw/zinc/01/49/24/191014924.db2.gz SBFHJUVBROFYQN-HNNXBMFYSA-N 0 3 249.398 3.520 20 0 BHADHN CC1=CCCN(C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000409445591 191015272 /nfs/dbraw/zinc/01/52/72/191015272.db2.gz SBFHJUVBROFYQN-OAHLLOKOSA-N 0 3 249.398 3.520 20 0 BHADHN C[C@H]1CCCN(CCc2ccccc2Cl)C1 ZINC000409545645 383862370 /nfs/dbraw/zinc/86/23/70/383862370.db2.gz QZQOCTVZOMQBOM-LBPRGKRZSA-N 0 3 237.774 3.614 20 0 BHADHN CC(C)c1ccc(CCNCc2ccoc2)cc1 ZINC000409710589 191018777 /nfs/dbraw/zinc/01/87/77/191018777.db2.gz GWIJKZGPVCBAFP-UHFFFAOYSA-N 0 3 243.350 3.735 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@H]1C)c1nc2ccccc2o1 ZINC000409856639 191020060 /nfs/dbraw/zinc/02/00/60/191020060.db2.gz FPLUSWCZJUROKW-GRYCIOLGSA-N 0 3 244.338 3.667 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1nc2ccccc2o1 ZINC000409856640 191019309 /nfs/dbraw/zinc/01/93/09/191019309.db2.gz FPLUSWCZJUROKW-SDDRHHMPSA-N 0 3 244.338 3.667 20 0 BHADHN C[C@H](N[C@H]1CCC[C@@H]1C)c1nc2ccccc2o1 ZINC000409856641 191019571 /nfs/dbraw/zinc/01/95/71/191019571.db2.gz FPLUSWCZJUROKW-SRVKXCTJSA-N 0 3 244.338 3.667 20 0 BHADHN C[C@H](N[C@H]1CCC[C@H]1C)c1nc2ccccc2o1 ZINC000409856642 191019791 /nfs/dbraw/zinc/01/97/91/191019791.db2.gz FPLUSWCZJUROKW-WOPDTQHZSA-N 0 3 244.338 3.667 20 0 BHADHN C[C@@H]1CCCCN1CCc1ccccc1Cl ZINC000409877246 191019555 /nfs/dbraw/zinc/01/95/55/191019555.db2.gz QYFIXNULRPEXRR-GFCCVEGCSA-N 0 3 237.774 3.757 20 0 BHADHN CC(C)n1nccc1CN(C)C1CCCCCC1 ZINC000410305162 191028142 /nfs/dbraw/zinc/02/81/42/191028142.db2.gz HBUXMWWKYBMXRA-UHFFFAOYSA-N 0 3 249.402 3.619 20 0 BHADHN CN(CCCC(C)(C)C)CCC(F)(F)F ZINC000410343680 191027963 /nfs/dbraw/zinc/02/79/63/191027963.db2.gz HATAZISSNUXZIM-UHFFFAOYSA-N 0 3 225.298 3.697 20 0 BHADHN CC(C)C[C@H](C)CN(C)CCC(F)(F)F ZINC000410344956 191028344 /nfs/dbraw/zinc/02/83/44/191028344.db2.gz NQLQSPROTSNPEY-JTQLQIEISA-N 0 3 225.298 3.553 20 0 BHADHN CC(C)C[C@@H](C)CN(C)CCC(F)(F)F ZINC000410344957 191027150 /nfs/dbraw/zinc/02/71/50/191027150.db2.gz NQLQSPROTSNPEY-SNVBAGLBSA-N 0 3 225.298 3.553 20 0 BHADHN CC(C)C[C@@H](C)CN1Cc2ccccc2C1 ZINC000410367349 191029847 /nfs/dbraw/zinc/02/98/47/191029847.db2.gz RDJOJIIBXQGZQL-CYBMUJFWSA-N 0 3 217.356 3.684 20 0 BHADHN CC(C)C[C@H](C)CN1Cc2ccccc2C1 ZINC000410367350 191028858 /nfs/dbraw/zinc/02/88/58/191028858.db2.gz RDJOJIIBXQGZQL-ZDUSSCGKSA-N 0 3 217.356 3.684 20 0 BHADHN Cc1ncsc1CN(C)C[C@H](C)CC(C)C ZINC000410367409 191029191 /nfs/dbraw/zinc/02/91/91/191029191.db2.gz JWEJZFXLCBSCJO-LLVKDONJSA-N 0 3 240.416 3.566 20 0 BHADHN Cc1ncsc1CN(C)C[C@@H](C)CC(C)C ZINC000410367412 191029502 /nfs/dbraw/zinc/02/95/02/191029502.db2.gz JWEJZFXLCBSCJO-NSHDSACASA-N 0 3 240.416 3.566 20 0 BHADHN CCCCN(C)Cc1cnc2ccc(C)cc2c1 ZINC000411122507 191159896 /nfs/dbraw/zinc/15/98/96/191159896.db2.gz AFLORZOSQSCTJD-UHFFFAOYSA-N 0 3 242.366 3.775 20 0 BHADHN Cc1ccc2ncc(CN3CCCCC3)cc2c1 ZINC000411159898 191163236 /nfs/dbraw/zinc/16/32/36/191163236.db2.gz SDNMCXKFGOLZNI-UHFFFAOYSA-N 0 3 240.350 3.529 20 0 BHADHN CCN(Cc1cnc2ccc(C)cc2c1)C1CC1 ZINC000411166276 191165826 /nfs/dbraw/zinc/16/58/26/191165826.db2.gz JZIIYFRGBGOPOB-UHFFFAOYSA-N 0 3 240.350 3.528 20 0 BHADHN Cc1ccc2ncc(CN(C)C3CCC3)cc2c1 ZINC000411294553 191175330 /nfs/dbraw/zinc/17/53/30/191175330.db2.gz MZKOIRWUSJLGBM-UHFFFAOYSA-N 0 3 240.350 3.528 20 0 BHADHN Fc1cccc([C@@H]2C[C@@H]2N2CCC3(CCC3)C2)c1 ZINC000411320991 191177023 /nfs/dbraw/zinc/17/70/23/191177023.db2.gz TVIPVXAVDDBWQP-GJZGRUSLSA-N 0 3 245.341 3.558 20 0 BHADHN Fc1cccc([C@@H]2C[C@H]2N2CCC3(CCC3)C2)c1 ZINC000411320994 191177138 /nfs/dbraw/zinc/17/71/38/191177138.db2.gz TVIPVXAVDDBWQP-LSDHHAIUSA-N 0 3 245.341 3.558 20 0 BHADHN Fc1cccc([C@@H]2C[C@@H]2N2CCCC3(CC3)C2)c1 ZINC000411547028 191192262 /nfs/dbraw/zinc/19/22/62/191192262.db2.gz BUOWPHKGCPGOPI-GJZGRUSLSA-N 0 3 245.341 3.558 20 0 BHADHN Fc1cccc([C@@H]2C[C@H]2N2CCCC3(CC3)C2)c1 ZINC000411547034 191192796 /nfs/dbraw/zinc/19/27/96/191192796.db2.gz BUOWPHKGCPGOPI-LSDHHAIUSA-N 0 3 245.341 3.558 20 0 BHADHN CCN(CCSC(C)C)Cc1occc1C ZINC000412027647 191240050 /nfs/dbraw/zinc/24/00/50/191240050.db2.gz QDRQYWHXQAVAQK-UHFFFAOYSA-N 0 3 241.400 3.552 20 0 BHADHN CCN(CCCCCF)Cc1occc1C ZINC000412029345 191240897 /nfs/dbraw/zinc/24/08/97/191240897.db2.gz UBMPPZKRXCZKDK-UHFFFAOYSA-N 0 3 227.323 3.550 20 0 BHADHN CCN(Cc1occc1C)[C@@H]1C=CCCC1 ZINC000412030853 191241093 /nfs/dbraw/zinc/24/10/93/191241093.db2.gz WXDJLMCOCOVNME-CYBMUJFWSA-N 0 3 219.328 3.519 20 0 BHADHN CCN(Cc1occc1C)[C@H]1C=CCCC1 ZINC000412030857 191242248 /nfs/dbraw/zinc/24/22/48/191242248.db2.gz WXDJLMCOCOVNME-ZDUSSCGKSA-N 0 3 219.328 3.519 20 0 BHADHN CCc1ccc(CN(CC)C2CC(C)(C)C2)nc1 ZINC000412035032 191248396 /nfs/dbraw/zinc/24/83/96/191248396.db2.gz KIVCKYFKENDCEY-UHFFFAOYSA-N 0 3 246.398 3.655 20 0 BHADHN CC(=O)c1cccc(CN2CC(C)(C)C[C@H]2C)c1 ZINC000412045198 191242945 /nfs/dbraw/zinc/24/29/45/191242945.db2.gz PLUGCZQCAYHBPT-GFCCVEGCSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN2CC(C)(C)C[C@@H]2C)c1 ZINC000412045200 191244162 /nfs/dbraw/zinc/24/41/62/191244162.db2.gz PLUGCZQCAYHBPT-LBPRGKRZSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN2CC(C)(C)C[C@H]2C)cc1 ZINC000412049762 191244708 /nfs/dbraw/zinc/24/47/08/191244708.db2.gz WXHDEUZAQIEICG-GFCCVEGCSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN2CC(C)(C)C[C@@H]2C)cc1 ZINC000412049764 191244872 /nfs/dbraw/zinc/24/48/72/191244872.db2.gz WXHDEUZAQIEICG-LBPRGKRZSA-N 0 3 245.366 3.510 20 0 BHADHN CSCc1cccc(CN2CCCCC2)c1 ZINC000412990984 191331321 /nfs/dbraw/zinc/33/13/21/191331321.db2.gz JCAYUTUPOBLBQA-UHFFFAOYSA-N 0 3 235.396 3.536 20 0 BHADHN C[C@@H](N[C@@H](C)[C@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000414100859 385964690 /nfs/dbraw/zinc/96/46/90/385964690.db2.gz VZTXAQYDMVIXIE-DNJQJEMRSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@H](N[C@@H](C)[C@@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000414100861 385964295 /nfs/dbraw/zinc/96/42/95/385964295.db2.gz VZTXAQYDMVIXIE-KEPMVKOISA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@@H](C)[C@@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000414100863 191432421 /nfs/dbraw/zinc/43/24/21/191432421.db2.gz VZTXAQYDMVIXIE-ORXSELOVSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@H](C)[C@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000414100866 385964847 /nfs/dbraw/zinc/96/48/47/385964847.db2.gz VZTXAQYDMVIXIE-PRFIWBCESA-N 0 3 239.309 3.660 20 0 BHADHN C[C@H](N[C@@H](C)[C@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000414100868 385964652 /nfs/dbraw/zinc/96/46/52/385964652.db2.gz VZTXAQYDMVIXIE-QYTUQVAYSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@H](C)[C@@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000414100870 385963881 /nfs/dbraw/zinc/96/38/81/385963881.db2.gz VZTXAQYDMVIXIE-VWMGYNLJSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccc(F)c1F)[C@@H]1C[C@H]1C ZINC000414101536 191432540 /nfs/dbraw/zinc/43/25/40/191432540.db2.gz MCNGQWJSNBOTCM-DTHBNOIPSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccc(F)c1F)[C@H]1C[C@@H]1C ZINC000414101538 385964797 /nfs/dbraw/zinc/96/47/97/385964797.db2.gz MCNGQWJSNBOTCM-GUDRVLHUSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccc(F)c1F)[C@H]1C[C@H]1C ZINC000414101540 385964438 /nfs/dbraw/zinc/96/44/38/385964438.db2.gz MCNGQWJSNBOTCM-KLBPJQLPSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccc(F)c1F)[C@@H]1C[C@@H]1C ZINC000414101542 385963850 /nfs/dbraw/zinc/96/38/50/385963850.db2.gz MCNGQWJSNBOTCM-UXCLJVHYSA-N 0 3 239.309 3.660 20 0 BHADHN FCCN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414123824 385971795 /nfs/dbraw/zinc/97/17/95/385971795.db2.gz BPVAPNZFUWKZTP-AAEUAGOBSA-N 0 3 241.737 3.535 20 0 BHADHN FCCN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414123827 385972858 /nfs/dbraw/zinc/97/28/58/385972858.db2.gz BPVAPNZFUWKZTP-DGCLKSJQSA-N 0 3 241.737 3.535 20 0 BHADHN FCCN[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414123831 385971718 /nfs/dbraw/zinc/97/17/18/385971718.db2.gz BPVAPNZFUWKZTP-WCQYABFASA-N 0 3 241.737 3.535 20 0 BHADHN FCCN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414123836 385972733 /nfs/dbraw/zinc/97/27/33/385972733.db2.gz BPVAPNZFUWKZTP-YPMHNXCESA-N 0 3 241.737 3.535 20 0 BHADHN COc1ccc([C@@H](C)NCC=C(C)C)c(C)c1 ZINC000414130799 385978252 /nfs/dbraw/zinc/97/82/52/385978252.db2.gz JWSGIQHEVMOSBO-CYBMUJFWSA-N 0 3 233.355 3.620 20 0 BHADHN COc1ccc([C@H](C)NCC=C(C)C)c(C)c1 ZINC000414130800 385979310 /nfs/dbraw/zinc/97/93/10/385979310.db2.gz JWSGIQHEVMOSBO-ZDUSSCGKSA-N 0 3 233.355 3.620 20 0 BHADHN Cc1ccc(CN[C@H]2CC[C@H]2C(C)(C)C)nc1C ZINC000414161324 386045693 /nfs/dbraw/zinc/04/56/93/386045693.db2.gz FFRHXRUBWNXFCO-CABCVRRESA-N 0 3 246.398 3.613 20 0 BHADHN Cc1ccc(CN[C@H]2CC[C@@H]2C(C)(C)C)nc1C ZINC000414161325 386044856 /nfs/dbraw/zinc/04/48/56/386044856.db2.gz FFRHXRUBWNXFCO-GJZGRUSLSA-N 0 3 246.398 3.613 20 0 BHADHN Cc1ccc(CN[C@@H]2CC[C@H]2C(C)(C)C)nc1C ZINC000414161326 386045347 /nfs/dbraw/zinc/04/53/47/386045347.db2.gz FFRHXRUBWNXFCO-HUUCEWRRSA-N 0 3 246.398 3.613 20 0 BHADHN Cc1ccc(CN[C@@H]2CC[C@@H]2C(C)(C)C)nc1C ZINC000414161327 386046476 /nfs/dbraw/zinc/04/64/76/386046476.db2.gz FFRHXRUBWNXFCO-LSDHHAIUSA-N 0 3 246.398 3.613 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1c1ccccc1F)c1ccco1 ZINC000414165557 386048162 /nfs/dbraw/zinc/04/81/62/386048162.db2.gz CJRFJZKJAAAIOS-SCDSUCTJSA-N 0 3 245.297 3.625 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1c1ccccc1F)c1ccco1 ZINC000414165559 386048840 /nfs/dbraw/zinc/04/88/40/386048840.db2.gz CJRFJZKJAAAIOS-VHRBIJSZSA-N 0 3 245.297 3.625 20 0 BHADHN Cc1ccc(CN[C@H]2CCC23CCCC3)nc1C ZINC000414168644 386015564 /nfs/dbraw/zinc/01/55/64/386015564.db2.gz QWBWASVDEYRNHY-HNNXBMFYSA-N 0 3 244.382 3.511 20 0 BHADHN Cc1ccc(CN[C@@H]2CCC23CCCC3)nc1C ZINC000414168652 386015872 /nfs/dbraw/zinc/01/58/72/386015872.db2.gz QWBWASVDEYRNHY-OAHLLOKOSA-N 0 3 244.382 3.511 20 0 BHADHN C[C@@H](NC1(C2CCC2)CCC1)c1ccco1 ZINC000414170128 386016137 /nfs/dbraw/zinc/01/61/37/386016137.db2.gz BRVKXTZBUFMIHJ-LLVKDONJSA-N 0 3 219.328 3.653 20 0 BHADHN C[C@H](NC1(C2CCC2)CCC1)c1ccco1 ZINC000414170129 386016246 /nfs/dbraw/zinc/01/62/46/386016246.db2.gz BRVKXTZBUFMIHJ-NSHDSACASA-N 0 3 219.328 3.653 20 0 BHADHN C[C@@H](NC1(C2CCC2)CCC1)c1ccc(F)cn1 ZINC000414171277 386017415 /nfs/dbraw/zinc/01/74/15/386017415.db2.gz DBOJCXRLUUKJQB-LLVKDONJSA-N 0 3 248.345 3.594 20 0 BHADHN C[C@H](NC1(C2CCC2)CCC1)c1ccc(F)cn1 ZINC000414171278 386016959 /nfs/dbraw/zinc/01/69/59/386016959.db2.gz DBOJCXRLUUKJQB-NSHDSACASA-N 0 3 248.345 3.594 20 0 BHADHN CCC[C@@H](N[C@@H]1C[C@H]1CC(C)C)c1ccccn1 ZINC000414177363 386020544 /nfs/dbraw/zinc/02/05/44/386020544.db2.gz IXANHZNHPXZYRZ-FVQBIDKESA-N 0 3 246.398 3.947 20 0 BHADHN CCC[C@H](N[C@@H]1C[C@H]1CC(C)C)c1ccccn1 ZINC000414177365 386019888 /nfs/dbraw/zinc/01/98/88/386019888.db2.gz IXANHZNHPXZYRZ-VNQPRFMTSA-N 0 3 246.398 3.947 20 0 BHADHN C[C@H](NC1(C2CCC2)CCC1)c1nccs1 ZINC000414183220 386024969 /nfs/dbraw/zinc/02/49/69/386024969.db2.gz NUOPHFIUSMPGOF-JTQLQIEISA-N 0 3 236.384 3.517 20 0 BHADHN C[C@@H](NC1(C2CCC2)CCC1)c1nccs1 ZINC000414183221 386024774 /nfs/dbraw/zinc/02/47/74/386024774.db2.gz NUOPHFIUSMPGOF-SNVBAGLBSA-N 0 3 236.384 3.517 20 0 BHADHN CCc1cccnc1[C@@H](C)N[C@@H]1C[C@H]1CC(C)C ZINC000414184999 386024576 /nfs/dbraw/zinc/02/45/76/386024576.db2.gz PAVFSBDDWDJXRH-BPLDGKMQSA-N 0 3 246.398 3.729 20 0 BHADHN CCc1cccnc1[C@H](C)N[C@@H]1C[C@H]1CC(C)C ZINC000414185004 386026121 /nfs/dbraw/zinc/02/61/21/386026121.db2.gz PAVFSBDDWDJXRH-NWANDNLSSA-N 0 3 246.398 3.729 20 0 BHADHN C[C@@H](NC1(C2CCC2)CCC1)c1ccncc1F ZINC000414189890 386030913 /nfs/dbraw/zinc/03/09/13/386030913.db2.gz RMZNMXCCGQLDGC-LLVKDONJSA-N 0 3 248.345 3.594 20 0 BHADHN C[C@H](NC1(C2CCC2)CCC1)c1ccncc1F ZINC000414189894 386030397 /nfs/dbraw/zinc/03/03/97/386030397.db2.gz RMZNMXCCGQLDGC-NSHDSACASA-N 0 3 248.345 3.594 20 0 BHADHN CCC[C@@H](N[C@@H](C)c1cnc(C)cn1)C(C)(C)C ZINC000414194480 386033405 /nfs/dbraw/zinc/03/34/05/386033405.db2.gz VNLCANRHHXRTQZ-GXTWGEPZSA-N 0 3 249.402 3.650 20 0 BHADHN CCC[C@H](N[C@@H](C)c1cnc(C)cn1)C(C)(C)C ZINC000414194489 386031738 /nfs/dbraw/zinc/03/17/38/386031738.db2.gz VNLCANRHHXRTQZ-JSGCOSHPSA-N 0 3 249.402 3.650 20 0 BHADHN CCC[C@H](N[C@H](C)c1cnc(C)cn1)C(C)(C)C ZINC000414194492 386032183 /nfs/dbraw/zinc/03/21/83/386032183.db2.gz VNLCANRHHXRTQZ-OCCSQVGLSA-N 0 3 249.402 3.650 20 0 BHADHN CCC[C@@H](N[C@H](C)c1cnc(C)cn1)C(C)(C)C ZINC000414194493 386032281 /nfs/dbraw/zinc/03/22/81/386032281.db2.gz VNLCANRHHXRTQZ-TZMCWYRMSA-N 0 3 249.402 3.650 20 0 BHADHN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1cnn(C(C)C)c1 ZINC000414198407 386035955 /nfs/dbraw/zinc/03/59/55/386035955.db2.gz ZLCSSBIYXPQTHF-GZBFAFLISA-N 0 3 249.402 3.549 20 0 BHADHN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1cnn(C(C)C)c1 ZINC000414198409 386034858 /nfs/dbraw/zinc/03/48/58/386034858.db2.gz ZLCSSBIYXPQTHF-UMVBOHGHSA-N 0 3 249.402 3.549 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](C)[C@H](C)C1)c1nccs1 ZINC000414218169 386072679 /nfs/dbraw/zinc/07/26/79/386072679.db2.gz DHLJZBKYGVPILZ-WYUUTHIRSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@@H](N[C@@H](C)c1nccs1)[C@@H]1CC1(C)C ZINC000414220424 386072057 /nfs/dbraw/zinc/07/20/57/386072057.db2.gz JHDFOFCRIASBMP-GARJFASQSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@@H](N[C@@H](C)c1nccs1)[C@H]1CC1(C)C ZINC000414220428 386073415 /nfs/dbraw/zinc/07/34/15/386073415.db2.gz JHDFOFCRIASBMP-HBNTYKKESA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1C[C@H](C)CC[C@H]1C)c1nccs1 ZINC000414228234 191473402 /nfs/dbraw/zinc/47/34/02/191473402.db2.gz XPOWOMMLZUIRSI-WYUUTHIRSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@@H](NCC1(C)CCC(C)(C)CC1)c1ncc[nH]1 ZINC000414251397 487799995 /nfs/dbraw/zinc/79/99/95/487799995.db2.gz SACATWJWPOBJHU-GFCCVEGCSA-N 0 3 249.402 3.667 20 0 BHADHN C[C@H](NCC1(C)CCC(C)(C)CC1)c1ncc[nH]1 ZINC000414251399 487800143 /nfs/dbraw/zinc/80/01/43/487800143.db2.gz SACATWJWPOBJHU-LBPRGKRZSA-N 0 3 249.402 3.667 20 0 BHADHN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccc(F)cc1 ZINC000414281544 386094060 /nfs/dbraw/zinc/09/40/60/386094060.db2.gz GEPAYEKQRBJPIK-LERXQTSPSA-N 0 3 239.309 3.757 20 0 BHADHN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(F)cc1 ZINC000414281545 386094378 /nfs/dbraw/zinc/09/43/78/386094378.db2.gz GEPAYEKQRBJPIK-ZLKJLUDKSA-N 0 3 239.309 3.757 20 0 BHADHN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1cccc(F)c1 ZINC000414284434 386093458 /nfs/dbraw/zinc/09/34/58/386093458.db2.gz KOBZHMXQFRARPO-LERXQTSPSA-N 0 3 239.309 3.757 20 0 BHADHN C[C@H](N[C@@H]1CCCC[C@H]1F)c1cccc(F)c1 ZINC000414284435 386093778 /nfs/dbraw/zinc/09/37/78/386093778.db2.gz KOBZHMXQFRARPO-ZLKJLUDKSA-N 0 3 239.309 3.757 20 0 BHADHN F[C@@H]1CCCC[C@H]1NC1CC(c2ccccc2)C1 ZINC000414291958 191482476 /nfs/dbraw/zinc/48/24/76/191482476.db2.gz UQNUJMXQXDSTHH-QDIHITRGSA-N 0 3 247.357 3.803 20 0 BHADHN F[C@@H]1CCCC[C@H]1N[C@H]1CCc2ccccc21 ZINC000414294004 386103753 /nfs/dbraw/zinc/10/37/53/386103753.db2.gz WIUSUWZQCASYPW-QLFBSQMISA-N 0 3 233.330 3.544 20 0 BHADHN F[C@@H]1CCCC[C@H]1N[C@@H]1CCc2ccccc21 ZINC000414294008 386104368 /nfs/dbraw/zinc/10/43/68/386104368.db2.gz WIUSUWZQCASYPW-RBSFLKMASA-N 0 3 233.330 3.544 20 0 BHADHN Cc1occc1CNCCc1ccccc1Cl ZINC000414298066 386105118 /nfs/dbraw/zinc/10/51/18/386105118.db2.gz IXAIBXUZCJQTCQ-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCCC[C@H]2F)cs1 ZINC000414309737 386113208 /nfs/dbraw/zinc/11/32/08/386113208.db2.gz JYWYXBSKWFSVKJ-CYZMBNFOSA-N 0 3 241.375 3.988 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CCCC[C@H]2F)cs1 ZINC000414309743 386112882 /nfs/dbraw/zinc/11/28/82/386112882.db2.gz JYWYXBSKWFSVKJ-RAIGVLPGSA-N 0 3 241.375 3.988 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1cccc(F)c1 ZINC000414327703 386124638 /nfs/dbraw/zinc/12/46/38/386124638.db2.gz BYCIESLPBPXNSE-LERXQTSPSA-N 0 3 245.297 3.625 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1cccc(F)c1 ZINC000414327704 386123961 /nfs/dbraw/zinc/12/39/61/386123961.db2.gz BYCIESLPBPXNSE-ZLKJLUDKSA-N 0 3 245.297 3.625 20 0 BHADHN Cc1ccsc1[C@@H](C)N[C@@H]1C[C@H]1c1ccco1 ZINC000414329537 386124094 /nfs/dbraw/zinc/12/40/94/386124094.db2.gz DILKDOABXRIYBQ-IJLUTSLNSA-N 0 3 247.363 3.856 20 0 BHADHN Cc1ccsc1[C@H](C)N[C@@H]1C[C@H]1c1ccco1 ZINC000414329540 386123782 /nfs/dbraw/zinc/12/37/82/386123782.db2.gz DILKDOABXRIYBQ-QJPTWQEYSA-N 0 3 247.363 3.856 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccccc1F ZINC000414330174 386123830 /nfs/dbraw/zinc/12/38/30/386123830.db2.gz DUYDELIWYHCWAW-MPKXVKKWSA-N 0 3 245.297 3.625 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccccc1F ZINC000414330175 386122716 /nfs/dbraw/zinc/12/27/16/386122716.db2.gz DUYDELIWYHCWAW-ZKYQVNSYSA-N 0 3 245.297 3.625 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1cccs1 ZINC000414332553 386128414 /nfs/dbraw/zinc/12/84/14/386128414.db2.gz GTGZJHAKEPGCJK-GMTAPVOTSA-N 0 3 233.336 3.548 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1cccs1 ZINC000414332556 386126676 /nfs/dbraw/zinc/12/66/76/386126676.db2.gz GTGZJHAKEPGCJK-HBNTYKKESA-N 0 3 233.336 3.548 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)o1 ZINC000414333811 386128280 /nfs/dbraw/zinc/12/82/80/386128280.db2.gz HXCHIUPGFWCGTR-CYZMBNFOSA-N 0 3 245.322 3.642 20 0 BHADHN CCc1ccc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)o1 ZINC000414333814 386127313 /nfs/dbraw/zinc/12/73/13/386127313.db2.gz HXCHIUPGFWCGTR-RAIGVLPGSA-N 0 3 245.322 3.642 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccsc1 ZINC000414334554 386127375 /nfs/dbraw/zinc/12/73/75/386127375.db2.gz BMQLJEALUHGRHM-FRRDWIJNSA-N 0 3 247.363 3.938 20 0 BHADHN CC[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccsc1 ZINC000414334557 386128186 /nfs/dbraw/zinc/12/81/86/386128186.db2.gz BMQLJEALUHGRHM-JHJVBQTASA-N 0 3 247.363 3.938 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@@H]1C[C@H]1c1ccco1 ZINC000414335861 386127969 /nfs/dbraw/zinc/12/79/69/386127969.db2.gz JRLOCGDLMJJPSH-BPLDGKMQSA-N 0 3 241.334 3.795 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@@H]1C[C@H]1c1ccco1 ZINC000414335863 386127984 /nfs/dbraw/zinc/12/79/84/386127984.db2.gz JRLOCGDLMJJPSH-NWANDNLSSA-N 0 3 241.334 3.795 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H]1c1ccco1)c1cccs1 ZINC000414338863 386129693 /nfs/dbraw/zinc/12/96/93/386129693.db2.gz MJOOCLUXGBLMNC-GRYCIOLGSA-N 0 3 247.363 3.938 20 0 BHADHN CC[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1cccs1 ZINC000414338864 386130277 /nfs/dbraw/zinc/13/02/77/386130277.db2.gz MJOOCLUXGBLMNC-IJLUTSLNSA-N 0 3 247.363 3.938 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000414339421 386128580 /nfs/dbraw/zinc/12/85/80/386128580.db2.gz MPLOHISSSMYFRS-LERXQTSPSA-N 0 3 245.297 3.625 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000414339423 386130352 /nfs/dbraw/zinc/13/03/52/386130352.db2.gz MPLOHISSSMYFRS-ZLKJLUDKSA-N 0 3 245.297 3.625 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000414340446 191493284 /nfs/dbraw/zinc/49/32/84/191493284.db2.gz NKSCFZOBJJXIKC-BPLDGKMQSA-N 0 3 241.334 3.795 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000414340448 386131399 /nfs/dbraw/zinc/13/13/99/386131399.db2.gz NKSCFZOBJJXIKC-NWANDNLSSA-N 0 3 241.334 3.795 20 0 BHADHN Cc1cccc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414341064 386131268 /nfs/dbraw/zinc/13/12/68/386131268.db2.gz NZMBCUPEQHFHJD-BPLDGKMQSA-N 0 3 241.334 3.795 20 0 BHADHN Cc1cccc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414341066 386132242 /nfs/dbraw/zinc/13/22/42/386132242.db2.gz NZMBCUPEQHFHJD-NWANDNLSSA-N 0 3 241.334 3.795 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccsc1 ZINC000414342031 386132140 /nfs/dbraw/zinc/13/21/40/386132140.db2.gz PDVBZQIQHSIMQE-MVWJERBFSA-N 0 3 233.336 3.548 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccsc1 ZINC000414342033 386131822 /nfs/dbraw/zinc/13/18/22/386131822.db2.gz PDVBZQIQHSIMQE-YUSALJHKSA-N 0 3 233.336 3.548 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)oc1C ZINC000414342136 386131930 /nfs/dbraw/zinc/13/19/30/386131930.db2.gz IJRAUYZGCLTRBM-CYZMBNFOSA-N 0 3 245.322 3.696 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)oc1C ZINC000414342137 386132832 /nfs/dbraw/zinc/13/28/32/386132832.db2.gz IJRAUYZGCLTRBM-RAIGVLPGSA-N 0 3 245.322 3.696 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)s1 ZINC000414342505 386133026 /nfs/dbraw/zinc/13/30/26/386133026.db2.gz PWQOOVGMJWERDD-IJLUTSLNSA-N 0 3 247.363 3.856 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)s1 ZINC000414342507 386131493 /nfs/dbraw/zinc/13/14/93/386131493.db2.gz PWQOOVGMJWERDD-QJPTWQEYSA-N 0 3 247.363 3.856 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)c(C)o1 ZINC000414349092 386117360 /nfs/dbraw/zinc/11/73/60/386117360.db2.gz XVPQEUAXSQYHQB-LERXQTSPSA-N 0 3 245.322 3.696 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)c(C)o1 ZINC000414349095 386121725 /nfs/dbraw/zinc/12/17/25/386121725.db2.gz XVPQEUAXSQYHQB-ZLKJLUDKSA-N 0 3 245.322 3.696 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)cs1 ZINC000414350194 386152380 /nfs/dbraw/zinc/15/23/80/386152380.db2.gz QEUCADLLIMJLNP-CYZMBNFOSA-N 0 3 247.363 3.856 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)cs1 ZINC000414350195 386150863 /nfs/dbraw/zinc/15/08/63/386150863.db2.gz QEUCADLLIMJLNP-RAIGVLPGSA-N 0 3 247.363 3.856 20 0 BHADHN Cc1ccc(CC[C@@H](C)NCc2ccoc2C)o1 ZINC000414355066 386143110 /nfs/dbraw/zinc/14/31/10/386143110.db2.gz BHALYXUAQQYVDJ-LLVKDONJSA-N 0 3 247.338 3.600 20 0 BHADHN Cc1ccc(CC[C@H](C)NCc2ccoc2C)o1 ZINC000414355068 386144129 /nfs/dbraw/zinc/14/41/29/386144129.db2.gz BHALYXUAQQYVDJ-NSHDSACASA-N 0 3 247.338 3.600 20 0 BHADHN CCN(Cc1ccoc1C)Cc1ccccc1 ZINC000414362300 398220471 /nfs/dbraw/zinc/22/04/71/398220471.db2.gz DXCLRWNOLJDPES-UHFFFAOYSA-N 0 3 229.323 3.610 20 0 BHADHN CCN(CCc1cccs1)Cc1ccoc1C ZINC000414366910 386159646 /nfs/dbraw/zinc/15/96/46/386159646.db2.gz CNGKJPLYYWVSCP-UHFFFAOYSA-N 0 3 249.379 3.714 20 0 BHADHN Cc1occc1CN1CCC[C@H]1c1ccccc1 ZINC000414367800 386154134 /nfs/dbraw/zinc/15/41/34/386154134.db2.gz FQZXPUIUAWMENB-INIZCTEOSA-N 0 3 241.334 3.925 20 0 BHADHN Cc1occc1CN1CCC[C@@H]1c1ccccc1 ZINC000414367801 386154757 /nfs/dbraw/zinc/15/47/57/386154757.db2.gz FQZXPUIUAWMENB-MRXNPFEDSA-N 0 3 241.334 3.925 20 0 BHADHN Cc1cc(CN(C)C2CC2)ccc1C(F)(F)F ZINC000414370997 411412487 /nfs/dbraw/zinc/41/24/87/411412487.db2.gz MRWZJSUEKQYRTD-UHFFFAOYSA-N 0 3 243.272 3.608 20 0 BHADHN Cc1occc1CN1CCC[C@H]1c1ccsc1 ZINC000414373476 386176743 /nfs/dbraw/zinc/17/67/43/386176743.db2.gz SKTSKDFSIFOKHR-AWEZNQCLSA-N 0 3 247.363 3.987 20 0 BHADHN Cc1occc1CN1CCC[C@@H]1c1ccsc1 ZINC000414373477 386177875 /nfs/dbraw/zinc/17/78/75/386177875.db2.gz SKTSKDFSIFOKHR-CQSZACIVSA-N 0 3 247.363 3.987 20 0 BHADHN Cc1occc1CN1CCC[C@@H]1c1cccs1 ZINC000414375145 386188219 /nfs/dbraw/zinc/18/82/19/386188219.db2.gz XWCYNHQLLXMXCN-CYBMUJFWSA-N 0 3 247.363 3.987 20 0 BHADHN Cc1occc1CN1CCC[C@H]1c1cccs1 ZINC000414375147 386189341 /nfs/dbraw/zinc/18/93/41/386189341.db2.gz XWCYNHQLLXMXCN-ZDUSSCGKSA-N 0 3 247.363 3.987 20 0 BHADHN Cc1occc1CNC(C)(C)c1cccc(C)c1 ZINC000414388334 386244234 /nfs/dbraw/zinc/24/42/34/386244234.db2.gz BXFIOCZZJITNMF-UHFFFAOYSA-N 0 3 243.350 3.921 20 0 BHADHN CCSCC[C@@H](C)N(C)Cc1ccoc1C ZINC000414392697 386271152 /nfs/dbraw/zinc/27/11/52/386271152.db2.gz CIHYQBKPUOEWKI-LLVKDONJSA-N 0 3 241.400 3.552 20 0 BHADHN CCSCC[C@H](C)N(C)Cc1ccoc1C ZINC000414392698 386271187 /nfs/dbraw/zinc/27/11/87/386271187.db2.gz CIHYQBKPUOEWKI-NSHDSACASA-N 0 3 241.400 3.552 20 0 BHADHN Cc1occc1CNC(C)(C)c1cccs1 ZINC000414400869 386297148 /nfs/dbraw/zinc/29/71/48/386297148.db2.gz YXSYKZIUQWJEFM-UHFFFAOYSA-N 0 3 235.352 3.674 20 0 BHADHN Cc1occc1CN[C@H](CC(F)(F)F)C(C)C ZINC000414442908 386483443 /nfs/dbraw/zinc/48/34/43/386483443.db2.gz ZAFDICKJEIYMQF-LLVKDONJSA-N 0 3 249.276 3.655 20 0 BHADHN Cc1occc1CN[C@@H](CC(F)(F)F)C(C)C ZINC000414442909 386483977 /nfs/dbraw/zinc/48/39/77/386483977.db2.gz ZAFDICKJEIYMQF-NSHDSACASA-N 0 3 249.276 3.655 20 0 BHADHN Cc1occc1CN[C@H]1C[C@H](c2ccccc2)C1 ZINC000414443516 397942086 /nfs/dbraw/zinc/94/20/86/397942086.db2.gz JCXARPFFKBKXMX-WKILWMFISA-N 0 3 241.334 3.624 20 0 BHADHN Cc1occc1CNC(C)(C)c1ccccc1C ZINC000414454059 386550323 /nfs/dbraw/zinc/55/03/23/386550323.db2.gz QCYKPSFJKLRXRL-UHFFFAOYSA-N 0 3 243.350 3.921 20 0 BHADHN Cc1occc1CN1CC2(CCC2)[C@@H]1C(C)C ZINC000414456302 386570119 /nfs/dbraw/zinc/57/01/19/386570119.db2.gz UJTBFPOYXRYLHG-AWEZNQCLSA-N 0 3 233.355 3.599 20 0 BHADHN Cc1occc1CN1CC2(CCC2)[C@H]1C(C)C ZINC000414456304 386568352 /nfs/dbraw/zinc/56/83/52/386568352.db2.gz UJTBFPOYXRYLHG-CQSZACIVSA-N 0 3 233.355 3.599 20 0 BHADHN C=Cc1ccc(CCNCc2ccoc2C)cc1 ZINC000414458909 386582129 /nfs/dbraw/zinc/58/21/29/386582129.db2.gz UVUPTGUUKKCOLM-UHFFFAOYSA-N 0 3 241.334 3.563 20 0 BHADHN CC(C)[C@H]1CCC[C@H]1N[C@@H](C)c1nccs1 ZINC000414498455 386747829 /nfs/dbraw/zinc/74/78/29/386747829.db2.gz WJBZGSPHHJQVGU-QJPTWQEYSA-N 0 3 238.400 3.618 20 0 BHADHN CC(C)[C@@H]1CCC[C@H]1N[C@@H](C)c1nccs1 ZINC000414498456 191524199 /nfs/dbraw/zinc/52/41/99/191524199.db2.gz WJBZGSPHHJQVGU-SDDRHHMPSA-N 0 3 238.400 3.618 20 0 BHADHN CC(C)[C@@H]1CCC[C@@H]1N[C@@H](C)c1nccs1 ZINC000414498458 386747488 /nfs/dbraw/zinc/74/74/88/386747488.db2.gz WJBZGSPHHJQVGU-SRVKXCTJSA-N 0 3 238.400 3.618 20 0 BHADHN CC(C)[C@H]1CCC[C@@H]1N[C@@H](C)c1nccs1 ZINC000414498460 386747785 /nfs/dbraw/zinc/74/77/85/386747785.db2.gz WJBZGSPHHJQVGU-TUAOUCFPSA-N 0 3 238.400 3.618 20 0 BHADHN F[C@@H]1CCCC[C@H]1NCc1cccc2cc[nH]c21 ZINC000414507074 386791986 /nfs/dbraw/zinc/79/19/86/386791986.db2.gz ADEBLSKEMLABLD-ZIAGYGMSSA-N 0 3 246.329 3.538 20 0 BHADHN Cc1ccc(F)cc1CN[C@@H]1CCCC[C@H]1F ZINC000414511692 385629799 /nfs/dbraw/zinc/62/97/99/385629799.db2.gz LLLDVEZUMJKWHE-ZIAGYGMSSA-N 0 3 239.309 3.504 20 0 BHADHN F[C@@H]1CCCC[C@H]1NCc1cccc2[nH]ccc21 ZINC000414511694 385629900 /nfs/dbraw/zinc/62/99/00/385629900.db2.gz LLNUGGGGMHNDSF-UKRRQHHQSA-N 0 3 246.329 3.538 20 0 BHADHN F[C@@H]1CCCC[C@H]1NC/C=C\c1ccccc1 ZINC000414512325 385624135 /nfs/dbraw/zinc/62/41/35/385624135.db2.gz MXHVQNITSLWSGF-AJNJCKRNSA-N 0 3 233.330 3.570 20 0 BHADHN F[C@@H]1CCCC[C@H]1NC/C=C/c1ccccc1 ZINC000414512326 385624170 /nfs/dbraw/zinc/62/41/70/385624170.db2.gz MXHVQNITSLWSGF-VOTDVEDPSA-N 0 3 233.330 3.570 20 0 BHADHN F[C@@H]1CCCC[C@H]1NCc1ccc2occc2c1 ZINC000414513006 385628575 /nfs/dbraw/zinc/62/85/75/385628575.db2.gz ORNBSXTUZLUDFH-ZIAGYGMSSA-N 0 3 247.313 3.803 20 0 BHADHN F[C@@H]1CCCC[C@H]1NCc1cccc2ccoc21 ZINC000414513275 385634395 /nfs/dbraw/zinc/63/43/95/385634395.db2.gz OXCPGHQXFKVJAL-ZIAGYGMSSA-N 0 3 247.313 3.803 20 0 BHADHN F[C@@H]1CCCC[C@H]1NCc1coc2ccccc12 ZINC000414515155 385636522 /nfs/dbraw/zinc/63/65/22/385636522.db2.gz TVUIIDYRQXCAMS-ZIAGYGMSSA-N 0 3 247.313 3.803 20 0 BHADHN CCc1ccc(CN(CC)C2CC(C)(C)C2)cn1 ZINC000414536579 385704373 /nfs/dbraw/zinc/70/43/73/385704373.db2.gz NGUQGCKZUCTPAJ-UHFFFAOYSA-N 0 3 246.398 3.655 20 0 BHADHN CCN(Cc1occc1C)Cc1sccc1C ZINC000414548862 385725968 /nfs/dbraw/zinc/72/59/68/385725968.db2.gz KYVFRIBLRGGYTR-UHFFFAOYSA-N 0 3 249.379 3.980 20 0 BHADHN Cc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1C ZINC000414578014 397970951 /nfs/dbraw/zinc/97/09/51/397970951.db2.gz HWMANEYAMCHBFM-HUUCEWRRSA-N 0 3 241.334 3.542 20 0 BHADHN Clc1cccc(CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414581176 385851178 /nfs/dbraw/zinc/85/11/78/385851178.db2.gz KKGZCZBVHZBFEM-CHWSQXEVSA-N 0 3 247.725 3.579 20 0 BHADHN Cc1ccc(CN[C@@H]2C[C@H]2c2ccco2)c(C)c1 ZINC000414583315 385858675 /nfs/dbraw/zinc/85/86/75/385858675.db2.gz LTLDVYXTUMGSON-HUUCEWRRSA-N 0 3 241.334 3.542 20 0 BHADHN Cc1cccc(CN[C@@H]2C[C@H]2c2ccco2)c1C ZINC000414583348 385858322 /nfs/dbraw/zinc/85/83/22/385858322.db2.gz LUVIXAGHHMPIBQ-HUUCEWRRSA-N 0 3 241.334 3.542 20 0 BHADHN Clc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000414584935 385864071 /nfs/dbraw/zinc/86/40/71/385864071.db2.gz NGCYVVDKUYZDMC-CHWSQXEVSA-N 0 3 247.725 3.579 20 0 BHADHN Cc1cccc(C)c1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414599051 385903772 /nfs/dbraw/zinc/90/37/72/385903772.db2.gz YXOXWRWMMOSTKF-UKRRQHHQSA-N 0 3 241.334 3.542 20 0 BHADHN Clc1ccccc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414599056 385902729 /nfs/dbraw/zinc/90/27/29/385902729.db2.gz YXWJMSICLHADIN-DGCLKSJQSA-N 0 3 247.725 3.579 20 0 BHADHN Cc1cc(C)cc(CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414599529 385904686 /nfs/dbraw/zinc/90/46/86/385904686.db2.gz ZPTCVMKMWUJDEQ-HUUCEWRRSA-N 0 3 241.334 3.542 20 0 BHADHN Cc1ccc(C)c(CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414599625 385905159 /nfs/dbraw/zinc/90/51/59/385905159.db2.gz ZZCCMALMHBOWAB-HUUCEWRRSA-N 0 3 241.334 3.542 20 0 BHADHN CCNCc1nc(C2CCCCC2)c(C)s1 ZINC000416397722 386292109 /nfs/dbraw/zinc/29/21/09/386292109.db2.gz BLFMXGFVCQLBHS-UHFFFAOYSA-N 0 3 238.400 3.609 20 0 BHADHN CCNCc1nc(C2CCCCCC2)cs1 ZINC000416399772 386293153 /nfs/dbraw/zinc/29/31/53/386293153.db2.gz IITFUVOXQOGLGP-UHFFFAOYSA-N 0 3 238.400 3.690 20 0 BHADHN C[C@@H](NCc1ccco1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306170 191787239 /nfs/dbraw/zinc/78/72/39/191787239.db2.gz ZODRNVFYMCKBAA-KGYLQXTDSA-N 0 3 247.363 3.623 20 0 BHADHN C[C@H](NCc1ccco1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306171 386481398 /nfs/dbraw/zinc/48/13/98/386481398.db2.gz ZODRNVFYMCKBAA-WCFLWFBJSA-N 0 3 247.363 3.623 20 0 BHADHN C[C@@H](NCc1ccoc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417343384 386485928 /nfs/dbraw/zinc/48/59/28/386485928.db2.gz QPHPWRXUTKBPCP-KGYLQXTDSA-N 0 3 247.363 3.623 20 0 BHADHN C[C@H](NCc1ccoc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417343385 386484921 /nfs/dbraw/zinc/48/49/21/386484921.db2.gz QPHPWRXUTKBPCP-WCFLWFBJSA-N 0 3 247.363 3.623 20 0 BHADHN CCC[C@H](N[C@@H](C)c1ccon1)[C@@H]1CC1(C)C ZINC000417345186 386485490 /nfs/dbraw/zinc/48/54/90/386485490.db2.gz RIJNNMZLMYCXHE-GVXVVHGQSA-N 0 3 236.359 3.540 20 0 BHADHN CCC[C@H](N[C@@H](C)c1ccon1)[C@H]1CC1(C)C ZINC000417345187 386485082 /nfs/dbraw/zinc/48/50/82/386485082.db2.gz RIJNNMZLMYCXHE-LOWVWBTDSA-N 0 3 236.359 3.540 20 0 BHADHN CCC[C@H](N[C@H](C)c1ccon1)[C@@H]1CC1(C)C ZINC000417345188 386485467 /nfs/dbraw/zinc/48/54/67/386485467.db2.gz RIJNNMZLMYCXHE-MDZLAQPJSA-N 0 3 236.359 3.540 20 0 BHADHN CCC[C@H](N[C@H](C)c1ccon1)[C@H]1CC1(C)C ZINC000417345189 386485688 /nfs/dbraw/zinc/48/56/88/386485688.db2.gz RIJNNMZLMYCXHE-WZRBSPASSA-N 0 3 236.359 3.540 20 0 BHADHN Cc1ccc(CC(C)(C)NCc2ccco2)cc1 ZINC000418106627 387220681 /nfs/dbraw/zinc/22/06/81/387220681.db2.gz NOZOYIHBAINJGZ-UHFFFAOYSA-N 0 3 243.350 3.699 20 0 BHADHN C[C@@H](NCc1cc[nH]c1)c1ccc(C2CC2)cc1 ZINC000418115291 387706884 /nfs/dbraw/zinc/70/68/84/387706884.db2.gz OIENDKRDAPPLMV-GFCCVEGCSA-N 0 3 240.350 3.743 20 0 BHADHN C[C@H](NCc1cc[nH]c1)c1ccc(C2CC2)cc1 ZINC000418115292 387706186 /nfs/dbraw/zinc/70/61/86/387706186.db2.gz OIENDKRDAPPLMV-LBPRGKRZSA-N 0 3 240.350 3.743 20 0 BHADHN CC(C)OCCN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419337303 192125078 /nfs/dbraw/zinc/12/50/78/192125078.db2.gz KXVRMYSUHOFXCM-CYBMUJFWSA-N 0 3 247.382 3.640 20 0 BHADHN CC(C)OCCN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419337304 192124322 /nfs/dbraw/zinc/12/43/22/192124322.db2.gz KXVRMYSUHOFXCM-ZDUSSCGKSA-N 0 3 247.382 3.640 20 0 BHADHN Cc1cc(F)ccc1CN[C@@H]1CCCC[C@H]1F ZINC000419826150 192146486 /nfs/dbraw/zinc/14/64/86/192146486.db2.gz WETMDTIOTYEBTJ-ZIAGYGMSSA-N 0 3 239.309 3.504 20 0 BHADHN CC(C)=CCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420940974 192289065 /nfs/dbraw/zinc/28/90/65/192289065.db2.gz FBYCTUZNKAPJDO-LLVKDONJSA-N 0 3 235.293 3.617 20 0 BHADHN CC(C)=CCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420940975 192289340 /nfs/dbraw/zinc/28/93/40/192289340.db2.gz FBYCTUZNKAPJDO-NSHDSACASA-N 0 3 235.293 3.617 20 0 BHADHN FC(F)(F)C[C@H]1CCCN([C@H]2C=CCCC2)C1 ZINC000420956142 192279021 /nfs/dbraw/zinc/27/90/21/192279021.db2.gz XUSHQDSOACXMAN-NEPJUHHUSA-N 0 3 247.304 3.760 20 0 BHADHN FC(F)(F)C[C@@H]1CCCN([C@@H]2C=CCCC2)C1 ZINC000420956143 192280269 /nfs/dbraw/zinc/28/02/69/192280269.db2.gz XUSHQDSOACXMAN-NWDGAFQWSA-N 0 3 247.304 3.760 20 0 BHADHN FC(F)(F)C[C@@H]1CCCN([C@H]2C=CCCC2)C1 ZINC000420956144 192279470 /nfs/dbraw/zinc/27/94/70/192279470.db2.gz XUSHQDSOACXMAN-RYUDHWBXSA-N 0 3 247.304 3.760 20 0 BHADHN FC(F)(F)C[C@H]1CCCN([C@@H]2C=CCCC2)C1 ZINC000420956145 192279717 /nfs/dbraw/zinc/27/97/17/192279717.db2.gz XUSHQDSOACXMAN-VXGBXAGGSA-N 0 3 247.304 3.760 20 0 BHADHN CC(C)=CCN[C@H](CC(F)F)c1ccccc1 ZINC000420988476 192292531 /nfs/dbraw/zinc/29/25/31/192292531.db2.gz UNXFSRLPUIDSIS-CYBMUJFWSA-N 0 3 239.309 3.939 20 0 BHADHN CC(C)=CCN[C@@H](CC(F)F)c1ccccc1 ZINC000420988478 192291226 /nfs/dbraw/zinc/29/12/26/192291226.db2.gz UNXFSRLPUIDSIS-ZDUSSCGKSA-N 0 3 239.309 3.939 20 0 BHADHN C[C@H](F)CCN[C@H](CC(F)F)c1ccccc1 ZINC000420999923 192295416 /nfs/dbraw/zinc/29/54/16/192295416.db2.gz VKARVEMNDXONPT-CMPLNLGQSA-N 0 3 245.288 3.721 20 0 BHADHN C[C@H](F)CCN[C@@H](CC(F)F)c1ccccc1 ZINC000420999924 192295277 /nfs/dbraw/zinc/29/52/77/192295277.db2.gz VKARVEMNDXONPT-JQWIXIFHSA-N 0 3 245.288 3.721 20 0 BHADHN C[C@@H](F)CCN[C@@H](CC(F)F)c1ccccc1 ZINC000420999925 192296927 /nfs/dbraw/zinc/29/69/27/192296927.db2.gz VKARVEMNDXONPT-PWSUYJOCSA-N 0 3 245.288 3.721 20 0 BHADHN C[C@@H](F)CCN[C@H](CC(F)F)c1ccccc1 ZINC000420999926 192297047 /nfs/dbraw/zinc/29/70/47/192297047.db2.gz VKARVEMNDXONPT-ZYHUDNBSSA-N 0 3 245.288 3.721 20 0 BHADHN CCOCCN(C(C)C)[C@H](C)c1ccsc1 ZINC000421006439 192298815 /nfs/dbraw/zinc/29/88/15/192298815.db2.gz JYKVQEJLVILFHW-GFCCVEGCSA-N 0 3 241.400 3.556 20 0 BHADHN CCOCCN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421006440 192298586 /nfs/dbraw/zinc/29/85/86/192298586.db2.gz JYKVQEJLVILFHW-LBPRGKRZSA-N 0 3 241.400 3.556 20 0 BHADHN CSCCN(C(C)C)[C@H](C)c1ccsc1 ZINC000421016766 192304356 /nfs/dbraw/zinc/30/43/56/192304356.db2.gz UZJFENQEBGZACT-LLVKDONJSA-N 0 3 243.441 3.883 20 0 BHADHN CSCCN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421016767 192303606 /nfs/dbraw/zinc/30/36/06/192303606.db2.gz UZJFENQEBGZACT-NSHDSACASA-N 0 3 243.441 3.883 20 0 BHADHN Cc1cc(CN[C@@H](C)c2ccccc2)cc(C)n1 ZINC000421207039 192312785 /nfs/dbraw/zinc/31/27/85/192312785.db2.gz VFOWJNRVIIFLEJ-AWEZNQCLSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1cc(CN[C@H](C)c2ccccc2)cc(C)n1 ZINC000421207044 192313110 /nfs/dbraw/zinc/31/31/10/192313110.db2.gz VFOWJNRVIIFLEJ-CQSZACIVSA-N 0 3 240.350 3.549 20 0 BHADHN c1cc(CN2CCC23CCC3)cc(C2CC2)c1 ZINC000421318354 192317044 /nfs/dbraw/zinc/31/70/44/192317044.db2.gz DZBXYTZXZWHJAJ-UHFFFAOYSA-N 0 3 227.351 3.692 20 0 BHADHN C[C@@H](NC1CC2(C1)CCCCC2)c1ccccn1 ZINC000421334661 192318891 /nfs/dbraw/zinc/31/88/91/192318891.db2.gz QPCHUBVJPXVHHA-CYBMUJFWSA-N 0 3 244.382 3.845 20 0 BHADHN C[C@H](NC1CC2(C1)CCCCC2)c1ccccn1 ZINC000421334662 192319024 /nfs/dbraw/zinc/31/90/24/192319024.db2.gz QPCHUBVJPXVHHA-ZDUSSCGKSA-N 0 3 244.382 3.845 20 0 BHADHN Cc1cccnc1CNC1CC2(C1)CCCCC2 ZINC000421335715 388026823 /nfs/dbraw/zinc/02/68/23/388026823.db2.gz UAYGUUKADYGHPH-UHFFFAOYSA-N 0 3 244.382 3.593 20 0 BHADHN c1cc(CN2CCCSCC2)cc(C2CC2)c1 ZINC000421337434 192319014 /nfs/dbraw/zinc/31/90/14/192319014.db2.gz CFUFFNDKEZOAGH-UHFFFAOYSA-N 0 3 247.407 3.503 20 0 BHADHN c1cc(CN2CC[C@H]2C2CC2)cc(C2CC2)c1 ZINC000421375903 192322652 /nfs/dbraw/zinc/32/26/52/192322652.db2.gz DLDMLJWSIXWJLH-INIZCTEOSA-N 0 3 227.351 3.548 20 0 BHADHN c1cc(CN2CC[C@@H]2C2CC2)cc(C2CC2)c1 ZINC000421375904 192322627 /nfs/dbraw/zinc/32/26/27/192322627.db2.gz DLDMLJWSIXWJLH-MRXNPFEDSA-N 0 3 227.351 3.548 20 0 BHADHN F[C@@H]1CCC[C@@H]1NCc1cccc(C2CC2)c1 ZINC000421382171 192325654 /nfs/dbraw/zinc/32/56/54/192325654.db2.gz MAICUUXWVPDQED-CABCVRRESA-N 0 3 233.330 3.544 20 0 BHADHN F[C@H]1CCC[C@H]1NCc1cccc(C2CC2)c1 ZINC000421382173 192325220 /nfs/dbraw/zinc/32/52/20/192325220.db2.gz MAICUUXWVPDQED-LSDHHAIUSA-N 0 3 233.330 3.544 20 0 BHADHN FCC1CCN(Cc2cccc(C3CC3)c2)CC1 ZINC000421386843 192327221 /nfs/dbraw/zinc/32/72/21/192327221.db2.gz RSJSKQXVFDRIKG-UHFFFAOYSA-N 0 3 247.357 3.746 20 0 BHADHN CC[C@H](C)CNCc1ncc(C(C)(C)C)s1 ZINC000421392593 192328040 /nfs/dbraw/zinc/32/80/40/192328040.db2.gz XOLQMVCMFFCWNG-JTQLQIEISA-N 0 3 240.416 3.576 20 0 BHADHN CC[C@@H](C)CNCc1ncc(C(C)(C)C)s1 ZINC000421392594 192327987 /nfs/dbraw/zinc/32/79/87/192327987.db2.gz XOLQMVCMFFCWNG-SNVBAGLBSA-N 0 3 240.416 3.576 20 0 BHADHN CCC(CC)N[C@H](C)c1ccncc1Cl ZINC000421799602 192384129 /nfs/dbraw/zinc/38/41/29/192384129.db2.gz FDKMSHNPJWEUFA-SECBINFHSA-N 0 3 226.751 3.574 20 0 BHADHN CCC(CC)N[C@@H](C)c1ccncc1Cl ZINC000421799603 192384745 /nfs/dbraw/zinc/38/47/45/192384745.db2.gz FDKMSHNPJWEUFA-VIFPVBQESA-N 0 3 226.751 3.574 20 0 BHADHN CCCCCN[C@@H](C)c1ccncc1Cl ZINC000421800617 192384274 /nfs/dbraw/zinc/38/42/74/192384274.db2.gz IBTFJMDZWKHETI-JTQLQIEISA-N 0 3 226.751 3.576 20 0 BHADHN CCCCCN[C@H](C)c1ccncc1Cl ZINC000421800619 192384187 /nfs/dbraw/zinc/38/41/87/192384187.db2.gz IBTFJMDZWKHETI-SNVBAGLBSA-N 0 3 226.751 3.576 20 0 BHADHN C[C@H](NC1CCCCC1)c1ccncc1Cl ZINC000421805893 192384227 /nfs/dbraw/zinc/38/42/27/192384227.db2.gz YCGKBDKLJOMSDO-JTQLQIEISA-N 0 3 238.762 3.718 20 0 BHADHN C[C@@H](NC1CCCCC1)c1ccncc1Cl ZINC000421805894 192385258 /nfs/dbraw/zinc/38/52/58/192385258.db2.gz YCGKBDKLJOMSDO-SNVBAGLBSA-N 0 3 238.762 3.718 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccncc1Cl ZINC000421822727 398144690 /nfs/dbraw/zinc/14/46/90/398144690.db2.gz BGFAKVGTWIJXAP-AXFHLTTASA-N 0 3 240.778 3.820 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1ccncc1Cl ZINC000421822728 398144924 /nfs/dbraw/zinc/14/49/24/398144924.db2.gz BGFAKVGTWIJXAP-DCAQKATOSA-N 0 3 240.778 3.820 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@H](C)c1ccncc1Cl ZINC000421822729 398145142 /nfs/dbraw/zinc/14/51/42/398145142.db2.gz BGFAKVGTWIJXAP-GARJFASQSA-N 0 3 240.778 3.820 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1ccncc1Cl ZINC000421822730 398145481 /nfs/dbraw/zinc/14/54/81/398145481.db2.gz BGFAKVGTWIJXAP-HBNTYKKESA-N 0 3 240.778 3.820 20 0 BHADHN CC(C)CCCN[C@H](C)c1ccncc1Cl ZINC000421823592 398146166 /nfs/dbraw/zinc/14/61/66/398146166.db2.gz ZYKPUOYJZWXQKI-LLVKDONJSA-N 0 3 240.778 3.822 20 0 BHADHN CC(C)CCCN[C@@H](C)c1ccncc1Cl ZINC000421823593 398146273 /nfs/dbraw/zinc/14/62/73/398146273.db2.gz ZYKPUOYJZWXQKI-NSHDSACASA-N 0 3 240.778 3.822 20 0 BHADHN C[C@H](NCC1CCCC1)c1ccncc1Cl ZINC000421824647 192387295 /nfs/dbraw/zinc/38/72/95/192387295.db2.gz JREMWQWRJDNESR-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCC1CCCC1)c1ccncc1Cl ZINC000421824648 192387362 /nfs/dbraw/zinc/38/73/62/192387362.db2.gz JREMWQWRJDNESR-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN C[C@H](NCCC(C)(C)C)c1ccncc1Cl ZINC000421827167 192387123 /nfs/dbraw/zinc/38/71/23/192387123.db2.gz WONXAYDREPIQCQ-JTQLQIEISA-N 0 3 240.778 3.822 20 0 BHADHN C[C@@H](NCCC(C)(C)C)c1ccncc1Cl ZINC000421827168 192386513 /nfs/dbraw/zinc/38/65/13/192386513.db2.gz WONXAYDREPIQCQ-SNVBAGLBSA-N 0 3 240.778 3.822 20 0 BHADHN CC(C)[C@H](C)CN[C@H](C)c1ccncc1Cl ZINC000421828699 192387210 /nfs/dbraw/zinc/38/72/10/192387210.db2.gz DWXRZYHWTMBWBC-GHMZBOCLSA-N 0 3 240.778 3.678 20 0 BHADHN CC(C)[C@H](C)CN[C@@H](C)c1ccncc1Cl ZINC000421828700 192387187 /nfs/dbraw/zinc/38/71/87/192387187.db2.gz DWXRZYHWTMBWBC-MNOVXSKESA-N 0 3 240.778 3.678 20 0 BHADHN CC(C)[C@@H](C)CN[C@@H](C)c1ccncc1Cl ZINC000421828701 192387438 /nfs/dbraw/zinc/38/74/38/192387438.db2.gz DWXRZYHWTMBWBC-QWRGUYRKSA-N 0 3 240.778 3.678 20 0 BHADHN CC(C)[C@@H](C)CN[C@H](C)c1ccncc1Cl ZINC000421828702 192386821 /nfs/dbraw/zinc/38/68/21/192386821.db2.gz DWXRZYHWTMBWBC-WDEREUQCSA-N 0 3 240.778 3.678 20 0 BHADHN CC(C)C[C@@H](C)N[C@H](C)c1ccncc1Cl ZINC000421829967 192386779 /nfs/dbraw/zinc/38/67/79/192386779.db2.gz AVQMYVZWCBROKY-GHMZBOCLSA-N 0 3 240.778 3.820 20 0 BHADHN CC(C)C[C@@H](C)N[C@@H](C)c1ccncc1Cl ZINC000421829968 192387406 /nfs/dbraw/zinc/38/74/06/192387406.db2.gz AVQMYVZWCBROKY-MNOVXSKESA-N 0 3 240.778 3.820 20 0 BHADHN CC(C)C[C@H](C)N[C@@H](C)c1ccncc1Cl ZINC000421829969 192386965 /nfs/dbraw/zinc/38/69/65/192386965.db2.gz AVQMYVZWCBROKY-QWRGUYRKSA-N 0 3 240.778 3.820 20 0 BHADHN CC(C)C[C@H](C)N[C@H](C)c1ccncc1Cl ZINC000421829970 192386975 /nfs/dbraw/zinc/38/69/75/192386975.db2.gz AVQMYVZWCBROKY-WDEREUQCSA-N 0 3 240.778 3.820 20 0 BHADHN C[C@H](CC1CC1)N[C@H](C)c1ccncc1Cl ZINC000421836270 192390884 /nfs/dbraw/zinc/39/08/84/192390884.db2.gz QPUSJNUUNKOPHQ-NXEZZACHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](CC1CC1)N[C@@H](C)c1ccncc1Cl ZINC000421836272 192390844 /nfs/dbraw/zinc/39/08/44/192390844.db2.gz QPUSJNUUNKOPHQ-UWVGGRQHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@H](C)CC1CC1)c1ccncc1Cl ZINC000421836277 192391483 /nfs/dbraw/zinc/39/14/83/192391483.db2.gz QPUSJNUUNKOPHQ-VHSXEESVSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](CC1CC1)N[C@@H](C)c1ccncc1Cl ZINC000421836284 192391330 /nfs/dbraw/zinc/39/13/30/192391330.db2.gz QPUSJNUUNKOPHQ-ZJUUUORDSA-N 0 3 238.762 3.574 20 0 BHADHN CCC(CC)CN[C@@H](C)c1ccncc1Cl ZINC000421838853 192392163 /nfs/dbraw/zinc/39/21/63/192392163.db2.gz VYMYVKDXOMZHBK-JTQLQIEISA-N 0 3 240.778 3.822 20 0 BHADHN CCC(CC)CN[C@H](C)c1ccncc1Cl ZINC000421838854 192392186 /nfs/dbraw/zinc/39/21/86/192392186.db2.gz VYMYVKDXOMZHBK-SNVBAGLBSA-N 0 3 240.778 3.822 20 0 BHADHN CC(C)=CCCN[C@H](C)c1ccncc1Cl ZINC000421841510 192392709 /nfs/dbraw/zinc/39/27/09/192392709.db2.gz KQEPXDHLTZYYNS-LLVKDONJSA-N 0 3 238.762 3.742 20 0 BHADHN CC(C)=CCCN[C@@H](C)c1ccncc1Cl ZINC000421841511 192392302 /nfs/dbraw/zinc/39/23/02/192392302.db2.gz KQEPXDHLTZYYNS-NSHDSACASA-N 0 3 238.762 3.742 20 0 BHADHN C[C@H](NCC1(C)CCC1)c1ccncc1Cl ZINC000421841681 192392323 /nfs/dbraw/zinc/39/23/23/192392323.db2.gz JLNYWVQERCAZTA-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCC1(C)CCC1)c1ccncc1Cl ZINC000421841682 192392255 /nfs/dbraw/zinc/39/22/55/192392255.db2.gz JLNYWVQERCAZTA-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN COc1cc(Cl)ccc1[C@@H](C)NC1CCC1 ZINC000421842888 192391870 /nfs/dbraw/zinc/39/18/70/192391870.db2.gz LVWQBUOVYDFUPZ-SECBINFHSA-N 0 3 239.746 3.552 20 0 BHADHN COc1cc(Cl)ccc1[C@H](C)NC1CCC1 ZINC000421842889 192392232 /nfs/dbraw/zinc/39/22/32/192392232.db2.gz LVWQBUOVYDFUPZ-VIFPVBQESA-N 0 3 239.746 3.552 20 0 BHADHN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1ccncc1Cl ZINC000421844290 192393358 /nfs/dbraw/zinc/39/33/58/192393358.db2.gz SXAHQBOHGWMQKK-GMTAPVOTSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1ccncc1Cl ZINC000421844291 192392998 /nfs/dbraw/zinc/39/29/98/192392998.db2.gz SXAHQBOHGWMQKK-MXWKQRLJSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccncc1Cl ZINC000421844292 192393423 /nfs/dbraw/zinc/39/34/23/192393423.db2.gz SXAHQBOHGWMQKK-OUAUKWLOSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1ccncc1Cl ZINC000421844293 192393332 /nfs/dbraw/zinc/39/33/32/192393332.db2.gz SXAHQBOHGWMQKK-VWYCJHECSA-N 0 3 238.762 3.574 20 0 BHADHN CCC[C@@H](CC)N[C@H](C)c1ccncc1Cl ZINC000421845504 192393276 /nfs/dbraw/zinc/39/32/76/192393276.db2.gz QMEKXKKZUAHKHD-GHMZBOCLSA-N 0 3 240.778 3.964 20 0 BHADHN CCC[C@H](CC)N[C@H](C)c1ccncc1Cl ZINC000421845505 192392972 /nfs/dbraw/zinc/39/29/72/192392972.db2.gz QMEKXKKZUAHKHD-MNOVXSKESA-N 0 3 240.778 3.964 20 0 BHADHN CCC[C@H](CC)N[C@@H](C)c1ccncc1Cl ZINC000421845506 192393373 /nfs/dbraw/zinc/39/33/73/192393373.db2.gz QMEKXKKZUAHKHD-QWRGUYRKSA-N 0 3 240.778 3.964 20 0 BHADHN CCC[C@@H](CC)N[C@@H](C)c1ccncc1Cl ZINC000421845507 192393764 /nfs/dbraw/zinc/39/37/64/192393764.db2.gz QMEKXKKZUAHKHD-WDEREUQCSA-N 0 3 240.778 3.964 20 0 BHADHN CCC1(CN[C@@H](C)c2ccncc2Cl)CC1 ZINC000421845960 192393155 /nfs/dbraw/zinc/39/31/55/192393155.db2.gz RKISESWNAXJMJS-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN CCC1(CN[C@H](C)c2ccncc2Cl)CC1 ZINC000421845961 192393049 /nfs/dbraw/zinc/39/30/49/192393049.db2.gz RKISESWNAXJMJS-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@H]1C)c1ccncc1Cl ZINC000421847216 192393720 /nfs/dbraw/zinc/39/37/20/192393720.db2.gz WMENPMZKKZSVRR-GBIKHYSHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@H]1CCC[C@@H]1C)c1ccncc1Cl ZINC000421847217 192393249 /nfs/dbraw/zinc/39/32/49/192393249.db2.gz WMENPMZKKZSVRR-KWBADKCTSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@H]1CCC[C@H]1C)c1ccncc1Cl ZINC000421847218 192393670 /nfs/dbraw/zinc/39/36/70/192393670.db2.gz WMENPMZKKZSVRR-NRUUGDAUSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1ccncc1Cl ZINC000421847219 192393270 /nfs/dbraw/zinc/39/32/70/192393270.db2.gz WMENPMZKKZSVRR-OUJBWJOFSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@H]1CCC1(C)C)c1ccncc1Cl ZINC000421848149 192393193 /nfs/dbraw/zinc/39/31/93/192393193.db2.gz ADUGUMLQLNBZCU-BXKDBHETSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@H]1CCC1(C)C)c1ccncc1Cl ZINC000421848154 192393428 /nfs/dbraw/zinc/39/34/28/192393428.db2.gz ADUGUMLQLNBZCU-CABZTGNLSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@H]1CCC1(C)C)c1ccncc1Cl ZINC000421848155 192392850 /nfs/dbraw/zinc/39/28/50/192392850.db2.gz ADUGUMLQLNBZCU-JOYOIKCWSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@H]1CCC1(C)C)c1ccncc1Cl ZINC000421848159 192392881 /nfs/dbraw/zinc/39/28/81/192392881.db2.gz ADUGUMLQLNBZCU-SKDRFNHKSA-N 0 3 238.762 3.574 20 0 BHADHN CC(C)C1(N[C@@H](C)c2ccncc2Cl)CC1 ZINC000421854617 192389460 /nfs/dbraw/zinc/38/94/60/192389460.db2.gz KYMZVFKBNUDMQG-JTQLQIEISA-N 0 3 238.762 3.574 20 0 BHADHN CC(C)C1(N[C@H](C)c2ccncc2Cl)CC1 ZINC000421854618 192389565 /nfs/dbraw/zinc/38/95/65/192389565.db2.gz KYMZVFKBNUDMQG-SNVBAGLBSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](NCCC1(C)CC1)c1ccncc1Cl ZINC000421858210 192390427 /nfs/dbraw/zinc/39/04/27/192390427.db2.gz QXOWBLAVXNTQNQ-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCCC1(C)CC1)c1ccncc1Cl ZINC000421858211 192390475 /nfs/dbraw/zinc/39/04/75/192390475.db2.gz QXOWBLAVXNTQNQ-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN CCC(C)(C)CN[C@@H](C)c1ccncc1Cl ZINC000421863814 192396321 /nfs/dbraw/zinc/39/63/21/192396321.db2.gz ZBBUCBMXOOYPCD-JTQLQIEISA-N 0 3 240.778 3.822 20 0 BHADHN CCC(C)(C)CN[C@H](C)c1ccncc1Cl ZINC000421863845 192396500 /nfs/dbraw/zinc/39/65/00/192396500.db2.gz ZBBUCBMXOOYPCD-SNVBAGLBSA-N 0 3 240.778 3.822 20 0 BHADHN Cc1cc(CN[C@H](C)c2cccs2)cc(C)n1 ZINC000421867768 192396771 /nfs/dbraw/zinc/39/67/71/192396771.db2.gz CGVAMVVANBQMQK-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc(CN[C@@H](C)c2cccs2)cc(C)n1 ZINC000421867771 192397286 /nfs/dbraw/zinc/39/72/86/192397286.db2.gz CGVAMVVANBQMQK-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC[C@H](C)CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000421878894 206027116 /nfs/dbraw/zinc/02/71/16/206027116.db2.gz MOFPESHGTFSYNT-GXTWGEPZSA-N 0 3 249.402 3.667 20 0 BHADHN CC[C@H](C)CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000421878897 206026907 /nfs/dbraw/zinc/02/69/07/206026907.db2.gz MOFPESHGTFSYNT-JSGCOSHPSA-N 0 3 249.402 3.667 20 0 BHADHN CC[C@@H](C)CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000421878899 206027056 /nfs/dbraw/zinc/02/70/56/206027056.db2.gz MOFPESHGTFSYNT-OCCSQVGLSA-N 0 3 249.402 3.667 20 0 BHADHN CC[C@@H](C)CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000421878902 206026798 /nfs/dbraw/zinc/02/67/98/206026798.db2.gz MOFPESHGTFSYNT-TZMCWYRMSA-N 0 3 249.402 3.667 20 0 BHADHN Cc1cc(CN[C@H](C)c2ccsc2)cc(C)n1 ZINC000421890453 192394886 /nfs/dbraw/zinc/39/48/86/192394886.db2.gz VIOLRNLJMSRPLW-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc(CN[C@@H](C)c2ccsc2)cc(C)n1 ZINC000421890456 192395108 /nfs/dbraw/zinc/39/51/08/192395108.db2.gz VIOLRNLJMSRPLW-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN Clc1cccc(CN[C@H]2CC23CC3)c1Cl ZINC000424180954 385108914 /nfs/dbraw/zinc/10/89/14/385108914.db2.gz ABIRAYKNFMPZKC-JTQLQIEISA-N 0 3 242.149 3.636 20 0 BHADHN Clc1cccc(CN[C@@H]2CC23CC3)c1Cl ZINC000424180959 385109192 /nfs/dbraw/zinc/10/91/92/385109192.db2.gz ABIRAYKNFMPZKC-SNVBAGLBSA-N 0 3 242.149 3.636 20 0 BHADHN Clc1oc2ccccc2c1CN[C@@H]1CC12CC2 ZINC000424181227 385110323 /nfs/dbraw/zinc/11/03/23/385110323.db2.gz BDGVYUWKDRBBHY-GFCCVEGCSA-N 0 3 247.725 3.728 20 0 BHADHN Clc1oc2ccccc2c1CN[C@H]1CC12CC2 ZINC000424181228 200878312 /nfs/dbraw/zinc/87/83/12/200878312.db2.gz BDGVYUWKDRBBHY-LBPRGKRZSA-N 0 3 247.725 3.728 20 0 BHADHN Cc1cc2cc(CN[C@H]3CC34CC4)oc2cc1C ZINC000424181580 385110084 /nfs/dbraw/zinc/11/00/84/385110084.db2.gz CMDNTPIOLPPTMP-HNNXBMFYSA-N 0 3 241.334 3.692 20 0 BHADHN Cc1cc2cc(CN[C@@H]3CC34CC4)oc2cc1C ZINC000424181581 385110266 /nfs/dbraw/zinc/11/02/66/385110266.db2.gz CMDNTPIOLPPTMP-OAHLLOKOSA-N 0 3 241.334 3.692 20 0 BHADHN Clc1ccc(CN[C@@H]2CC23CC3)c(Cl)c1 ZINC000424183197 385111920 /nfs/dbraw/zinc/11/19/20/385111920.db2.gz ITYRIGPXJRLADN-LLVKDONJSA-N 0 3 242.149 3.636 20 0 BHADHN Clc1ccc(CN[C@H]2CC23CC3)c(Cl)c1 ZINC000424183200 385111028 /nfs/dbraw/zinc/11/10/28/385111028.db2.gz ITYRIGPXJRLADN-NSHDSACASA-N 0 3 242.149 3.636 20 0 BHADHN c1cc(-c2ccccc2)oc1CN[C@H]1CC12CC2 ZINC000424183608 385113046 /nfs/dbraw/zinc/11/30/46/385113046.db2.gz KBPSASAQILJYMK-HNNXBMFYSA-N 0 3 239.318 3.589 20 0 BHADHN c1cc(-c2ccccc2)oc1CN[C@@H]1CC12CC2 ZINC000424183609 385112464 /nfs/dbraw/zinc/11/24/64/385112464.db2.gz KBPSASAQILJYMK-OAHLLOKOSA-N 0 3 239.318 3.589 20 0 BHADHN CCCCOc1ccccc1CN[C@H]1CC12CC2 ZINC000424183792 385112541 /nfs/dbraw/zinc/11/25/41/385112541.db2.gz KGPHWRUBBAYWKL-HNNXBMFYSA-N 0 3 245.366 3.508 20 0 BHADHN CCCCOc1ccccc1CN[C@@H]1CC12CC2 ZINC000424183795 385112436 /nfs/dbraw/zinc/11/24/36/385112436.db2.gz KGPHWRUBBAYWKL-OAHLLOKOSA-N 0 3 245.366 3.508 20 0 BHADHN CCc1cccc(Cl)c1CN[C@@H]1CC12CC2 ZINC000424184254 388695223 /nfs/dbraw/zinc/69/52/23/388695223.db2.gz LWERTUSNNSNDEA-CYBMUJFWSA-N 0 3 235.758 3.545 20 0 BHADHN CCc1cccc(Cl)c1CN[C@H]1CC12CC2 ZINC000424184256 385112371 /nfs/dbraw/zinc/11/23/71/385112371.db2.gz LWERTUSNNSNDEA-ZDUSSCGKSA-N 0 3 235.758 3.545 20 0 BHADHN Clc1ccc(CN[C@@H]2CC23CC3)cc1Cl ZINC000424184936 385111166 /nfs/dbraw/zinc/11/11/66/385111166.db2.gz OGZTZFMAYXYNMM-LLVKDONJSA-N 0 3 242.149 3.636 20 0 BHADHN Clc1ccc(CN[C@H]2CC23CC3)cc1Cl ZINC000424184938 200880192 /nfs/dbraw/zinc/88/01/92/200880192.db2.gz OGZTZFMAYXYNMM-NSHDSACASA-N 0 3 242.149 3.636 20 0 BHADHN Clc1ccc(Cl)c(CN[C@@H]2CC23CC3)c1 ZINC000424186971 384781925 /nfs/dbraw/zinc/78/19/25/384781925.db2.gz UDYIJYDUJJNEAQ-LLVKDONJSA-N 0 3 242.149 3.636 20 0 BHADHN Clc1ccc(Cl)c(CN[C@H]2CC23CC3)c1 ZINC000424186973 200883438 /nfs/dbraw/zinc/88/34/38/200883438.db2.gz UDYIJYDUJJNEAQ-NSHDSACASA-N 0 3 242.149 3.636 20 0 BHADHN CCCCOc1ccc(CN[C@H]2CC23CC3)cc1 ZINC000424186996 385103766 /nfs/dbraw/zinc/10/37/66/385103766.db2.gz UIGSOPDDLBBGRU-HNNXBMFYSA-N 0 3 245.366 3.508 20 0 BHADHN CCCCOc1ccc(CN[C@@H]2CC23CC3)cc1 ZINC000424186999 385104270 /nfs/dbraw/zinc/10/42/70/385104270.db2.gz UIGSOPDDLBBGRU-OAHLLOKOSA-N 0 3 245.366 3.508 20 0 BHADHN CCc1oc2ccccc2c1CN[C@H]1CC12CC2 ZINC000424187339 385104215 /nfs/dbraw/zinc/10/42/15/385104215.db2.gz VJOKPCCBYKAQQQ-HNNXBMFYSA-N 0 3 241.334 3.637 20 0 BHADHN CCc1oc2ccccc2c1CN[C@@H]1CC12CC2 ZINC000424187341 385103287 /nfs/dbraw/zinc/10/32/87/385103287.db2.gz VJOKPCCBYKAQQQ-OAHLLOKOSA-N 0 3 241.334 3.637 20 0 BHADHN Clc1cc(Cl)cc(CN[C@@H]2CC23CC3)c1 ZINC000424187401 385104289 /nfs/dbraw/zinc/10/42/89/385104289.db2.gz VSQTVSGYSWLWPE-LLVKDONJSA-N 0 3 242.149 3.636 20 0 BHADHN Clc1cc(Cl)cc(CN[C@H]2CC23CC3)c1 ZINC000424187404 385104024 /nfs/dbraw/zinc/10/40/24/385104024.db2.gz VSQTVSGYSWLWPE-NSHDSACASA-N 0 3 242.149 3.636 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1ccccc1F ZINC000424189308 387911513 /nfs/dbraw/zinc/91/15/13/387911513.db2.gz DFCNZNCJUHGJDQ-RIEGTJTDSA-N 0 3 233.330 3.665 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1C1CCC1)c1ccccc1F ZINC000424189311 387912111 /nfs/dbraw/zinc/91/21/11/387912111.db2.gz DFCNZNCJUHGJDQ-VZJVUDMVSA-N 0 3 233.330 3.665 20 0 BHADHN F[C@]1(c2ccccc2)C[C@H]1NC1CCCCC1 ZINC000424189707 387912847 /nfs/dbraw/zinc/91/28/47/387912847.db2.gz DTIOWXYKNJXHAE-CABCVRRESA-N 0 3 233.330 3.546 20 0 BHADHN F[C@]1(c2ccccc2)C[C@@H]1NC1CCCCC1 ZINC000424189708 387914223 /nfs/dbraw/zinc/91/42/23/387914223.db2.gz DTIOWXYKNJXHAE-GJZGRUSLSA-N 0 3 233.330 3.546 20 0 BHADHN F[C@@]1(c2ccccc2)C[C@H]1NC1CCCCC1 ZINC000424189711 200883766 /nfs/dbraw/zinc/88/37/66/200883766.db2.gz DTIOWXYKNJXHAE-HUUCEWRRSA-N 0 3 233.330 3.546 20 0 BHADHN F[C@@]1(c2ccccc2)C[C@@H]1NC1CCCCC1 ZINC000424189713 387913798 /nfs/dbraw/zinc/91/37/98/387913798.db2.gz DTIOWXYKNJXHAE-LSDHHAIUSA-N 0 3 233.330 3.546 20 0 BHADHN Clc1ccc(CN[C@@H]2C[C@H]2C2CCC2)s1 ZINC000424192524 206035368 /nfs/dbraw/zinc/03/53/68/206035368.db2.gz JCNHUNZHARIJRN-WDEREUQCSA-N 0 3 241.787 3.680 20 0 BHADHN Clc1ccsc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424202986 387929033 /nfs/dbraw/zinc/92/90/33/387929033.db2.gz UCWLGZHXCIMNBD-GXSJLCMTSA-N 0 3 241.787 3.680 20 0 BHADHN Clc1sccc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424204264 398174685 /nfs/dbraw/zinc/17/46/85/398174685.db2.gz VEBRZQAVCRBPJW-WDEREUQCSA-N 0 3 241.787 3.680 20 0 BHADHN CC[C@@H](C)N[C@H](C)c1ccc(OC)cc1Cl ZINC000424266147 491075516 /nfs/dbraw/zinc/07/55/16/491075516.db2.gz WLNLOLZNISESRJ-NXEZZACHSA-N 0 3 241.762 3.798 20 0 BHADHN CC[C@H](C)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000424266148 491075465 /nfs/dbraw/zinc/07/54/65/491075465.db2.gz WLNLOLZNISESRJ-UWVGGRQHSA-N 0 3 241.762 3.798 20 0 BHADHN CC[C@H](C)N[C@H](C)c1ccc(OC)cc1Cl ZINC000424266149 200896013 /nfs/dbraw/zinc/89/60/13/200896013.db2.gz WLNLOLZNISESRJ-VHSXEESVSA-N 0 3 241.762 3.798 20 0 BHADHN CC[C@@H](C)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000424266150 491075513 /nfs/dbraw/zinc/07/55/13/491075513.db2.gz WLNLOLZNISESRJ-ZJUUUORDSA-N 0 3 241.762 3.798 20 0 BHADHN Cc1ccc([C@H](C)NC[C@@H]2C[C@H]2C2CCC2)o1 ZINC000424288717 387953333 /nfs/dbraw/zinc/95/33/33/387953333.db2.gz JCMPYPSKMOXXKD-UBHSHLNASA-N 0 3 233.355 3.675 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@@H]2C[C@H]2C2CCC2)o1 ZINC000424288718 387953061 /nfs/dbraw/zinc/95/30/61/387953061.db2.gz JCMPYPSKMOXXKD-XBFCOCLRSA-N 0 3 233.355 3.675 20 0 BHADHN COc1ccc([C@@H](C)NC2CCC2)c(Cl)c1 ZINC000424298580 387958736 /nfs/dbraw/zinc/95/87/36/387958736.db2.gz IWPFOPVQSPOFLL-SECBINFHSA-N 0 3 239.746 3.552 20 0 BHADHN COc1ccc([C@H](C)NC2CCC2)c(Cl)c1 ZINC000424298583 387959418 /nfs/dbraw/zinc/95/94/18/387959418.db2.gz IWPFOPVQSPOFLL-VIFPVBQESA-N 0 3 239.746 3.552 20 0 BHADHN Cc1c2ccccc2oc1[C@@H](C)N[C@@H]1CC12CC2 ZINC000424313270 385157470 /nfs/dbraw/zinc/15/74/70/385157470.db2.gz AOABUAOEJMTHIQ-BXUZGUMPSA-N 0 3 241.334 3.944 20 0 BHADHN Cc1c2ccccc2oc1[C@H](C)N[C@H]1CC12CC2 ZINC000424313271 385158460 /nfs/dbraw/zinc/15/84/60/385158460.db2.gz AOABUAOEJMTHIQ-FZMZJTMJSA-N 0 3 241.334 3.944 20 0 BHADHN Cc1c2ccccc2oc1[C@@H](C)N[C@H]1CC12CC2 ZINC000424313272 385159193 /nfs/dbraw/zinc/15/91/93/385159193.db2.gz AOABUAOEJMTHIQ-RISCZKNCSA-N 0 3 241.334 3.944 20 0 BHADHN Cc1c2ccccc2oc1[C@H](C)N[C@@H]1CC12CC2 ZINC000424313273 385157417 /nfs/dbraw/zinc/15/74/17/385157417.db2.gz AOABUAOEJMTHIQ-SMDDNHRTSA-N 0 3 241.334 3.944 20 0 BHADHN C[C@@H](N[C@H]1CC12CC2)c1ccc(F)c(Cl)c1 ZINC000424313797 385159307 /nfs/dbraw/zinc/15/93/07/385159307.db2.gz BQCVYKPYEODAIW-PELKAZGASA-N 0 3 239.721 3.682 20 0 BHADHN C[C@@H](N[C@@H]1CC12CC2)c1ccc(F)c(Cl)c1 ZINC000424313800 385158754 /nfs/dbraw/zinc/15/87/54/385158754.db2.gz BQCVYKPYEODAIW-PRHODGIISA-N 0 3 239.721 3.682 20 0 BHADHN C[C@H](N[C@@H]1CC12CC2)c1ccc(F)c(Cl)c1 ZINC000424313802 385158893 /nfs/dbraw/zinc/15/88/93/385158893.db2.gz BQCVYKPYEODAIW-QPUJVOFHSA-N 0 3 239.721 3.682 20 0 BHADHN C[C@H](N[C@H]1CC12CC2)c1ccc(F)c(Cl)c1 ZINC000424313805 385158911 /nfs/dbraw/zinc/15/89/11/385158911.db2.gz BQCVYKPYEODAIW-UFBFGSQYSA-N 0 3 239.721 3.682 20 0 BHADHN CC[C@@H](N[C@@H]1CC12CC2)c1ccc(F)cc1F ZINC000424314331 385158789 /nfs/dbraw/zinc/15/87/89/385158789.db2.gz CGTNTQKBVPECKB-CHWSQXEVSA-N 0 3 237.293 3.558 20 0 BHADHN CC[C@@H](N[C@H]1CC12CC2)c1ccc(F)cc1F ZINC000424314333 385159105 /nfs/dbraw/zinc/15/91/05/385159105.db2.gz CGTNTQKBVPECKB-OLZOCXBDSA-N 0 3 237.293 3.558 20 0 BHADHN CC[C@H](N[C@@H]1CC12CC2)c1ccc(F)cc1F ZINC000424314335 385156427 /nfs/dbraw/zinc/15/64/27/385156427.db2.gz CGTNTQKBVPECKB-QWHCGFSZSA-N 0 3 237.293 3.558 20 0 BHADHN CC[C@H](N[C@H]1CC12CC2)c1ccc(F)cc1F ZINC000424314337 385156602 /nfs/dbraw/zinc/15/66/02/385156602.db2.gz CGTNTQKBVPECKB-STQMWFEESA-N 0 3 237.293 3.558 20 0 BHADHN CC[C@@H](N[C@@H]1CC12CC2)c1ccc(Cl)s1 ZINC000424314695 385156972 /nfs/dbraw/zinc/15/69/72/385156972.db2.gz CNXHXNHQNRXMJG-PSASIEDQSA-N 0 3 241.787 3.995 20 0 BHADHN CC[C@@H](N[C@H]1CC12CC2)c1ccc(Cl)s1 ZINC000424314697 385159267 /nfs/dbraw/zinc/15/92/67/385159267.db2.gz CNXHXNHQNRXMJG-SCZZXKLOSA-N 0 3 241.787 3.995 20 0 BHADHN CC[C@H](N[C@@H]1CC12CC2)c1ccc(Cl)s1 ZINC000424314698 385157127 /nfs/dbraw/zinc/15/71/27/385157127.db2.gz CNXHXNHQNRXMJG-WCBMZHEXSA-N 0 3 241.787 3.995 20 0 BHADHN CC[C@H](N[C@H]1CC12CC2)c1ccc(Cl)s1 ZINC000424314699 385158531 /nfs/dbraw/zinc/15/85/31/385158531.db2.gz CNXHXNHQNRXMJG-WPRPVWTQSA-N 0 3 241.787 3.995 20 0 BHADHN CC[C@@H](N[C@@H]1CC12CC2)c1cc(F)ccc1F ZINC000424315304 385159011 /nfs/dbraw/zinc/15/90/11/385159011.db2.gz DPIOIGRSXVXUTM-CHWSQXEVSA-N 0 3 237.293 3.558 20 0 BHADHN CC[C@@H](N[C@H]1CC12CC2)c1cc(F)ccc1F ZINC000424315306 385159288 /nfs/dbraw/zinc/15/92/88/385159288.db2.gz DPIOIGRSXVXUTM-OLZOCXBDSA-N 0 3 237.293 3.558 20 0 BHADHN CC[C@H](N[C@@H]1CC12CC2)c1cc(F)ccc1F ZINC000424315307 385158261 /nfs/dbraw/zinc/15/82/61/385158261.db2.gz DPIOIGRSXVXUTM-QWHCGFSZSA-N 0 3 237.293 3.558 20 0 BHADHN CC[C@H](N[C@H]1CC12CC2)c1cc(F)ccc1F ZINC000424315309 385158344 /nfs/dbraw/zinc/15/83/44/385158344.db2.gz DPIOIGRSXVXUTM-STQMWFEESA-N 0 3 237.293 3.558 20 0 BHADHN COc1ccccc1[C@@H](C)N[C@@H]1C[C@H]1C1CCC1 ZINC000424315603 387968448 /nfs/dbraw/zinc/96/84/48/387968448.db2.gz AGTQRGPQWQTXPP-BYCMXARLSA-N 0 3 245.366 3.534 20 0 BHADHN COc1ccccc1[C@H](C)N[C@@H]1C[C@H]1C1CCC1 ZINC000424315604 387967726 /nfs/dbraw/zinc/96/77/26/387967726.db2.gz AGTQRGPQWQTXPP-TUKIKUTGSA-N 0 3 245.366 3.534 20 0 BHADHN Cc1ccc([C@@H](N[C@H]2CC23CC3)C2CCC2)o1 ZINC000424316864 385161554 /nfs/dbraw/zinc/16/15/54/385161554.db2.gz GAACCQZORLIJHM-KBPBESRZSA-N 0 3 231.339 3.571 20 0 BHADHN Cc1ccc([C@@H](N[C@@H]2CC23CC3)C2CCC2)o1 ZINC000424316865 385161510 /nfs/dbraw/zinc/16/15/10/385161510.db2.gz GAACCQZORLIJHM-KGLIPLIRSA-N 0 3 231.339 3.571 20 0 BHADHN Cc1ccc([C@H](N[C@H]2CC23CC3)C2CCC2)o1 ZINC000424316866 385160225 /nfs/dbraw/zinc/16/02/25/385160225.db2.gz GAACCQZORLIJHM-UONOGXRCSA-N 0 3 231.339 3.571 20 0 BHADHN Cc1ccc([C@H](N[C@@H]2CC23CC3)C2CCC2)o1 ZINC000424316867 385160430 /nfs/dbraw/zinc/16/04/30/385160430.db2.gz GAACCQZORLIJHM-ZIAGYGMSSA-N 0 3 231.339 3.571 20 0 BHADHN C[C@@H](N[C@@H]1CC12CC2)c1ccccc1Cl ZINC000424317825 385160552 /nfs/dbraw/zinc/16/05/52/385160552.db2.gz HAIOUAUXDPPELW-BXKDBHETSA-N 0 3 221.731 3.543 20 0 BHADHN C[C@H](N[C@H]1CC12CC2)c1ccccc1Cl ZINC000424317827 385160959 /nfs/dbraw/zinc/16/09/59/385160959.db2.gz HAIOUAUXDPPELW-CABZTGNLSA-N 0 3 221.731 3.543 20 0 BHADHN C[C@H](N[C@@H]1CC12CC2)c1ccccc1Cl ZINC000424317830 385160771 /nfs/dbraw/zinc/16/07/71/385160771.db2.gz HAIOUAUXDPPELW-JOYOIKCWSA-N 0 3 221.731 3.543 20 0 BHADHN C[C@@H](N[C@H]1CC12CC2)c1ccccc1Cl ZINC000424317831 385161727 /nfs/dbraw/zinc/16/17/27/385161727.db2.gz HAIOUAUXDPPELW-SKDRFNHKSA-N 0 3 221.731 3.543 20 0 BHADHN Cc1ccc2cc([C@@H](C)N[C@H]3CC34CC4)oc2c1 ZINC000424322021 385163605 /nfs/dbraw/zinc/16/36/05/385163605.db2.gz KYBPOYNCTCKXPY-ABAIWWIYSA-N 0 3 241.334 3.944 20 0 BHADHN Cc1ccc2cc([C@@H](C)N[C@@H]3CC34CC4)oc2c1 ZINC000424322023 385163584 /nfs/dbraw/zinc/16/35/84/385163584.db2.gz KYBPOYNCTCKXPY-IAQYHMDHSA-N 0 3 241.334 3.944 20 0 BHADHN Cc1ccc2cc([C@H](C)N[C@H]3CC34CC4)oc2c1 ZINC000424322025 385163686 /nfs/dbraw/zinc/16/36/86/385163686.db2.gz KYBPOYNCTCKXPY-NHYWBVRUSA-N 0 3 241.334 3.944 20 0 BHADHN Cc1ccc2cc([C@H](C)N[C@@H]3CC34CC4)oc2c1 ZINC000424322027 385163087 /nfs/dbraw/zinc/16/30/87/385163087.db2.gz KYBPOYNCTCKXPY-XHDPSFHLSA-N 0 3 241.334 3.944 20 0 BHADHN c1ccc(C(N[C@H]2CC23CC3)c2ccccc2)cc1 ZINC000424323378 385164457 /nfs/dbraw/zinc/16/44/57/385164457.db2.gz MANSDFXMUWPDND-INIZCTEOSA-N 0 3 249.357 3.918 20 0 BHADHN c1ccc(C(N[C@@H]2CC23CC3)c2ccccc2)cc1 ZINC000424323386 200911226 /nfs/dbraw/zinc/91/12/26/200911226.db2.gz MANSDFXMUWPDND-MRXNPFEDSA-N 0 3 249.357 3.918 20 0 BHADHN Cc1ccc([C@@H](N[C@@H]2CC23CC3)C2CCCC2)o1 ZINC000424323739 385164398 /nfs/dbraw/zinc/16/43/98/385164398.db2.gz MFWDJYOGBKNBOF-CABCVRRESA-N 0 3 245.366 3.961 20 0 BHADHN Cc1ccc([C@@H](N[C@H]2CC23CC3)C2CCCC2)o1 ZINC000424323742 385163696 /nfs/dbraw/zinc/16/36/96/385163696.db2.gz MFWDJYOGBKNBOF-GJZGRUSLSA-N 0 3 245.366 3.961 20 0 BHADHN Cc1ccc([C@H](N[C@@H]2CC23CC3)C2CCCC2)o1 ZINC000424323744 385163651 /nfs/dbraw/zinc/16/36/51/385163651.db2.gz MFWDJYOGBKNBOF-HUUCEWRRSA-N 0 3 245.366 3.961 20 0 BHADHN Cc1ccc([C@H](N[C@H]2CC23CC3)C2CCCC2)o1 ZINC000424323747 385162890 /nfs/dbraw/zinc/16/28/90/385162890.db2.gz MFWDJYOGBKNBOF-LSDHHAIUSA-N 0 3 245.366 3.961 20 0 BHADHN c1ccc2c(c1)-c1ccccc1C2N[C@H]1CC12CC2 ZINC000424326219 385166067 /nfs/dbraw/zinc/16/60/67/385166067.db2.gz OPZZLYDSRGEQKB-INIZCTEOSA-N 0 3 247.341 3.899 20 0 BHADHN c1ccc2c(c1)-c1ccccc1C2N[C@@H]1CC12CC2 ZINC000424326221 385166492 /nfs/dbraw/zinc/16/64/92/385166492.db2.gz OPZZLYDSRGEQKB-MRXNPFEDSA-N 0 3 247.341 3.899 20 0 BHADHN C[C@@H](N[C@H]1CC12CC2)c1ccc(F)cc1Cl ZINC000424328993 206036988 /nfs/dbraw/zinc/03/69/88/206036988.db2.gz RLHKQDOHNPZMNC-PELKAZGASA-N 0 3 239.721 3.682 20 0 BHADHN C[C@@H](N[C@@H]1CC12CC2)c1ccc(F)cc1Cl ZINC000424328995 206037729 /nfs/dbraw/zinc/03/77/29/206037729.db2.gz RLHKQDOHNPZMNC-PRHODGIISA-N 0 3 239.721 3.682 20 0 BHADHN C[C@H](N[C@@H]1CC12CC2)c1ccc(F)cc1Cl ZINC000424328997 206037740 /nfs/dbraw/zinc/03/77/40/206037740.db2.gz RLHKQDOHNPZMNC-QPUJVOFHSA-N 0 3 239.721 3.682 20 0 BHADHN C[C@H](N[C@H]1CC12CC2)c1ccc(F)cc1Cl ZINC000424328999 206037163 /nfs/dbraw/zinc/03/71/63/206037163.db2.gz RLHKQDOHNPZMNC-UFBFGSQYSA-N 0 3 239.721 3.682 20 0 BHADHN CCC[C@H](N[C@@H]1C[C@H]1C1CCC1)c1ccccn1 ZINC000424330515 387975514 /nfs/dbraw/zinc/97/55/14/387975514.db2.gz QXGLADXEGDDSKF-CWRNSKLLSA-N 0 3 244.382 3.701 20 0 BHADHN CCC[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1ccccn1 ZINC000424330516 200914198 /nfs/dbraw/zinc/91/41/98/200914198.db2.gz QXGLADXEGDDSKF-NUEKZKHPSA-N 0 3 244.382 3.701 20 0 BHADHN C[C@H](N[C@H]1CC12CC2)c1cc2ccccc2o1 ZINC000424330661 385169355 /nfs/dbraw/zinc/16/93/55/385169355.db2.gz ULKLKYWGNLHIBO-HZMBPMFUSA-N 0 3 227.307 3.636 20 0 BHADHN C[C@H](N[C@@H]1CC12CC2)c1cc2ccccc2o1 ZINC000424330663 385168705 /nfs/dbraw/zinc/16/87/05/385168705.db2.gz ULKLKYWGNLHIBO-IINYFYTJSA-N 0 3 227.307 3.636 20 0 BHADHN C[C@@H](N[C@@H]1CC12CC2)c1cc2ccccc2o1 ZINC000424330665 385170008 /nfs/dbraw/zinc/17/00/08/385170008.db2.gz ULKLKYWGNLHIBO-QMTHXVAHSA-N 0 3 227.307 3.636 20 0 BHADHN C[C@@H](N[C@H]1CC12CC2)c1cc2ccccc2o1 ZINC000424330667 385170021 /nfs/dbraw/zinc/17/00/21/385170021.db2.gz ULKLKYWGNLHIBO-YGRLFVJLSA-N 0 3 227.307 3.636 20 0 BHADHN CC[C@H](N[C@@H]1CC12CC2)c1cc(C)ccc1OC ZINC000424331120 385168315 /nfs/dbraw/zinc/16/83/15/385168315.db2.gz VCJGIZRVTGEITI-DZGCQCFKSA-N 0 3 245.366 3.597 20 0 BHADHN CC[C@@H](N[C@H]1CC12CC2)c1cc(C)ccc1OC ZINC000424331121 385168747 /nfs/dbraw/zinc/16/87/47/385168747.db2.gz VCJGIZRVTGEITI-HIFRSBDPSA-N 0 3 245.366 3.597 20 0 BHADHN CC[C@@H](N[C@@H]1CC12CC2)c1cc(C)ccc1OC ZINC000424331122 385168837 /nfs/dbraw/zinc/16/88/37/385168837.db2.gz VCJGIZRVTGEITI-UKRRQHHQSA-N 0 3 245.366 3.597 20 0 BHADHN CC[C@H](N[C@H]1CC12CC2)c1cc(C)ccc1OC ZINC000424331123 385169821 /nfs/dbraw/zinc/16/98/21/385169821.db2.gz VCJGIZRVTGEITI-ZFWWWQNUSA-N 0 3 245.366 3.597 20 0 BHADHN F[C@]1(c2ccccc2)C[C@@H]1N[C@H]1CCC12CCC2 ZINC000424333511 387977525 /nfs/dbraw/zinc/97/75/25/387977525.db2.gz XRUREGYJHAFWQS-DZKIICNBSA-N 0 3 245.341 3.546 20 0 BHADHN F[C@]1(c2ccccc2)C[C@H]1N[C@@H]1CCC12CCC2 ZINC000424333513 387976581 /nfs/dbraw/zinc/97/65/81/387976581.db2.gz XRUREGYJHAFWQS-FMKPAKJESA-N 0 3 245.341 3.546 20 0 BHADHN F[C@]1(c2ccccc2)C[C@H]1N[C@H]1CCC12CCC2 ZINC000424333516 387977161 /nfs/dbraw/zinc/97/71/61/387977161.db2.gz XRUREGYJHAFWQS-LZWOXQAQSA-N 0 3 245.341 3.546 20 0 BHADHN F[C@]1(c2ccccc2)C[C@@H]1N[C@@H]1CCC12CCC2 ZINC000424333518 387977002 /nfs/dbraw/zinc/97/70/02/387977002.db2.gz XRUREGYJHAFWQS-YCPHGPKFSA-N 0 3 245.341 3.546 20 0 BHADHN C[C@@H](N[C@@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424335123 385149330 /nfs/dbraw/zinc/14/93/30/385149330.db2.gz ZIHPLLOJLRPCMW-BXKDBHETSA-N 0 3 221.731 3.543 20 0 BHADHN C[C@H](N[C@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424335125 385148304 /nfs/dbraw/zinc/14/83/04/385148304.db2.gz ZIHPLLOJLRPCMW-CABZTGNLSA-N 0 3 221.731 3.543 20 0 BHADHN C[C@H](N[C@@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424335127 385148106 /nfs/dbraw/zinc/14/81/06/385148106.db2.gz ZIHPLLOJLRPCMW-JOYOIKCWSA-N 0 3 221.731 3.543 20 0 BHADHN C[C@@H](N[C@H]1CC12CC2)c1cccc(Cl)c1 ZINC000424335129 385148208 /nfs/dbraw/zinc/14/82/08/385148208.db2.gz ZIHPLLOJLRPCMW-SKDRFNHKSA-N 0 3 221.731 3.543 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2C2CCC2)oc1C ZINC000424335440 387978674 /nfs/dbraw/zinc/97/86/74/387978674.db2.gz WPROUDGGCUCBKM-DDTOSNHZSA-N 0 3 233.355 3.736 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]2C2CCC2)oc1C ZINC000424335444 387978967 /nfs/dbraw/zinc/97/89/67/387978967.db2.gz WPROUDGGCUCBKM-LEWSCRJBSA-N 0 3 233.355 3.736 20 0 BHADHN CC(C)CC[C@H](N[C@H]1CC12CC2)c1ccoc1 ZINC000424335600 385150260 /nfs/dbraw/zinc/15/02/60/385150260.db2.gz ZUUOSMPSBCRPFO-KBPBESRZSA-N 0 3 233.355 3.899 20 0 BHADHN CC(C)CC[C@@H](N[C@H]1CC12CC2)c1ccoc1 ZINC000424335601 385151613 /nfs/dbraw/zinc/15/16/13/385151613.db2.gz ZUUOSMPSBCRPFO-KGLIPLIRSA-N 0 3 233.355 3.899 20 0 BHADHN CC(C)CC[C@H](N[C@@H]1CC12CC2)c1ccoc1 ZINC000424335602 385151559 /nfs/dbraw/zinc/15/15/59/385151559.db2.gz ZUUOSMPSBCRPFO-UONOGXRCSA-N 0 3 233.355 3.899 20 0 BHADHN CC(C)CC[C@@H](N[C@@H]1CC12CC2)c1ccoc1 ZINC000424335603 385150603 /nfs/dbraw/zinc/15/06/03/385150603.db2.gz ZUUOSMPSBCRPFO-ZIAGYGMSSA-N 0 3 233.355 3.899 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]2C2CCC2)c(C)o1 ZINC000424337184 387980864 /nfs/dbraw/zinc/98/08/64/387980864.db2.gz ZCHYYFRWMHPUCN-NZVBXONLSA-N 0 3 233.355 3.736 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2C2CCC2)c(C)o1 ZINC000424337186 387980560 /nfs/dbraw/zinc/98/05/60/387980560.db2.gz ZCHYYFRWMHPUCN-WKPIXPDZSA-N 0 3 233.355 3.736 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@H](C3CC3)C2)no1 ZINC000424340484 387982243 /nfs/dbraw/zinc/98/22/43/387982243.db2.gz CRIKDNCUXIGYRX-FPMFFAJLSA-N 0 3 248.370 3.602 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CCC[C@H](C3CC3)C2)no1 ZINC000424340486 387982006 /nfs/dbraw/zinc/98/20/06/387982006.db2.gz CRIKDNCUXIGYRX-KWCYVHTRSA-N 0 3 248.370 3.602 20 0 BHADHN CCN(Cc1cncn1C(C)C)C1CCCCC1 ZINC000425319538 386557382 /nfs/dbraw/zinc/55/73/82/386557382.db2.gz CUYIZAHFDDKNAD-UHFFFAOYSA-N 0 3 249.402 3.619 20 0 BHADHN CC(C)n1cncc1CN(C)C1CCCCCC1 ZINC000425332266 386844951 /nfs/dbraw/zinc/84/49/51/386844951.db2.gz YQAKMXFRVNHAIP-UHFFFAOYSA-N 0 3 249.402 3.619 20 0 BHADHN CCC[C@H]1CCCCN1Cc1cncn1C(C)C ZINC000425338401 398214823 /nfs/dbraw/zinc/21/48/23/398214823.db2.gz PGEXJRBVUZMENM-AWEZNQCLSA-N 0 3 249.402 3.619 20 0 BHADHN CCC[C@@H]1CCCCN1Cc1cncn1C(C)C ZINC000425338402 398214764 /nfs/dbraw/zinc/21/47/64/398214764.db2.gz PGEXJRBVUZMENM-CQSZACIVSA-N 0 3 249.402 3.619 20 0 BHADHN F[C@@]1(c2ccccc2)C[C@H]1NC1CC2(CCC2)C1 ZINC000425354173 386964459 /nfs/dbraw/zinc/96/44/59/386964459.db2.gz MNRFWVZIGSYXTI-GDBMZVCRSA-N 0 3 245.341 3.546 20 0 BHADHN F[C@@]1(c2ccccc2)C[C@@H]1NC1CC2(CCC2)C1 ZINC000425354177 386964629 /nfs/dbraw/zinc/96/46/29/386964629.db2.gz MNRFWVZIGSYXTI-GOEBONIOSA-N 0 3 245.341 3.546 20 0 BHADHN F[C@]1(c2ccccc2)C[C@@H]1NC1CC2(CCC2)C1 ZINC000425354181 386962757 /nfs/dbraw/zinc/96/27/57/386962757.db2.gz MNRFWVZIGSYXTI-HOCLYGCPSA-N 0 3 245.341 3.546 20 0 BHADHN F[C@]1(c2ccccc2)C[C@H]1NC1CC2(CCC2)C1 ZINC000425354184 386964549 /nfs/dbraw/zinc/96/45/49/386964549.db2.gz MNRFWVZIGSYXTI-ZBFHGGJFSA-N 0 3 245.341 3.546 20 0 BHADHN FC(F)CC1CN(CCCC2CCCCC2)C1 ZINC000425367348 387024704 /nfs/dbraw/zinc/02/47/04/387024704.db2.gz SNURCBURACGHDJ-UHFFFAOYSA-N 0 3 245.357 3.934 20 0 BHADHN CC(=O)c1ccc(CN2CC[C@@H](C)C[C@H]2C)cc1 ZINC000425522101 386324187 /nfs/dbraw/zinc/32/41/87/386324187.db2.gz LYXBOVWBGUDRSN-CHWSQXEVSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN2CC[C@@H](C)C[C@H]2C)c1 ZINC000425526323 386310955 /nfs/dbraw/zinc/31/09/55/386310955.db2.gz WMASBYMJIZGIHJ-CHWSQXEVSA-N 0 3 245.366 3.510 20 0 BHADHN C[C@@H](NCc1ccc(C2CC2)cc1F)C1(C)CC1 ZINC000425943176 205834890 /nfs/dbraw/zinc/83/48/90/205834890.db2.gz IIHKCQPHEFFDJB-LLVKDONJSA-N 0 3 247.357 3.981 20 0 BHADHN C[C@H](NCc1ccc(C2CC2)cc1F)C1(C)CC1 ZINC000425943179 386752892 /nfs/dbraw/zinc/75/28/92/386752892.db2.gz IIHKCQPHEFFDJB-NSHDSACASA-N 0 3 247.357 3.981 20 0 BHADHN CC1CC(NCc2ccc(C3CC3)cc2F)C1 ZINC000425949968 386915710 /nfs/dbraw/zinc/91/57/10/386915710.db2.gz IEZZHIYIBIABEQ-UHFFFAOYSA-N 0 3 233.330 3.591 20 0 BHADHN CCC[C@@H](C)NCc1ccc(C2CC2)cc1F ZINC000425954726 386917980 /nfs/dbraw/zinc/91/79/80/386917980.db2.gz WVEFNLFCVCJWIX-LLVKDONJSA-N 0 3 235.346 3.981 20 0 BHADHN CCC[C@H](C)NCc1ccc(C2CC2)cc1F ZINC000425954727 386919106 /nfs/dbraw/zinc/91/91/06/386919106.db2.gz WVEFNLFCVCJWIX-NSHDSACASA-N 0 3 235.346 3.981 20 0 BHADHN Clc1csc(CN2CCCC23CCC3)c1 ZINC000426001147 386007173 /nfs/dbraw/zinc/00/71/73/386007173.db2.gz WINDLVIMSBZMPX-UHFFFAOYSA-N 0 3 241.787 3.920 20 0 BHADHN CCCc1csc(CN(C)[C@H](C)C(C)C)n1 ZINC000426038207 386527567 /nfs/dbraw/zinc/52/75/67/386527567.db2.gz WWMXWXUPWMHAQE-LLVKDONJSA-N 0 3 240.416 3.572 20 0 BHADHN CCCc1csc(CN(C)[C@@H](C)C(C)C)n1 ZINC000426038208 386526394 /nfs/dbraw/zinc/52/63/94/386526394.db2.gz WWMXWXUPWMHAQE-NSHDSACASA-N 0 3 240.416 3.572 20 0 BHADHN Cc1ccc2cc([C@@H](C)NC3CCC3)oc2c1 ZINC000426048937 386645911 /nfs/dbraw/zinc/64/59/11/386645911.db2.gz KFIVFUKDPMGISG-LLVKDONJSA-N 0 3 229.323 3.944 20 0 BHADHN Cc1ccc2cc([C@H](C)NC3CCC3)oc2c1 ZINC000426048938 386645725 /nfs/dbraw/zinc/64/57/25/386645725.db2.gz KFIVFUKDPMGISG-NSHDSACASA-N 0 3 229.323 3.944 20 0 BHADHN Clc1csc(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000426163412 387544011 /nfs/dbraw/zinc/54/40/11/387544011.db2.gz WGLJXWQOWCZIJL-BXKDBHETSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1csc(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426163413 387543822 /nfs/dbraw/zinc/54/38/22/387543822.db2.gz WGLJXWQOWCZIJL-CABZTGNLSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1csc(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000426163414 387543196 /nfs/dbraw/zinc/54/31/96/387543196.db2.gz WGLJXWQOWCZIJL-JOYOIKCWSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1csc(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000426163415 387542214 /nfs/dbraw/zinc/54/22/14/387542214.db2.gz WGLJXWQOWCZIJL-SKDRFNHKSA-N 0 3 241.787 3.776 20 0 BHADHN Cc1ccoc1CN[C@H](C)CCc1ccsc1 ZINC000426332749 387556268 /nfs/dbraw/zinc/55/62/68/387556268.db2.gz DWCXELKDYBUBOZ-GFCCVEGCSA-N 0 3 249.379 3.760 20 0 BHADHN Cc1ccoc1CN[C@@H](C)CCc1ccsc1 ZINC000426332750 387557112 /nfs/dbraw/zinc/55/71/12/387557112.db2.gz DWCXELKDYBUBOZ-LBPRGKRZSA-N 0 3 249.379 3.760 20 0 BHADHN CCCc1nc(C)c(CN[C@H](CC)CCC)o1 ZINC000426341347 387556471 /nfs/dbraw/zinc/55/64/71/387556471.db2.gz BKNKMOAGUFUAIA-GFCCVEGCSA-N 0 3 238.375 3.604 20 0 BHADHN CCCc1nc(C)c(CN[C@@H](CC)CCC)o1 ZINC000426341348 387556096 /nfs/dbraw/zinc/55/60/96/387556096.db2.gz BKNKMOAGUFUAIA-LBPRGKRZSA-N 0 3 238.375 3.604 20 0 BHADHN CCCC[C@@H](C)NCc1oc(CCC)nc1C ZINC000426354070 387558771 /nfs/dbraw/zinc/55/87/71/387558771.db2.gz YADYDTQVCWRXKM-LLVKDONJSA-N 0 3 238.375 3.604 20 0 BHADHN CCCC[C@H](C)NCc1oc(CCC)nc1C ZINC000426354071 387558008 /nfs/dbraw/zinc/55/80/08/387558008.db2.gz YADYDTQVCWRXKM-NSHDSACASA-N 0 3 238.375 3.604 20 0 BHADHN Cc1nc2ccc(CN3CCCCC3)cc2s1 ZINC000426355446 387559205 /nfs/dbraw/zinc/55/92/05/387559205.db2.gz AEYUVVCPIJXYIU-UHFFFAOYSA-N 0 3 246.379 3.591 20 0 BHADHN C[C@@H]1CCN(C/C=C\c2ccccc2)CCS1 ZINC000426388698 387563310 /nfs/dbraw/zinc/56/33/10/387563310.db2.gz AEMLITQYVWGIEZ-BMWLXYDHSA-N 0 3 247.407 3.527 20 0 BHADHN C[C@H]1CCN(C/C=C\c2ccccc2)CCS1 ZINC000426388699 387563475 /nfs/dbraw/zinc/56/34/75/387563475.db2.gz AEMLITQYVWGIEZ-PODYEWJSSA-N 0 3 247.407 3.527 20 0 BHADHN Cc1nc2ccc(CN3CCC[C@@H]3C)cc2s1 ZINC000426412002 387566841 /nfs/dbraw/zinc/56/68/41/387566841.db2.gz SOTYTXDFMYTDMZ-JTQLQIEISA-N 0 3 246.379 3.589 20 0 BHADHN Cc1nc2ccc(CN3CCC[C@H]3C)cc2s1 ZINC000426412111 387567559 /nfs/dbraw/zinc/56/75/59/387567559.db2.gz SOTYTXDFMYTDMZ-SNVBAGLBSA-N 0 3 246.379 3.589 20 0 BHADHN Clc1ccc(CN2CC[C@@H]3CCC[C@H]32)s1 ZINC000426477025 384831186 /nfs/dbraw/zinc/83/11/86/384831186.db2.gz YWXDOYJQNZJXFQ-GXSJLCMTSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1ccc(CN2CC[C@H]3CCC[C@@H]32)s1 ZINC000426477026 384831333 /nfs/dbraw/zinc/83/13/33/384831333.db2.gz YWXDOYJQNZJXFQ-KOLCDFICSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1ccc(CN2CC[C@H]3CCC[C@H]32)s1 ZINC000426477027 384829522 /nfs/dbraw/zinc/82/95/22/384829522.db2.gz YWXDOYJQNZJXFQ-MWLCHTKSSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1ccc(CN2CC[C@@H]3CCC[C@@H]32)s1 ZINC000426477028 384830103 /nfs/dbraw/zinc/83/01/03/384830103.db2.gz YWXDOYJQNZJXFQ-ONGXEEELSA-N 0 3 241.787 3.776 20 0 BHADHN CC(C)CCCN(C)Cc1nc2ccccc2o1 ZINC000426477071 384831684 /nfs/dbraw/zinc/83/16/84/384831684.db2.gz ZLTOSDKEJJUDLQ-UHFFFAOYSA-N 0 3 246.354 3.696 20 0 BHADHN CN(Cc1ccc(Cl)o1)C1(C)CCCC1 ZINC000426495153 387577542 /nfs/dbraw/zinc/57/75/42/387577542.db2.gz JSQFKMIPIRLMLL-UHFFFAOYSA-N 0 3 227.735 3.698 20 0 BHADHN Clc1ccccc1CN1CC[C@H]2CCC[C@H]21 ZINC000426522637 387578604 /nfs/dbraw/zinc/57/86/04/387578604.db2.gz KTNOAMLBUQTVKT-BXUZGUMPSA-N 0 3 235.758 3.714 20 0 BHADHN Clc1ccccc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426522638 387578716 /nfs/dbraw/zinc/57/87/16/387578716.db2.gz KTNOAMLBUQTVKT-FZMZJTMJSA-N 0 3 235.758 3.714 20 0 BHADHN Clc1ccccc1CN1CC[C@H]2CCC[C@@H]21 ZINC000426522639 387578706 /nfs/dbraw/zinc/57/87/06/387578706.db2.gz KTNOAMLBUQTVKT-RISCZKNCSA-N 0 3 235.758 3.714 20 0 BHADHN Clc1ccccc1CN1CC[C@@H]2CCC[C@H]21 ZINC000426522640 387578521 /nfs/dbraw/zinc/57/85/21/387578521.db2.gz KTNOAMLBUQTVKT-SMDDNHRTSA-N 0 3 235.758 3.714 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN(C)[C@@H]2CC2(C)C)o1 ZINC000426536665 191096972 /nfs/dbraw/zinc/09/69/72/191096972.db2.gz CBZBNPUQIYQJBS-MPKXVKKWSA-N 0 3 233.355 3.633 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN(C)[C@H]2CC2(C)C)o1 ZINC000426536670 191096568 /nfs/dbraw/zinc/09/65/68/191096568.db2.gz CBZBNPUQIYQJBS-OSMZGAPFSA-N 0 3 233.355 3.633 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN(C)[C@H]2CC2(C)C)o1 ZINC000426536671 191097790 /nfs/dbraw/zinc/09/77/90/191097790.db2.gz CBZBNPUQIYQJBS-QKCSRTOESA-N 0 3 233.355 3.633 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN(C)[C@@H]2CC2(C)C)o1 ZINC000426536672 191097062 /nfs/dbraw/zinc/09/70/62/191097062.db2.gz CBZBNPUQIYQJBS-SCDSUCTJSA-N 0 3 233.355 3.633 20 0 BHADHN CN(C/C=C/c1ccc(F)cc1)[C@@H]1CC1(C)C ZINC000426541842 387580094 /nfs/dbraw/zinc/58/00/94/387580094.db2.gz WQURUNXDSQXKOR-ISZGNANSSA-N 0 3 233.330 3.569 20 0 BHADHN CN(C/C=C/c1ccc(F)cc1)[C@H]1CC1(C)C ZINC000426541870 387581115 /nfs/dbraw/zinc/58/11/15/387581115.db2.gz WQURUNXDSQXKOR-NNTXTVRGSA-N 0 3 233.330 3.569 20 0 BHADHN CN(C/C=C\c1ccc(F)cc1)[C@H]1CC1(C)C ZINC000426541871 387579704 /nfs/dbraw/zinc/57/97/04/387579704.db2.gz WQURUNXDSQXKOR-WSNITJDQSA-N 0 3 233.330 3.569 20 0 BHADHN CN(C/C=C\c1ccc(F)cc1)[C@@H]1CC1(C)C ZINC000426541872 387581489 /nfs/dbraw/zinc/58/14/89/387581489.db2.gz WQURUNXDSQXKOR-ZRUQZJFASA-N 0 3 233.330 3.569 20 0 BHADHN CN(Cc1cc2ccc(F)cc2[nH]1)[C@H]1CC1(C)C ZINC000426549949 387580932 /nfs/dbraw/zinc/58/09/32/387580932.db2.gz UZGGIPNYVZORBB-AWEZNQCLSA-N 0 3 246.329 3.537 20 0 BHADHN CN(Cc1cc2ccc(F)cc2[nH]1)[C@@H]1CC1(C)C ZINC000426549950 387580193 /nfs/dbraw/zinc/58/01/93/387580193.db2.gz UZGGIPNYVZORBB-CQSZACIVSA-N 0 3 246.329 3.537 20 0 BHADHN CN(Cc1cc(Cl)cs1)[C@H]1CC1(C)C ZINC000426561678 206052127 /nfs/dbraw/zinc/05/21/27/206052127.db2.gz OYSGTTHJAHAXND-JTQLQIEISA-N 0 3 229.776 3.632 20 0 BHADHN CN(Cc1cc(Cl)cs1)[C@@H]1CC1(C)C ZINC000426561679 206052634 /nfs/dbraw/zinc/05/26/34/206052634.db2.gz OYSGTTHJAHAXND-SNVBAGLBSA-N 0 3 229.776 3.632 20 0 BHADHN CN(Cc1cc2c(cccc2F)[nH]1)[C@H]1CC1(C)C ZINC000426577585 206052340 /nfs/dbraw/zinc/05/23/40/206052340.db2.gz DBSKACCBXANQBH-AWEZNQCLSA-N 0 3 246.329 3.537 20 0 BHADHN CN(Cc1cc2c(cccc2F)[nH]1)[C@@H]1CC1(C)C ZINC000426577586 206052187 /nfs/dbraw/zinc/05/21/87/206052187.db2.gz DBSKACCBXANQBH-CQSZACIVSA-N 0 3 246.329 3.537 20 0 BHADHN CN(Cc1coc2ccccc12)[C@H]1CC1(C)C ZINC000426582371 360526405 /nfs/dbraw/zinc/52/64/05/360526405.db2.gz ZNFDMKKTQFPTMC-AWEZNQCLSA-N 0 3 229.323 3.663 20 0 BHADHN CN(Cc1coc2ccccc12)[C@@H]1CC1(C)C ZINC000426582372 360526579 /nfs/dbraw/zinc/52/65/79/360526579.db2.gz ZNFDMKKTQFPTMC-CQSZACIVSA-N 0 3 229.323 3.663 20 0 BHADHN Cc1cccc(CN2CCC(C)(C(C)C)CC2)n1 ZINC000426732306 411282129 /nfs/dbraw/zinc/28/21/29/411282129.db2.gz SMPCRYJMHSDLSA-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1cccnc1CN1CCC(C)(C(C)C)CC1 ZINC000426741030 398220429 /nfs/dbraw/zinc/22/04/29/398220429.db2.gz CWQCSOLUEJBXGU-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CC(C)C1(C)CCN([C@@H](C)c2cccnc2)CC1 ZINC000426741540 398220650 /nfs/dbraw/zinc/22/06/50/398220650.db2.gz LVGBUHDAMBJVBL-AWEZNQCLSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)C1(C)CCN([C@H](C)c2cccnc2)CC1 ZINC000426741541 398220604 /nfs/dbraw/zinc/22/06/04/398220604.db2.gz LVGBUHDAMBJVBL-CQSZACIVSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)C1(C)CCN(CCC(F)(F)F)CC1 ZINC000426741865 397982473 /nfs/dbraw/zinc/98/24/73/397982473.db2.gz HRIBINCOHDZLAU-UHFFFAOYSA-N 0 3 237.309 3.697 20 0 BHADHN Cc1ccc(CN2CCC(C)(C(C)C)CC2)nc1 ZINC000426767427 384890599 /nfs/dbraw/zinc/89/05/99/384890599.db2.gz MTVFZZVOABXNQF-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CC(C)O[C@@H](CN(C)C1CCC1)c1ccccc1 ZINC000428214281 398222449 /nfs/dbraw/zinc/22/24/49/398222449.db2.gz CBKWTYBWFLDDCA-INIZCTEOSA-N 0 3 247.382 3.637 20 0 BHADHN CC(C)O[C@H](CN(C)C1CCC1)c1ccccc1 ZINC000428214282 398222833 /nfs/dbraw/zinc/22/28/33/398222833.db2.gz CBKWTYBWFLDDCA-MRXNPFEDSA-N 0 3 247.382 3.637 20 0 BHADHN Cc1nc(C(C)C)oc1CN(C)CC(C)(C)C ZINC000428229555 206054417 /nfs/dbraw/zinc/05/44/17/206054417.db2.gz NGWPEFDJPAACSJ-UHFFFAOYSA-N 0 3 238.375 3.584 20 0 BHADHN CC[C@@H](C)CN(C)Cc1oc(C(C)C)nc1C ZINC000428251820 201004084 /nfs/dbraw/zinc/00/40/84/201004084.db2.gz YUUVANJSJYKPIU-LLVKDONJSA-N 0 3 238.375 3.584 20 0 BHADHN CC[C@H](C)CN(C)Cc1oc(C(C)C)nc1C ZINC000428251821 201003445 /nfs/dbraw/zinc/00/34/45/201003445.db2.gz YUUVANJSJYKPIU-NSHDSACASA-N 0 3 238.375 3.584 20 0 BHADHN CN(CCCC1CCCCC1)Cc1ccccn1 ZINC000428266450 201004312 /nfs/dbraw/zinc/00/43/12/201004312.db2.gz DJCAZYSSKAEZLZ-UHFFFAOYSA-N 0 3 246.398 3.874 20 0 BHADHN CC1=C[C@H](C)C[C@@H](CN(C)Cc2ccccn2)C1 ZINC000428267137 201004097 /nfs/dbraw/zinc/00/40/97/201004097.db2.gz HCCKUYYJEXCKDR-DZGCQCFKSA-N 0 3 244.382 3.506 20 0 BHADHN CC1=C[C@@H](C)C[C@H](CN(C)Cc2ccccn2)C1 ZINC000428267154 201004003 /nfs/dbraw/zinc/00/40/03/201004003.db2.gz HCCKUYYJEXCKDR-HIFRSBDPSA-N 0 3 244.382 3.506 20 0 BHADHN CC1=C[C@@H](C)C[C@@H](CN(C)Cc2ccccn2)C1 ZINC000428267155 201004139 /nfs/dbraw/zinc/00/41/39/201004139.db2.gz HCCKUYYJEXCKDR-UKRRQHHQSA-N 0 3 244.382 3.506 20 0 BHADHN CC1=C[C@H](C)C[C@H](CN(C)Cc2ccccn2)C1 ZINC000428267156 201004703 /nfs/dbraw/zinc/00/47/03/201004703.db2.gz HCCKUYYJEXCKDR-ZFWWWQNUSA-N 0 3 244.382 3.506 20 0 BHADHN CN(CCCC1CCCCC1)Cc1cccnc1 ZINC000428274397 201005483 /nfs/dbraw/zinc/00/54/83/201005483.db2.gz IFLWEIJKQGXBIC-UHFFFAOYSA-N 0 3 246.398 3.874 20 0 BHADHN CC1=C[C@H](C)C[C@H](CN(C)Cc2cccnc2)C1 ZINC000428276327 201006224 /nfs/dbraw/zinc/00/62/24/201006224.db2.gz IUPYTYOQCTWEEW-BBRMVZONSA-N 0 3 244.382 3.506 20 0 BHADHN CC1=C[C@@H](C)C[C@H](CN(C)Cc2cccnc2)C1 ZINC000428276328 201005853 /nfs/dbraw/zinc/00/58/53/201005853.db2.gz IUPYTYOQCTWEEW-CJNGLKHVSA-N 0 3 244.382 3.506 20 0 BHADHN CC1=C[C@@H](C)C[C@@H](CN(C)Cc2cccnc2)C1 ZINC000428276329 201006532 /nfs/dbraw/zinc/00/65/32/201006532.db2.gz IUPYTYOQCTWEEW-CZUORRHYSA-N 0 3 244.382 3.506 20 0 BHADHN CC1=C[C@H](C)C[C@@H](CN(C)Cc2cccnc2)C1 ZINC000428276330 201005150 /nfs/dbraw/zinc/00/51/50/201005150.db2.gz IUPYTYOQCTWEEW-XJKSGUPXSA-N 0 3 244.382 3.506 20 0 BHADHN CCCc1nc(C)c(CN(C(C)C)C(C)C)o1 ZINC000428309748 201008124 /nfs/dbraw/zinc/00/81/24/201008124.db2.gz LXTORXSYAVPZFZ-UHFFFAOYSA-N 0 3 238.375 3.554 20 0 BHADHN Cc1nc(C(C)C)oc1CN(C(C)C)C(C)C ZINC000428314032 201007101 /nfs/dbraw/zinc/00/71/01/201007101.db2.gz YUKDOCVIKQPWRW-UHFFFAOYSA-N 0 3 238.375 3.725 20 0 BHADHN CC[C@@H](C)[C@@H](C)NCc1oc(C(C)C)nc1C ZINC000428316753 191083168 /nfs/dbraw/zinc/08/31/68/191083168.db2.gz AMKWFNPKLYBHRQ-GHMZBOCLSA-N 0 3 238.375 3.631 20 0 BHADHN CC[C@@H](C)[C@H](C)NCc1oc(C(C)C)nc1C ZINC000428316756 191083179 /nfs/dbraw/zinc/08/31/79/191083179.db2.gz AMKWFNPKLYBHRQ-MNOVXSKESA-N 0 3 238.375 3.631 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1oc(C(C)C)nc1C ZINC000428316759 191082990 /nfs/dbraw/zinc/08/29/90/191082990.db2.gz AMKWFNPKLYBHRQ-QWRGUYRKSA-N 0 3 238.375 3.631 20 0 BHADHN CC[C@H](C)[C@@H](C)NCc1oc(C(C)C)nc1C ZINC000428316760 191083155 /nfs/dbraw/zinc/08/31/55/191083155.db2.gz AMKWFNPKLYBHRQ-WDEREUQCSA-N 0 3 238.375 3.631 20 0 BHADHN CCc1nc(C)c(CNC(CC)(CC)CC)o1 ZINC000428375799 201011816 /nfs/dbraw/zinc/01/18/16/201011816.db2.gz UIDRCBJYNKEQMC-UHFFFAOYSA-N 0 3 238.375 3.604 20 0 BHADHN CCC(C)(C)N(C)Cc1oc(C(C)C)nc1C ZINC000428391665 386519838 /nfs/dbraw/zinc/51/98/38/386519838.db2.gz XNXVCEDPFYZBFD-UHFFFAOYSA-N 0 3 238.375 3.727 20 0 BHADHN CCCc1nc(C)c(CN(C)C(C)(C)CC)o1 ZINC000428398361 201012760 /nfs/dbraw/zinc/01/27/60/201012760.db2.gz HLGIRAPCSRJODL-UHFFFAOYSA-N 0 3 238.375 3.556 20 0 BHADHN Cc1nc(C(C)C)oc1CN(C)[C@H](C)C(C)C ZINC000428444786 201017423 /nfs/dbraw/zinc/01/74/23/201017423.db2.gz DBNRMHNPCFFNMY-GFCCVEGCSA-N 0 3 238.375 3.583 20 0 BHADHN Cc1nc(C(C)C)oc1CN(C)[C@@H](C)C(C)C ZINC000428444788 201015484 /nfs/dbraw/zinc/01/54/84/201015484.db2.gz DBNRMHNPCFFNMY-LBPRGKRZSA-N 0 3 238.375 3.583 20 0 BHADHN CCN(Cc1oc(C(C)C)nc1C)CC(C)C ZINC000428451908 201018115 /nfs/dbraw/zinc/01/81/15/201018115.db2.gz HDOQMWNOGMWPTD-UHFFFAOYSA-N 0 3 238.375 3.584 20 0 BHADHN CCCc1nc(C)c(CN(C)[C@H](C)CCC)o1 ZINC000428452263 191074595 /nfs/dbraw/zinc/07/45/95/191074595.db2.gz ANPKGANCYZCPNB-LLVKDONJSA-N 0 3 238.375 3.556 20 0 BHADHN CCCc1nc(C)c(CN(C)[C@@H](C)CCC)o1 ZINC000428452264 191075322 /nfs/dbraw/zinc/07/53/22/191075322.db2.gz ANPKGANCYZCPNB-NSHDSACASA-N 0 3 238.375 3.556 20 0 BHADHN CCC[C@@H](C)N(C)Cc1oc(C(C)C)nc1C ZINC000428452865 201020323 /nfs/dbraw/zinc/02/03/23/201020323.db2.gz DFUZSAXBNUYCAU-LLVKDONJSA-N 0 3 238.375 3.727 20 0 BHADHN CCC[C@H](C)N(C)Cc1oc(C(C)C)nc1C ZINC000428452866 201020896 /nfs/dbraw/zinc/02/08/96/201020896.db2.gz DFUZSAXBNUYCAU-NSHDSACASA-N 0 3 238.375 3.727 20 0 BHADHN CCCCN(CC)Cc1oc(CCC)nc1C ZINC000428454257 201020175 /nfs/dbraw/zinc/02/01/75/201020175.db2.gz CVXDACCISHEREP-UHFFFAOYSA-N 0 3 238.375 3.558 20 0 BHADHN CCN(C[C@H](OC(C)C)c1ccccc1)C1CC1 ZINC000428455786 201020406 /nfs/dbraw/zinc/02/04/06/201020406.db2.gz UCNWFQBYDQQAKU-INIZCTEOSA-N 0 3 247.382 3.637 20 0 BHADHN CCN(C[C@@H](OC(C)C)c1ccccc1)C1CC1 ZINC000428455789 201019015 /nfs/dbraw/zinc/01/90/15/201019015.db2.gz UCNWFQBYDQQAKU-MRXNPFEDSA-N 0 3 247.382 3.637 20 0 BHADHN CCCCN(CC)Cc1oc(C(C)C)nc1C ZINC000428457280 201019246 /nfs/dbraw/zinc/01/92/46/201019246.db2.gz JULBTNLVRAKVEG-UHFFFAOYSA-N 0 3 238.375 3.728 20 0 BHADHN CCCc1nc(C)c(CN(CCC)CCC)o1 ZINC000428457353 201019388 /nfs/dbraw/zinc/01/93/88/201019388.db2.gz AGJIOXSKFQGLLG-UHFFFAOYSA-N 0 3 238.375 3.558 20 0 BHADHN CCCN(CCC)Cc1oc(C(C)C)nc1C ZINC000428460509 201019281 /nfs/dbraw/zinc/01/92/81/201019281.db2.gz GYWUGSQPNICBCD-UHFFFAOYSA-N 0 3 238.375 3.728 20 0 BHADHN COc1ccccc1CN(C)CCCC(C)C ZINC000428468856 201021559 /nfs/dbraw/zinc/02/15/59/201021559.db2.gz QQIGZUOEFSFTSG-UHFFFAOYSA-N 0 3 235.371 3.563 20 0 BHADHN CCC(CC)CN(CC)[C@H](C)c1cnc(C)cn1 ZINC000428472790 201021192 /nfs/dbraw/zinc/02/11/92/201021192.db2.gz JTIIYPVUMYHESU-CYBMUJFWSA-N 0 3 249.402 3.604 20 0 BHADHN CCC(CC)CN(CC)[C@@H](C)c1cnc(C)cn1 ZINC000428472792 201022086 /nfs/dbraw/zinc/02/20/86/201022086.db2.gz JTIIYPVUMYHESU-ZDUSSCGKSA-N 0 3 249.402 3.604 20 0 BHADHN CC(C)C1(C)CCN(Cc2cccc(O)c2)CC1 ZINC000428477863 191079482 /nfs/dbraw/zinc/07/94/82/191079482.db2.gz FQAACPJXNJMZRU-UHFFFAOYSA-N 0 3 247.382 3.650 20 0 BHADHN CC(C)C1(C)CCN(Cc2ccco2)CC1 ZINC000428484284 201024248 /nfs/dbraw/zinc/02/42/48/201024248.db2.gz POJPKNXQTSKQSA-UHFFFAOYSA-N 0 3 221.344 3.538 20 0 BHADHN Cc1ccc(CN2CCC(C)(C(C)C)CC2)cn1 ZINC000428485373 201024104 /nfs/dbraw/zinc/02/41/04/201024104.db2.gz QFUYWQPDCPWKJY-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CCC1(CC)CCC(NCc2cocn2)CC1 ZINC000428563843 201028109 /nfs/dbraw/zinc/02/81/09/201028109.db2.gz VYKPDMRNXLPXQC-UHFFFAOYSA-N 0 3 236.359 3.513 20 0 BHADHN Cc1nc(C(C)C)oc1CN1CC(C)=C[C@@H](C)C1 ZINC000428940256 201050017 /nfs/dbraw/zinc/05/00/17/201050017.db2.gz PLLMOAUOEKWUDX-LLVKDONJSA-N 0 3 248.370 3.504 20 0 BHADHN Cc1nc(C(C)C)oc1CN1CC(C)=C[C@H](C)C1 ZINC000428940258 201050180 /nfs/dbraw/zinc/05/01/80/201050180.db2.gz PLLMOAUOEKWUDX-NSHDSACASA-N 0 3 248.370 3.504 20 0 BHADHN CCc1nc(C)c(CN(CC)C(CC)CC)o1 ZINC000428942011 201050447 /nfs/dbraw/zinc/05/04/47/201050447.db2.gz XXDLLPRCIYLVTB-UHFFFAOYSA-N 0 3 238.375 3.556 20 0 BHADHN CC(C)CCCN1CCc2sccc2C1 ZINC000428949058 201052396 /nfs/dbraw/zinc/05/23/96/201052396.db2.gz WPBNPFAMTABQMK-UHFFFAOYSA-N 0 3 223.385 3.542 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1oc(CC)nc1C ZINC000428971354 201054617 /nfs/dbraw/zinc/05/46/17/201054617.db2.gz CYNXBYOKXJKHCD-LLVKDONJSA-N 0 3 238.375 3.556 20 0 BHADHN CCCC[C@H](C)N(C)Cc1oc(CC)nc1C ZINC000428971355 201054816 /nfs/dbraw/zinc/05/48/16/201054816.db2.gz CYNXBYOKXJKHCD-NSHDSACASA-N 0 3 238.375 3.556 20 0 BHADHN CC(C)CCCN(C)[C@H](C)c1ccco1 ZINC000429047013 201063766 /nfs/dbraw/zinc/06/37/66/201063766.db2.gz NZHQBLQGCBFHLX-GFCCVEGCSA-N 0 3 209.333 3.709 20 0 BHADHN CC(C)CCCN(C)[C@@H](C)c1ccco1 ZINC000429047015 201064174 /nfs/dbraw/zinc/06/41/74/201064174.db2.gz NZHQBLQGCBFHLX-LBPRGKRZSA-N 0 3 209.333 3.709 20 0 BHADHN Cc1cc([C@H]2CCCN2CCCC(C)C)on1 ZINC000429057208 201064252 /nfs/dbraw/zinc/06/42/52/201064252.db2.gz YCGFICAVWVLOOT-CYBMUJFWSA-N 0 3 236.359 3.556 20 0 BHADHN Cc1cc([C@@H]2CCCN2CCCC(C)C)on1 ZINC000429057209 201063513 /nfs/dbraw/zinc/06/35/13/201063513.db2.gz YCGFICAVWVLOOT-ZDUSSCGKSA-N 0 3 236.359 3.556 20 0 BHADHN CC(C)CCCN(C)Cc1cc(Cl)cn1C ZINC000429059220 201063997 /nfs/dbraw/zinc/06/39/97/201063997.db2.gz KZKXIFNSGIMLOY-UHFFFAOYSA-N 0 3 242.794 3.547 20 0 BHADHN CCN1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429122922 201071656 /nfs/dbraw/zinc/07/16/56/201071656.db2.gz RTRPIMGXSRVVHP-GFCCVEGCSA-N 0 3 241.787 3.526 20 0 BHADHN CCN1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429122923 201070624 /nfs/dbraw/zinc/07/06/24/201070624.db2.gz RTRPIMGXSRVVHP-LBPRGKRZSA-N 0 3 241.787 3.526 20 0 BHADHN CC/C=C/CCN1Cc2ccccc2O[C@H](C)C1 ZINC000429126152 201071599 /nfs/dbraw/zinc/07/15/99/201071599.db2.gz HFXUDNXGIHSKDG-ISZGNANSSA-N 0 3 245.366 3.626 20 0 BHADHN CC/C=C/CCN1Cc2ccccc2O[C@@H](C)C1 ZINC000429126153 201070758 /nfs/dbraw/zinc/07/07/58/201070758.db2.gz HFXUDNXGIHSKDG-NNTXTVRGSA-N 0 3 245.366 3.626 20 0 BHADHN CC/C=C\CCN1Cc2ccccc2O[C@@H](C)C1 ZINC000429126154 201070907 /nfs/dbraw/zinc/07/09/07/201070907.db2.gz HFXUDNXGIHSKDG-WSNITJDQSA-N 0 3 245.366 3.626 20 0 BHADHN CC/C=C\CCN1Cc2ccccc2O[C@H](C)C1 ZINC000429126155 201072049 /nfs/dbraw/zinc/07/20/49/201072049.db2.gz HFXUDNXGIHSKDG-ZRUQZJFASA-N 0 3 245.366 3.626 20 0 BHADHN CC(C)(NCCC(F)(F)F)c1ccccc1F ZINC000429236851 201084116 /nfs/dbraw/zinc/08/41/16/201084116.db2.gz MTGZTAHTMNBEEM-UHFFFAOYSA-N 0 3 249.251 3.603 20 0 BHADHN CC(C)(N[C@@H]1C=CCCC1)c1ccccc1F ZINC000429266419 201084725 /nfs/dbraw/zinc/08/47/25/201084725.db2.gz UHDUAOMUHVLBIC-GFCCVEGCSA-N 0 3 233.330 3.759 20 0 BHADHN CC(C)(N[C@H]1C=CCCC1)c1ccccc1F ZINC000429266420 201086253 /nfs/dbraw/zinc/08/62/53/201086253.db2.gz UHDUAOMUHVLBIC-LBPRGKRZSA-N 0 3 233.330 3.759 20 0 BHADHN CC[C@@H]1CCN1Cc1ccc(C(F)(F)F)cc1 ZINC000429272519 201088049 /nfs/dbraw/zinc/08/80/49/201088049.db2.gz KEMTWEMWCUZOOE-GFCCVEGCSA-N 0 3 243.272 3.690 20 0 BHADHN CC[C@H]1CCN1Cc1ccc(C(F)(F)F)cc1 ZINC000429272520 201089491 /nfs/dbraw/zinc/08/94/91/201089491.db2.gz KEMTWEMWCUZOOE-LBPRGKRZSA-N 0 3 243.272 3.690 20 0 BHADHN CC[C@@H]1CCN1Cc1ccc(C(F)F)cc1 ZINC000429281790 201093087 /nfs/dbraw/zinc/09/30/87/201093087.db2.gz XMWASJZPIMQQRX-GFCCVEGCSA-N 0 3 225.282 3.609 20 0 BHADHN CC[C@H]1CCN1Cc1ccc(C(F)F)cc1 ZINC000429281791 201091143 /nfs/dbraw/zinc/09/11/43/201091143.db2.gz XMWASJZPIMQQRX-LBPRGKRZSA-N 0 3 225.282 3.609 20 0 BHADHN CC[C@@H]1CCN1Cc1csc2ccccc12 ZINC000429282351 201087853 /nfs/dbraw/zinc/08/78/53/201087853.db2.gz DVPDFDGOLVGXSB-GFCCVEGCSA-N 0 3 231.364 3.886 20 0 BHADHN CC[C@H]1CCN1Cc1csc2ccccc12 ZINC000429282355 201089875 /nfs/dbraw/zinc/08/98/75/201089875.db2.gz DVPDFDGOLVGXSB-LBPRGKRZSA-N 0 3 231.364 3.886 20 0 BHADHN CC[C@H]1CCN1Cc1ccccc1OCC(C)C ZINC000429283488 192027251 /nfs/dbraw/zinc/02/72/51/192027251.db2.gz JIZMGPGMVJSCTF-HNNXBMFYSA-N 0 3 247.382 3.706 20 0 BHADHN CC[C@@H]1CCN1Cc1ccccc1OCC(C)C ZINC000429283492 192027283 /nfs/dbraw/zinc/02/72/83/192027283.db2.gz JIZMGPGMVJSCTF-OAHLLOKOSA-N 0 3 247.382 3.706 20 0 BHADHN CC[C@H]1CCN1C/C=C\c1ccc(Cl)cc1 ZINC000429285134 201093692 /nfs/dbraw/zinc/09/36/92/201093692.db2.gz NNUDTBWSGTXXKW-NQHOJNORSA-N 0 3 235.758 3.838 20 0 BHADHN CC[C@@H]1CCN1C/C=C/c1ccc(Cl)cc1 ZINC000429285136 201092511 /nfs/dbraw/zinc/09/25/11/201092511.db2.gz NNUDTBWSGTXXKW-RDFMZFSFSA-N 0 3 235.758 3.838 20 0 BHADHN CC[C@@H]1CCN1C/C=C\c1ccc(Cl)cc1 ZINC000429285138 201091978 /nfs/dbraw/zinc/09/19/78/201091978.db2.gz NNUDTBWSGTXXKW-VQTKUKTRSA-N 0 3 235.758 3.838 20 0 BHADHN CC[C@H]1CCN1C/C=C/c1ccc(Cl)cc1 ZINC000429285141 201092817 /nfs/dbraw/zinc/09/28/17/201092817.db2.gz NNUDTBWSGTXXKW-XGACYXMMSA-N 0 3 235.758 3.838 20 0 BHADHN CC[C@@H]1CCN1Cc1cc2ccccc2s1 ZINC000429285941 201093311 /nfs/dbraw/zinc/09/33/11/201093311.db2.gz PWHWFRZHEZMBEW-GFCCVEGCSA-N 0 3 231.364 3.886 20 0 BHADHN CC[C@H]1CCN1Cc1cc2ccccc2s1 ZINC000429285942 201092875 /nfs/dbraw/zinc/09/28/75/201092875.db2.gz PWHWFRZHEZMBEW-LBPRGKRZSA-N 0 3 231.364 3.886 20 0 BHADHN CC[C@H]1CCN1[C@@H]1CCc2ccc(Cl)cc21 ZINC000429289034 201096800 /nfs/dbraw/zinc/09/68/00/201096800.db2.gz BQIHKUHDLQNFMN-GXTWGEPZSA-N 0 3 235.758 3.812 20 0 BHADHN CC[C@H]1CCN1[C@H]1CCc2ccc(Cl)cc21 ZINC000429289036 201095432 /nfs/dbraw/zinc/09/54/32/201095432.db2.gz BQIHKUHDLQNFMN-JSGCOSHPSA-N 0 3 235.758 3.812 20 0 BHADHN CC[C@@H]1CCN1[C@H]1CCc2ccc(Cl)cc21 ZINC000429289038 201096652 /nfs/dbraw/zinc/09/66/52/201096652.db2.gz BQIHKUHDLQNFMN-OCCSQVGLSA-N 0 3 235.758 3.812 20 0 BHADHN CC[C@@H]1CCN1[C@@H]1CCc2ccc(Cl)cc21 ZINC000429289040 192027342 /nfs/dbraw/zinc/02/73/42/192027342.db2.gz BQIHKUHDLQNFMN-TZMCWYRMSA-N 0 3 235.758 3.812 20 0 BHADHN CC[C@@H]1CCN1Cc1ccc(Cl)cc1C ZINC000429295760 201095050 /nfs/dbraw/zinc/09/50/50/201095050.db2.gz QKARBBYYGQIEBQ-CYBMUJFWSA-N 0 3 223.747 3.633 20 0 BHADHN CC[C@H]1CCN1Cc1ccc(Cl)cc1C ZINC000429295762 201095792 /nfs/dbraw/zinc/09/57/92/201095792.db2.gz QKARBBYYGQIEBQ-ZDUSSCGKSA-N 0 3 223.747 3.633 20 0 BHADHN CC[C@@H]1CCN1C[C@@H](C)c1cccc(Cl)c1 ZINC000429297753 192030263 /nfs/dbraw/zinc/03/02/63/192030263.db2.gz UMWKFURUSMOLNG-BXUZGUMPSA-N 0 3 237.774 3.928 20 0 BHADHN CC[C@H]1CCN1C[C@H](C)c1cccc(Cl)c1 ZINC000429297759 192030281 /nfs/dbraw/zinc/03/02/81/192030281.db2.gz UMWKFURUSMOLNG-FZMZJTMJSA-N 0 3 237.774 3.928 20 0 BHADHN CC[C@H]1CCN1C[C@@H](C)c1cccc(Cl)c1 ZINC000429297761 192030172 /nfs/dbraw/zinc/03/01/72/192030172.db2.gz UMWKFURUSMOLNG-RISCZKNCSA-N 0 3 237.774 3.928 20 0 BHADHN CC[C@@H]1CCN1C[C@H](C)c1cccc(Cl)c1 ZINC000429297765 192030150 /nfs/dbraw/zinc/03/01/50/192030150.db2.gz UMWKFURUSMOLNG-SMDDNHRTSA-N 0 3 237.774 3.928 20 0 BHADHN CC[C@@H]1CCN1C[C@H](OC(C)C)c1ccccc1 ZINC000429314274 201099436 /nfs/dbraw/zinc/09/94/36/201099436.db2.gz YSPWINMOWBEYAV-CVEARBPZSA-N 0 3 247.382 3.637 20 0 BHADHN CC[C@H]1CCN1C[C@H](OC(C)C)c1ccccc1 ZINC000429314277 201099464 /nfs/dbraw/zinc/09/94/64/201099464.db2.gz YSPWINMOWBEYAV-HOTGVXAUSA-N 0 3 247.382 3.637 20 0 BHADHN CC[C@@H]1CCN1C[C@@H](OC(C)C)c1ccccc1 ZINC000429314278 201097520 /nfs/dbraw/zinc/09/75/20/201097520.db2.gz YSPWINMOWBEYAV-HZPDHXFCSA-N 0 3 247.382 3.637 20 0 BHADHN CC[C@H]1CCN1C[C@@H](OC(C)C)c1ccccc1 ZINC000429314280 201099628 /nfs/dbraw/zinc/09/96/28/201099628.db2.gz YSPWINMOWBEYAV-JKSUJKDBSA-N 0 3 247.382 3.637 20 0 BHADHN CC(C)CCCN1CC=C(C(F)(F)F)CC1 ZINC000429329024 201101232 /nfs/dbraw/zinc/10/12/32/201101232.db2.gz PZAWEDMJUAZXAZ-UHFFFAOYSA-N 0 3 235.293 3.617 20 0 BHADHN Cc1ccoc1CN(C)Cc1c(C)cccc1C ZINC000429359885 201104904 /nfs/dbraw/zinc/10/49/04/201104904.db2.gz FFDZTDMHMALEGC-UHFFFAOYSA-N 0 3 243.350 3.837 20 0 BHADHN Cc1ccoc1CN(C)CCCc1ccsc1 ZINC000429360622 192085011 /nfs/dbraw/zinc/08/50/11/192085011.db2.gz HQLBDWHCEHKFNP-UHFFFAOYSA-N 0 3 249.379 3.714 20 0 BHADHN Cc1ccoc1CN(C)CCC1CCCC1 ZINC000429398469 201105927 /nfs/dbraw/zinc/10/59/27/201105927.db2.gz AMYOHTZXHCFYTJ-UHFFFAOYSA-N 0 3 221.344 3.600 20 0 BHADHN Cc1ccoc1CN(C)CCc1ccc(C)cc1 ZINC000429398528 201106569 /nfs/dbraw/zinc/10/65/69/201106569.db2.gz LKLMEIBSSJIBDD-UHFFFAOYSA-N 0 3 243.350 3.571 20 0 BHADHN CCc1ccc([C@@H](C)N[C@@H]2CC23CCCC3)o1 ZINC000429421825 201108103 /nfs/dbraw/zinc/10/81/03/201108103.db2.gz GGGKEWWNSKJDGN-BXUZGUMPSA-N 0 3 233.355 3.825 20 0 BHADHN CCc1ccc([C@H](C)N[C@H]2CC23CCCC3)o1 ZINC000429421826 201108983 /nfs/dbraw/zinc/10/89/83/201108983.db2.gz GGGKEWWNSKJDGN-FZMZJTMJSA-N 0 3 233.355 3.825 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H]2CC23CCCC3)o1 ZINC000429421827 201108323 /nfs/dbraw/zinc/10/83/23/201108323.db2.gz GGGKEWWNSKJDGN-RISCZKNCSA-N 0 3 233.355 3.825 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H]2CC23CCCC3)o1 ZINC000429421828 201108305 /nfs/dbraw/zinc/10/83/05/201108305.db2.gz GGGKEWWNSKJDGN-SMDDNHRTSA-N 0 3 233.355 3.825 20 0 BHADHN CCC[C@@H](N[C@H]1CC12CCCC2)c1ccccn1 ZINC000429425635 201109023 /nfs/dbraw/zinc/10/90/23/201109023.db2.gz MIEWKEKTESATLY-CABCVRRESA-N 0 3 244.382 3.845 20 0 BHADHN CCC[C@H](N[C@H]1CC12CCCC2)c1ccccn1 ZINC000429425639 201109355 /nfs/dbraw/zinc/10/93/55/201109355.db2.gz MIEWKEKTESATLY-GJZGRUSLSA-N 0 3 244.382 3.845 20 0 BHADHN CCC[C@@H](N[C@@H]1CC12CCCC2)c1ccccn1 ZINC000429425643 201109266 /nfs/dbraw/zinc/10/92/66/201109266.db2.gz MIEWKEKTESATLY-HUUCEWRRSA-N 0 3 244.382 3.845 20 0 BHADHN CCC[C@H](N[C@@H]1CC12CCCC2)c1ccccn1 ZINC000429425645 201108923 /nfs/dbraw/zinc/10/89/23/201108923.db2.gz MIEWKEKTESATLY-LSDHHAIUSA-N 0 3 244.382 3.845 20 0 BHADHN CCc1cccnc1[C@H](C)N[C@@H]1CC12CCCC2 ZINC000429454780 201109228 /nfs/dbraw/zinc/10/92/28/201109228.db2.gz PIULDFIEGVMFHF-GXTWGEPZSA-N 0 3 244.382 3.627 20 0 BHADHN CCc1cccnc1[C@H](C)N[C@H]1CC12CCCC2 ZINC000429454781 201108147 /nfs/dbraw/zinc/10/81/47/201108147.db2.gz PIULDFIEGVMFHF-JSGCOSHPSA-N 0 3 244.382 3.627 20 0 BHADHN CCc1cccnc1[C@@H](C)N[C@H]1CC12CCCC2 ZINC000429454782 201109301 /nfs/dbraw/zinc/10/93/01/201109301.db2.gz PIULDFIEGVMFHF-OCCSQVGLSA-N 0 3 244.382 3.627 20 0 BHADHN CCc1cccnc1[C@@H](C)N[C@@H]1CC12CCCC2 ZINC000429454783 201108347 /nfs/dbraw/zinc/10/83/47/201108347.db2.gz PIULDFIEGVMFHF-TZMCWYRMSA-N 0 3 244.382 3.627 20 0 BHADHN Cc1ccc(C)c([C@@H](C)NC2CC(F)(F)C2)c1 ZINC000429460087 201111227 /nfs/dbraw/zinc/11/12/27/201111227.db2.gz ZSDNNWOOADOABR-LLVKDONJSA-N 0 3 239.309 3.752 20 0 BHADHN Cc1ccc(C)c([C@H](C)NC2CC(F)(F)C2)c1 ZINC000429460088 201109526 /nfs/dbraw/zinc/10/95/26/201109526.db2.gz ZSDNNWOOADOABR-NSHDSACASA-N 0 3 239.309 3.752 20 0 BHADHN FC1(F)CC(N[C@H](c2ccccc2)C2CC2)C1 ZINC000429463198 201111031 /nfs/dbraw/zinc/11/10/31/201111031.db2.gz SVVGPJXAATXHLQ-CYBMUJFWSA-N 0 3 237.293 3.525 20 0 BHADHN FC1(F)CC(N[C@@H](c2ccccc2)C2CC2)C1 ZINC000429463206 201110252 /nfs/dbraw/zinc/11/02/52/201110252.db2.gz SVVGPJXAATXHLQ-ZDUSSCGKSA-N 0 3 237.293 3.525 20 0 BHADHN C[C@H]1CC[C@@H](N(C)Cc2cccc(F)c2F)C1 ZINC000429563080 201115742 /nfs/dbraw/zinc/11/57/42/201115742.db2.gz BDQZHRMIIWDMTC-CMPLNLGQSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CC[C@H](N(C)Cc2cccc(F)c2F)C1 ZINC000429563084 201116406 /nfs/dbraw/zinc/11/64/06/201116406.db2.gz BDQZHRMIIWDMTC-JQWIXIFHSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@H](N(C)Cc2cccc(F)c2F)C1 ZINC000429563086 201113678 /nfs/dbraw/zinc/11/36/78/201113678.db2.gz BDQZHRMIIWDMTC-PWSUYJOCSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@@H](N(C)Cc2cccc(F)c2F)C1 ZINC000429563088 201114235 /nfs/dbraw/zinc/11/42/35/201114235.db2.gz BDQZHRMIIWDMTC-ZYHUDNBSSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CC[C@H](N(C)Cc2cc(F)ccc2F)C1 ZINC000429565714 201116076 /nfs/dbraw/zinc/11/60/76/201116076.db2.gz SRDYTTQXZYLVER-GWCFXTLKSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CC[C@@H](N(C)Cc2cc(F)ccc2F)C1 ZINC000429565715 201113893 /nfs/dbraw/zinc/11/38/93/201113893.db2.gz SRDYTTQXZYLVER-GXFFZTMASA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@H](N(C)Cc2cc(F)ccc2F)C1 ZINC000429565716 201114951 /nfs/dbraw/zinc/11/49/51/201114951.db2.gz SRDYTTQXZYLVER-MFKMUULPSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CC[C@@H](N(C)Cc2cc(F)ccc2F)C1 ZINC000429565717 201116615 /nfs/dbraw/zinc/11/66/15/201116615.db2.gz SRDYTTQXZYLVER-ZWNOBZJWSA-N 0 3 239.309 3.585 20 0 BHADHN Cc1cccc2c1CN(Cc1cccs1)CC2 ZINC000429571002 192369193 /nfs/dbraw/zinc/36/91/93/192369193.db2.gz XTVNJGUZCCCQIC-UHFFFAOYSA-N 0 3 243.375 3.615 20 0 BHADHN c1cc([C@@H]2CCCN2CC2CCCCCC2)n[nH]1 ZINC000429705708 201130465 /nfs/dbraw/zinc/13/04/65/201130465.db2.gz DMBOXQLLCIIMND-HNNXBMFYSA-N 0 3 247.386 3.517 20 0 BHADHN c1cc([C@H]2CCCN2CC2CCCCCC2)n[nH]1 ZINC000429705710 201129766 /nfs/dbraw/zinc/12/97/66/201129766.db2.gz DMBOXQLLCIIMND-OAHLLOKOSA-N 0 3 247.386 3.517 20 0 BHADHN c1cc([C@@H]2CCCN2CCCC2CCCC2)n[nH]1 ZINC000429714474 201128803 /nfs/dbraw/zinc/12/88/03/201128803.db2.gz GOKMRPAPVKLFQM-HNNXBMFYSA-N 0 3 247.386 3.517 20 0 BHADHN c1cc([C@H]2CCCN2CCCC2CCCC2)n[nH]1 ZINC000429714476 201129645 /nfs/dbraw/zinc/12/96/45/201129645.db2.gz GOKMRPAPVKLFQM-OAHLLOKOSA-N 0 3 247.386 3.517 20 0 BHADHN Clc1cccc2c1CC[C@@H]2N1CCCCC1 ZINC000429875405 201134915 /nfs/dbraw/zinc/13/49/15/201134915.db2.gz ATXNFRHANKFAKG-AWEZNQCLSA-N 0 3 235.758 3.813 20 0 BHADHN Clc1cccc2c1CC[C@H]2N1CCCCC1 ZINC000429875409 201135438 /nfs/dbraw/zinc/13/54/38/201135438.db2.gz ATXNFRHANKFAKG-CQSZACIVSA-N 0 3 235.758 3.813 20 0 BHADHN CC(C)CCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430086912 201143133 /nfs/dbraw/zinc/14/31/33/201143133.db2.gz CMIOELHWGSRQIF-HNNXBMFYSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)CCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000430086914 201141781 /nfs/dbraw/zinc/14/17/81/201141781.db2.gz CMIOELHWGSRQIF-OAHLLOKOSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)[C@H]1N(Cc2cccs2)CC12CCC2 ZINC000430089924 201143334 /nfs/dbraw/zinc/14/33/34/201143334.db2.gz ZYWLBUJWHJRJJR-CYBMUJFWSA-N 0 3 235.396 3.759 20 0 BHADHN CC(C)[C@@H]1N(Cc2cccs2)CC12CCC2 ZINC000430089927 201143625 /nfs/dbraw/zinc/14/36/25/201143625.db2.gz ZYWLBUJWHJRJJR-ZDUSSCGKSA-N 0 3 235.396 3.759 20 0 BHADHN CCC(CC)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430090242 201141712 /nfs/dbraw/zinc/14/17/12/201141712.db2.gz PVAJFHFYZZDQKP-HNNXBMFYSA-N 0 3 246.398 3.901 20 0 BHADHN CCC(CC)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000430090243 201143324 /nfs/dbraw/zinc/14/33/24/201143324.db2.gz PVAJFHFYZZDQKP-OAHLLOKOSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)[C@H]1N(Cc2ccsc2)CC12CCC2 ZINC000430094055 201142826 /nfs/dbraw/zinc/14/28/26/201142826.db2.gz IDLPEAZWZHMLTI-CYBMUJFWSA-N 0 3 235.396 3.759 20 0 BHADHN CC(C)[C@@H]1N(Cc2ccsc2)CC12CCC2 ZINC000430094056 201142668 /nfs/dbraw/zinc/14/26/68/201142668.db2.gz IDLPEAZWZHMLTI-ZDUSSCGKSA-N 0 3 235.396 3.759 20 0 BHADHN Cc1ccc(CN2CC3(CCC3)[C@@H]2C(C)C)o1 ZINC000430095071 201143355 /nfs/dbraw/zinc/14/33/55/201143355.db2.gz AIHCZKHSKLFHSD-AWEZNQCLSA-N 0 3 233.355 3.599 20 0 BHADHN Cc1ccc(CN2CC3(CCC3)[C@H]2C(C)C)o1 ZINC000430095072 201141817 /nfs/dbraw/zinc/14/18/17/201141817.db2.gz AIHCZKHSKLFHSD-CQSZACIVSA-N 0 3 233.355 3.599 20 0 BHADHN CCC[C@H](C)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000430102605 201144085 /nfs/dbraw/zinc/14/40/85/201144085.db2.gz RADRCEYVJODPQA-DZGCQCFKSA-N 0 3 246.398 3.901 20 0 BHADHN CCC[C@@H](C)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430102608 201145755 /nfs/dbraw/zinc/14/57/55/201145755.db2.gz RADRCEYVJODPQA-HIFRSBDPSA-N 0 3 246.398 3.901 20 0 BHADHN CCC[C@@H](C)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000430102612 201144646 /nfs/dbraw/zinc/14/46/46/201144646.db2.gz RADRCEYVJODPQA-UKRRQHHQSA-N 0 3 246.398 3.901 20 0 BHADHN CCC[C@H](C)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430102615 201144878 /nfs/dbraw/zinc/14/48/78/201144878.db2.gz RADRCEYVJODPQA-ZFWWWQNUSA-N 0 3 246.398 3.901 20 0 BHADHN CC1(C)CN(CC2(C)CCC2)[C@H]1c1cccnc1 ZINC000430102987 191325646 /nfs/dbraw/zinc/32/56/46/191325646.db2.gz KVQJCEWOGGMFDG-AWEZNQCLSA-N 0 3 244.382 3.655 20 0 BHADHN CC1(C)CN(CC2(C)CCC2)[C@@H]1c1cccnc1 ZINC000430102988 191325718 /nfs/dbraw/zinc/32/57/18/191325718.db2.gz KVQJCEWOGGMFDG-CQSZACIVSA-N 0 3 244.382 3.655 20 0 BHADHN CC(C)(C)CCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430109441 201144372 /nfs/dbraw/zinc/14/43/72/201144372.db2.gz ZYXPDZBHWGEAKU-AWEZNQCLSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)(C)CCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000430109442 201145701 /nfs/dbraw/zinc/14/57/01/201145701.db2.gz ZYXPDZBHWGEAKU-CQSZACIVSA-N 0 3 246.398 3.901 20 0 BHADHN Cc1ccoc1CN1CC2(CCC2)[C@@H]1C(C)C ZINC000430109884 201144118 /nfs/dbraw/zinc/14/41/18/201144118.db2.gz WFNLBOCFHWMNSQ-AWEZNQCLSA-N 0 3 233.355 3.599 20 0 BHADHN Cc1ccoc1CN1CC2(CCC2)[C@H]1C(C)C ZINC000430109885 201143825 /nfs/dbraw/zinc/14/38/25/201143825.db2.gz WFNLBOCFHWMNSQ-CQSZACIVSA-N 0 3 233.355 3.599 20 0 BHADHN CCc1ccc(CN(C2CCC2)C2CCC2)o1 ZINC000430119551 201147080 /nfs/dbraw/zinc/14/70/80/201147080.db2.gz FSCSAZJFOZPCIS-UHFFFAOYSA-N 0 3 233.355 3.749 20 0 BHADHN Clc1ccc(CN(C2CCC2)C2CCC2)o1 ZINC000430143191 201147680 /nfs/dbraw/zinc/14/76/80/201147680.db2.gz BKWLMJCQRRNXHY-UHFFFAOYSA-N 0 3 239.746 3.840 20 0 BHADHN CC[C@H]1CCN1Cc1cc(C)c2ncccc2c1 ZINC000430191118 201151451 /nfs/dbraw/zinc/15/14/51/201151451.db2.gz FIBXTOCGFZAQAJ-HNNXBMFYSA-N 0 3 240.350 3.528 20 0 BHADHN CC[C@@H]1CCN1Cc1cc(C)c2ncccc2c1 ZINC000430191120 201152468 /nfs/dbraw/zinc/15/24/68/201152468.db2.gz FIBXTOCGFZAQAJ-OAHLLOKOSA-N 0 3 240.350 3.528 20 0 BHADHN CC[C@H]1CCN1Cc1ccc(OCC(C)C)cc1 ZINC000430191788 201151705 /nfs/dbraw/zinc/15/17/05/201151705.db2.gz HSNYERLVGLLKMG-HNNXBMFYSA-N 0 3 247.382 3.706 20 0 BHADHN CC[C@@H]1CCN1Cc1ccc(OCC(C)C)cc1 ZINC000430191789 201152258 /nfs/dbraw/zinc/15/22/58/201152258.db2.gz HSNYERLVGLLKMG-OAHLLOKOSA-N 0 3 247.382 3.706 20 0 BHADHN CC[C@H]1CCN1Cc1cccc(OCC(C)C)c1 ZINC000430192697 201151591 /nfs/dbraw/zinc/15/15/91/201151591.db2.gz CXWXIXTULINAIQ-HNNXBMFYSA-N 0 3 247.382 3.706 20 0 BHADHN CC[C@@H]1CCN1Cc1cccc(OCC(C)C)c1 ZINC000430192699 201150712 /nfs/dbraw/zinc/15/07/12/201150712.db2.gz CXWXIXTULINAIQ-OAHLLOKOSA-N 0 3 247.382 3.706 20 0 BHADHN CC[C@H]1CCN1Cc1ccc(-c2ccccc2)o1 ZINC000430195325 201152577 /nfs/dbraw/zinc/15/25/77/201152577.db2.gz ZNINWEKDIWBKCO-AWEZNQCLSA-N 0 3 241.334 3.931 20 0 BHADHN CC[C@@H]1CCN1Cc1ccc(-c2ccccc2)o1 ZINC000430195326 201152967 /nfs/dbraw/zinc/15/29/67/201152967.db2.gz ZNINWEKDIWBKCO-CQSZACIVSA-N 0 3 241.334 3.931 20 0 BHADHN CC[C@@H]1CCN1CCc1ccc(F)cc1Cl ZINC000430197090 201152084 /nfs/dbraw/zinc/15/20/84/201152084.db2.gz UJFHMEZMQYKTMI-GFCCVEGCSA-N 0 3 241.737 3.506 20 0 BHADHN CC[C@H]1CCN1CCc1ccc(F)cc1Cl ZINC000430197093 201150455 /nfs/dbraw/zinc/15/04/55/201150455.db2.gz UJFHMEZMQYKTMI-LBPRGKRZSA-N 0 3 241.737 3.506 20 0 BHADHN CCSc1cccc(CN2CC[C@H]2CC)c1 ZINC000430197638 201151326 /nfs/dbraw/zinc/15/13/26/201151326.db2.gz VUKHTFQCTZJYGT-CYBMUJFWSA-N 0 3 235.396 3.783 20 0 BHADHN CCSc1cccc(CN2CC[C@@H]2CC)c1 ZINC000430197640 201152143 /nfs/dbraw/zinc/15/21/43/201152143.db2.gz VUKHTFQCTZJYGT-ZDUSSCGKSA-N 0 3 235.396 3.783 20 0 BHADHN CC[C@H]1CCN1Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000430198479 201152313 /nfs/dbraw/zinc/15/23/13/201152313.db2.gz YRBFDMHPDOSRKT-AWEZNQCLSA-N 0 3 242.366 3.769 20 0 BHADHN CC[C@@H]1CCN1Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000430198480 201152653 /nfs/dbraw/zinc/15/26/53/201152653.db2.gz YRBFDMHPDOSRKT-CQSZACIVSA-N 0 3 242.366 3.769 20 0 BHADHN CC[C@@H]1CCN1Cc1cc2cc(F)ccc2o1 ZINC000430198511 201151980 /nfs/dbraw/zinc/15/19/80/201151980.db2.gz RNNOWVJTHXEBJO-GFCCVEGCSA-N 0 3 233.286 3.556 20 0 BHADHN CC[C@H]1CCN1Cc1cc2cc(F)ccc2o1 ZINC000430198512 201151404 /nfs/dbraw/zinc/15/14/04/201151404.db2.gz RNNOWVJTHXEBJO-LBPRGKRZSA-N 0 3 233.286 3.556 20 0 BHADHN CC[C@@H]1CCN1C/C(C)=C\c1ccccc1 ZINC000430198671 201151851 /nfs/dbraw/zinc/15/18/51/201151851.db2.gz ZNUMJRXFLZDQBO-BMOGTNHUSA-N 0 3 215.340 3.574 20 0 BHADHN CC[C@H]1CCN1C/C(C)=C/c1ccccc1 ZINC000430198673 201151255 /nfs/dbraw/zinc/15/12/55/201151255.db2.gz ZNUMJRXFLZDQBO-FQNOHDAGSA-N 0 3 215.340 3.574 20 0 BHADHN CC[C@@H]1CCN1C/C(C)=C/c1ccccc1 ZINC000430198674 201150365 /nfs/dbraw/zinc/15/03/65/201150365.db2.gz ZNUMJRXFLZDQBO-HFBDAHEESA-N 0 3 215.340 3.574 20 0 BHADHN CC[C@H]1CCN1C/C(C)=C\c1ccccc1 ZINC000430198676 201151639 /nfs/dbraw/zinc/15/16/39/201151639.db2.gz ZNUMJRXFLZDQBO-HVCHUGMYSA-N 0 3 215.340 3.574 20 0 BHADHN CC[C@@H]1CCN1Cc1ccc2nc(C)sc2c1 ZINC000430199992 201153270 /nfs/dbraw/zinc/15/32/70/201153270.db2.gz VTDGINAZNAXQEM-GFCCVEGCSA-N 0 3 246.379 3.589 20 0 BHADHN CC[C@H]1CCN1Cc1ccc2nc(C)sc2c1 ZINC000430199995 201155003 /nfs/dbraw/zinc/15/50/03/201155003.db2.gz VTDGINAZNAXQEM-LBPRGKRZSA-N 0 3 246.379 3.589 20 0 BHADHN CC[C@H]1CCN1Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000430204604 201154521 /nfs/dbraw/zinc/15/45/21/201154521.db2.gz LMCHKEDKTJQSBD-AWEZNQCLSA-N 0 3 242.366 3.769 20 0 BHADHN CC[C@@H]1CCN1Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000430204606 201153115 /nfs/dbraw/zinc/15/31/15/201153115.db2.gz LMCHKEDKTJQSBD-CQSZACIVSA-N 0 3 242.366 3.769 20 0 BHADHN CC[C@H]1CCN1Cc1cccn1CCC(C)C ZINC000430209300 201153548 /nfs/dbraw/zinc/15/35/48/201153548.db2.gz WGCOIYUMIONGGM-AWEZNQCLSA-N 0 3 234.387 3.519 20 0 BHADHN CC[C@@H]1CCN1Cc1cccn1CCC(C)C ZINC000430209302 201153263 /nfs/dbraw/zinc/15/32/63/201153263.db2.gz WGCOIYUMIONGGM-CQSZACIVSA-N 0 3 234.387 3.519 20 0 BHADHN Cc1ccoc1CNC[C@H](C)Cc1ccccc1 ZINC000430217677 201155011 /nfs/dbraw/zinc/15/50/11/201155011.db2.gz KBYBGHZEBOXJRE-CYBMUJFWSA-N 0 3 243.350 3.556 20 0 BHADHN Cc1ccoc1CNC[C@@H](C)Cc1ccccc1 ZINC000430217679 201154554 /nfs/dbraw/zinc/15/45/54/201154554.db2.gz KBYBGHZEBOXJRE-ZDUSSCGKSA-N 0 3 243.350 3.556 20 0 BHADHN c1cc2c(cc1CN1CCC13CCC3)CCCC2 ZINC000430233659 201156974 /nfs/dbraw/zinc/15/69/74/201156974.db2.gz QXIZIQHZUNYUQW-UHFFFAOYSA-N 0 3 241.378 3.694 20 0 BHADHN Cc1ccc(N[C@@H]2C[C@@H](C)[C@@H]2C)c(CN(C)C)c1 ZINC000430242439 201157004 /nfs/dbraw/zinc/15/70/04/201157004.db2.gz XSEVFIDZCQTNIF-DVOMOZLQSA-N 0 3 246.398 3.513 20 0 BHADHN Cc1ccc(N[C@@H]2C[C@H](C)[C@@H]2C)c(CN(C)C)c1 ZINC000430242440 201155610 /nfs/dbraw/zinc/15/56/10/201155610.db2.gz XSEVFIDZCQTNIF-HEHGZKQESA-N 0 3 246.398 3.513 20 0 BHADHN Cc1ccc(N[C@@H]2C[C@H](C)[C@H]2C)c(CN(C)C)c1 ZINC000430242441 201156620 /nfs/dbraw/zinc/15/66/20/201156620.db2.gz XSEVFIDZCQTNIF-WOSRLPQWSA-N 0 3 246.398 3.513 20 0 BHADHN Cc1ccc(N[C@@H]2C[C@@H](C)[C@H]2C)c(CN(C)C)c1 ZINC000430242442 201157114 /nfs/dbraw/zinc/15/71/14/201157114.db2.gz XSEVFIDZCQTNIF-XJKCOSOUSA-N 0 3 246.398 3.513 20 0 BHADHN CC1=C[C@@H](C)CN(Cc2cc3ccccc3o2)C1 ZINC000430265271 387603139 /nfs/dbraw/zinc/60/31/39/387603139.db2.gz DOXFSPWNLOKLGY-GFCCVEGCSA-N 0 3 241.334 3.831 20 0 BHADHN CC1=C[C@H](C)CN(Cc2cc3ccccc3o2)C1 ZINC000430265272 387602208 /nfs/dbraw/zinc/60/22/08/387602208.db2.gz DOXFSPWNLOKLGY-LBPRGKRZSA-N 0 3 241.334 3.831 20 0 BHADHN CC1=C[C@H](C)CN([C@@H](C)c2ccccc2F)C1 ZINC000430266221 387602949 /nfs/dbraw/zinc/60/29/49/387602949.db2.gz BYQGLNVWWVWAJT-AAEUAGOBSA-N 0 3 233.330 3.785 20 0 BHADHN CC1=C[C@@H](C)CN([C@H](C)c2ccccc2F)C1 ZINC000430266222 387602965 /nfs/dbraw/zinc/60/29/65/387602965.db2.gz BYQGLNVWWVWAJT-DGCLKSJQSA-N 0 3 233.330 3.785 20 0 BHADHN CC1=C[C@H](C)CN([C@H](C)c2ccccc2F)C1 ZINC000430266223 387603789 /nfs/dbraw/zinc/60/37/89/387603789.db2.gz BYQGLNVWWVWAJT-WCQYABFASA-N 0 3 233.330 3.785 20 0 BHADHN CC1=C[C@@H](C)CN([C@@H](C)c2ccccc2F)C1 ZINC000430266224 387602980 /nfs/dbraw/zinc/60/29/80/387602980.db2.gz BYQGLNVWWVWAJT-YPMHNXCESA-N 0 3 233.330 3.785 20 0 BHADHN CC1=C[C@@H](C)CN(C/C=C\c2ccccc2)C1 ZINC000430267732 387603882 /nfs/dbraw/zinc/60/38/82/387603882.db2.gz KSVSUEYJBIRABU-DEBLGDTFSA-N 0 3 227.351 3.598 20 0 BHADHN CC1=C[C@H](C)CN(C/C=C/c2ccccc2)C1 ZINC000430267733 387602841 /nfs/dbraw/zinc/60/28/41/387602841.db2.gz KSVSUEYJBIRABU-MRZGDXHCSA-N 0 3 227.351 3.598 20 0 BHADHN CC1=C[C@H](C)CN(C/C=C\c2ccccc2)C1 ZINC000430267734 387603943 /nfs/dbraw/zinc/60/39/43/387603943.db2.gz KSVSUEYJBIRABU-PIZKADEWSA-N 0 3 227.351 3.598 20 0 BHADHN CC1=C[C@@H](C)CN(C/C=C/c2ccccc2)C1 ZINC000430267735 387602222 /nfs/dbraw/zinc/60/22/22/387602222.db2.gz KSVSUEYJBIRABU-VIIAAUOXSA-N 0 3 227.351 3.598 20 0 BHADHN CC1=C[C@H](C)CN([C@@H](C)c2cccc(F)c2)C1 ZINC000430268681 387606218 /nfs/dbraw/zinc/60/62/18/387606218.db2.gz OBNVZBZRPFQUFA-AAEUAGOBSA-N 0 3 233.330 3.785 20 0 BHADHN CC1=C[C@@H](C)CN([C@H](C)c2cccc(F)c2)C1 ZINC000430268782 387605968 /nfs/dbraw/zinc/60/59/68/387605968.db2.gz OBNVZBZRPFQUFA-DGCLKSJQSA-N 0 3 233.330 3.785 20 0 BHADHN CC1=C[C@H](C)CN([C@H](C)c2cccc(F)c2)C1 ZINC000430268783 387604404 /nfs/dbraw/zinc/60/44/04/387604404.db2.gz OBNVZBZRPFQUFA-WCQYABFASA-N 0 3 233.330 3.785 20 0 BHADHN CC1=C[C@@H](C)CN([C@@H](C)c2cccc(F)c2)C1 ZINC000430268784 387604415 /nfs/dbraw/zinc/60/44/15/387604415.db2.gz OBNVZBZRPFQUFA-YPMHNXCESA-N 0 3 233.330 3.785 20 0 BHADHN CC1=C[C@H](C)CN([C@@H](C)c2ccc(F)cc2)C1 ZINC000430268988 387606093 /nfs/dbraw/zinc/60/60/93/387606093.db2.gz OSJHCJUVIYFGGC-AAEUAGOBSA-N 0 3 233.330 3.785 20 0 BHADHN CC1=C[C@@H](C)CN([C@H](C)c2ccc(F)cc2)C1 ZINC000430268989 387604859 /nfs/dbraw/zinc/60/48/59/387604859.db2.gz OSJHCJUVIYFGGC-DGCLKSJQSA-N 0 3 233.330 3.785 20 0 BHADHN CC1=C[C@H](C)CN([C@H](C)c2ccc(F)cc2)C1 ZINC000430268990 387606451 /nfs/dbraw/zinc/60/64/51/387606451.db2.gz OSJHCJUVIYFGGC-WCQYABFASA-N 0 3 233.330 3.785 20 0 BHADHN CC1=C[C@@H](C)CN([C@@H](C)c2ccc(F)cc2)C1 ZINC000430268991 387606202 /nfs/dbraw/zinc/60/62/02/387606202.db2.gz OSJHCJUVIYFGGC-YPMHNXCESA-N 0 3 233.330 3.785 20 0 BHADHN CSc1ccc(CN2CC(C)=C[C@@H](C)C2)cc1 ZINC000430276795 387607293 /nfs/dbraw/zinc/60/72/93/387607293.db2.gz LECBAFBTJRJJIP-GFCCVEGCSA-N 0 3 247.407 3.807 20 0 BHADHN CSc1ccc(CN2CC(C)=C[C@H](C)C2)cc1 ZINC000430276797 387607175 /nfs/dbraw/zinc/60/71/75/387607175.db2.gz LECBAFBTJRJJIP-LBPRGKRZSA-N 0 3 247.407 3.807 20 0 BHADHN CC1=C[C@@H](C)CN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000430283692 398225990 /nfs/dbraw/zinc/22/59/90/398225990.db2.gz ZVVHQXIKVMZCKW-BDJLRTHQSA-N 0 3 245.341 3.711 20 0 BHADHN CC1=C[C@@H](C)CN([C@H]2CCc3ccc(F)cc32)C1 ZINC000430283694 398226014 /nfs/dbraw/zinc/22/60/14/398226014.db2.gz ZVVHQXIKVMZCKW-BZNIZROVSA-N 0 3 245.341 3.711 20 0 BHADHN CC1=C[C@H](C)CN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000430283696 398226311 /nfs/dbraw/zinc/22/63/11/398226311.db2.gz ZVVHQXIKVMZCKW-MEDUHNTESA-N 0 3 245.341 3.711 20 0 BHADHN CC1=C[C@H](C)CN([C@H]2CCc3ccc(F)cc32)C1 ZINC000430283697 398226170 /nfs/dbraw/zinc/22/61/70/398226170.db2.gz ZVVHQXIKVMZCKW-ZBEGNZNMSA-N 0 3 245.341 3.711 20 0 BHADHN CSc1ccccc1CN1CC(C)=C[C@@H](C)C1 ZINC000430283824 398227060 /nfs/dbraw/zinc/22/70/60/398227060.db2.gz LGDZJJNGFNIYNH-GFCCVEGCSA-N 0 3 247.407 3.807 20 0 BHADHN CSc1ccccc1CN1CC(C)=C[C@H](C)C1 ZINC000430283825 398227110 /nfs/dbraw/zinc/22/71/10/398227110.db2.gz LGDZJJNGFNIYNH-LBPRGKRZSA-N 0 3 247.407 3.807 20 0 BHADHN CC1=C[C@H](C)CN(CCCCC(F)(F)F)C1 ZINC000430284222 398226936 /nfs/dbraw/zinc/22/69/36/398226936.db2.gz NEESYDCWOCQGRY-JTQLQIEISA-N 0 3 235.293 3.617 20 0 BHADHN CC1=C[C@@H](C)CN(CCCCC(F)(F)F)C1 ZINC000430284223 398227043 /nfs/dbraw/zinc/22/70/43/398227043.db2.gz NEESYDCWOCQGRY-SNVBAGLBSA-N 0 3 235.293 3.617 20 0 BHADHN CC1=CCN(CCSCc2ccccc2)CC1 ZINC000430750585 398230018 /nfs/dbraw/zinc/23/00/18/398230018.db2.gz BYMNEFWSRQJXIP-UHFFFAOYSA-N 0 3 247.407 3.572 20 0 BHADHN CCC(CC)NCc1c(F)cc(F)c(F)c1F ZINC000430751795 398230264 /nfs/dbraw/zinc/23/02/64/398230264.db2.gz ZWVLCEBGGXQSHV-UHFFFAOYSA-N 0 3 249.251 3.521 20 0 BHADHN CC1=C[C@@H](C)CN(C/C=C\c2ccc(F)cc2)C1 ZINC000430869886 387655452 /nfs/dbraw/zinc/65/54/52/387655452.db2.gz RNIURCRFIGZAEG-DHCBQETCSA-N 0 3 245.341 3.737 20 0 BHADHN CC1=C[C@@H](C)CN(C/C=C/c2ccc(F)cc2)C1 ZINC000430869887 387655422 /nfs/dbraw/zinc/65/54/22/387655422.db2.gz RNIURCRFIGZAEG-ITDFMYJTSA-N 0 3 245.341 3.737 20 0 BHADHN CC1=C[C@H](C)CN(C/C=C/c2ccc(F)cc2)C1 ZINC000430869889 387656717 /nfs/dbraw/zinc/65/67/17/387656717.db2.gz RNIURCRFIGZAEG-OOPCZODUSA-N 0 3 245.341 3.737 20 0 BHADHN CC1=C[C@H](C)CN(C/C=C\c2ccc(F)cc2)C1 ZINC000430869891 387656972 /nfs/dbraw/zinc/65/69/72/387656972.db2.gz RNIURCRFIGZAEG-SCOBNMCVSA-N 0 3 245.341 3.737 20 0 BHADHN CCCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000432011142 387744425 /nfs/dbraw/zinc/74/44/25/387744425.db2.gz GVAZLNVKDGCIJJ-AWEZNQCLSA-N 0 3 239.309 3.902 20 0 BHADHN CCCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432011143 387742818 /nfs/dbraw/zinc/74/28/18/387742818.db2.gz GVAZLNVKDGCIJJ-CQSZACIVSA-N 0 3 239.309 3.902 20 0 BHADHN CCN(Cc1ccc(C(F)(F)F)s1)C1CC1 ZINC000432737138 387812977 /nfs/dbraw/zinc/81/29/77/387812977.db2.gz AZDHCPWZKLHNFT-UHFFFAOYSA-N 0 3 249.301 3.751 20 0 BHADHN CCN(CC)Cc1ccc(C(F)(F)F)s1 ZINC000432739972 387811240 /nfs/dbraw/zinc/81/12/40/387811240.db2.gz UGYDDZVVHIIACM-UHFFFAOYSA-N 0 3 237.290 3.609 20 0 BHADHN CN(Cc1ccc(C(F)(F)F)s1)C1CCC1 ZINC000432742208 387812574 /nfs/dbraw/zinc/81/25/74/387812574.db2.gz QYIVONQQZZLBQH-UHFFFAOYSA-N 0 3 249.301 3.751 20 0 BHADHN CN(Cc1ccc(C(F)(F)F)s1)CC1CC1 ZINC000432742490 387811471 /nfs/dbraw/zinc/81/14/71/387811471.db2.gz SRVKDQFHUAAYDP-UHFFFAOYSA-N 0 3 249.301 3.609 20 0 BHADHN CC(C)N(C)Cc1ccc(C(F)(F)F)s1 ZINC000432743557 387812850 /nfs/dbraw/zinc/81/28/50/387812850.db2.gz WBWXASYSTGDFFR-UHFFFAOYSA-N 0 3 237.290 3.607 20 0 BHADHN CCCN(C)Cc1ccc(C(F)(F)F)s1 ZINC000432747499 387812523 /nfs/dbraw/zinc/81/25/23/387812523.db2.gz OWTLGZUIQUHQBA-UHFFFAOYSA-N 0 3 237.290 3.609 20 0 BHADHN C[C@H](c1ccco1)N(CC1(C)CCC1)C1CC1 ZINC000432776226 387816240 /nfs/dbraw/zinc/81/62/40/387816240.db2.gz MCBVURZJUKKYQI-GFCCVEGCSA-N 0 3 233.355 3.995 20 0 BHADHN C[C@@H](c1ccco1)N(CC1(C)CCC1)C1CC1 ZINC000432776228 387355159 /nfs/dbraw/zinc/35/51/59/387355159.db2.gz MCBVURZJUKKYQI-LBPRGKRZSA-N 0 3 233.355 3.995 20 0 BHADHN CN(Cc1cc(F)cc(F)c1)CC1(C)CCC1 ZINC000432809571 387825610 /nfs/dbraw/zinc/82/56/10/387825610.db2.gz QIUTVBDJGXEUFX-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN CCc1ccc(CN2CC3(CCC3)C[C@H]2C)o1 ZINC000432817261 387827856 /nfs/dbraw/zinc/82/78/56/387827856.db2.gz TUMNOELEEUHTPM-GFCCVEGCSA-N 0 3 233.355 3.607 20 0 BHADHN CCc1ccc(CN2CC3(CCC3)C[C@@H]2C)o1 ZINC000432817263 387827721 /nfs/dbraw/zinc/82/77/21/387827721.db2.gz TUMNOELEEUHTPM-LBPRGKRZSA-N 0 3 233.355 3.607 20 0 BHADHN CCOc1ccccc1CN(C)CC1(C)CCC1 ZINC000432931726 387844582 /nfs/dbraw/zinc/84/45/82/387844582.db2.gz DSRSIZKAXNDDKS-UHFFFAOYSA-N 0 3 247.382 3.707 20 0 BHADHN CN(Cc1ccc(F)cc1F)CC1(C)CCC1 ZINC000432936276 387842809 /nfs/dbraw/zinc/84/28/09/387842809.db2.gz FMDQHZVHLNAKGN-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN CCCCSCCN(C)Cc1ccccc1 ZINC000433016571 387851234 /nfs/dbraw/zinc/85/12/34/387851234.db2.gz RWMLKWXAMDCIDW-UHFFFAOYSA-N 0 3 237.412 3.652 20 0 BHADHN CN(CCSCCC1CC1)Cc1ccccc1 ZINC000433018596 387850919 /nfs/dbraw/zinc/85/09/19/387850919.db2.gz FHGCIVGFBPLKGV-UHFFFAOYSA-N 0 3 249.423 3.652 20 0 BHADHN C[C@@H]1CC2(CCC2)CN1Cc1ccccc1F ZINC000433025118 387852141 /nfs/dbraw/zinc/85/21/41/387852141.db2.gz HRPDGSNMMSUZPF-GFCCVEGCSA-N 0 3 233.330 3.590 20 0 BHADHN C[C@H]1CC2(CCC2)CN1Cc1ccccc1F ZINC000433025119 387852276 /nfs/dbraw/zinc/85/22/76/387852276.db2.gz HRPDGSNMMSUZPF-LBPRGKRZSA-N 0 3 233.330 3.590 20 0 BHADHN CC(C)C1CCC(N(C)Cc2ccccn2)CC1 ZINC000433026563 387851748 /nfs/dbraw/zinc/85/17/48/387851748.db2.gz GKSDQCBVBOFDSA-UHFFFAOYSA-N 0 3 246.398 3.728 20 0 BHADHN CN(CCSCC1CCC1)Cc1ccccc1 ZINC000433030237 387853572 /nfs/dbraw/zinc/85/35/72/387853572.db2.gz VNRABGSNSMFMNV-UHFFFAOYSA-N 0 3 249.423 3.652 20 0 BHADHN CN(CCSC1CCCC1)Cc1ccccc1 ZINC000433033864 387854378 /nfs/dbraw/zinc/85/43/78/387854378.db2.gz QRVWVQCLTVEWKY-UHFFFAOYSA-N 0 3 249.423 3.794 20 0 BHADHN CC[C@@H](C)SCCN(C)Cc1ccccc1 ZINC000433041451 387855250 /nfs/dbraw/zinc/85/52/50/387855250.db2.gz UTTMEEJRCKIWIQ-CYBMUJFWSA-N 0 3 237.412 3.650 20 0 BHADHN CC[C@H](C)SCCN(C)Cc1ccccc1 ZINC000433041452 387855445 /nfs/dbraw/zinc/85/54/45/387855445.db2.gz UTTMEEJRCKIWIQ-ZDUSSCGKSA-N 0 3 237.412 3.650 20 0 BHADHN Cc1cccc2c1CN(Cc1ccsc1)CC2 ZINC000433049037 397917802 /nfs/dbraw/zinc/91/78/02/397917802.db2.gz PTONXKSFXBJYLF-UHFFFAOYSA-N 0 3 243.375 3.615 20 0 BHADHN CC[C@H](F)CN1CCC[C@@H](c2ccccc2)C1 ZINC000433049355 192422747 /nfs/dbraw/zinc/42/27/47/192422747.db2.gz SYPRDPSJZHUSTO-CABCVRRESA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@H](F)CN1CCC[C@H](c2ccccc2)C1 ZINC000433049356 387587594 /nfs/dbraw/zinc/58/75/94/387587594.db2.gz SYPRDPSJZHUSTO-GJZGRUSLSA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@@H](F)CN1CCC[C@@H](c2ccccc2)C1 ZINC000433049357 192422756 /nfs/dbraw/zinc/42/27/56/192422756.db2.gz SYPRDPSJZHUSTO-HUUCEWRRSA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@@H](F)CN1CCC[C@H](c2ccccc2)C1 ZINC000433049358 387587428 /nfs/dbraw/zinc/58/74/28/387587428.db2.gz SYPRDPSJZHUSTO-LSDHHAIUSA-N 0 3 235.346 3.614 20 0 BHADHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(Cl)o2)C1 ZINC000433057941 387858333 /nfs/dbraw/zinc/85/83/33/387858333.db2.gz NVILJAKOXXBJTH-NXEZZACHSA-N 0 3 227.735 3.553 20 0 BHADHN C[C@H]1CC[C@H](N(C)Cc2ccc(Cl)o2)C1 ZINC000433057943 387858098 /nfs/dbraw/zinc/85/80/98/387858098.db2.gz NVILJAKOXXBJTH-UWVGGRQHSA-N 0 3 227.735 3.553 20 0 BHADHN C[C@H]1CC[C@@H](N(C)Cc2ccc(Cl)o2)C1 ZINC000433057945 387858194 /nfs/dbraw/zinc/85/81/94/387858194.db2.gz NVILJAKOXXBJTH-VHSXEESVSA-N 0 3 227.735 3.553 20 0 BHADHN C[C@@H]1CC[C@H](N(C)Cc2ccc(Cl)o2)C1 ZINC000433057946 387857777 /nfs/dbraw/zinc/85/77/77/387857777.db2.gz NVILJAKOXXBJTH-ZJUUUORDSA-N 0 3 227.735 3.553 20 0 BHADHN CC1(C)CC(NC2(c3cccc(F)c3)CC2)C1 ZINC000433220482 201170575 /nfs/dbraw/zinc/17/05/75/201170575.db2.gz MVNJVJZHZVOQSP-UHFFFAOYSA-N 0 3 233.330 3.593 20 0 BHADHN CC1(C)CC(NC2(c3ccccc3F)CC2)C1 ZINC000433221320 201170209 /nfs/dbraw/zinc/17/02/09/201170209.db2.gz PAFYCPYLVVCLPT-UHFFFAOYSA-N 0 3 233.330 3.593 20 0 BHADHN Cc1ccc2c(c1C)OC[C@@H]2NC1CC(C)(C)C1 ZINC000433289236 201175653 /nfs/dbraw/zinc/17/56/53/201175653.db2.gz PHULHZAUPJKCFW-AWEZNQCLSA-N 0 3 245.366 3.515 20 0 BHADHN Cc1ccc2c(c1C)OC[C@H]2NC1CC(C)(C)C1 ZINC000433289243 201177458 /nfs/dbraw/zinc/17/74/58/201177458.db2.gz PHULHZAUPJKCFW-CQSZACIVSA-N 0 3 245.366 3.515 20 0 BHADHN CC(C)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433290733 201175715 /nfs/dbraw/zinc/17/57/15/201175715.db2.gz UGAHVCJYHFBENN-GFCCVEGCSA-N 0 3 223.747 3.538 20 0 BHADHN CC(C)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433290741 201176483 /nfs/dbraw/zinc/17/64/83/201176483.db2.gz UGAHVCJYHFBENN-LBPRGKRZSA-N 0 3 223.747 3.538 20 0 BHADHN CC[C@@H](NC1CC(C)(C)C1)c1c(C)noc1C ZINC000433305488 201179333 /nfs/dbraw/zinc/17/93/33/201179333.db2.gz PPFOQWBWTIFACW-GFCCVEGCSA-N 0 3 236.359 3.521 20 0 BHADHN CC[C@H](NC1CC(C)(C)C1)c1c(C)noc1C ZINC000433305489 201179069 /nfs/dbraw/zinc/17/90/69/201179069.db2.gz PPFOQWBWTIFACW-LBPRGKRZSA-N 0 3 236.359 3.521 20 0 BHADHN CCOc1cc(C)ccc1CNC1CC(C)(C)C1 ZINC000433307211 201179199 /nfs/dbraw/zinc/17/91/99/201179199.db2.gz UXEXEHNSTGOUFH-UHFFFAOYSA-N 0 3 247.382 3.672 20 0 BHADHN CCCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433313053 201178028 /nfs/dbraw/zinc/17/80/28/201178028.db2.gz TWAPYDPZXDQNFS-GFCCVEGCSA-N 0 3 223.747 3.539 20 0 BHADHN CCCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433313055 201178094 /nfs/dbraw/zinc/17/80/94/201178094.db2.gz TWAPYDPZXDQNFS-LBPRGKRZSA-N 0 3 223.747 3.539 20 0 BHADHN CN(CCc1cccc(Cl)c1Cl)C1CC1 ZINC000434535197 201225826 /nfs/dbraw/zinc/22/58/26/201225826.db2.gz MKOJUPNERQDGPZ-UHFFFAOYSA-N 0 3 244.165 3.630 20 0 BHADHN CCc1ccc(CNC2CCC3(CC3)CC2)o1 ZINC000434775556 201238894 /nfs/dbraw/zinc/23/88/94/201238894.db2.gz KMKMIMOLHJVLLM-UHFFFAOYSA-N 0 3 233.355 3.654 20 0 BHADHN CCCN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434899126 201245133 /nfs/dbraw/zinc/24/51/33/201245133.db2.gz ZVOGQNPRGFYBJI-UHFFFAOYSA-N 0 3 235.758 3.839 20 0 BHADHN CCCN(CC)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000434980762 201247855 /nfs/dbraw/zinc/24/78/55/201247855.db2.gz BEVGZPSAHUELAF-AAEUAGOBSA-N 0 3 221.344 3.635 20 0 BHADHN CCCN(CC)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000434980763 201248874 /nfs/dbraw/zinc/24/88/74/201248874.db2.gz BEVGZPSAHUELAF-DGCLKSJQSA-N 0 3 221.344 3.635 20 0 BHADHN CCCN(CC)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000434980764 201248885 /nfs/dbraw/zinc/24/88/85/201248885.db2.gz BEVGZPSAHUELAF-WCQYABFASA-N 0 3 221.344 3.635 20 0 BHADHN CCCN(CC)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000434980765 201247574 /nfs/dbraw/zinc/24/75/74/201247574.db2.gz BEVGZPSAHUELAF-YPMHNXCESA-N 0 3 221.344 3.635 20 0 BHADHN CCCN(CC)Cc1cnc(C2CCC2)s1 ZINC000434980774 201247081 /nfs/dbraw/zinc/24/70/81/201247081.db2.gz BIISANNBCFWRED-UHFFFAOYSA-N 0 3 238.400 3.643 20 0 BHADHN CCCN(CC)Cc1ccccc1OCC1CC1 ZINC000434981195 201247871 /nfs/dbraw/zinc/24/78/71/201247871.db2.gz DTODYDPKJWZZMQ-UHFFFAOYSA-N 0 3 247.382 3.707 20 0 BHADHN CCCN(CC)Cc1cnc(C(C)(C)C)s1 ZINC000434982584 201247052 /nfs/dbraw/zinc/24/70/52/201247052.db2.gz MBDDHYLLPWLRSV-UHFFFAOYSA-N 0 3 240.416 3.673 20 0 BHADHN CCCCN1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000435043793 201249937 /nfs/dbraw/zinc/24/99/37/201249937.db2.gz QZXYZDMEBDKMRL-GDBMZVCRSA-N 0 3 247.382 3.557 20 0 BHADHN CCCCN1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000435043794 201250224 /nfs/dbraw/zinc/25/02/24/201250224.db2.gz QZXYZDMEBDKMRL-GOEBONIOSA-N 0 3 247.382 3.557 20 0 BHADHN CCCCN1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000435043795 201247130 /nfs/dbraw/zinc/24/71/30/201247130.db2.gz QZXYZDMEBDKMRL-HOCLYGCPSA-N 0 3 247.382 3.557 20 0 BHADHN CCCCN1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000435043796 201246982 /nfs/dbraw/zinc/24/69/82/201246982.db2.gz QZXYZDMEBDKMRL-ZBFHGGJFSA-N 0 3 247.382 3.557 20 0 BHADHN Cc1ccoc1CN(Cc1ccccc1)C(C)C ZINC000435231019 201256763 /nfs/dbraw/zinc/25/67/63/201256763.db2.gz SPDFSSRSMWMYPV-UHFFFAOYSA-N 0 3 243.350 3.999 20 0 BHADHN Cc1ccsc1CN1CCc2ccccc2C1 ZINC000435235943 201257485 /nfs/dbraw/zinc/25/74/85/201257485.db2.gz PGVLMPCOTJMSON-UHFFFAOYSA-N 0 3 243.375 3.615 20 0 BHADHN CCCN(Cc1ccc(Cl)o1)CC1CC1 ZINC000435236699 201258335 /nfs/dbraw/zinc/25/83/35/201258335.db2.gz UKBNGDYAWTUVKJ-UHFFFAOYSA-N 0 3 227.735 3.555 20 0 BHADHN Cc1cc(CN(C)Cc2ccccc2)ccc1F ZINC000435243632 201257994 /nfs/dbraw/zinc/25/79/94/201257994.db2.gz WUBATWQWFGNTDB-UHFFFAOYSA-N 0 3 243.325 3.766 20 0 BHADHN Cc1cc(N2CCC=C(C)C2)c2ccccc2n1 ZINC000435586509 201278121 /nfs/dbraw/zinc/27/81/21/201278121.db2.gz ZERUMQVFYOAZHR-UHFFFAOYSA-N 0 3 238.334 3.700 20 0 BHADHN Cc1ccc2nccc(N3CCC=C(C)C3)c2c1 ZINC000435590710 201277426 /nfs/dbraw/zinc/27/74/26/201277426.db2.gz YFISLIMTLVIFHX-UHFFFAOYSA-N 0 3 238.334 3.700 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN(C)CC2CCC2)o1 ZINC000435771222 201287492 /nfs/dbraw/zinc/28/74/92/201287492.db2.gz UJZWXMYPDDACIO-BXUZGUMPSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN(C)CC2CCC2)o1 ZINC000435771223 201288733 /nfs/dbraw/zinc/28/87/33/201288733.db2.gz UJZWXMYPDDACIO-FZMZJTMJSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN(C)CC2CCC2)o1 ZINC000435771224 201287882 /nfs/dbraw/zinc/28/78/82/201287882.db2.gz UJZWXMYPDDACIO-RISCZKNCSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN(C)CC2CCC2)o1 ZINC000435771225 201288620 /nfs/dbraw/zinc/28/86/20/201288620.db2.gz UJZWXMYPDDACIO-SMDDNHRTSA-N 0 3 233.355 3.635 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H]1CC)c1ccc(F)cc1F ZINC000435778063 201287147 /nfs/dbraw/zinc/28/71/47/201287147.db2.gz KTUNHOBPUWBMHR-BIGNPOOSSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H](N[C@@H]1C[C@H]1CC)c1ccc(F)cc1F ZINC000435778064 201288959 /nfs/dbraw/zinc/28/89/59/201288959.db2.gz KTUNHOBPUWBMHR-OWYVNGRQSA-N 0 3 239.309 3.804 20 0 BHADHN Cc1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)o1 ZINC000435788558 201288757 /nfs/dbraw/zinc/28/87/57/201288757.db2.gz UFMPGYCPDLWHAP-SHTZXODSSA-N 0 3 241.334 3.624 20 0 BHADHN CC1=CCCN([C@H]2CCc3ccc(Cl)cc32)C1 ZINC000436251660 201317902 /nfs/dbraw/zinc/31/79/02/201317902.db2.gz GDIDVICGJAXFJT-HNNXBMFYSA-N 0 3 247.769 3.979 20 0 BHADHN CC1=CCCN([C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000436251661 201315766 /nfs/dbraw/zinc/31/57/66/201315766.db2.gz GDIDVICGJAXFJT-OAHLLOKOSA-N 0 3 247.769 3.979 20 0 BHADHN CC1=CCCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000436252465 201317959 /nfs/dbraw/zinc/31/79/59/201317959.db2.gz MFFDWTJFQIXRNL-HNNXBMFYSA-N 0 3 247.769 3.979 20 0 BHADHN CC1=CCCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000436252467 201315486 /nfs/dbraw/zinc/31/54/86/201315486.db2.gz MFFDWTJFQIXRNL-OAHLLOKOSA-N 0 3 247.769 3.979 20 0 BHADHN CC1=CCCN(Cc2ccc(OC(C)C)cc2)C1 ZINC000436256533 201315502 /nfs/dbraw/zinc/31/55/02/201315502.db2.gz ASJIXGCRXWJAQC-UHFFFAOYSA-N 0 3 245.366 3.626 20 0 BHADHN CC1=CCCN(CCc2ccccc2Cl)C1 ZINC000436256924 201315581 /nfs/dbraw/zinc/31/55/81/201315581.db2.gz BZBIRSWBOHGZKO-UHFFFAOYSA-N 0 3 235.758 3.535 20 0 BHADHN CC1=CCCN(Cc2cccc(OC(C)C)c2)C1 ZINC000436257476 201317504 /nfs/dbraw/zinc/31/75/04/201317504.db2.gz FMCZLRPKJSJBMW-UHFFFAOYSA-N 0 3 245.366 3.626 20 0 BHADHN CC1=CCCN(Cc2cc3ccccc3o2)C1 ZINC000436258752 201315684 /nfs/dbraw/zinc/31/56/84/201315684.db2.gz JFBCZPRHLBSCSH-UHFFFAOYSA-N 0 3 227.307 3.585 20 0 BHADHN CC1=CCCN([C@H](C)c2ccc(F)cc2)C1 ZINC000436261303 201317392 /nfs/dbraw/zinc/31/73/92/201317392.db2.gz JVHIDGCCENEBJB-GFCCVEGCSA-N 0 3 219.303 3.539 20 0 BHADHN CC1=CCCN([C@@H](C)c2ccc(F)cc2)C1 ZINC000436261304 201317837 /nfs/dbraw/zinc/31/78/37/201317837.db2.gz JVHIDGCCENEBJB-LBPRGKRZSA-N 0 3 219.303 3.539 20 0 BHADHN CC1=CCCN(Cc2ccccc2OC(C)C)C1 ZINC000436263526 201317410 /nfs/dbraw/zinc/31/74/10/201317410.db2.gz SKPKPXNDFWRXJE-UHFFFAOYSA-N 0 3 245.366 3.626 20 0 BHADHN CC[C@@H](c1ccc(F)cc1)N1CCC=C(C)C1 ZINC000436264251 201317593 /nfs/dbraw/zinc/31/75/93/201317593.db2.gz PGJKNRKFVBWPPK-HNNXBMFYSA-N 0 3 233.330 3.929 20 0 BHADHN CC[C@H](c1ccc(F)cc1)N1CCC=C(C)C1 ZINC000436264252 201316930 /nfs/dbraw/zinc/31/69/30/201316930.db2.gz PGJKNRKFVBWPPK-OAHLLOKOSA-N 0 3 233.330 3.929 20 0 BHADHN CSc1ccc(CN2CCC=C(C)C2)cc1 ZINC000436265367 201316305 /nfs/dbraw/zinc/31/63/05/201316305.db2.gz MBUNNXFWDVCUSD-UHFFFAOYSA-N 0 3 233.380 3.561 20 0 BHADHN CC1=CCCN([C@H](C)c2ccccc2F)C1 ZINC000436267206 201317067 /nfs/dbraw/zinc/31/70/67/201317067.db2.gz WMNAQUUQRRDMCL-GFCCVEGCSA-N 0 3 219.303 3.539 20 0 BHADHN CC1=CCCN([C@@H](C)c2ccccc2F)C1 ZINC000436267207 201317401 /nfs/dbraw/zinc/31/74/01/201317401.db2.gz WMNAQUUQRRDMCL-LBPRGKRZSA-N 0 3 219.303 3.539 20 0 BHADHN CC1=CCCN([C@H](C)c2cccc(F)c2)C1 ZINC000436267248 201318048 /nfs/dbraw/zinc/31/80/48/201318048.db2.gz XEAYZXVCAVRVCO-GFCCVEGCSA-N 0 3 219.303 3.539 20 0 BHADHN CC1=CCCN([C@@H](C)c2cccc(F)c2)C1 ZINC000436267249 201316005 /nfs/dbraw/zinc/31/60/05/201316005.db2.gz XEAYZXVCAVRVCO-LBPRGKRZSA-N 0 3 219.303 3.539 20 0 BHADHN Cc1cc(CN2CCC=C(C)C2)c(C)s1 ZINC000436267657 385940296 /nfs/dbraw/zinc/94/02/96/385940296.db2.gz YLKUSEDOXGADNA-UHFFFAOYSA-N 0 3 221.369 3.517 20 0 BHADHN CC1=CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000436268755 201315470 /nfs/dbraw/zinc/31/54/70/201315470.db2.gz VHLQWMQKRHYINU-UHFFFAOYSA-N 0 3 237.293 3.776 20 0 BHADHN CSc1ccccc1CN1CCC=C(C)C1 ZINC000436269351 201315950 /nfs/dbraw/zinc/31/59/50/201315950.db2.gz XSWQJRWWVNOVMH-UHFFFAOYSA-N 0 3 233.380 3.561 20 0 BHADHN CC1=CCCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000436273193 201318379 /nfs/dbraw/zinc/31/83/79/201318379.db2.gz VOOVEJSYBHKLLS-INIZCTEOSA-N 0 3 245.341 3.855 20 0 BHADHN CC1=CCCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000436273201 201318429 /nfs/dbraw/zinc/31/84/29/201318429.db2.gz VOOVEJSYBHKLLS-MRXNPFEDSA-N 0 3 245.341 3.855 20 0 BHADHN C[C@@H](NCCF)c1cccc(-c2ccccc2)c1 ZINC000436288764 201319988 /nfs/dbraw/zinc/31/99/88/201319988.db2.gz FYGHIQNHFUFDNP-CYBMUJFWSA-N 0 3 243.325 3.974 20 0 BHADHN C[C@H](NCCF)c1cccc(-c2ccccc2)c1 ZINC000436288765 201318936 /nfs/dbraw/zinc/31/89/36/201318936.db2.gz FYGHIQNHFUFDNP-ZDUSSCGKSA-N 0 3 243.325 3.974 20 0 BHADHN FCCN[C@@H]1CCCc2c3ccccc3sc21 ZINC000436290531 201319191 /nfs/dbraw/zinc/31/91/91/201319191.db2.gz ZBWPPYBYFKYEJP-GFCCVEGCSA-N 0 3 249.354 3.838 20 0 BHADHN FCCN[C@H]1CCCc2c3ccccc3sc21 ZINC000436290533 201318472 /nfs/dbraw/zinc/31/84/72/201318472.db2.gz ZBWPPYBYFKYEJP-LBPRGKRZSA-N 0 3 249.354 3.838 20 0 BHADHN CC1(C)CCc2ccccc2[C@@H](NCCF)C1 ZINC000436293379 201319617 /nfs/dbraw/zinc/31/96/17/201319617.db2.gz MOOUOAUFPFXTMD-AWEZNQCLSA-N 0 3 235.346 3.649 20 0 BHADHN CC1(C)CCc2ccccc2[C@H](NCCF)C1 ZINC000436293380 201319510 /nfs/dbraw/zinc/31/95/10/201319510.db2.gz MOOUOAUFPFXTMD-CQSZACIVSA-N 0 3 235.346 3.649 20 0 BHADHN Fc1cccc2[nH]c(CN[C@@H]3C=CCCC3)cc21 ZINC000436296359 201321367 /nfs/dbraw/zinc/32/13/67/201321367.db2.gz RLZLSCPXBKXRTN-LLVKDONJSA-N 0 3 244.313 3.505 20 0 BHADHN Fc1cccc2[nH]c(CN[C@H]3C=CCCC3)cc21 ZINC000436296360 201320405 /nfs/dbraw/zinc/32/04/05/201320405.db2.gz RLZLSCPXBKXRTN-NSHDSACASA-N 0 3 244.313 3.505 20 0 BHADHN CC(C)c1ccc2c(c1)[C@@H](NCCF)CCC2 ZINC000436298479 201321574 /nfs/dbraw/zinc/32/15/74/201321574.db2.gz PVZXTQNLSZNXMK-HNNXBMFYSA-N 0 3 235.346 3.747 20 0 BHADHN CC(C)c1ccc2c(c1)[C@H](NCCF)CCC2 ZINC000436298480 201320231 /nfs/dbraw/zinc/32/02/31/201320231.db2.gz PVZXTQNLSZNXMK-OAHLLOKOSA-N 0 3 235.346 3.747 20 0 BHADHN Cc1ccc([C@@H](NCCF)C2CCCC2)cc1 ZINC000436299382 201320242 /nfs/dbraw/zinc/32/02/42/201320242.db2.gz FUAQUFSDGXXJQF-HNNXBMFYSA-N 0 3 235.346 3.785 20 0 BHADHN Cc1ccc([C@H](NCCF)C2CCCC2)cc1 ZINC000436299383 201321562 /nfs/dbraw/zinc/32/15/62/201321562.db2.gz FUAQUFSDGXXJQF-OAHLLOKOSA-N 0 3 235.346 3.785 20 0 BHADHN CC(C)(CC1CCCCCC1)NCc1cc[nH]n1 ZINC000436380537 201322093 /nfs/dbraw/zinc/32/20/93/201322093.db2.gz BGDLSJIVQYLONA-UHFFFAOYSA-N 0 3 249.402 3.638 20 0 BHADHN C[C@@H](CN(C)Cc1ccccn1)C1CCCCC1 ZINC000436470845 201328924 /nfs/dbraw/zinc/32/89/24/201328924.db2.gz IHQNOSNYJQAFCL-AWEZNQCLSA-N 0 3 246.398 3.730 20 0 BHADHN C[C@H](CN(C)Cc1ccccn1)C1CCCCC1 ZINC000436470846 201328423 /nfs/dbraw/zinc/32/84/23/201328423.db2.gz IHQNOSNYJQAFCL-CQSZACIVSA-N 0 3 246.398 3.730 20 0 BHADHN CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1ccco1 ZINC000437085014 201343607 /nfs/dbraw/zinc/34/36/07/201343607.db2.gz YYAXJHODMKVEGW-NXEZZACHSA-N 0 3 249.276 3.907 20 0 BHADHN CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1ccco1 ZINC000437085015 201343894 /nfs/dbraw/zinc/34/38/94/201343894.db2.gz YYAXJHODMKVEGW-UWVGGRQHSA-N 0 3 249.276 3.907 20 0 BHADHN CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1ccco1 ZINC000437085016 206069164 /nfs/dbraw/zinc/06/91/64/206069164.db2.gz YYAXJHODMKVEGW-VHSXEESVSA-N 0 3 249.276 3.907 20 0 BHADHN CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1ccco1 ZINC000437085017 201343112 /nfs/dbraw/zinc/34/31/12/201343112.db2.gz YYAXJHODMKVEGW-ZJUUUORDSA-N 0 3 249.276 3.907 20 0 BHADHN Cc1ccc(-c2cccc(CNCCF)c2)cc1 ZINC000437245574 201348530 /nfs/dbraw/zinc/34/85/30/201348530.db2.gz QTTSJKKHKMMVBO-UHFFFAOYSA-N 0 3 243.325 3.721 20 0 BHADHN Cc1ccc(-c2ccc(CNCCF)s2)cc1 ZINC000437259046 201350017 /nfs/dbraw/zinc/35/00/17/201350017.db2.gz NFRYPRPJWNRJQQ-UHFFFAOYSA-N 0 3 249.354 3.783 20 0 BHADHN Cc1ccccc1-c1cccc(CNCCF)c1 ZINC000437264278 201349464 /nfs/dbraw/zinc/34/94/64/201349464.db2.gz XNLAIXLPKMTHQM-UHFFFAOYSA-N 0 3 243.325 3.721 20 0 BHADHN CC1=CCCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000437340579 201351764 /nfs/dbraw/zinc/35/17/64/201351764.db2.gz VOZBXQKEGFOQJQ-UHFFFAOYSA-N 0 3 245.297 3.724 20 0 BHADHN C/C(=C/c1ccccc1)CN1CCC=C(C)C1 ZINC000437342435 201351257 /nfs/dbraw/zinc/35/12/57/201351257.db2.gz DXHQEDZFYUCTRJ-PTNGSMBKSA-N 0 3 227.351 3.742 20 0 BHADHN C/C(=C\c1ccccc1)CN1CCC=C(C)C1 ZINC000437342438 201352368 /nfs/dbraw/zinc/35/23/68/201352368.db2.gz DXHQEDZFYUCTRJ-RVDMUPIBSA-N 0 3 227.351 3.742 20 0 BHADHN CC1=CCCN(Cc2cccn2CCC(C)C)C1 ZINC000437342990 201351098 /nfs/dbraw/zinc/35/10/98/201351098.db2.gz CDLUVCRVEAROOG-UHFFFAOYSA-N 0 3 246.398 3.686 20 0 BHADHN CCCOc1cccc(CN2CCC=C(C)C2)c1 ZINC000437345066 201350851 /nfs/dbraw/zinc/35/08/51/201350851.db2.gz JWMIWBYUSPKHCH-UHFFFAOYSA-N 0 3 245.366 3.627 20 0 BHADHN Cc1oc2ccccc2c1CN1CCC=C(C)C1 ZINC000437348361 201351732 /nfs/dbraw/zinc/35/17/32/201351732.db2.gz SENNBNSYCUHYSV-UHFFFAOYSA-N 0 3 241.334 3.893 20 0 BHADHN CC1=CCCN(Cc2coc3ccccc23)C1 ZINC000437349677 201350785 /nfs/dbraw/zinc/35/07/85/201350785.db2.gz VMVYPQUVYAPTPQ-UHFFFAOYSA-N 0 3 227.307 3.585 20 0 BHADHN CCSc1cccc(CN2CCC=C(C)C2)c1 ZINC000437351556 201351405 /nfs/dbraw/zinc/35/14/05/201351405.db2.gz ZRHBQQXOVZWHFU-UHFFFAOYSA-N 0 3 247.407 3.951 20 0 BHADHN CCCCN(C)Cc1cc2c(cccc2F)[nH]1 ZINC000437574850 201355644 /nfs/dbraw/zinc/35/56/44/201355644.db2.gz DIHRFAAYJOKYGZ-UHFFFAOYSA-N 0 3 234.318 3.539 20 0 BHADHN CCCN(CC)Cc1ccc(Cl)cc1F ZINC000437581494 201358246 /nfs/dbraw/zinc/35/82/46/201358246.db2.gz PTRJYWAMEQEPHV-UHFFFAOYSA-N 0 3 229.726 3.711 20 0 BHADHN C[C@H](CN(C)Cc1ccco1)c1ccc(F)cc1 ZINC000437581563 201356410 /nfs/dbraw/zinc/35/64/10/201356410.db2.gz WGRDUVDYLMHJEF-GFCCVEGCSA-N 0 3 247.313 3.654 20 0 BHADHN C[C@@H](CN(C)Cc1ccco1)c1ccc(F)cc1 ZINC000437581564 201356401 /nfs/dbraw/zinc/35/64/01/201356401.db2.gz WGRDUVDYLMHJEF-LBPRGKRZSA-N 0 3 247.313 3.654 20 0 BHADHN CC(C)N(Cc1ccc(Cl)cc1F)C1CC1 ZINC000437584317 201359494 /nfs/dbraw/zinc/35/94/94/201359494.db2.gz VPUZBRAXLSYKLW-UHFFFAOYSA-N 0 3 241.737 3.852 20 0 BHADHN CCN(Cc1ccc(Cl)cc1F)C(C)C ZINC000437589168 201360832 /nfs/dbraw/zinc/36/08/32/201360832.db2.gz JOOSZUZHBJUWHX-UHFFFAOYSA-N 0 3 229.726 3.709 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1ccc(Cl)cc1F ZINC000437590337 201359242 /nfs/dbraw/zinc/35/92/42/201359242.db2.gz MASOGSHHODIXLA-SECBINFHSA-N 0 3 241.737 3.709 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1ccc(Cl)cc1F ZINC000437590339 201361275 /nfs/dbraw/zinc/36/12/75/201361275.db2.gz MASOGSHHODIXLA-VIFPVBQESA-N 0 3 241.737 3.709 20 0 BHADHN CN(Cc1cc2c(cccc2F)[nH]1)CC(C)(C)C ZINC000437590396 201360427 /nfs/dbraw/zinc/36/04/27/201360427.db2.gz GZYGQOVWTYMNAQ-UHFFFAOYSA-N 0 3 248.345 3.785 20 0 BHADHN C[C@@H]1CCCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437590993 201360216 /nfs/dbraw/zinc/36/02/16/201360216.db2.gz IJXPUAMIAYZLQN-LLVKDONJSA-N 0 3 246.329 3.539 20 0 BHADHN C[C@H]1CCCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437590994 201360005 /nfs/dbraw/zinc/36/00/05/201360005.db2.gz IJXPUAMIAYZLQN-NSHDSACASA-N 0 3 246.329 3.539 20 0 BHADHN CCCN(Cc1ccc(Cl)cc1F)C1CC1 ZINC000437594025 201356887 /nfs/dbraw/zinc/35/68/87/201356887.db2.gz PCMDRVNEJAOBQO-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN C[C@@H]1CCCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000437595688 201360992 /nfs/dbraw/zinc/36/09/92/201360992.db2.gz ZBSTWFYWLYTPGO-LLVKDONJSA-N 0 3 246.329 3.681 20 0 BHADHN C[C@H]1CCCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000437595689 201361319 /nfs/dbraw/zinc/36/13/19/201361319.db2.gz ZBSTWFYWLYTPGO-NSHDSACASA-N 0 3 246.329 3.681 20 0 BHADHN CC1CCN(Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437595797 201360878 /nfs/dbraw/zinc/36/08/78/201360878.db2.gz ZRDHJBDIOQQQQJ-UHFFFAOYSA-N 0 3 246.329 3.539 20 0 BHADHN CN(Cc1ccc(Cl)cc1F)CC1CCC1 ZINC000437596471 201360918 /nfs/dbraw/zinc/36/09/18/201360918.db2.gz YILQNKKJZPUKDI-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CCCN(Cc1cc2c(cccc2F)[nH]1)C1CC1 ZINC000437596612 201359966 /nfs/dbraw/zinc/35/99/66/201359966.db2.gz ZUKJHLMNVBMQKM-UHFFFAOYSA-N 0 3 246.329 3.681 20 0 BHADHN C[C@H](CN(C)Cc1ccoc1)c1ccc(F)cc1 ZINC000437684300 201366491 /nfs/dbraw/zinc/36/64/91/201366491.db2.gz FPVYWSFSDNNFJF-GFCCVEGCSA-N 0 3 247.313 3.654 20 0 BHADHN C[C@@H](CN(C)Cc1ccoc1)c1ccc(F)cc1 ZINC000437684301 201366196 /nfs/dbraw/zinc/36/61/96/201366196.db2.gz FPVYWSFSDNNFJF-LBPRGKRZSA-N 0 3 247.313 3.654 20 0 BHADHN CC[C@@H]1CCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000437686462 201368160 /nfs/dbraw/zinc/36/81/60/201368160.db2.gz MDAINHKRJAMTBB-GFCCVEGCSA-N 0 3 246.329 3.681 20 0 BHADHN CC[C@H]1CCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000437686465 201368344 /nfs/dbraw/zinc/36/83/44/201368344.db2.gz MDAINHKRJAMTBB-LBPRGKRZSA-N 0 3 246.329 3.681 20 0 BHADHN CC1(C)CCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000437754408 206072242 /nfs/dbraw/zinc/07/22/42/206072242.db2.gz ZWTDUXIJJMYYOU-UHFFFAOYSA-N 0 3 246.329 3.681 20 0 BHADHN CCC(C)(C)CCN(C)Cc1cccc(C)n1 ZINC000437892221 201379071 /nfs/dbraw/zinc/37/90/71/201379071.db2.gz WGXBNUSTDFFUCB-UHFFFAOYSA-N 0 3 234.387 3.648 20 0 BHADHN CCN(Cc1ccc(Cl)cc1F)CC1CC1 ZINC000437960841 206073775 /nfs/dbraw/zinc/07/37/75/206073775.db2.gz GMICGFBRMIWUPD-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN Cc1ccc(NCCC(C)(C)C)c(CN(C)C)c1 ZINC000438080590 201385130 /nfs/dbraw/zinc/38/51/30/201385130.db2.gz XSLMCDUYCKCZQL-UHFFFAOYSA-N 0 3 248.414 3.905 20 0 BHADHN CC(C)COc1ccccc1CN[C@@H]1CC[C@@H]1C ZINC000438081072 201386190 /nfs/dbraw/zinc/38/61/90/201386190.db2.gz PPRVBNOEZGREFY-DZGCQCFKSA-N 0 3 247.382 3.610 20 0 BHADHN CC(C)COc1ccccc1CN[C@H]1CC[C@H]1C ZINC000438081073 201386243 /nfs/dbraw/zinc/38/62/43/201386243.db2.gz PPRVBNOEZGREFY-HIFRSBDPSA-N 0 3 247.382 3.610 20 0 BHADHN CC(C)COc1ccccc1CN[C@@H]1CC[C@H]1C ZINC000438081074 201384890 /nfs/dbraw/zinc/38/48/90/201384890.db2.gz PPRVBNOEZGREFY-UKRRQHHQSA-N 0 3 247.382 3.610 20 0 BHADHN CC(C)COc1ccccc1CN[C@H]1CC[C@@H]1C ZINC000438081075 201386155 /nfs/dbraw/zinc/38/61/55/201386155.db2.gz PPRVBNOEZGREFY-ZFWWWQNUSA-N 0 3 247.382 3.610 20 0 BHADHN CC1(C)CCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438090302 386442954 /nfs/dbraw/zinc/44/29/54/386442954.db2.gz AAQFDPCOFYDRHR-UHFFFAOYSA-N 0 3 246.329 3.539 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1cc2c(cccc2F)[nH]1 ZINC000438094110 201387310 /nfs/dbraw/zinc/38/73/10/201387310.db2.gz DUWZCQXNJGEYTI-GHMZBOCLSA-N 0 3 246.329 3.680 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1cc2c(cccc2F)[nH]1 ZINC000438094112 201388983 /nfs/dbraw/zinc/38/89/83/201388983.db2.gz DUWZCQXNJGEYTI-PHIMTYICSA-N 0 3 246.329 3.680 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1cc2c(cccc2F)[nH]1 ZINC000438094114 201386962 /nfs/dbraw/zinc/38/69/62/201386962.db2.gz DUWZCQXNJGEYTI-QWRGUYRKSA-N 0 3 246.329 3.680 20 0 BHADHN CCN(Cc1ccc(Cl)cc1F)C1CCC1 ZINC000438103268 201390735 /nfs/dbraw/zinc/39/07/35/201390735.db2.gz TUPNALKLGRHPMU-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN C[C@@H]1CCN(Cc2cc3c(cccc3F)[nH]2)[C@@H]1C ZINC000438103942 201389635 /nfs/dbraw/zinc/38/96/35/201389635.db2.gz ZOQMBKXWESRKBO-GHMZBOCLSA-N 0 3 246.329 3.537 20 0 BHADHN C[C@@H]1CCN(Cc2cc3c(cccc3F)[nH]2)[C@H]1C ZINC000438103944 201389920 /nfs/dbraw/zinc/38/99/20/201389920.db2.gz ZOQMBKXWESRKBO-MNOVXSKESA-N 0 3 246.329 3.537 20 0 BHADHN C[C@H]1CCN(Cc2cc3c(cccc3F)[nH]2)[C@H]1C ZINC000438103946 201389930 /nfs/dbraw/zinc/38/99/30/201389930.db2.gz ZOQMBKXWESRKBO-QWRGUYRKSA-N 0 3 246.329 3.537 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1cc2c(cccc2F)[nH]1 ZINC000438103948 351725187 /nfs/dbraw/zinc/72/51/87/351725187.db2.gz ZOQMBKXWESRKBO-WDEREUQCSA-N 0 3 246.329 3.537 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438107502 201390888 /nfs/dbraw/zinc/39/08/88/201390888.db2.gz WTXWJVJALHOCLQ-GHMZBOCLSA-N 0 3 246.329 3.537 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438107504 386468631 /nfs/dbraw/zinc/46/86/31/386468631.db2.gz WTXWJVJALHOCLQ-MNOVXSKESA-N 0 3 246.329 3.537 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438107507 386467709 /nfs/dbraw/zinc/46/77/09/386467709.db2.gz WTXWJVJALHOCLQ-QWRGUYRKSA-N 0 3 246.329 3.537 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1cc2c(cccc2F)[nH]1 ZINC000438107510 386468560 /nfs/dbraw/zinc/46/85/60/386468560.db2.gz WTXWJVJALHOCLQ-WDEREUQCSA-N 0 3 246.329 3.537 20 0 BHADHN CC[C@@H]1CCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438110223 201389501 /nfs/dbraw/zinc/38/95/01/201389501.db2.gz SGYOWELDAFIXPU-LLVKDONJSA-N 0 3 246.329 3.539 20 0 BHADHN CC[C@H]1CCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438110224 201390132 /nfs/dbraw/zinc/39/01/32/201390132.db2.gz SGYOWELDAFIXPU-NSHDSACASA-N 0 3 246.329 3.539 20 0 BHADHN CN(CCC1CC1)Cc1cc2c(cccc2F)[nH]1 ZINC000438117646 201392537 /nfs/dbraw/zinc/39/25/37/201392537.db2.gz FPHZNUUXXKAXTF-UHFFFAOYSA-N 0 3 246.329 3.539 20 0 BHADHN Cc1ccc(CN2CCCC3(CCCC3)C2)o1 ZINC000438345272 387925147 /nfs/dbraw/zinc/92/51/47/387925147.db2.gz LVIPUMYQZDVEND-UHFFFAOYSA-N 0 3 233.355 3.744 20 0 BHADHN Cc1ccc(CN2CCCC3(CCCC3)C2)nc1 ZINC000438349025 387926969 /nfs/dbraw/zinc/92/69/69/387926969.db2.gz MIUPPZGSPOBJCP-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN Cc1ccc(CN2CCCC3(CCCC3)C2)cn1 ZINC000438365255 387928795 /nfs/dbraw/zinc/92/87/95/387928795.db2.gz AYWBJIDRCGNAQB-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN Cc1ccc(CN[C@H](CC(F)(F)F)C(C)C)o1 ZINC000438466124 387936820 /nfs/dbraw/zinc/93/68/20/387936820.db2.gz AQJGVNSIEGQPTH-LLVKDONJSA-N 0 3 249.276 3.655 20 0 BHADHN Cc1ccc(CN[C@@H](CC(F)(F)F)C(C)C)o1 ZINC000438466125 387937855 /nfs/dbraw/zinc/93/78/55/387937855.db2.gz AQJGVNSIEGQPTH-NSHDSACASA-N 0 3 249.276 3.655 20 0 BHADHN Cc1ccoc1CN[C@@H](CC(F)(F)F)C(C)C ZINC000438474518 201412209 /nfs/dbraw/zinc/41/22/09/201412209.db2.gz ICFPNGIVJJCEDE-JTQLQIEISA-N 0 3 249.276 3.655 20 0 BHADHN Cc1ccoc1CN[C@H](CC(F)(F)F)C(C)C ZINC000438474519 387937879 /nfs/dbraw/zinc/93/78/79/387937879.db2.gz ICFPNGIVJJCEDE-SNVBAGLBSA-N 0 3 249.276 3.655 20 0 BHADHN CC(C)[C@@H](CC(F)(F)F)NCc1ccccc1 ZINC000438476905 201411381 /nfs/dbraw/zinc/41/13/81/201411381.db2.gz JMPOWZLATLRIAV-GFCCVEGCSA-N 0 3 245.288 3.753 20 0 BHADHN CC(C)[C@H](CC(F)(F)F)NCc1ccccc1 ZINC000438476906 387937846 /nfs/dbraw/zinc/93/78/46/387937846.db2.gz JMPOWZLATLRIAV-LBPRGKRZSA-N 0 3 245.288 3.753 20 0 BHADHN CCC(C)(C)CCN(C)CCC(F)(F)F ZINC000438783289 387955813 /nfs/dbraw/zinc/95/58/13/387955813.db2.gz FNGCJXZEFZOWHH-UHFFFAOYSA-N 0 3 225.298 3.697 20 0 BHADHN CC1CN(Cc2cc(-c3ccccc3)cs2)C1 ZINC000438859140 387960818 /nfs/dbraw/zinc/96/08/18/387960818.db2.gz PYMBQDQVBGHTMY-UHFFFAOYSA-N 0 3 243.375 3.867 20 0 BHADHN CC1CN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000438860127 387956409 /nfs/dbraw/zinc/95/64/09/387956409.db2.gz RNAANHOQDBNSMS-UHFFFAOYSA-N 0 3 243.375 3.867 20 0 BHADHN CCN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439313355 201443937 /nfs/dbraw/zinc/44/39/37/201443937.db2.gz FFRKBRZVEMOFTR-UHFFFAOYSA-N 0 3 241.737 3.621 20 0 BHADHN Cc1ccccc1CCCN(C)Cc1ccoc1 ZINC000440321888 388039492 /nfs/dbraw/zinc/03/94/92/388039492.db2.gz BAOCNGOUKFHPSK-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN Cc1ccccc1CCCN(C)Cc1ccco1 ZINC000440328461 388038194 /nfs/dbraw/zinc/03/81/94/388038194.db2.gz SPSVYQDGHCBIOL-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN CC[C@H](F)CN1CC[C@@H](c2cccc(C)c2)C1 ZINC000440485932 206076996 /nfs/dbraw/zinc/07/69/96/206076996.db2.gz KSYQJGNZHTVHEG-CABCVRRESA-N 0 3 235.346 3.532 20 0 BHADHN CC[C@H](F)CN1CC[C@H](c2cccc(C)c2)C1 ZINC000440485933 206076643 /nfs/dbraw/zinc/07/66/43/206076643.db2.gz KSYQJGNZHTVHEG-GJZGRUSLSA-N 0 3 235.346 3.532 20 0 BHADHN CC[C@@H](F)CN1CC[C@@H](c2cccc(C)c2)C1 ZINC000440485934 206076382 /nfs/dbraw/zinc/07/63/82/206076382.db2.gz KSYQJGNZHTVHEG-HUUCEWRRSA-N 0 3 235.346 3.532 20 0 BHADHN CC[C@@H](F)CN1CC[C@H](c2cccc(C)c2)C1 ZINC000440485935 206078662 /nfs/dbraw/zinc/07/86/62/206078662.db2.gz KSYQJGNZHTVHEG-LSDHHAIUSA-N 0 3 235.346 3.532 20 0 BHADHN CC[C@@H](F)CN(C)CCc1ccc(Cl)cc1 ZINC000440487454 206077530 /nfs/dbraw/zinc/07/75/30/206077530.db2.gz BOXSOCUIKZBILS-CYBMUJFWSA-N 0 3 243.753 3.562 20 0 BHADHN CC[C@H](F)CN(C)CCc1ccc(Cl)cc1 ZINC000440487458 206076939 /nfs/dbraw/zinc/07/69/39/206076939.db2.gz BOXSOCUIKZBILS-ZDUSSCGKSA-N 0 3 243.753 3.562 20 0 BHADHN CC[C@H](F)CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000440500446 388045541 /nfs/dbraw/zinc/04/55/41/388045541.db2.gz BENDJYGZRBDMLM-ISEXYEMMSA-N 0 3 247.357 3.912 20 0 BHADHN CC[C@H](F)CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000440500447 388044238 /nfs/dbraw/zinc/04/42/38/388044238.db2.gz BENDJYGZRBDMLM-JVSIQZEQSA-N 0 3 247.357 3.912 20 0 BHADHN CC[C@H](F)CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000440500450 386741224 /nfs/dbraw/zinc/74/12/24/386741224.db2.gz BENDJYGZRBDMLM-PTVNLRSFSA-N 0 3 247.357 3.912 20 0 BHADHN CC[C@H](F)CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000440500454 386741114 /nfs/dbraw/zinc/74/11/14/386741114.db2.gz BENDJYGZRBDMLM-ZBYDSPNZSA-N 0 3 247.357 3.912 20 0 BHADHN CC[C@@H](F)CN(C)[C@@H](C)Cc1ccccc1C ZINC000440501881 388045333 /nfs/dbraw/zinc/04/53/33/388045333.db2.gz FFIOKJXRAVQVKD-DZGCQCFKSA-N 0 3 237.362 3.606 20 0 BHADHN CC[C@H](F)CN(C)[C@H](C)Cc1ccccc1C ZINC000440501882 388045275 /nfs/dbraw/zinc/04/52/75/388045275.db2.gz FFIOKJXRAVQVKD-HIFRSBDPSA-N 0 3 237.362 3.606 20 0 BHADHN CC[C@@H](F)CN(C)[C@H](C)Cc1ccccc1C ZINC000440501883 388044876 /nfs/dbraw/zinc/04/48/76/388044876.db2.gz FFIOKJXRAVQVKD-UKRRQHHQSA-N 0 3 237.362 3.606 20 0 BHADHN CC[C@H](F)CN(C)[C@@H](C)Cc1ccccc1C ZINC000440501884 388044661 /nfs/dbraw/zinc/04/46/61/388044661.db2.gz FFIOKJXRAVQVKD-ZFWWWQNUSA-N 0 3 237.362 3.606 20 0 BHADHN CCCN(CCc1cccs1)C[C@H](F)CC ZINC000440509160 388047950 /nfs/dbraw/zinc/04/79/50/388047950.db2.gz FLCMMXGENVSABB-GFCCVEGCSA-N 0 3 243.391 3.751 20 0 BHADHN CCCN(CCc1cccs1)C[C@@H](F)CC ZINC000440509164 201486061 /nfs/dbraw/zinc/48/60/61/201486061.db2.gz FLCMMXGENVSABB-LBPRGKRZSA-N 0 3 243.391 3.751 20 0 BHADHN CC[C@@H](F)CN(CC)Cc1c[nH]c2ccccc12 ZINC000440510523 386752085 /nfs/dbraw/zinc/75/20/85/386752085.db2.gz KJFCUTTVMHYTCP-CYBMUJFWSA-N 0 3 248.345 3.738 20 0 BHADHN CC[C@H](F)CN(CC)Cc1c[nH]c2ccccc12 ZINC000440510538 386752615 /nfs/dbraw/zinc/75/26/15/386752615.db2.gz KJFCUTTVMHYTCP-ZDUSSCGKSA-N 0 3 248.345 3.738 20 0 BHADHN CC[C@H](F)CN[C@@H](c1ccccc1C)C1CC1 ZINC000440513972 388049229 /nfs/dbraw/zinc/04/92/29/388049229.db2.gz KZGBFGYHXLCTLA-DZGCQCFKSA-N 0 3 235.346 3.784 20 0 BHADHN CC[C@@H](F)CN[C@H](c1ccccc1C)C1CC1 ZINC000440513973 388049776 /nfs/dbraw/zinc/04/97/76/388049776.db2.gz KZGBFGYHXLCTLA-HIFRSBDPSA-N 0 3 235.346 3.784 20 0 BHADHN CC[C@@H](F)CN[C@@H](c1ccccc1C)C1CC1 ZINC000440513975 388049634 /nfs/dbraw/zinc/04/96/34/388049634.db2.gz KZGBFGYHXLCTLA-UKRRQHHQSA-N 0 3 235.346 3.784 20 0 BHADHN CC[C@H](F)CN[C@H](c1ccccc1C)C1CC1 ZINC000440513977 388049588 /nfs/dbraw/zinc/04/95/88/388049588.db2.gz KZGBFGYHXLCTLA-ZFWWWQNUSA-N 0 3 235.346 3.784 20 0 BHADHN CC[C@@H](F)CN1CCCC[C@H]1c1ccccc1 ZINC000440519792 537950046 /nfs/dbraw/zinc/95/00/46/537950046.db2.gz USYDHAKLTUAZLJ-CABCVRRESA-N 0 3 235.346 3.962 20 0 BHADHN CC[C@H](F)CN1CCCC[C@H]1c1ccccc1 ZINC000440519793 537949608 /nfs/dbraw/zinc/94/96/08/537949608.db2.gz USYDHAKLTUAZLJ-GJZGRUSLSA-N 0 3 235.346 3.962 20 0 BHADHN CC[C@@H](F)CN1CCCC[C@@H]1c1ccccc1 ZINC000440519796 537949787 /nfs/dbraw/zinc/94/97/87/537949787.db2.gz USYDHAKLTUAZLJ-HUUCEWRRSA-N 0 3 235.346 3.962 20 0 BHADHN CC[C@H](F)CN1CCCC[C@@H]1c1ccccc1 ZINC000440519800 537950112 /nfs/dbraw/zinc/95/01/12/537950112.db2.gz USYDHAKLTUAZLJ-LSDHHAIUSA-N 0 3 235.346 3.962 20 0 BHADHN CC[C@H](F)CN(CC)[C@@H](C)Cc1ccsc1 ZINC000440525549 397929971 /nfs/dbraw/zinc/92/99/71/397929971.db2.gz INIUCGHFJLCWMG-AAEUAGOBSA-N 0 3 243.391 3.749 20 0 BHADHN CC[C@@H](F)CN(CC)[C@H](C)Cc1ccsc1 ZINC000440525551 397929459 /nfs/dbraw/zinc/92/94/59/397929459.db2.gz INIUCGHFJLCWMG-DGCLKSJQSA-N 0 3 243.391 3.749 20 0 BHADHN CC[C@@H](F)CN(CC)[C@@H](C)Cc1ccsc1 ZINC000440525553 397930015 /nfs/dbraw/zinc/93/00/15/397930015.db2.gz INIUCGHFJLCWMG-WCQYABFASA-N 0 3 243.391 3.749 20 0 BHADHN CC[C@H](F)CN(CC)[C@H](C)Cc1ccsc1 ZINC000440525554 397929987 /nfs/dbraw/zinc/92/99/87/397929987.db2.gz INIUCGHFJLCWMG-YPMHNXCESA-N 0 3 243.391 3.749 20 0 BHADHN CC[C@@H](F)CN1Cc2ccccc2C[C@@H]1CC ZINC000440531486 388052570 /nfs/dbraw/zinc/05/25/70/388052570.db2.gz JESKEPXZOOCLAT-CABCVRRESA-N 0 3 235.346 3.571 20 0 BHADHN CC[C@H](F)CN1Cc2ccccc2C[C@@H]1CC ZINC000440531487 388053508 /nfs/dbraw/zinc/05/35/08/388053508.db2.gz JESKEPXZOOCLAT-GJZGRUSLSA-N 0 3 235.346 3.571 20 0 BHADHN CC[C@@H](F)CN1Cc2ccccc2C[C@H]1CC ZINC000440531488 388053310 /nfs/dbraw/zinc/05/33/10/388053310.db2.gz JESKEPXZOOCLAT-HUUCEWRRSA-N 0 3 235.346 3.571 20 0 BHADHN CC[C@H](F)CN1Cc2ccccc2C[C@H]1CC ZINC000440531489 388052452 /nfs/dbraw/zinc/05/24/52/388052452.db2.gz JESKEPXZOOCLAT-LSDHHAIUSA-N 0 3 235.346 3.571 20 0 BHADHN CC[C@H](F)CN[C@]1(C)CCCc2ccccc21 ZINC000440539528 388053060 /nfs/dbraw/zinc/05/30/60/388053060.db2.gz ZYAKDZLUHDRXMP-DZGCQCFKSA-N 0 3 235.346 3.576 20 0 BHADHN CC[C@@H](F)CN[C@@]1(C)CCCc2ccccc21 ZINC000440539530 388052560 /nfs/dbraw/zinc/05/25/60/388052560.db2.gz ZYAKDZLUHDRXMP-HIFRSBDPSA-N 0 3 235.346 3.576 20 0 BHADHN CC[C@@H](F)CN[C@]1(C)CCCc2ccccc21 ZINC000440539533 388052852 /nfs/dbraw/zinc/05/28/52/388052852.db2.gz ZYAKDZLUHDRXMP-UKRRQHHQSA-N 0 3 235.346 3.576 20 0 BHADHN CC[C@H](F)CN[C@@]1(C)CCCc2ccccc21 ZINC000440539535 388052441 /nfs/dbraw/zinc/05/24/41/388052441.db2.gz ZYAKDZLUHDRXMP-ZFWWWQNUSA-N 0 3 235.346 3.576 20 0 BHADHN CC[C@@H](F)CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000440593556 388059278 /nfs/dbraw/zinc/05/92/78/388059278.db2.gz FXZSAUQVOZXHMV-GXTWGEPZSA-N 0 3 237.362 3.690 20 0 BHADHN CC[C@H](F)CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000440593557 388059548 /nfs/dbraw/zinc/05/95/48/388059548.db2.gz FXZSAUQVOZXHMV-JSGCOSHPSA-N 0 3 237.362 3.690 20 0 BHADHN CC[C@H](F)CN[C@H](C)C(C)(C)c1ccccc1 ZINC000440593558 388059807 /nfs/dbraw/zinc/05/98/07/388059807.db2.gz FXZSAUQVOZXHMV-OCCSQVGLSA-N 0 3 237.362 3.690 20 0 BHADHN CC[C@@H](F)CN[C@H](C)C(C)(C)c1ccccc1 ZINC000440593559 388059613 /nfs/dbraw/zinc/05/96/13/388059613.db2.gz FXZSAUQVOZXHMV-TZMCWYRMSA-N 0 3 237.362 3.690 20 0 BHADHN CC[C@H](F)CNC1(c2ccccc2)CCCC1 ZINC000440597357 388060394 /nfs/dbraw/zinc/06/03/94/388060394.db2.gz LTHAHKBLHWOLMX-AWEZNQCLSA-N 0 3 235.346 3.794 20 0 BHADHN CC[C@@H](F)CNC1(c2ccccc2)CCCC1 ZINC000440597358 388060302 /nfs/dbraw/zinc/06/03/02/388060302.db2.gz LTHAHKBLHWOLMX-CQSZACIVSA-N 0 3 235.346 3.794 20 0 BHADHN Cc1cccc(CN(C)CCCC2CCCC2)n1 ZINC000440656768 386052177 /nfs/dbraw/zinc/05/21/77/386052177.db2.gz DEDHLQKKYUMUNL-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CC[C@H](F)CN1CCC[C@@H]1c1ccccc1C ZINC000440689446 388067841 /nfs/dbraw/zinc/06/78/41/388067841.db2.gz BXEUSPAEEGCDBE-DZGCQCFKSA-N 0 3 235.346 3.880 20 0 BHADHN CC[C@@H](F)CN1CCC[C@H]1c1ccccc1C ZINC000440689447 388067448 /nfs/dbraw/zinc/06/74/48/388067448.db2.gz BXEUSPAEEGCDBE-HIFRSBDPSA-N 0 3 235.346 3.880 20 0 BHADHN CC[C@@H](F)CN1CCC[C@@H]1c1ccccc1C ZINC000440689448 388067043 /nfs/dbraw/zinc/06/70/43/388067043.db2.gz BXEUSPAEEGCDBE-UKRRQHHQSA-N 0 3 235.346 3.880 20 0 BHADHN CC[C@H](F)CN1CCC[C@H]1c1ccccc1C ZINC000440689449 388066405 /nfs/dbraw/zinc/06/64/05/388066405.db2.gz BXEUSPAEEGCDBE-ZFWWWQNUSA-N 0 3 235.346 3.880 20 0 BHADHN CCCN(Cc1ccccc1)C[C@@H](F)CC ZINC000440691592 388066266 /nfs/dbraw/zinc/06/62/66/388066266.db2.gz IXTPOUGFHYELTO-AWEZNQCLSA-N 0 3 223.335 3.647 20 0 BHADHN CCCN(Cc1ccccc1)C[C@H](F)CC ZINC000440691593 388067153 /nfs/dbraw/zinc/06/71/53/388067153.db2.gz IXTPOUGFHYELTO-CQSZACIVSA-N 0 3 223.335 3.647 20 0 BHADHN CC[C@@H](F)CN1CCC[C@H]1c1cccc(C)c1 ZINC000440695627 388069770 /nfs/dbraw/zinc/06/97/70/388069770.db2.gz QZTUXOUQBYMQMB-CABCVRRESA-N 0 3 235.346 3.880 20 0 BHADHN CC[C@H](F)CN1CCC[C@H]1c1cccc(C)c1 ZINC000440695629 388069173 /nfs/dbraw/zinc/06/91/73/388069173.db2.gz QZTUXOUQBYMQMB-GJZGRUSLSA-N 0 3 235.346 3.880 20 0 BHADHN CC[C@@H](F)CN1CCC[C@@H]1c1cccc(C)c1 ZINC000440695631 388069457 /nfs/dbraw/zinc/06/94/57/388069457.db2.gz QZTUXOUQBYMQMB-HUUCEWRRSA-N 0 3 235.346 3.880 20 0 BHADHN CC[C@H](F)CN1CCC[C@@H]1c1cccc(C)c1 ZINC000440695632 388069726 /nfs/dbraw/zinc/06/97/26/388069726.db2.gz QZTUXOUQBYMQMB-LSDHHAIUSA-N 0 3 235.346 3.880 20 0 BHADHN CC[C@@H](F)CN1CCC[C@H]1c1ccc(C)s1 ZINC000440696328 388069746 /nfs/dbraw/zinc/06/97/46/388069746.db2.gz XAAJJUMMSYSDRU-NEPJUHHUSA-N 0 3 241.375 3.942 20 0 BHADHN CC[C@H](F)CN1CCC[C@@H]1c1ccc(C)s1 ZINC000440696329 388069715 /nfs/dbraw/zinc/06/97/15/388069715.db2.gz XAAJJUMMSYSDRU-NWDGAFQWSA-N 0 3 241.375 3.942 20 0 BHADHN CC[C@H](F)CN1CCC[C@H]1c1ccc(C)s1 ZINC000440696330 388069001 /nfs/dbraw/zinc/06/90/01/388069001.db2.gz XAAJJUMMSYSDRU-RYUDHWBXSA-N 0 3 241.375 3.942 20 0 BHADHN CC[C@@H](F)CN1CCC[C@@H]1c1ccc(C)s1 ZINC000440696331 388069470 /nfs/dbraw/zinc/06/94/70/388069470.db2.gz XAAJJUMMSYSDRU-VXGBXAGGSA-N 0 3 241.375 3.942 20 0 BHADHN CC[C@@H](F)CN(Cc1ccc(F)cc1)C(C)C ZINC000440700478 388069208 /nfs/dbraw/zinc/06/92/08/388069208.db2.gz GAMAMYASBBVPFX-CYBMUJFWSA-N 0 3 241.325 3.784 20 0 BHADHN CC[C@H](F)CN(Cc1ccc(F)cc1)C(C)C ZINC000440700481 388069850 /nfs/dbraw/zinc/06/98/50/388069850.db2.gz GAMAMYASBBVPFX-ZDUSSCGKSA-N 0 3 241.325 3.784 20 0 BHADHN CC[C@H](F)CN1CCC[C@H]1c1ccccc1 ZINC000440701804 206080440 /nfs/dbraw/zinc/08/04/40/206080440.db2.gz BPADZELZEXICNF-KBPBESRZSA-N 0 3 221.319 3.572 20 0 BHADHN CC[C@@H](F)CN1CCC[C@H]1c1ccccc1 ZINC000440701807 206080046 /nfs/dbraw/zinc/08/00/46/206080046.db2.gz BPADZELZEXICNF-KGLIPLIRSA-N 0 3 221.319 3.572 20 0 BHADHN CC[C@H](F)CN1CCC[C@@H]1c1ccccc1 ZINC000440701810 206080397 /nfs/dbraw/zinc/08/03/97/206080397.db2.gz BPADZELZEXICNF-UONOGXRCSA-N 0 3 221.319 3.572 20 0 BHADHN CC[C@@H](F)CN1CCC[C@@H]1c1ccccc1 ZINC000440701812 206079948 /nfs/dbraw/zinc/07/99/48/206079948.db2.gz BPADZELZEXICNF-ZIAGYGMSSA-N 0 3 221.319 3.572 20 0 BHADHN CC[C@H](F)CN1CCC(c2ccccc2)CC1 ZINC000440702535 388071234 /nfs/dbraw/zinc/07/12/34/388071234.db2.gz OPUXLORSEKIQJY-HNNXBMFYSA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@@H](F)CN1CCC(c2ccccc2)CC1 ZINC000440702536 388070829 /nfs/dbraw/zinc/07/08/29/388070829.db2.gz OPUXLORSEKIQJY-OAHLLOKOSA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@@H](F)CN1CCC[C@@H]1c1cccs1 ZINC000440702538 388070182 /nfs/dbraw/zinc/07/01/82/388070182.db2.gz ORXJLDAXRYTDNV-GHMZBOCLSA-N 0 3 227.348 3.633 20 0 BHADHN CC[C@@H](F)CN1CCC[C@H]1c1cccs1 ZINC000440702539 388071002 /nfs/dbraw/zinc/07/10/02/388071002.db2.gz ORXJLDAXRYTDNV-MNOVXSKESA-N 0 3 227.348 3.633 20 0 BHADHN CC[C@H](F)CN1CCC[C@H]1c1cccs1 ZINC000440702540 388070554 /nfs/dbraw/zinc/07/05/54/388070554.db2.gz ORXJLDAXRYTDNV-QWRGUYRKSA-N 0 3 227.348 3.633 20 0 BHADHN CC[C@H](F)CN1CCC[C@@H]1c1cccs1 ZINC000440702541 388071204 /nfs/dbraw/zinc/07/12/04/388071204.db2.gz ORXJLDAXRYTDNV-WDEREUQCSA-N 0 3 227.348 3.633 20 0 BHADHN CC[C@@H](F)CN(C)[C@H](C)c1ccccc1C ZINC000440702574 388071736 /nfs/dbraw/zinc/07/17/36/388071736.db2.gz OZYJHRGMUSZJHK-CHWSQXEVSA-N 0 3 223.335 3.736 20 0 BHADHN CC[C@H](F)CN(C)[C@H](C)c1ccccc1C ZINC000440702575 388070336 /nfs/dbraw/zinc/07/03/36/388070336.db2.gz OZYJHRGMUSZJHK-OLZOCXBDSA-N 0 3 223.335 3.736 20 0 BHADHN CC[C@@H](F)CN(C)[C@@H](C)c1ccccc1C ZINC000440702576 388071406 /nfs/dbraw/zinc/07/14/06/388071406.db2.gz OZYJHRGMUSZJHK-QWHCGFSZSA-N 0 3 223.335 3.736 20 0 BHADHN CC[C@H](F)CN(C)[C@@H](C)c1ccccc1C ZINC000440702577 388071274 /nfs/dbraw/zinc/07/12/74/388071274.db2.gz OZYJHRGMUSZJHK-STQMWFEESA-N 0 3 223.335 3.736 20 0 BHADHN CC[C@H](F)CN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000440704435 388071668 /nfs/dbraw/zinc/07/16/68/388071668.db2.gz VZCXPDFJFOSJBC-AAEUAGOBSA-N 0 3 241.325 3.957 20 0 BHADHN CC[C@@H](F)CN(CC)[C@H](C)c1ccc(F)cc1 ZINC000440704436 388071111 /nfs/dbraw/zinc/07/11/11/388071111.db2.gz VZCXPDFJFOSJBC-DGCLKSJQSA-N 0 3 241.325 3.957 20 0 BHADHN CC[C@@H](F)CN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000440704437 388071164 /nfs/dbraw/zinc/07/11/64/388071164.db2.gz VZCXPDFJFOSJBC-WCQYABFASA-N 0 3 241.325 3.957 20 0 BHADHN CC[C@H](F)CN(CC)[C@H](C)c1ccc(F)cc1 ZINC000440704440 388071575 /nfs/dbraw/zinc/07/15/75/388071575.db2.gz VZCXPDFJFOSJBC-YPMHNXCESA-N 0 3 241.325 3.957 20 0 BHADHN CC[C@H](F)CN(CC)Cc1ccccc1C ZINC000440705927 387675554 /nfs/dbraw/zinc/67/55/54/387675554.db2.gz QJNGWMCQIMABTB-AWEZNQCLSA-N 0 3 223.335 3.565 20 0 BHADHN CC[C@@H](F)CN(CC)Cc1ccccc1C ZINC000440705928 387675952 /nfs/dbraw/zinc/67/59/52/387675952.db2.gz QJNGWMCQIMABTB-CQSZACIVSA-N 0 3 223.335 3.565 20 0 BHADHN CC[C@H](F)CN1CC[C@H](c2ccccc2C)C1 ZINC000440706854 387674456 /nfs/dbraw/zinc/67/44/56/387674456.db2.gz STFOWISGMXHIEG-KBPBESRZSA-N 0 3 235.346 3.532 20 0 BHADHN CC[C@H](F)CN1CC[C@@H](c2ccccc2C)C1 ZINC000440706856 387674689 /nfs/dbraw/zinc/67/46/89/387674689.db2.gz STFOWISGMXHIEG-KGLIPLIRSA-N 0 3 235.346 3.532 20 0 BHADHN CC[C@@H](F)CN1CC[C@H](c2ccccc2C)C1 ZINC000440706857 387674249 /nfs/dbraw/zinc/67/42/49/387674249.db2.gz STFOWISGMXHIEG-UONOGXRCSA-N 0 3 235.346 3.532 20 0 BHADHN CC[C@@H](F)CN1CC[C@@H](c2ccccc2C)C1 ZINC000440706859 201509470 /nfs/dbraw/zinc/50/94/70/201509470.db2.gz STFOWISGMXHIEG-ZIAGYGMSSA-N 0 3 235.346 3.532 20 0 BHADHN CC[C@H](F)CN(Cc1ccccc1)C(C)C ZINC000440706939 387673901 /nfs/dbraw/zinc/67/39/01/387673901.db2.gz WAVNEDMDVXWSGM-AWEZNQCLSA-N 0 3 223.335 3.645 20 0 BHADHN CC[C@@H](F)CN(Cc1ccccc1)C(C)C ZINC000440706940 387674026 /nfs/dbraw/zinc/67/40/26/387674026.db2.gz WAVNEDMDVXWSGM-CQSZACIVSA-N 0 3 223.335 3.645 20 0 BHADHN CC[C@@H](F)CN1CCC[C@H]1c1ccc(C)cc1 ZINC000440709077 387676801 /nfs/dbraw/zinc/67/68/01/387676801.db2.gz HTBFVSTZLKRXGZ-CABCVRRESA-N 0 3 235.346 3.880 20 0 BHADHN CC[C@H](F)CN1CCC[C@H]1c1ccc(C)cc1 ZINC000440709079 387677816 /nfs/dbraw/zinc/67/78/16/387677816.db2.gz HTBFVSTZLKRXGZ-GJZGRUSLSA-N 0 3 235.346 3.880 20 0 BHADHN CC[C@@H](F)CN1CCC[C@@H]1c1ccc(C)cc1 ZINC000440709082 388067436 /nfs/dbraw/zinc/06/74/36/388067436.db2.gz HTBFVSTZLKRXGZ-HUUCEWRRSA-N 0 3 235.346 3.880 20 0 BHADHN CC[C@H](F)CN1CCC[C@@H]1c1ccc(C)cc1 ZINC000440709084 388066477 /nfs/dbraw/zinc/06/64/77/388066477.db2.gz HTBFVSTZLKRXGZ-LSDHHAIUSA-N 0 3 235.346 3.880 20 0 BHADHN CC[C@@H](F)CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000440709415 387678209 /nfs/dbraw/zinc/67/82/09/387678209.db2.gz IUVUJJFMMQTCPQ-GXTWGEPZSA-N 0 3 223.335 3.736 20 0 BHADHN CC[C@H](F)CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000440709417 387677773 /nfs/dbraw/zinc/67/77/73/387677773.db2.gz IUVUJJFMMQTCPQ-JSGCOSHPSA-N 0 3 223.335 3.736 20 0 BHADHN CC[C@H](F)CN(C)[C@H](C)c1ccc(C)cc1 ZINC000440709418 388065157 /nfs/dbraw/zinc/06/51/57/388065157.db2.gz IUVUJJFMMQTCPQ-OCCSQVGLSA-N 0 3 223.335 3.736 20 0 BHADHN CC[C@@H](F)CN(C)[C@H](C)c1ccc(C)cc1 ZINC000440709420 388065075 /nfs/dbraw/zinc/06/50/75/388065075.db2.gz IUVUJJFMMQTCPQ-TZMCWYRMSA-N 0 3 223.335 3.736 20 0 BHADHN CCCN(Cc1ccc(F)cc1)C[C@H](F)CC ZINC000440709929 387676688 /nfs/dbraw/zinc/67/66/88/387676688.db2.gz DXYSFDGIZLGJBL-CYBMUJFWSA-N 0 3 241.325 3.786 20 0 BHADHN CCCN(Cc1ccc(F)cc1)C[C@@H](F)CC ZINC000440709930 387676892 /nfs/dbraw/zinc/67/68/92/387676892.db2.gz DXYSFDGIZLGJBL-ZDUSSCGKSA-N 0 3 241.325 3.786 20 0 BHADHN CC[C@H](F)CN(C)CCCCc1ccccc1 ZINC000440715281 387681062 /nfs/dbraw/zinc/68/10/62/387681062.db2.gz WMOSYCGZVPSTHJ-HNNXBMFYSA-N 0 3 237.362 3.689 20 0 BHADHN CC[C@@H](F)CN(C)CCCCc1ccccc1 ZINC000440715282 387681218 /nfs/dbraw/zinc/68/12/18/387681218.db2.gz WMOSYCGZVPSTHJ-OAHLLOKOSA-N 0 3 237.362 3.689 20 0 BHADHN CC[C@H](F)CN1C[C@H](c2ccccc2)C[C@@H]1C ZINC000440716539 387681983 /nfs/dbraw/zinc/68/19/83/387681983.db2.gz VSORAVILRJGLQG-CFVMTHIKSA-N 0 3 235.346 3.613 20 0 BHADHN CC[C@H](F)CN1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000440716540 387681846 /nfs/dbraw/zinc/68/18/46/387681846.db2.gz VSORAVILRJGLQG-QEJZJMRPSA-N 0 3 235.346 3.613 20 0 BHADHN CC[C@H](F)CN1C[C@@H](c2ccccc2)C[C@H]1C ZINC000440716541 387682120 /nfs/dbraw/zinc/68/21/20/387682120.db2.gz VSORAVILRJGLQG-SNPRPXQTSA-N 0 3 235.346 3.613 20 0 BHADHN CC[C@H](F)CN1C[C@H](c2ccccc2)C[C@H]1C ZINC000440716542 387681330 /nfs/dbraw/zinc/68/13/30/387681330.db2.gz VSORAVILRJGLQG-YUELXQCFSA-N 0 3 235.346 3.613 20 0 BHADHN CC[C@H](F)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000440719091 387682045 /nfs/dbraw/zinc/68/20/45/387682045.db2.gz ZHUYRUBMVASIPD-KBPBESRZSA-N 0 3 225.351 3.557 20 0 BHADHN CC[C@@H](F)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000440719096 387679922 /nfs/dbraw/zinc/67/99/22/387679922.db2.gz ZHUYRUBMVASIPD-KGLIPLIRSA-N 0 3 225.351 3.557 20 0 BHADHN CC[C@H](F)CN1CCC[C@]2(CC=CCC2)C1 ZINC000440719099 387680937 /nfs/dbraw/zinc/68/09/37/387680937.db2.gz ZHUYRUBMVASIPD-UONOGXRCSA-N 0 3 225.351 3.557 20 0 BHADHN CC[C@@H](F)CN1CCC[C@]2(CC=CCC2)C1 ZINC000440719102 387680612 /nfs/dbraw/zinc/68/06/12/387680612.db2.gz ZHUYRUBMVASIPD-ZIAGYGMSSA-N 0 3 225.351 3.557 20 0 BHADHN CC[C@@H](F)CN[C@@H](c1ccccc1)C1CCC1 ZINC000440777227 387692719 /nfs/dbraw/zinc/69/27/19/387692719.db2.gz XYLQPGVGEZEEFQ-CABCVRRESA-N 0 3 235.346 3.866 20 0 BHADHN CC[C@H](F)CN[C@@H](c1ccccc1)C1CCC1 ZINC000440777228 387693173 /nfs/dbraw/zinc/69/31/73/387693173.db2.gz XYLQPGVGEZEEFQ-GJZGRUSLSA-N 0 3 235.346 3.866 20 0 BHADHN CC[C@@H](F)CN[C@H](c1ccccc1)C1CCC1 ZINC000440777229 387693401 /nfs/dbraw/zinc/69/34/01/387693401.db2.gz XYLQPGVGEZEEFQ-HUUCEWRRSA-N 0 3 235.346 3.866 20 0 BHADHN CC[C@H](F)CN[C@H](c1ccccc1)C1CCC1 ZINC000440777230 387693373 /nfs/dbraw/zinc/69/33/73/387693373.db2.gz XYLQPGVGEZEEFQ-LSDHHAIUSA-N 0 3 235.346 3.866 20 0 BHADHN CC[C@H](F)CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000440778194 387692658 /nfs/dbraw/zinc/69/26/58/387692658.db2.gz AQFZUEQKXJOKEV-BBRMVZONSA-N 0 3 247.357 3.886 20 0 BHADHN CC[C@@H](F)CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000440778195 201516842 /nfs/dbraw/zinc/51/68/42/201516842.db2.gz AQFZUEQKXJOKEV-CJNGLKHVSA-N 0 3 247.357 3.886 20 0 BHADHN CC[C@@H](F)CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000440778196 387693591 /nfs/dbraw/zinc/69/35/91/387693591.db2.gz AQFZUEQKXJOKEV-CZUORRHYSA-N 0 3 247.357 3.886 20 0 BHADHN CC[C@H](F)CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000440778197 387694319 /nfs/dbraw/zinc/69/43/19/387694319.db2.gz AQFZUEQKXJOKEV-XJKSGUPXSA-N 0 3 247.357 3.886 20 0 BHADHN CC[C@@H](F)CN(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000440780034 387696642 /nfs/dbraw/zinc/69/66/42/387696642.db2.gz OYOBKYKIGQDLKG-DZGCQCFKSA-N 0 3 237.362 3.606 20 0 BHADHN CC[C@H](F)CN(C)[C@H](C)Cc1ccc(C)cc1 ZINC000440780036 387696782 /nfs/dbraw/zinc/69/67/82/387696782.db2.gz OYOBKYKIGQDLKG-HIFRSBDPSA-N 0 3 237.362 3.606 20 0 BHADHN CC[C@@H](F)CN(C)[C@H](C)Cc1ccc(C)cc1 ZINC000440780037 387697474 /nfs/dbraw/zinc/69/74/74/387697474.db2.gz OYOBKYKIGQDLKG-UKRRQHHQSA-N 0 3 237.362 3.606 20 0 BHADHN CC[C@H](F)CN(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000440780039 387695382 /nfs/dbraw/zinc/69/53/82/387695382.db2.gz OYOBKYKIGQDLKG-ZFWWWQNUSA-N 0 3 237.362 3.606 20 0 BHADHN CC[C@H](F)CN1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000440782198 386157566 /nfs/dbraw/zinc/15/75/66/386157566.db2.gz NHVPIQKYJDZILK-AEGPPILISA-N 0 3 235.346 3.613 20 0 BHADHN CC[C@H](F)CN1CC[C@H](c2ccccc2)[C@@H]1C ZINC000440782199 386156180 /nfs/dbraw/zinc/15/61/80/386156180.db2.gz NHVPIQKYJDZILK-QEJZJMRPSA-N 0 3 235.346 3.613 20 0 BHADHN CC[C@H](F)CN1CC[C@H](c2ccccc2)[C@H]1C ZINC000440782202 386156661 /nfs/dbraw/zinc/15/66/61/386156661.db2.gz NHVPIQKYJDZILK-SNPRPXQTSA-N 0 3 235.346 3.613 20 0 BHADHN CC[C@H](F)CN1CC[C@@H](c2ccccc2)[C@H]1C ZINC000440782205 386157271 /nfs/dbraw/zinc/15/72/71/386157271.db2.gz NHVPIQKYJDZILK-VHDGCEQUSA-N 0 3 235.346 3.613 20 0 BHADHN CC[C@@H](F)CN(C)[C@@H](CC)Cc1ccccc1 ZINC000440785930 387697009 /nfs/dbraw/zinc/69/70/09/387697009.db2.gz RJVIBNMTVWLUCR-CABCVRRESA-N 0 3 237.362 3.688 20 0 BHADHN CC[C@H](F)CN(C)[C@@H](CC)Cc1ccccc1 ZINC000440785932 387697531 /nfs/dbraw/zinc/69/75/31/387697531.db2.gz RJVIBNMTVWLUCR-GJZGRUSLSA-N 0 3 237.362 3.688 20 0 BHADHN CC[C@@H](F)CN(C)[C@H](CC)Cc1ccccc1 ZINC000440785933 387695658 /nfs/dbraw/zinc/69/56/58/387695658.db2.gz RJVIBNMTVWLUCR-HUUCEWRRSA-N 0 3 237.362 3.688 20 0 BHADHN CC[C@H](Cc1ccccc1)N(C)C[C@@H](F)CC ZINC000440785935 387696587 /nfs/dbraw/zinc/69/65/87/387696587.db2.gz RJVIBNMTVWLUCR-LSDHHAIUSA-N 0 3 237.362 3.688 20 0 BHADHN CC[C@@H](F)CN1CCCCC[C@@H]1c1ccco1 ZINC000440798957 387705078 /nfs/dbraw/zinc/70/50/78/387705078.db2.gz RKLWTUBQYSPMAA-CHWSQXEVSA-N 0 3 239.334 3.945 20 0 BHADHN CC[C@@H](F)CN1CCCCC[C@H]1c1ccco1 ZINC000440798960 387705738 /nfs/dbraw/zinc/70/57/38/387705738.db2.gz RKLWTUBQYSPMAA-OLZOCXBDSA-N 0 3 239.334 3.945 20 0 BHADHN CC[C@H](F)CN1CCCCC[C@@H]1c1ccco1 ZINC000440798962 201523660 /nfs/dbraw/zinc/52/36/60/201523660.db2.gz RKLWTUBQYSPMAA-QWHCGFSZSA-N 0 3 239.334 3.945 20 0 BHADHN CC[C@H](F)CN1CCCCC[C@H]1c1ccco1 ZINC000440798964 387705703 /nfs/dbraw/zinc/70/57/03/387705703.db2.gz RKLWTUBQYSPMAA-STQMWFEESA-N 0 3 239.334 3.945 20 0 BHADHN CCC(C)(C)CCN(C)Cc1ccccc1OC ZINC000441183196 387735104 /nfs/dbraw/zinc/73/51/04/387735104.db2.gz WCSDUOPGSUMARN-UHFFFAOYSA-N 0 3 249.398 3.953 20 0 BHADHN CCN(Cc1ccccc1Cl)CC1CCC1 ZINC000441187223 387736107 /nfs/dbraw/zinc/73/61/07/387736107.db2.gz ZMWDNKRJVKKZJI-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN CCN(CCC1CC1)Cc1ccccc1Cl ZINC000441193169 387735034 /nfs/dbraw/zinc/73/50/34/387735034.db2.gz YXNBCVKHYBIGCS-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN CCC(C)(C)CCN(C)Cc1ccc(C)o1 ZINC000441202027 387734951 /nfs/dbraw/zinc/73/49/51/387734951.db2.gz QZVAKZSJGOVNRK-UHFFFAOYSA-N 0 3 223.360 3.846 20 0 BHADHN CCC(C)(C)CCN(C)Cc1ccoc1C ZINC000441216200 386436211 /nfs/dbraw/zinc/43/62/11/386436211.db2.gz CPYSEDBOVLQJFY-UHFFFAOYSA-N 0 3 223.360 3.846 20 0 BHADHN CCC(C)(C)CCN(C)Cc1ccoc1 ZINC000441228768 387737564 /nfs/dbraw/zinc/73/75/64/387737564.db2.gz JORZEMYAOVTGSH-UHFFFAOYSA-N 0 3 209.333 3.538 20 0 BHADHN CCC(C)(C)CCN(C)Cc1ccco1 ZINC000441241530 387741757 /nfs/dbraw/zinc/74/17/57/387741757.db2.gz DIFGPNGQGDOZQZ-UHFFFAOYSA-N 0 3 209.333 3.538 20 0 BHADHN CCC(C)(C)CCN(C)Cc1cnc(C)s1 ZINC000441241971 387740616 /nfs/dbraw/zinc/74/06/16/387740616.db2.gz ZIPVFQDKNNFYOY-UHFFFAOYSA-N 0 3 240.416 3.710 20 0 BHADHN Fc1ccccc1CN(CC1CCC1)C1CC1 ZINC000441254551 386447289 /nfs/dbraw/zinc/44/72/89/386447289.db2.gz MSBFAWBNWQHZRH-UHFFFAOYSA-N 0 3 233.330 3.590 20 0 BHADHN CCC(C)(C)CCN(C)Cc1scnc1C ZINC000441323701 386466202 /nfs/dbraw/zinc/46/62/02/386466202.db2.gz LGSCBSKBEAAQLQ-UHFFFAOYSA-N 0 3 240.416 3.710 20 0 BHADHN CC(C)COc1ccccc1CN(C)C1CCC1 ZINC000441373456 387752996 /nfs/dbraw/zinc/75/29/96/387752996.db2.gz RZRFDKBSNYMDSN-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN COc1cccc(CN2CCC(C(C)C)CC2)c1 ZINC000441430678 387759146 /nfs/dbraw/zinc/75/91/46/387759146.db2.gz BLGPOIXSRZGEIJ-UHFFFAOYSA-N 0 3 247.382 3.563 20 0 BHADHN CC(C)C1CCN(Cc2ccccc2F)CC1 ZINC000441432816 387760601 /nfs/dbraw/zinc/76/06/01/387760601.db2.gz HDLGPAKBEAJCCA-UHFFFAOYSA-N 0 3 235.346 3.694 20 0 BHADHN CC(C)C1CCN(Cc2cccc(F)c2)CC1 ZINC000441439152 387760041 /nfs/dbraw/zinc/76/00/41/387760041.db2.gz NTFUETILJWTDAG-UHFFFAOYSA-N 0 3 235.346 3.694 20 0 BHADHN CC(C)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000441450590 387760857 /nfs/dbraw/zinc/76/08/57/387760857.db2.gz TUSHXBPMGDHCJG-UHFFFAOYSA-N 0 3 235.346 3.694 20 0 BHADHN C[C@@H](NC1CCC(C(F)F)CC1)c1ccco1 ZINC000442640001 387810783 /nfs/dbraw/zinc/81/07/83/387810783.db2.gz ZDCKUVIYSVECKG-KPPDAEKUSA-N 0 3 243.297 3.754 20 0 BHADHN C[C@H](NC1CCC(C(F)F)CC1)c1ccco1 ZINC000442640002 387809379 /nfs/dbraw/zinc/80/93/79/387809379.db2.gz ZDCKUVIYSVECKG-WHXUTIOJSA-N 0 3 243.297 3.754 20 0 BHADHN Cc1cncc(CN2CCC3(CCCC3)CC2)c1 ZINC000442670845 387818573 /nfs/dbraw/zinc/81/85/73/387818573.db2.gz JRODRPMINNFCEU-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN Cc1cncc(CN2CCC[C@@H](CC(C)C)C2)c1 ZINC000442672317 386437713 /nfs/dbraw/zinc/43/77/13/386437713.db2.gz NOOFUOJIFIOZQP-HNNXBMFYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1cncc(CN2CCC[C@H](CC(C)C)C2)c1 ZINC000442672319 386436860 /nfs/dbraw/zinc/43/68/60/386436860.db2.gz NOOFUOJIFIOZQP-OAHLLOKOSA-N 0 3 246.398 3.648 20 0 BHADHN CCC[C@@]1(C)CCCN(Cc2cncc(C)c2)C1 ZINC000442676514 387821546 /nfs/dbraw/zinc/82/15/46/387821546.db2.gz LIEXGPRHEJRCOH-INIZCTEOSA-N 0 3 246.398 3.792 20 0 BHADHN CCC[C@]1(C)CCCN(Cc2cncc(C)c2)C1 ZINC000442676515 387821841 /nfs/dbraw/zinc/82/18/41/387821841.db2.gz LIEXGPRHEJRCOH-MRXNPFEDSA-N 0 3 246.398 3.792 20 0 BHADHN Cc1cncc(CN2CC=C(C(C)(C)C)CC2)c1 ZINC000442683733 387824105 /nfs/dbraw/zinc/82/41/05/387824105.db2.gz SROZVUOIUUZHMV-UHFFFAOYSA-N 0 3 244.382 3.568 20 0 BHADHN Cc1cncc(CN(C)CCC2CCCCC2)c1 ZINC000442688387 387823144 /nfs/dbraw/zinc/82/31/44/387823144.db2.gz PDSDZSCMOFTMIB-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN Cc1cncc(CN2CCC(C)(C(C)C)CC2)c1 ZINC000442876090 387854587 /nfs/dbraw/zinc/85/45/87/387854587.db2.gz QJLPMPJKJFCXKD-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN C[C@H](c1ccccc1)N1CC(C)(C)OC(C)(C)C1 ZINC000442879124 387854740 /nfs/dbraw/zinc/85/47/40/387854740.db2.gz VTJKGFFJILWYCS-CYBMUJFWSA-N 0 3 247.382 3.637 20 0 BHADHN C[C@@H](c1ccccc1)N1CC(C)(C)OC(C)(C)C1 ZINC000442879125 387856073 /nfs/dbraw/zinc/85/60/73/387856073.db2.gz VTJKGFFJILWYCS-ZDUSSCGKSA-N 0 3 247.382 3.637 20 0 BHADHN Cc1cncc(CN2CCCC3(CCCC3)C2)c1 ZINC000442889710 193000475 /nfs/dbraw/zinc/00/04/75/193000475.db2.gz IDAIEOMFFOVTDM-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN CCC1(CC)CCN(Cc2cncc(C)c2)CC1 ZINC000442889907 193000311 /nfs/dbraw/zinc/00/03/11/193000311.db2.gz IXRZBWCMUVDVJA-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CC[C@H](c1ccccc1)N1CCO[C@@](C)(CC)C1 ZINC000442892210 193001331 /nfs/dbraw/zinc/00/13/31/193001331.db2.gz UTASWJIVBACFIC-CVEARBPZSA-N 0 3 247.382 3.639 20 0 BHADHN CC[C@@H](c1ccccc1)N1CCO[C@@](C)(CC)C1 ZINC000442892212 193001340 /nfs/dbraw/zinc/00/13/40/193001340.db2.gz UTASWJIVBACFIC-HOTGVXAUSA-N 0 3 247.382 3.639 20 0 BHADHN CC[C@H](c1ccccc1)N1CCO[C@](C)(CC)C1 ZINC000442892214 193000541 /nfs/dbraw/zinc/00/05/41/193000541.db2.gz UTASWJIVBACFIC-HZPDHXFCSA-N 0 3 247.382 3.639 20 0 BHADHN CC[C@@H](c1ccccc1)N1CCO[C@](C)(CC)C1 ZINC000442892216 193000421 /nfs/dbraw/zinc/00/04/21/193000421.db2.gz UTASWJIVBACFIC-JKSUJKDBSA-N 0 3 247.382 3.639 20 0 BHADHN CC[C@]1(C)CN([C@H](C)c2cccc(C)c2)CCO1 ZINC000442893742 193001095 /nfs/dbraw/zinc/00/10/95/193001095.db2.gz XYMGJNQYMPIAAQ-GDBMZVCRSA-N 0 3 247.382 3.557 20 0 BHADHN CC[C@]1(C)CN([C@@H](C)c2cccc(C)c2)CCO1 ZINC000442893745 193001129 /nfs/dbraw/zinc/00/11/29/193001129.db2.gz XYMGJNQYMPIAAQ-GOEBONIOSA-N 0 3 247.382 3.557 20 0 BHADHN CC[C@@]1(C)CN([C@@H](C)c2cccc(C)c2)CCO1 ZINC000442893748 193000884 /nfs/dbraw/zinc/00/08/84/193000884.db2.gz XYMGJNQYMPIAAQ-HOCLYGCPSA-N 0 3 247.382 3.557 20 0 BHADHN CC[C@@]1(C)CN([C@H](C)c2cccc(C)c2)CCO1 ZINC000442893749 193001144 /nfs/dbraw/zinc/00/11/44/193001144.db2.gz XYMGJNQYMPIAAQ-ZBFHGGJFSA-N 0 3 247.382 3.557 20 0 BHADHN CC[C@]1(C)CN([C@H](C)c2ccccc2C)CCO1 ZINC000442893829 193001518 /nfs/dbraw/zinc/00/15/18/193001518.db2.gz YEHFQGHGJIZPBY-GDBMZVCRSA-N 0 3 247.382 3.557 20 0 BHADHN CC[C@]1(C)CN([C@@H](C)c2ccccc2C)CCO1 ZINC000442893832 193001261 /nfs/dbraw/zinc/00/12/61/193001261.db2.gz YEHFQGHGJIZPBY-GOEBONIOSA-N 0 3 247.382 3.557 20 0 BHADHN CC[C@@]1(C)CN([C@@H](C)c2ccccc2C)CCO1 ZINC000442893834 193001647 /nfs/dbraw/zinc/00/16/47/193001647.db2.gz YEHFQGHGJIZPBY-HOCLYGCPSA-N 0 3 247.382 3.557 20 0 BHADHN CC[C@@]1(C)CN([C@H](C)c2ccccc2C)CCO1 ZINC000442893836 386997529 /nfs/dbraw/zinc/99/75/29/386997529.db2.gz YEHFQGHGJIZPBY-ZBFHGGJFSA-N 0 3 247.382 3.557 20 0 BHADHN Cc1cncc(CN2CC(C)(C)CC(C)(C)C2)c1 ZINC000442907308 193004154 /nfs/dbraw/zinc/00/41/54/193004154.db2.gz ZHVHAUHFDVIABR-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CNCC[C@@H](C)CC(C)(C)C)nc1 ZINC000443003928 193010293 /nfs/dbraw/zinc/01/02/93/193010293.db2.gz BNZKNHHOGVJVMB-CYBMUJFWSA-N 0 3 248.414 3.942 20 0 BHADHN Cc1ccc(CNCC[C@H](C)CC(C)(C)C)nc1 ZINC000443003930 193010494 /nfs/dbraw/zinc/01/04/94/193010494.db2.gz BNZKNHHOGVJVMB-ZDUSSCGKSA-N 0 3 248.414 3.942 20 0 BHADHN CC1(C)CN([C@H]2C=CCCC2)CC2(CCCC2)O1 ZINC000443341476 193019384 /nfs/dbraw/zinc/01/93/84/193019384.db2.gz LCAQMFMZJBKZKO-AWEZNQCLSA-N 0 3 249.398 3.519 20 0 BHADHN CC1(C)CN([C@@H]2C=CCCC2)CC2(CCCC2)O1 ZINC000443341477 193019587 /nfs/dbraw/zinc/01/95/87/193019587.db2.gz LCAQMFMZJBKZKO-CQSZACIVSA-N 0 3 249.398 3.519 20 0 BHADHN CC1=CCC[C@H](C)[C@@H]1CN(C)Cc1ccco1 ZINC000443403280 193019164 /nfs/dbraw/zinc/01/91/64/193019164.db2.gz AFQIPKBLENVUOL-DZGCQCFKSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=CCC[C@@H](C)[C@H]1CN(C)Cc1ccco1 ZINC000443403282 193018907 /nfs/dbraw/zinc/01/89/07/193018907.db2.gz AFQIPKBLENVUOL-HIFRSBDPSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=CCC[C@@H](C)[C@@H]1CN(C)Cc1ccco1 ZINC000443403284 193019960 /nfs/dbraw/zinc/01/99/60/193019960.db2.gz AFQIPKBLENVUOL-UKRRQHHQSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=CCC[C@H](C)[C@H]1CN(C)Cc1ccco1 ZINC000443403287 193019320 /nfs/dbraw/zinc/01/93/20/193019320.db2.gz AFQIPKBLENVUOL-ZFWWWQNUSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=CCC[C@H](C)[C@@H]1CN(C)Cc1ccoc1 ZINC000443405724 193019110 /nfs/dbraw/zinc/01/91/10/193019110.db2.gz KTAFHFJRVYVKAG-DZGCQCFKSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=CCC[C@@H](C)[C@H]1CN(C)Cc1ccoc1 ZINC000443405726 193020079 /nfs/dbraw/zinc/02/00/79/193020079.db2.gz KTAFHFJRVYVKAG-HIFRSBDPSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=CCC[C@@H](C)[C@@H]1CN(C)Cc1ccoc1 ZINC000443405727 193019986 /nfs/dbraw/zinc/01/99/86/193019986.db2.gz KTAFHFJRVYVKAG-UKRRQHHQSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=CCC[C@H](C)[C@H]1CN(C)Cc1ccoc1 ZINC000443405728 193019812 /nfs/dbraw/zinc/01/98/12/193019812.db2.gz KTAFHFJRVYVKAG-ZFWWWQNUSA-N 0 3 233.355 3.704 20 0 BHADHN CC(C)CSCCCN1Cc2ccccc2C1 ZINC000443611528 193026567 /nfs/dbraw/zinc/02/65/67/193026567.db2.gz ZEZAIJKGNZTPPJ-UHFFFAOYSA-N 0 3 249.423 3.782 20 0 BHADHN CCC1CCN(CCCCC(F)(F)F)CC1 ZINC000443618638 193026250 /nfs/dbraw/zinc/02/62/50/193026250.db2.gz NXGQFQQMIHVBCL-UHFFFAOYSA-N 0 3 237.309 3.841 20 0 BHADHN CC1=CCC[C@@H](C)[C@@H]1CN(C)Cc1ccccn1 ZINC000443855192 193031018 /nfs/dbraw/zinc/03/10/18/193031018.db2.gz PQCZNUXRQNRHFC-GDBMZVCRSA-N 0 3 244.382 3.506 20 0 BHADHN CC1=CCC[C@H](C)[C@@H]1CN(C)Cc1ccccn1 ZINC000443855193 193030714 /nfs/dbraw/zinc/03/07/14/193030714.db2.gz PQCZNUXRQNRHFC-GOEBONIOSA-N 0 3 244.382 3.506 20 0 BHADHN CC1=CCC[C@H](C)[C@H]1CN(C)Cc1ccccn1 ZINC000443855194 193030410 /nfs/dbraw/zinc/03/04/10/193030410.db2.gz PQCZNUXRQNRHFC-HOCLYGCPSA-N 0 3 244.382 3.506 20 0 BHADHN CC1=CCC[C@@H](C)[C@H]1CN(C)Cc1ccccn1 ZINC000443855195 193030647 /nfs/dbraw/zinc/03/06/47/193030647.db2.gz PQCZNUXRQNRHFC-ZBFHGGJFSA-N 0 3 244.382 3.506 20 0 BHADHN CCc1cc(N2CCC[C@H]2C)c2ccccc2n1 ZINC000443892806 193032385 /nfs/dbraw/zinc/03/23/85/193032385.db2.gz AKAOFCJILIHBBB-GFCCVEGCSA-N 0 3 240.350 3.786 20 0 BHADHN CCc1cc(N2CCC[C@@H]2C)c2ccccc2n1 ZINC000443892807 193031926 /nfs/dbraw/zinc/03/19/26/193031926.db2.gz AKAOFCJILIHBBB-LBPRGKRZSA-N 0 3 240.350 3.786 20 0 BHADHN Cc1occc1CN(C)CCC1CCCCC1 ZINC000444022614 193033338 /nfs/dbraw/zinc/03/33/38/193033338.db2.gz LOIPQWBXAQGXBL-UHFFFAOYSA-N 0 3 235.371 3.990 20 0 BHADHN CCc1ccccc1CCN(C)Cc1ccco1 ZINC000444591335 193051866 /nfs/dbraw/zinc/05/18/66/193051866.db2.gz NRUVPIWLXRKTSJ-UHFFFAOYSA-N 0 3 243.350 3.517 20 0 BHADHN CCc1ccccc1CCN(C)Cc1ccoc1 ZINC000444598221 193051993 /nfs/dbraw/zinc/05/19/93/193051993.db2.gz RFMQPIGMZNTYLW-UHFFFAOYSA-N 0 3 243.350 3.517 20 0 BHADHN C[C@H]1CCCC[C@@H]1N(C)Cc1ncc(C2CC2)o1 ZINC000444663075 387902955 /nfs/dbraw/zinc/90/29/55/387902955.db2.gz OEWPLYXASPOXHQ-AAEUAGOBSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCCC[C@H]1N(C)Cc1ncc(C2CC2)o1 ZINC000444663077 387903059 /nfs/dbraw/zinc/90/30/59/387903059.db2.gz OEWPLYXASPOXHQ-DGCLKSJQSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@H]1CCCC[C@H]1N(C)Cc1ncc(C2CC2)o1 ZINC000444663078 387903231 /nfs/dbraw/zinc/90/32/31/387903231.db2.gz OEWPLYXASPOXHQ-WCQYABFASA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCCC[C@@H]1N(C)Cc1ncc(C2CC2)o1 ZINC000444663079 387903636 /nfs/dbraw/zinc/90/36/36/387903636.db2.gz OEWPLYXASPOXHQ-YPMHNXCESA-N 0 3 248.370 3.563 20 0 BHADHN FC(F)(F)CCN1CCCC2(CCCC2)C1 ZINC000444684679 387909085 /nfs/dbraw/zinc/90/90/85/387909085.db2.gz LAORVLSNZODPAX-UHFFFAOYSA-N 0 3 235.293 3.595 20 0 BHADHN CN(Cc1cc(F)cc(F)c1)[C@H]1C=CCCC1 ZINC000444694597 387910249 /nfs/dbraw/zinc/91/02/49/387910249.db2.gz BDUVYZNSZVHBFE-AWEZNQCLSA-N 0 3 237.293 3.505 20 0 BHADHN CN(Cc1cc(F)cc(F)c1)[C@@H]1C=CCCC1 ZINC000444694609 387910797 /nfs/dbraw/zinc/91/07/97/387910797.db2.gz BDUVYZNSZVHBFE-CQSZACIVSA-N 0 3 237.293 3.505 20 0 BHADHN CCCCCN(C)Cc1cc(F)cc(F)c1 ZINC000444702042 387912516 /nfs/dbraw/zinc/91/25/16/387912516.db2.gz HOXNNPQDABKXQI-UHFFFAOYSA-N 0 3 227.298 3.587 20 0 BHADHN CC/C=C\CCN(C)Cc1cc(F)cc(F)c1 ZINC000444710332 387915106 /nfs/dbraw/zinc/91/51/06/387915106.db2.gz VAKINYSEVPXLPA-PLNGDYQASA-N 0 3 239.309 3.753 20 0 BHADHN CC/C=C/CCN(C)Cc1cc(F)cc(F)c1 ZINC000444710419 387915170 /nfs/dbraw/zinc/91/51/70/387915170.db2.gz VAKINYSEVPXLPA-SNAWJCMRSA-N 0 3 239.309 3.753 20 0 BHADHN Cc1cc(CN(C)[C@H]2C=CCCC2)ccc1F ZINC000444743530 387919888 /nfs/dbraw/zinc/91/98/88/387919888.db2.gz ZODWLRCZTXJJCB-AWEZNQCLSA-N 0 3 233.330 3.675 20 0 BHADHN Cc1cc(CN(C)[C@@H]2C=CCCC2)ccc1F ZINC000444743532 387918515 /nfs/dbraw/zinc/91/85/15/387918515.db2.gz ZODWLRCZTXJJCB-CQSZACIVSA-N 0 3 233.330 3.675 20 0 BHADHN CC(C)N(Cc1ncc(C2CC2)o1)CC1CCC1 ZINC000444767154 387924340 /nfs/dbraw/zinc/92/43/40/387924340.db2.gz QYRNBFJOVBPBRP-UHFFFAOYSA-N 0 3 248.370 3.563 20 0 BHADHN Clc1ccccc1CN1CCCC12CCC2 ZINC000444776373 387930088 /nfs/dbraw/zinc/93/00/88/387930088.db2.gz CIXRWKDXFWYRPV-UHFFFAOYSA-N 0 3 235.758 3.859 20 0 BHADHN Clc1ccc(CN2CCCC23CCC3)s1 ZINC000444777198 387930452 /nfs/dbraw/zinc/93/04/52/387930452.db2.gz FELZJMLJUVHJGO-UHFFFAOYSA-N 0 3 241.787 3.920 20 0 BHADHN Clc1cccc(CN2CCCC23CCC3)c1 ZINC000444783134 201637865 /nfs/dbraw/zinc/63/78/65/201637865.db2.gz JXMNDXZWCASVHM-UHFFFAOYSA-N 0 3 235.758 3.859 20 0 BHADHN Cc1ccccc1[C@@H](CC(F)(F)F)NC(C)C ZINC000444793515 387933311 /nfs/dbraw/zinc/93/33/11/387933311.db2.gz SFAGSLZPKPEOBP-GFCCVEGCSA-N 0 3 245.288 3.987 20 0 BHADHN Cc1ccccc1[C@H](CC(F)(F)F)NC(C)C ZINC000444793516 387931507 /nfs/dbraw/zinc/93/15/07/387931507.db2.gz SFAGSLZPKPEOBP-LBPRGKRZSA-N 0 3 245.288 3.987 20 0 BHADHN CCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444797183 388585681 /nfs/dbraw/zinc/58/56/81/388585681.db2.gz XJTURCCVEIEDCQ-CYBMUJFWSA-N 0 3 223.747 3.887 20 0 BHADHN CCN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444797184 388585662 /nfs/dbraw/zinc/58/56/62/388585662.db2.gz XJTURCCVEIEDCQ-ZDUSSCGKSA-N 0 3 223.747 3.887 20 0 BHADHN CC[C@@H]1CCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000445427788 387430927 /nfs/dbraw/zinc/43/09/27/387430927.db2.gz RWMKUMYHAZNBRX-GHMZBOCLSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@H]1CCN([C@H](C)c2cc(F)ccc2F)C1 ZINC000445427789 387431872 /nfs/dbraw/zinc/43/18/72/387431872.db2.gz RWMKUMYHAZNBRX-MNOVXSKESA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@H]1CCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000445427790 387432705 /nfs/dbraw/zinc/43/27/05/387432705.db2.gz RWMKUMYHAZNBRX-QWRGUYRKSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@@H]1CCN([C@@H](C)c2cc(F)ccc2F)C1 ZINC000445427791 387431721 /nfs/dbraw/zinc/43/17/21/387431721.db2.gz RWMKUMYHAZNBRX-WDEREUQCSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@@H]1CCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000445434141 387942170 /nfs/dbraw/zinc/94/21/70/387942170.db2.gz OSDJQFSMQZTNLB-GHMZBOCLSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@H]1CCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000445434142 387942881 /nfs/dbraw/zinc/94/28/81/387942881.db2.gz OSDJQFSMQZTNLB-MNOVXSKESA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@H]1CCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000445434143 387942605 /nfs/dbraw/zinc/94/26/05/387942605.db2.gz OSDJQFSMQZTNLB-QWRGUYRKSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@@H]1CCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000445434144 387941017 /nfs/dbraw/zinc/94/10/17/387941017.db2.gz OSDJQFSMQZTNLB-WDEREUQCSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@@H]1CCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000445437226 387986765 /nfs/dbraw/zinc/98/67/65/387986765.db2.gz ZLNISFXYZXAWPB-GHMZBOCLSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@H]1CCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000445437227 387986676 /nfs/dbraw/zinc/98/66/76/387986676.db2.gz ZLNISFXYZXAWPB-MNOVXSKESA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@H]1CCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000445437228 387986920 /nfs/dbraw/zinc/98/69/20/387986920.db2.gz ZLNISFXYZXAWPB-QWRGUYRKSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@@H]1CCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000445437229 387987133 /nfs/dbraw/zinc/98/71/33/387987133.db2.gz ZLNISFXYZXAWPB-WDEREUQCSA-N 0 3 239.309 3.758 20 0 BHADHN C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@@](C)(F)C1 ZINC000445453306 387527630 /nfs/dbraw/zinc/52/76/30/387527630.db2.gz HRIAZCGHAKZDNB-BLLLJJGKSA-N 0 3 247.357 3.670 20 0 BHADHN C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@](C)(F)C1 ZINC000445453307 387528326 /nfs/dbraw/zinc/52/83/26/387528326.db2.gz HRIAZCGHAKZDNB-LRDDRELGSA-N 0 3 247.357 3.670 20 0 BHADHN C[C@H](c1ccc2c(c1)CCC2)N1CC[C@@](C)(F)C1 ZINC000445453308 387527173 /nfs/dbraw/zinc/52/71/73/387527173.db2.gz HRIAZCGHAKZDNB-MLGOLLRUSA-N 0 3 247.357 3.670 20 0 BHADHN C[C@H](c1ccc2c(c1)CCC2)N1CC[C@](C)(F)C1 ZINC000445453309 387527901 /nfs/dbraw/zinc/52/79/01/387527901.db2.gz HRIAZCGHAKZDNB-WBMJQRKESA-N 0 3 247.357 3.670 20 0 BHADHN CC(C)C[C@@H](C)N1CCc2cc(F)ccc2C1 ZINC000445459095 387534731 /nfs/dbraw/zinc/53/47/31/387534731.db2.gz XOCVLHOEOZWISN-GFCCVEGCSA-N 0 3 235.346 3.618 20 0 BHADHN CC(C)C[C@H](C)N1CCc2cc(F)ccc2C1 ZINC000445459096 206045866 /nfs/dbraw/zinc/04/58/66/206045866.db2.gz XOCVLHOEOZWISN-LBPRGKRZSA-N 0 3 235.346 3.618 20 0 BHADHN CC(C)C[C@H](C)N1CC=C(C(F)(F)F)CC1 ZINC000445466181 384903883 /nfs/dbraw/zinc/90/38/83/384903883.db2.gz ZQIVIMKKJRPWHM-JTQLQIEISA-N 0 3 235.293 3.615 20 0 BHADHN CC(C)C[C@@H](C)N1CC=C(C(F)(F)F)CC1 ZINC000445466182 384901575 /nfs/dbraw/zinc/90/15/75/384901575.db2.gz ZQIVIMKKJRPWHM-SNVBAGLBSA-N 0 3 235.293 3.615 20 0 BHADHN CCN(Cc1cc(F)ccc1Cl)CC1CC1 ZINC000445789399 387968631 /nfs/dbraw/zinc/96/86/31/387968631.db2.gz GGXMGGITXGOQNB-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CN(Cc1cc(F)ccc1Cl)C1CCCC1 ZINC000445797590 387968826 /nfs/dbraw/zinc/96/88/26/387968826.db2.gz BGTLFMVYWVLFLQ-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CCCCC[C@H]1CCCN1Cc1cnoc1C ZINC000445814354 387970297 /nfs/dbraw/zinc/97/02/97/387970297.db2.gz VXSKLMSJPVSXFO-AWEZNQCLSA-N 0 3 236.359 3.528 20 0 BHADHN CCCCC[C@@H]1CCCN1Cc1cnoc1C ZINC000445814355 387971032 /nfs/dbraw/zinc/97/10/32/387971032.db2.gz VXSKLMSJPVSXFO-CQSZACIVSA-N 0 3 236.359 3.528 20 0 BHADHN Cc1cccc(CN2CCCC3(CCCC3)C2)n1 ZINC000445847703 387975324 /nfs/dbraw/zinc/97/53/24/387975324.db2.gz DNDGWPUFDILDSF-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN Cc1cnc([C@@H](C)N2CCCCC(C)(C)C2)o1 ZINC000446057982 387987814 /nfs/dbraw/zinc/98/78/14/387987814.db2.gz CWFHAIBNKKPHDV-GFCCVEGCSA-N 0 3 236.359 3.556 20 0 BHADHN Cc1cnc([C@H](C)N2CCCCC(C)(C)C2)o1 ZINC000446057985 387988338 /nfs/dbraw/zinc/98/83/38/387988338.db2.gz CWFHAIBNKKPHDV-LBPRGKRZSA-N 0 3 236.359 3.556 20 0 BHADHN CC[C@@H]1CCN([C@H](C)c2c(F)cccc2F)C1 ZINC000446738934 388035904 /nfs/dbraw/zinc/03/59/04/388035904.db2.gz OEYFOUCDKWWNAS-GHMZBOCLSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@H]1CCN([C@H](C)c2c(F)cccc2F)C1 ZINC000446738935 388035765 /nfs/dbraw/zinc/03/57/65/388035765.db2.gz OEYFOUCDKWWNAS-MNOVXSKESA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@H]1CCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000446738936 388035657 /nfs/dbraw/zinc/03/56/57/388035657.db2.gz OEYFOUCDKWWNAS-QWRGUYRKSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@@H]1CCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000446738937 388034877 /nfs/dbraw/zinc/03/48/77/388034877.db2.gz OEYFOUCDKWWNAS-WDEREUQCSA-N 0 3 239.309 3.758 20 0 BHADHN C[C@H](CCN[C@H](C)c1ccon1)c1ccccc1 ZINC000446761837 388037448 /nfs/dbraw/zinc/03/74/48/388037448.db2.gz MBHGXPGBUXMCDO-CHWSQXEVSA-N 0 3 244.338 3.519 20 0 BHADHN C[C@H](CCN[C@@H](C)c1ccon1)c1ccccc1 ZINC000446761838 388036519 /nfs/dbraw/zinc/03/65/19/388036519.db2.gz MBHGXPGBUXMCDO-OLZOCXBDSA-N 0 3 244.338 3.519 20 0 BHADHN C[C@@H](NCC[C@H](C)c1ccccc1)c1ccon1 ZINC000446761839 386505312 /nfs/dbraw/zinc/50/53/12/386505312.db2.gz MBHGXPGBUXMCDO-QWHCGFSZSA-N 0 3 244.338 3.519 20 0 BHADHN C[C@@H](CCN[C@@H](C)c1ccon1)c1ccccc1 ZINC000446761840 386504121 /nfs/dbraw/zinc/50/41/21/386504121.db2.gz MBHGXPGBUXMCDO-STQMWFEESA-N 0 3 244.338 3.519 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN2CCCC23CCC3)o1 ZINC000446835551 388040234 /nfs/dbraw/zinc/04/02/34/388040234.db2.gz PGDCTLUPEYOJLO-GXTWGEPZSA-N 0 3 245.366 3.922 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN2CCCC23CCC3)o1 ZINC000446835552 388041150 /nfs/dbraw/zinc/04/11/50/388041150.db2.gz PGDCTLUPEYOJLO-JSGCOSHPSA-N 0 3 245.366 3.922 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCCC23CCC3)o1 ZINC000446835553 388040819 /nfs/dbraw/zinc/04/08/19/388040819.db2.gz PGDCTLUPEYOJLO-OCCSQVGLSA-N 0 3 245.366 3.922 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CCCC23CCC3)o1 ZINC000446835554 388041164 /nfs/dbraw/zinc/04/11/64/388041164.db2.gz PGDCTLUPEYOJLO-TZMCWYRMSA-N 0 3 245.366 3.922 20 0 BHADHN Cc1ccc(F)c(CN2CCCC23CCC3)c1 ZINC000446845623 388041575 /nfs/dbraw/zinc/04/15/75/388041575.db2.gz OUVATKGWXMGMOW-UHFFFAOYSA-N 0 3 233.330 3.653 20 0 BHADHN Clc1sccc1CN1CCCC12CCC2 ZINC000446849231 388042745 /nfs/dbraw/zinc/04/27/45/388042745.db2.gz XCZFBYWGBOSTTL-UHFFFAOYSA-N 0 3 241.787 3.920 20 0 BHADHN CCCC[C@@H](C)NCc1ccc2c(n1)CCCC2 ZINC000446915502 388044154 /nfs/dbraw/zinc/04/41/54/388044154.db2.gz VXLRWZUXYGRXLB-CYBMUJFWSA-N 0 3 246.398 3.629 20 0 BHADHN CCCC[C@H](C)NCc1ccc2c(n1)CCCC2 ZINC000446915503 388043402 /nfs/dbraw/zinc/04/34/02/388043402.db2.gz VXLRWZUXYGRXLB-ZDUSSCGKSA-N 0 3 246.398 3.629 20 0 BHADHN CC(C)[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000447059172 388049976 /nfs/dbraw/zinc/04/99/76/388049976.db2.gz KLUAIYGGAQFENF-CYBMUJFWSA-N 0 3 240.350 3.717 20 0 BHADHN CC(C)[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000447059173 386031324 /nfs/dbraw/zinc/03/13/24/386031324.db2.gz KLUAIYGGAQFENF-ZDUSSCGKSA-N 0 3 240.350 3.717 20 0 BHADHN C[C@@H](C1CCCCC1)N(C)Cc1cncs1 ZINC000447072593 388052322 /nfs/dbraw/zinc/05/23/22/388052322.db2.gz LTSALYLNRABYDP-NSHDSACASA-N 0 3 238.400 3.544 20 0 BHADHN Cc1ccc(CN[C@@H](C)CC2CCCCC2)nc1 ZINC000447087921 201708642 /nfs/dbraw/zinc/70/86/42/201708642.db2.gz QLPLHTMZIVELDQ-AWEZNQCLSA-N 0 3 246.398 3.839 20 0 BHADHN Cc1ccc(CN2CCC[C@H]2C)c(Cl)c1 ZINC000447302276 388060581 /nfs/dbraw/zinc/06/05/81/388060581.db2.gz PANFOLSAHBLMBY-LLVKDONJSA-N 0 3 223.747 3.633 20 0 BHADHN Cc1ccc(CN2CCC[C@@H]2C)c(Cl)c1 ZINC000447302278 388061384 /nfs/dbraw/zinc/06/13/84/388061384.db2.gz PANFOLSAHBLMBY-NSHDSACASA-N 0 3 223.747 3.633 20 0 BHADHN CN(C)CCSCc1ccc(C2CCC2)cc1 ZINC000447305182 388061569 /nfs/dbraw/zinc/06/15/69/388061569.db2.gz LAMLUWSOUNFSHO-UHFFFAOYSA-N 0 3 249.423 3.749 20 0 BHADHN Cc1ccc(CN(C)C2CCC2)c(Cl)c1 ZINC000447309376 388062996 /nfs/dbraw/zinc/06/29/96/388062996.db2.gz NDNJGQFBNSXCIU-UHFFFAOYSA-N 0 3 223.747 3.633 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H](C)Cc2ccoc2)c(C)o1 ZINC000447576525 388079328 /nfs/dbraw/zinc/07/93/28/388079328.db2.gz ZBIUGEFXTPWSAU-CMPLNLGQSA-N 0 3 247.338 3.771 20 0 BHADHN Cc1cc([C@H](C)N[C@@H](C)Cc2ccoc2)c(C)o1 ZINC000447576526 388079186 /nfs/dbraw/zinc/07/91/86/388079186.db2.gz ZBIUGEFXTPWSAU-JQWIXIFHSA-N 0 3 247.338 3.771 20 0 BHADHN Cc1cc([C@H](C)N[C@H](C)Cc2ccoc2)c(C)o1 ZINC000447576527 388079427 /nfs/dbraw/zinc/07/94/27/388079427.db2.gz ZBIUGEFXTPWSAU-PWSUYJOCSA-N 0 3 247.338 3.771 20 0 BHADHN Cc1cc([C@@H](C)N[C@H](C)Cc2ccoc2)c(C)o1 ZINC000447576528 388079878 /nfs/dbraw/zinc/07/98/78/388079878.db2.gz ZBIUGEFXTPWSAU-ZYHUDNBSSA-N 0 3 247.338 3.771 20 0 BHADHN C=Cn1cc(CN2CCC[C@@H]2CCCCC)cn1 ZINC000447723775 388087540 /nfs/dbraw/zinc/08/75/40/388087540.db2.gz REZULKIWFFUNLE-HNNXBMFYSA-N 0 3 247.386 3.528 20 0 BHADHN C=Cn1cc(CN2CCC[C@H]2CCCCC)cn1 ZINC000447723776 388087595 /nfs/dbraw/zinc/08/75/95/388087595.db2.gz REZULKIWFFUNLE-OAHLLOKOSA-N 0 3 247.386 3.528 20 0 BHADHN C[C@@H](CCN(C)Cc1ccc[nH]1)c1ccccc1 ZINC000447729133 388089661 /nfs/dbraw/zinc/08/96/61/388089661.db2.gz NFNQIWMNSBABOC-AWEZNQCLSA-N 0 3 242.366 3.640 20 0 BHADHN C[C@H](CCN(C)Cc1ccc[nH]1)c1ccccc1 ZINC000447729138 388088945 /nfs/dbraw/zinc/08/89/45/388088945.db2.gz NFNQIWMNSBABOC-CQSZACIVSA-N 0 3 242.366 3.640 20 0 BHADHN C[C@@H](CCN1CC[C@@](C)(F)C1)c1ccccc1 ZINC000447731828 388089572 /nfs/dbraw/zinc/08/95/72/388089572.db2.gz NTZPFMXKCKYCIQ-DZGCQCFKSA-N 0 3 235.346 3.614 20 0 BHADHN C[C@H](CCN1CC[C@](C)(F)C1)c1ccccc1 ZINC000447731831 388088812 /nfs/dbraw/zinc/08/88/12/388088812.db2.gz NTZPFMXKCKYCIQ-HIFRSBDPSA-N 0 3 235.346 3.614 20 0 BHADHN C[C@H](CCN1CC[C@@](C)(F)C1)c1ccccc1 ZINC000447731832 388089737 /nfs/dbraw/zinc/08/97/37/388089737.db2.gz NTZPFMXKCKYCIQ-UKRRQHHQSA-N 0 3 235.346 3.614 20 0 BHADHN C[C@@H](CCN1CC[C@](C)(F)C1)c1ccccc1 ZINC000447731833 388089355 /nfs/dbraw/zinc/08/93/55/388089355.db2.gz NTZPFMXKCKYCIQ-ZFWWWQNUSA-N 0 3 235.346 3.614 20 0 BHADHN C[C@@H](CCN(C)Cc1ccoc1)c1ccccc1 ZINC000447737613 388090513 /nfs/dbraw/zinc/09/05/13/388090513.db2.gz COAOVDKZRZXYIY-AWEZNQCLSA-N 0 3 243.350 3.905 20 0 BHADHN C[C@H](CCN(C)Cc1ccoc1)c1ccccc1 ZINC000447737614 388090345 /nfs/dbraw/zinc/09/03/45/388090345.db2.gz COAOVDKZRZXYIY-CQSZACIVSA-N 0 3 243.350 3.905 20 0 BHADHN Cc1ccc(CN2CCC[C@H]2C)cc1Cl ZINC000447746588 388090208 /nfs/dbraw/zinc/09/02/08/388090208.db2.gz QHJJYFMRQFLZCG-LLVKDONJSA-N 0 3 223.747 3.633 20 0 BHADHN Cc1ccc(CN2CCC[C@@H]2C)cc1Cl ZINC000447746589 388090191 /nfs/dbraw/zinc/09/01/91/388090191.db2.gz QHJJYFMRQFLZCG-NSHDSACASA-N 0 3 223.747 3.633 20 0 BHADHN C[C@@H](CCN(C)Cc1ccco1)c1ccccc1 ZINC000447795288 388092819 /nfs/dbraw/zinc/09/28/19/388092819.db2.gz NAWWZOGTTJVQMF-AWEZNQCLSA-N 0 3 243.350 3.905 20 0 BHADHN C[C@H](CCN(C)Cc1ccco1)c1ccccc1 ZINC000447795289 388093070 /nfs/dbraw/zinc/09/30/70/388093070.db2.gz NAWWZOGTTJVQMF-CQSZACIVSA-N 0 3 243.350 3.905 20 0 BHADHN Fc1cccc(Cl)c1CCCN1CCCC1 ZINC000447796492 388092700 /nfs/dbraw/zinc/09/27/00/388092700.db2.gz VZMYWTWKTROVGR-UHFFFAOYSA-N 0 3 241.737 3.508 20 0 BHADHN CC[C@@H](C)NCc1ccc(-c2ccco2)cc1F ZINC000448027860 384529677 /nfs/dbraw/zinc/52/96/77/384529677.db2.gz NXGLDXKQSNMJMZ-LLVKDONJSA-N 0 3 247.313 3.974 20 0 BHADHN CC[C@H](C)NCc1ccc(-c2ccco2)cc1F ZINC000448027863 384531094 /nfs/dbraw/zinc/53/10/94/384531094.db2.gz NXGLDXKQSNMJMZ-NSHDSACASA-N 0 3 247.313 3.974 20 0 BHADHN CCOc1ccccc1CNC1CC2(CCC2)C1 ZINC000448058085 323004770 /nfs/dbraw/zinc/00/47/70/323004770.db2.gz IUDUATQRANWYRK-UHFFFAOYSA-N 0 3 245.366 3.508 20 0 BHADHN Cc1cc([C@@H](C)NC2CC3(CCC3)C2)c(C)o1 ZINC000448069392 384983227 /nfs/dbraw/zinc/98/32/27/384983227.db2.gz MSJVBVSSSBCFBN-LLVKDONJSA-N 0 3 233.355 3.880 20 0 BHADHN Cc1cc([C@H](C)NC2CC3(CCC3)C2)c(C)o1 ZINC000448069401 384982169 /nfs/dbraw/zinc/98/21/69/384982169.db2.gz MSJVBVSSSBCFBN-NSHDSACASA-N 0 3 233.355 3.880 20 0 BHADHN COc1ccccc1[C@@H](C)NC1CC2(CCC2)C1 ZINC000448071264 384993847 /nfs/dbraw/zinc/99/38/47/384993847.db2.gz NGWIIQAONSSABD-GFCCVEGCSA-N 0 3 245.366 3.679 20 0 BHADHN COc1ccccc1[C@H](C)NC1CC2(CCC2)C1 ZINC000448071265 384992394 /nfs/dbraw/zinc/99/23/94/384992394.db2.gz NGWIIQAONSSABD-LBPRGKRZSA-N 0 3 245.366 3.679 20 0 BHADHN CC(C)(CF)NCc1cccc2ccccc21 ZINC000448331323 385438660 /nfs/dbraw/zinc/43/86/60/385438660.db2.gz HUWQXHAEFUHOJT-UHFFFAOYSA-N 0 3 231.314 3.678 20 0 BHADHN CCC1(N[C@H](C)c2ccc(F)cc2F)CC1 ZINC000448552537 201242813 /nfs/dbraw/zinc/24/28/13/201242813.db2.gz GLPLJAVYAWVMMK-SECBINFHSA-N 0 3 225.282 3.558 20 0 BHADHN CCC1(N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000448552538 201243143 /nfs/dbraw/zinc/24/31/43/201243143.db2.gz GLPLJAVYAWVMMK-VIFPVBQESA-N 0 3 225.282 3.558 20 0 BHADHN CC[C@@H](NC1(CC)CC1)c1ccccc1F ZINC000448552575 201243804 /nfs/dbraw/zinc/24/38/04/201243804.db2.gz KCUWDPIKADYFCP-CYBMUJFWSA-N 0 3 221.319 3.809 20 0 BHADHN CC[C@H](NC1(CC)CC1)c1ccccc1F ZINC000448552576 201243085 /nfs/dbraw/zinc/24/30/85/201243085.db2.gz KCUWDPIKADYFCP-ZDUSSCGKSA-N 0 3 221.319 3.809 20 0 BHADHN CCC1(N[C@H](C)c2cc(F)ccc2F)CC1 ZINC000448552579 201243563 /nfs/dbraw/zinc/24/35/63/201243563.db2.gz KXBMPOIGCJYTRB-SECBINFHSA-N 0 3 225.282 3.558 20 0 BHADHN CCC1(N[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000448552580 201243032 /nfs/dbraw/zinc/24/30/32/201243032.db2.gz KXBMPOIGCJYTRB-VIFPVBQESA-N 0 3 225.282 3.558 20 0 BHADHN CCC1(N[C@@H](C)c2ccccc2Cl)CC1 ZINC000448552597 201244089 /nfs/dbraw/zinc/24/40/89/201244089.db2.gz MWCRWTYFHHEMIG-JTQLQIEISA-N 0 3 223.747 3.933 20 0 BHADHN CCC1(N[C@H](C)c2ccccc2Cl)CC1 ZINC000448552598 201242862 /nfs/dbraw/zinc/24/28/62/201242862.db2.gz MWCRWTYFHHEMIG-SNVBAGLBSA-N 0 3 223.747 3.933 20 0 BHADHN CCC1(N[C@H](C)c2cc(C)ccc2OC)CC1 ZINC000448552599 201243570 /nfs/dbraw/zinc/24/35/70/201243570.db2.gz NAPWIZQJGRAJHJ-GFCCVEGCSA-N 0 3 233.355 3.597 20 0 BHADHN CCC1(N[C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000448552600 201242586 /nfs/dbraw/zinc/24/25/86/201242586.db2.gz NAPWIZQJGRAJHJ-LBPRGKRZSA-N 0 3 233.355 3.597 20 0 BHADHN CCC1(N[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000448552616 201243909 /nfs/dbraw/zinc/24/39/09/201243909.db2.gz PZQKZDOQLUDACJ-SECBINFHSA-N 0 3 225.282 3.558 20 0 BHADHN CCC1(N[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000448552617 201243578 /nfs/dbraw/zinc/24/35/78/201243578.db2.gz PZQKZDOQLUDACJ-VIFPVBQESA-N 0 3 225.282 3.558 20 0 BHADHN CCOc1ccccc1[C@@H](C)NC1(CC)CC1 ZINC000448552628 201243503 /nfs/dbraw/zinc/24/35/03/201243503.db2.gz QYNVVRDKGXYLTO-GFCCVEGCSA-N 0 3 233.355 3.679 20 0 BHADHN CCOc1ccccc1[C@H](C)NC1(CC)CC1 ZINC000448552629 201242476 /nfs/dbraw/zinc/24/24/76/201242476.db2.gz QYNVVRDKGXYLTO-LBPRGKRZSA-N 0 3 233.355 3.679 20 0 BHADHN CCC1(N[C@H](C)c2csc(Cl)c2)CC1 ZINC000448552665 201244051 /nfs/dbraw/zinc/24/40/51/201244051.db2.gz UOHULKFIAVFDQD-MRVPVSSYSA-N 0 3 229.776 3.995 20 0 BHADHN CCC1(N[C@@H](C)c2csc(Cl)c2)CC1 ZINC000448552666 201242731 /nfs/dbraw/zinc/24/27/31/201242731.db2.gz UOHULKFIAVFDQD-QMMMGPOBSA-N 0 3 229.776 3.995 20 0 BHADHN COc1cc2ccccc2cc1CN(C)C(C)C ZINC000449001110 388127514 /nfs/dbraw/zinc/12/75/14/388127514.db2.gz BMCWMACXBYPFGC-UHFFFAOYSA-N 0 3 243.350 3.689 20 0 BHADHN CCCN(CCC)Cc1ccnn1C1CCCC1 ZINC000449002391 388126818 /nfs/dbraw/zinc/12/68/18/388126818.db2.gz KNHYKWSDEJMCFA-UHFFFAOYSA-N 0 3 249.402 3.620 20 0 BHADHN CCCCN(CCCC)Cc1ccncc1F ZINC000449003755 388127552 /nfs/dbraw/zinc/12/75/52/388127552.db2.gz SHZDHTFPZAXIAA-UHFFFAOYSA-N 0 3 238.350 3.623 20 0 BHADHN CCCCN(CC)Cc1ccnn1C1CCCC1 ZINC000449003789 388127367 /nfs/dbraw/zinc/12/73/67/388127367.db2.gz STDPRSOOHQMHHC-UHFFFAOYSA-N 0 3 249.402 3.620 20 0 BHADHN CCCCCN(Cc1ccncc1F)C(C)C ZINC000449012645 388129077 /nfs/dbraw/zinc/12/90/77/388129077.db2.gz FSPZUDVGESAGBK-UHFFFAOYSA-N 0 3 238.350 3.621 20 0 BHADHN CCC[C@@H](C)N(C)Cc1ccnn1C1CCCC1 ZINC000449015977 388130321 /nfs/dbraw/zinc/13/03/21/388130321.db2.gz USIKPNPPSCQPNK-CYBMUJFWSA-N 0 3 249.402 3.619 20 0 BHADHN CCC[C@H](C)N(C)Cc1ccnn1C1CCCC1 ZINC000449015978 388130022 /nfs/dbraw/zinc/13/00/22/388130022.db2.gz USIKPNPPSCQPNK-ZDUSSCGKSA-N 0 3 249.402 3.619 20 0 BHADHN CCC(C)(C)N(C)Cc1ccnn1C1CCCC1 ZINC000449025009 388132161 /nfs/dbraw/zinc/13/21/61/388132161.db2.gz FURYOFKOKOLWIJ-UHFFFAOYSA-N 0 3 249.402 3.619 20 0 BHADHN C[C@H](CN1CCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000449027219 201792568 /nfs/dbraw/zinc/79/25/68/201792568.db2.gz LDDZUDWATNOHOR-GHMZBOCLSA-N 0 3 239.309 3.553 20 0 BHADHN C[C@H](CN1CCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000449027220 388131600 /nfs/dbraw/zinc/13/16/00/388131600.db2.gz LDDZUDWATNOHOR-MNOVXSKESA-N 0 3 239.309 3.553 20 0 BHADHN C[C@@H](CN1CCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000449027222 388132181 /nfs/dbraw/zinc/13/21/81/388132181.db2.gz LDDZUDWATNOHOR-QWRGUYRKSA-N 0 3 239.309 3.553 20 0 BHADHN C[C@@H](CN1CCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000449027223 388131971 /nfs/dbraw/zinc/13/19/71/388131971.db2.gz LDDZUDWATNOHOR-WDEREUQCSA-N 0 3 239.309 3.553 20 0 BHADHN Fc1cnccc1CN1CCCC12CCCCC2 ZINC000449027872 388132155 /nfs/dbraw/zinc/13/21/55/388132155.db2.gz JQLPMCWRUAFGIN-UHFFFAOYSA-N 0 3 248.345 3.519 20 0 BHADHN CSCC[C@H](C)N(C)Cc1csc(C)c1 ZINC000449029819 388132372 /nfs/dbraw/zinc/13/23/72/388132372.db2.gz PTQIFUSBRIOZHL-JTQLQIEISA-N 0 3 243.441 3.630 20 0 BHADHN CSCC[C@@H](C)N(C)Cc1csc(C)c1 ZINC000449029820 388133026 /nfs/dbraw/zinc/13/30/26/388133026.db2.gz PTQIFUSBRIOZHL-SNVBAGLBSA-N 0 3 243.441 3.630 20 0 BHADHN CC(C)CCC[C@@H](C)NCc1ccncc1F ZINC000449065327 398273214 /nfs/dbraw/zinc/27/32/14/398273214.db2.gz YWVGDNHPXHZLDP-GFCCVEGCSA-N 0 3 238.350 3.525 20 0 BHADHN CC(C)CCC[C@H](C)NCc1ccncc1F ZINC000449065328 398273249 /nfs/dbraw/zinc/27/32/49/398273249.db2.gz YWVGDNHPXHZLDP-LBPRGKRZSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@@H](CC)CNCc1ccncc1F ZINC000449065982 398273065 /nfs/dbraw/zinc/27/30/65/398273065.db2.gz XZFYHXGFLFUIDF-GFCCVEGCSA-N 0 3 238.350 3.527 20 0 BHADHN CCCC[C@H](CC)CNCc1ccncc1F ZINC000449065983 398273407 /nfs/dbraw/zinc/27/34/07/398273407.db2.gz XZFYHXGFLFUIDF-LBPRGKRZSA-N 0 3 238.350 3.527 20 0 BHADHN CC(C)(C)CC(C)(C)NCc1ccncc1F ZINC000449070349 388139148 /nfs/dbraw/zinc/13/91/48/388139148.db2.gz CDKOUAIEWCTIFQ-UHFFFAOYSA-N 0 3 238.350 3.525 20 0 BHADHN CC(C)CCCNCc1ccnn1C1CCCC1 ZINC000449071820 388138688 /nfs/dbraw/zinc/13/86/88/388138688.db2.gz OTQJZCQMIOVPJY-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN Cc1cnc(CNC2(C)CCC(C)CC2)s1 ZINC000449120230 201814335 /nfs/dbraw/zinc/81/43/35/201814335.db2.gz CJMSXRJWAXHJGA-UHFFFAOYSA-N 0 3 238.400 3.510 20 0 BHADHN CC(C)(C)CCCCNCc1ccncc1F ZINC000449124769 398276704 /nfs/dbraw/zinc/27/67/04/398276704.db2.gz HFNZWIYDBRDUNW-UHFFFAOYSA-N 0 3 238.350 3.527 20 0 BHADHN Cc1cnc(CNCCCCC(C)(C)C)s1 ZINC000449126217 388145968 /nfs/dbraw/zinc/14/59/68/388145968.db2.gz LNVQFRVPCKXJED-UHFFFAOYSA-N 0 3 240.416 3.758 20 0 BHADHN C[C@H](CCC(C)(C)C)NCc1ccncc1F ZINC000449161415 398280400 /nfs/dbraw/zinc/28/04/00/398280400.db2.gz OWJVFHSCMWYJPO-LLVKDONJSA-N 0 3 238.350 3.525 20 0 BHADHN C[C@@H](CCC(C)(C)C)NCc1ccncc1F ZINC000449161416 398280353 /nfs/dbraw/zinc/28/03/53/398280353.db2.gz OWJVFHSCMWYJPO-NSHDSACASA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@H](NCc1csc(C)c1)c1ccncc1 ZINC000449163070 388151351 /nfs/dbraw/zinc/15/13/51/388151351.db2.gz LEVWLYYSLSZREO-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1csc(C)c1)c1ccncc1 ZINC000449163072 388150833 /nfs/dbraw/zinc/15/08/33/388150833.db2.gz LEVWLYYSLSZREO-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN Cc1cc(CN[C@@H]2CCCC(F)(F)C2)cs1 ZINC000449181741 388154207 /nfs/dbraw/zinc/15/42/07/388154207.db2.gz AUTIDCCRYQWYQQ-LLVKDONJSA-N 0 3 245.338 3.724 20 0 BHADHN Cc1cc(CN[C@H]2CCCC(F)(F)C2)cs1 ZINC000449181742 388153923 /nfs/dbraw/zinc/15/39/23/388153923.db2.gz AUTIDCCRYQWYQQ-NSHDSACASA-N 0 3 245.338 3.724 20 0 BHADHN CCC(CC)(CC)CNCc1ccncc1F ZINC000449182879 398281599 /nfs/dbraw/zinc/28/15/99/398281599.db2.gz DFEYPDHSRRFNKI-UHFFFAOYSA-N 0 3 238.350 3.527 20 0 BHADHN CCCC[C@@H](CCC)NCc1ccncc1F ZINC000449183885 398282004 /nfs/dbraw/zinc/28/20/04/398282004.db2.gz LTIFUIHKXBEGTD-CYBMUJFWSA-N 0 3 238.350 3.669 20 0 BHADHN CCCC[C@H](CCC)NCc1ccncc1F ZINC000449183886 398282022 /nfs/dbraw/zinc/28/20/22/398282022.db2.gz LTIFUIHKXBEGTD-ZDUSSCGKSA-N 0 3 238.350 3.669 20 0 BHADHN c1cc2cccc(CN[C@H]3C=CCCC3)c2o1 ZINC000449196089 388156494 /nfs/dbraw/zinc/15/64/94/388156494.db2.gz RLVRGVJMRQKUCR-AWEZNQCLSA-N 0 3 227.307 3.631 20 0 BHADHN c1cc2cccc(CN[C@@H]3C=CCCC3)c2o1 ZINC000449196090 388156368 /nfs/dbraw/zinc/15/63/68/388156368.db2.gz RLVRGVJMRQKUCR-CQSZACIVSA-N 0 3 227.307 3.631 20 0 BHADHN Cc1cc(CNc2cc(C)cc(C)n2)cs1 ZINC000449204408 388156866 /nfs/dbraw/zinc/15/68/66/388156866.db2.gz JDRVYMUFZAKXEF-UHFFFAOYSA-N 0 3 232.352 3.680 20 0 BHADHN C[C@@H](CC(C)(C)C)NCc1ccc(Cl)cn1 ZINC000449250877 388162636 /nfs/dbraw/zinc/16/26/36/388162636.db2.gz MVCMLXISVAFMQI-JTQLQIEISA-N 0 3 240.778 3.649 20 0 BHADHN C[C@H](CC(C)(C)C)NCc1ccc(Cl)cn1 ZINC000449250892 388162649 /nfs/dbraw/zinc/16/26/49/388162649.db2.gz MVCMLXISVAFMQI-SNVBAGLBSA-N 0 3 240.778 3.649 20 0 BHADHN Fc1cnccc1CNCCC1=CCCCCC1 ZINC000449254695 398285671 /nfs/dbraw/zinc/28/56/71/398285671.db2.gz ZRIZTPJYSDWOAC-UHFFFAOYSA-N 0 3 248.345 3.591 20 0 BHADHN FCCN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449296812 388168850 /nfs/dbraw/zinc/16/88/50/388168850.db2.gz AFURYPFRIZFAPV-AAEUAGOBSA-N 0 3 241.737 3.535 20 0 BHADHN FCCN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449296813 388169293 /nfs/dbraw/zinc/16/92/93/388169293.db2.gz AFURYPFRIZFAPV-DGCLKSJQSA-N 0 3 241.737 3.535 20 0 BHADHN FCCN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449296814 388168965 /nfs/dbraw/zinc/16/89/65/388168965.db2.gz AFURYPFRIZFAPV-WCQYABFASA-N 0 3 241.737 3.535 20 0 BHADHN FCCN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449296815 388168686 /nfs/dbraw/zinc/16/86/86/388168686.db2.gz AFURYPFRIZFAPV-YPMHNXCESA-N 0 3 241.737 3.535 20 0 BHADHN Cc1ccccc1-c1ccccc1CNCCF ZINC000449302355 388169802 /nfs/dbraw/zinc/16/98/02/388169802.db2.gz VESQGVJQGNYGOI-UHFFFAOYSA-N 0 3 243.325 3.721 20 0 BHADHN C[C@H](CC(C)(C)C)N[C@H](C)c1ccncc1F ZINC000449311920 388171379 /nfs/dbraw/zinc/17/13/79/388171379.db2.gz LAFLYLFGPFZUSY-GHMZBOCLSA-N 0 3 238.350 3.696 20 0 BHADHN C[C@H](CC(C)(C)C)N[C@@H](C)c1ccncc1F ZINC000449311921 388171266 /nfs/dbraw/zinc/17/12/66/388171266.db2.gz LAFLYLFGPFZUSY-MNOVXSKESA-N 0 3 238.350 3.696 20 0 BHADHN C[C@@H](CC(C)(C)C)N[C@@H](C)c1ccncc1F ZINC000449311922 388171560 /nfs/dbraw/zinc/17/15/60/388171560.db2.gz LAFLYLFGPFZUSY-QWRGUYRKSA-N 0 3 238.350 3.696 20 0 BHADHN C[C@@H](N[C@@H](C)CC(C)(C)C)c1ccncc1F ZINC000449311923 388171277 /nfs/dbraw/zinc/17/12/77/388171277.db2.gz LAFLYLFGPFZUSY-WDEREUQCSA-N 0 3 238.350 3.696 20 0 BHADHN CC[C@H](CSC)N(C)Cc1csc(C)c1 ZINC000449327167 388173318 /nfs/dbraw/zinc/17/33/18/388173318.db2.gz AOMYHTIHRFSKHO-GFCCVEGCSA-N 0 3 243.441 3.630 20 0 BHADHN CC[C@@H](CSC)N(C)Cc1csc(C)c1 ZINC000449327168 388173543 /nfs/dbraw/zinc/17/35/43/388173543.db2.gz AOMYHTIHRFSKHO-LBPRGKRZSA-N 0 3 243.441 3.630 20 0 BHADHN Cc1cccc(CNCCC2(F)CCC2)c1F ZINC000449334035 383883284 /nfs/dbraw/zinc/88/32/84/383883284.db2.gz WIXFTJKHGMLSPR-UHFFFAOYSA-N 0 3 239.309 3.506 20 0 BHADHN Cc1cc(CN2CC3(CCC3)[C@@H]2C2CC2)cs1 ZINC000449334123 388174893 /nfs/dbraw/zinc/17/48/93/388174893.db2.gz IHWQTRPRXCADMG-AWEZNQCLSA-N 0 3 247.407 3.821 20 0 BHADHN Cc1cc(CN2CC3(CCC3)[C@H]2C2CC2)cs1 ZINC000449334124 388175039 /nfs/dbraw/zinc/17/50/39/388175039.db2.gz IHWQTRPRXCADMG-CQSZACIVSA-N 0 3 247.407 3.821 20 0 BHADHN CC[C@H]1CC[C@H](NCc2ncc(C)s2)CC1 ZINC000449338694 388176334 /nfs/dbraw/zinc/17/63/34/388176334.db2.gz HEKCYAOHPXMUCC-HAQNSBGRSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@H]1CCN1C[C@H](C)c1cc(F)cc(F)c1 ZINC000449341833 388177279 /nfs/dbraw/zinc/17/72/79/388177279.db2.gz WWPDMUCFWICDIF-HZMBPMFUSA-N 0 3 239.309 3.553 20 0 BHADHN CC[C@@H]1CCN1C[C@H](C)c1cc(F)cc(F)c1 ZINC000449341834 388176876 /nfs/dbraw/zinc/17/68/76/388176876.db2.gz WWPDMUCFWICDIF-IINYFYTJSA-N 0 3 239.309 3.553 20 0 BHADHN CC[C@@H]1CCN1C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449341835 388177046 /nfs/dbraw/zinc/17/70/46/388177046.db2.gz WWPDMUCFWICDIF-QMTHXVAHSA-N 0 3 239.309 3.553 20 0 BHADHN CC[C@H]1CCN1C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449341836 388177041 /nfs/dbraw/zinc/17/70/41/388177041.db2.gz WWPDMUCFWICDIF-YGRLFVJLSA-N 0 3 239.309 3.553 20 0 BHADHN C[C@]1(F)CCCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000449347028 388177721 /nfs/dbraw/zinc/17/77/21/388177721.db2.gz AXRVNTIBQUDQJV-JYJNAYRXSA-N 0 3 247.357 3.614 20 0 BHADHN C[C@]1(F)CCCN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000449347029 388178004 /nfs/dbraw/zinc/17/80/04/388178004.db2.gz AXRVNTIBQUDQJV-OAGGEKHMSA-N 0 3 247.357 3.614 20 0 BHADHN C[C@]1(F)CCCN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000449347030 388177901 /nfs/dbraw/zinc/17/79/01/388177901.db2.gz AXRVNTIBQUDQJV-PMPSAXMXSA-N 0 3 247.357 3.614 20 0 BHADHN C[C@]1(F)CCCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000449347031 388177658 /nfs/dbraw/zinc/17/76/58/388177658.db2.gz AXRVNTIBQUDQJV-XHSDSOJGSA-N 0 3 247.357 3.614 20 0 BHADHN CC(F)(F)CCNCc1cccc2ccoc21 ZINC000449353398 201878814 /nfs/dbraw/zinc/87/88/14/201878814.db2.gz AYLTWFWXEVKBAO-UHFFFAOYSA-N 0 3 239.265 3.568 20 0 BHADHN CCCc1cccc(CNCCC(C)(F)F)c1 ZINC000449354321 388179778 /nfs/dbraw/zinc/17/97/78/388179778.db2.gz MIJNRPLGOLRXAP-UHFFFAOYSA-N 0 3 241.325 3.774 20 0 BHADHN CCc1cccc(F)c1CNCCC(C)(F)F ZINC000449354990 383960525 /nfs/dbraw/zinc/96/05/25/383960525.db2.gz UECQJNRFTLEFGS-UHFFFAOYSA-N 0 3 245.288 3.523 20 0 BHADHN Cc1cc(CNCCC(C)(F)F)ccc1Cl ZINC000449355316 388181058 /nfs/dbraw/zinc/18/10/58/388181058.db2.gz XYSBRXOUFVFRDQ-UHFFFAOYSA-N 0 3 247.716 3.783 20 0 BHADHN c1cc(C2CCC2)ccc1CN1CC2(CC2)C1 ZINC000449369552 398291831 /nfs/dbraw/zinc/29/18/31/398291831.db2.gz DITMKEBCRMHPAY-UHFFFAOYSA-N 0 3 227.351 3.550 20 0 BHADHN C[C@H](NC1CC(C)(F)C1)c1ccc(Cl)cc1 ZINC000449369586 201887439 /nfs/dbraw/zinc/88/74/39/201887439.db2.gz FAAJBFJEJDTNML-ALXWSUNGSA-N 0 3 241.737 3.881 20 0 BHADHN C[C@@H](NC1CC(C)(F)C1)c1ccc(Cl)cc1 ZINC000449369587 388184339 /nfs/dbraw/zinc/18/43/39/388184339.db2.gz FAAJBFJEJDTNML-UHEGKEBESA-N 0 3 241.737 3.881 20 0 BHADHN CCc1oc2ccccc2c1CN1CC2(CC2)C1 ZINC000449370533 398292279 /nfs/dbraw/zinc/29/22/79/398292279.db2.gz KYIQJCREKAOGKV-UHFFFAOYSA-N 0 3 241.334 3.591 20 0 BHADHN Cc1oc2ccccc2c1CNC1CC(C)(F)C1 ZINC000449370820 388184130 /nfs/dbraw/zinc/18/41/30/388184130.db2.gz NDSZOXABOVMTBF-UHFFFAOYSA-N 0 3 247.313 3.721 20 0 BHADHN C[C@H](NCc1cc(C2CC2)ccc1F)C1CC1 ZINC000449372659 388185470 /nfs/dbraw/zinc/18/54/70/388185470.db2.gz KHRAVAXEAGOINI-JTQLQIEISA-N 0 3 233.330 3.591 20 0 BHADHN C[C@@H](NCc1cc(C2CC2)ccc1F)C1CC1 ZINC000449372660 388185161 /nfs/dbraw/zinc/18/51/61/388185161.db2.gz KHRAVAXEAGOINI-SNVBAGLBSA-N 0 3 233.330 3.591 20 0 BHADHN Cc1cc([C@@H](C)NCc2ccccc2)ccc1F ZINC000449373140 388185268 /nfs/dbraw/zinc/18/52/68/388185268.db2.gz OLKHIHOUMNMIMD-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1cc(Cl)cc(CNC2CC(C)(F)C2)c1 ZINC000449374902 200667912 /nfs/dbraw/zinc/66/79/12/200667912.db2.gz DCZKLGIDSMNZOX-UHFFFAOYSA-N 0 3 241.737 3.629 20 0 BHADHN Cc1ccc(CNC2CC(C)(F)C2)cc1Cl ZINC000449376833 388186868 /nfs/dbraw/zinc/18/68/68/388186868.db2.gz PYKGVBAJWONNGA-UHFFFAOYSA-N 0 3 241.737 3.629 20 0 BHADHN Cc1cc(Cl)ccc1CNC1CC(C)(F)C1 ZINC000449376995 384068743 /nfs/dbraw/zinc/06/87/43/384068743.db2.gz QRLHQOXVKMEBBF-UHFFFAOYSA-N 0 3 241.737 3.629 20 0 BHADHN Cc1cc(CNC2CC(C)(F)C2)ccc1Cl ZINC000449376996 384067896 /nfs/dbraw/zinc/06/78/96/384067896.db2.gz QRXWWXREOUKRAN-UHFFFAOYSA-N 0 3 241.737 3.629 20 0 BHADHN CC[C@H](NC1CC(C)(F)C1)c1ccccc1F ZINC000449377383 388186721 /nfs/dbraw/zinc/18/67/21/388186721.db2.gz SRVCRBSODCEBDP-AWAWDMARSA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@@H](NC1CC(C)(F)C1)c1ccccc1F ZINC000449377384 388187224 /nfs/dbraw/zinc/18/72/24/388187224.db2.gz SRVCRBSODCEBDP-IWXRYERYSA-N 0 3 239.309 3.757 20 0 BHADHN c1nc(C2CC2)c(CNCC2=CCCCC2)s1 ZINC000449378428 398295879 /nfs/dbraw/zinc/29/58/79/398295879.db2.gz WKPUXDLFHSMUMA-UHFFFAOYSA-N 0 3 248.395 3.611 20 0 BHADHN CCC1(NCc2ccc(C(F)(F)F)s2)CC1 ZINC000449412179 388198254 /nfs/dbraw/zinc/19/82/54/388198254.db2.gz FBDCIXKJANNOJR-UHFFFAOYSA-N 0 3 249.301 3.799 20 0 BHADHN CCC1(NCc2cscc2C(F)(F)F)CC1 ZINC000449416125 388198971 /nfs/dbraw/zinc/19/89/71/388198971.db2.gz SDVWNGFTHUHCRU-UHFFFAOYSA-N 0 3 249.301 3.799 20 0 BHADHN CCC1(NCc2cc3cc(F)ccc3o2)CC1 ZINC000449417795 384305087 /nfs/dbraw/zinc/30/50/87/384305087.db2.gz ZQIOSRZSBWPURU-UHFFFAOYSA-N 0 3 233.286 3.604 20 0 BHADHN CCC1CC(N[C@@H]2C[C@@H](C)Oc3ccccc32)C1 ZINC000449426375 206098107 /nfs/dbraw/zinc/09/81/07/206098107.db2.gz PAWURGKFEXCUOL-XZNOPERXSA-N 0 3 245.366 3.677 20 0 BHADHN Fc1ccc2oc(CN3CC[C@H]3C3CC3)cc2c1 ZINC000449430158 388203991 /nfs/dbraw/zinc/20/39/91/388203991.db2.gz WVKWZIYNWPNRKE-AWEZNQCLSA-N 0 3 245.297 3.556 20 0 BHADHN Fc1ccc2oc(CN3CC[C@@H]3C3CC3)cc2c1 ZINC000449430159 384397668 /nfs/dbraw/zinc/39/76/68/384397668.db2.gz WVKWZIYNWPNRKE-CQSZACIVSA-N 0 3 245.297 3.556 20 0 BHADHN CC(C)CCn1cccc1CN1CC[C@H]1C1CC1 ZINC000449430554 388204187 /nfs/dbraw/zinc/20/41/87/388204187.db2.gz XXVUQPHFDKLHQR-INIZCTEOSA-N 0 3 246.398 3.519 20 0 BHADHN CC(C)CCn1cccc1CN1CC[C@@H]1C1CC1 ZINC000449430555 388203614 /nfs/dbraw/zinc/20/36/14/388203614.db2.gz XXVUQPHFDKLHQR-MRXNPFEDSA-N 0 3 246.398 3.519 20 0 BHADHN CC(C)C[C@@]1(C)CCCN1Cc1cscn1 ZINC000449432385 388204631 /nfs/dbraw/zinc/20/46/31/388204631.db2.gz HHESDAACZRPJQF-CYBMUJFWSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)C[C@]1(C)CCCN1Cc1cscn1 ZINC000449432386 388204702 /nfs/dbraw/zinc/20/47/02/388204702.db2.gz HHESDAACZRPJQF-ZDUSSCGKSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)C[C@@]1(C)CCCN1Cc1nccs1 ZINC000449433786 384459087 /nfs/dbraw/zinc/45/90/87/384459087.db2.gz NVKQFFFHJYWBMQ-CYBMUJFWSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)C[C@]1(C)CCCN1Cc1nccs1 ZINC000449433787 384460289 /nfs/dbraw/zinc/46/02/89/384460289.db2.gz NVKQFFFHJYWBMQ-ZDUSSCGKSA-N 0 3 238.400 3.544 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1ccc(C)cn1 ZINC000449440790 388207023 /nfs/dbraw/zinc/20/70/23/388207023.db2.gz DFHREBQQENVHER-AWEZNQCLSA-N 0 3 232.371 3.615 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1ccc(C)cn1 ZINC000449440791 388207075 /nfs/dbraw/zinc/20/70/75/388207075.db2.gz DFHREBQQENVHER-CQSZACIVSA-N 0 3 232.371 3.615 20 0 BHADHN FCC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000449450319 388209407 /nfs/dbraw/zinc/20/94/07/388209407.db2.gz BCROIDPFKCYMCA-UHFFFAOYSA-N 0 3 247.313 3.614 20 0 BHADHN CC/C=C\CNCc1ccc(SC)s1 ZINC000449450401 388209232 /nfs/dbraw/zinc/20/92/32/388209232.db2.gz BIOYWINPTJLDRK-PLNGDYQASA-N 0 3 227.398 3.526 20 0 BHADHN CC/C=C/CNCc1ccc(SC)s1 ZINC000449450402 388209189 /nfs/dbraw/zinc/20/91/89/388209189.db2.gz BIOYWINPTJLDRK-SNAWJCMRSA-N 0 3 227.398 3.526 20 0 BHADHN FCC1CCN(Cc2ccc3occc3c2)CC1 ZINC000449452577 388209102 /nfs/dbraw/zinc/20/91/02/388209102.db2.gz GIHFSMHLOKUTDQ-UHFFFAOYSA-N 0 3 247.313 3.614 20 0 BHADHN CC/C=C\CNC/C=C/c1ccc(F)cc1F ZINC000449453624 388209308 /nfs/dbraw/zinc/20/93/08/388209308.db2.gz IFDVITCKFDAUER-DNVGVPOPSA-N 0 3 237.293 3.534 20 0 BHADHN CC/C=C/CNC/C=C\c1ccc(F)cc1F ZINC000449453625 388209493 /nfs/dbraw/zinc/20/94/93/388209493.db2.gz IFDVITCKFDAUER-ICWBMWKASA-N 0 3 237.293 3.534 20 0 BHADHN CC/C=C\CNC/C=C\c1ccc(F)cc1F ZINC000449453626 201930279 /nfs/dbraw/zinc/93/02/79/201930279.db2.gz IFDVITCKFDAUER-OUPQRBNQSA-N 0 3 237.293 3.534 20 0 BHADHN CC/C=C/CNC/C=C/c1ccc(F)cc1F ZINC000449453627 388209272 /nfs/dbraw/zinc/20/92/72/388209272.db2.gz IFDVITCKFDAUER-VNKDHWASSA-N 0 3 237.293 3.534 20 0 BHADHN CC/C=C\CNC/C=C/c1ccc(F)c(F)c1 ZINC000449455699 388210337 /nfs/dbraw/zinc/21/03/37/388210337.db2.gz LOEKJSSEIJXBHA-DNVGVPOPSA-N 0 3 237.293 3.534 20 0 BHADHN CC/C=C/CNC/C=C\c1ccc(F)c(F)c1 ZINC000449455700 388210093 /nfs/dbraw/zinc/21/00/93/388210093.db2.gz LOEKJSSEIJXBHA-ICWBMWKASA-N 0 3 237.293 3.534 20 0 BHADHN CC/C=C\CNC/C=C\c1ccc(F)c(F)c1 ZINC000449455701 388210184 /nfs/dbraw/zinc/21/01/84/388210184.db2.gz LOEKJSSEIJXBHA-OUPQRBNQSA-N 0 3 237.293 3.534 20 0 BHADHN CC/C=C/CNC/C=C/c1ccc(F)c(F)c1 ZINC000449455702 388209894 /nfs/dbraw/zinc/20/98/94/388209894.db2.gz LOEKJSSEIJXBHA-VNKDHWASSA-N 0 3 237.293 3.534 20 0 BHADHN CC/C=C\CNCc1ccc2nc(C)sc2c1 ZINC000449456999 384666424 /nfs/dbraw/zinc/66/64/24/384666424.db2.gz MYOJYKZHEXHWHJ-PLNGDYQASA-N 0 3 246.379 3.661 20 0 BHADHN CC/C=C/CNCc1ccc2nc(C)sc2c1 ZINC000449457001 384667821 /nfs/dbraw/zinc/66/78/21/384667821.db2.gz MYOJYKZHEXHWHJ-SNAWJCMRSA-N 0 3 246.379 3.661 20 0 BHADHN FCC1CCN(Cc2coc3ccccc23)CC1 ZINC000449458263 388211005 /nfs/dbraw/zinc/21/10/05/388211005.db2.gz OVJLLUDYZBNWBG-UHFFFAOYSA-N 0 3 247.313 3.614 20 0 BHADHN C/C(=C/c1ccccc1)CN1CCC(CF)CC1 ZINC000449460379 388211139 /nfs/dbraw/zinc/21/11/39/388211139.db2.gz RQCLKFLILNEDRX-KAMYIIQDSA-N 0 3 247.357 3.771 20 0 BHADHN C/C(=C\c1ccccc1)CN1CCC(CF)CC1 ZINC000449460380 388210902 /nfs/dbraw/zinc/21/09/02/388210902.db2.gz RQCLKFLILNEDRX-SDNWHVSQSA-N 0 3 247.357 3.771 20 0 BHADHN FCC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000449460710 388211058 /nfs/dbraw/zinc/21/10/58/388211058.db2.gz RRRHDNGLBADEED-UHFFFAOYSA-N 0 3 241.737 3.522 20 0 BHADHN Cc1cc(CN2CCC(CF)CC2)c(C)s1 ZINC000449460723 388211254 /nfs/dbraw/zinc/21/12/54/388211254.db2.gz RUQUKPPEEBUMJL-UHFFFAOYSA-N 0 3 241.375 3.546 20 0 BHADHN CC/C=C\CNCc1cscc1C(F)(F)F ZINC000449461067 388210855 /nfs/dbraw/zinc/21/08/55/388210855.db2.gz SFYWBDLIGMBXAH-ARJAWSKDSA-N 0 3 249.301 3.823 20 0 BHADHN CC/C=C/CNCc1cscc1C(F)(F)F ZINC000449461068 388210951 /nfs/dbraw/zinc/21/09/51/388210951.db2.gz SFYWBDLIGMBXAH-ONEGZZNKSA-N 0 3 249.301 3.823 20 0 BHADHN CC/C=C\CNCc1cc(C)c2ncccc2c1 ZINC000449461105 384728456 /nfs/dbraw/zinc/72/84/56/384728456.db2.gz SIWWPZWRJCDIKR-PLNGDYQASA-N 0 3 240.350 3.599 20 0 BHADHN CC/C=C/CNCc1cc(C)c2ncccc2c1 ZINC000449461106 200683162 /nfs/dbraw/zinc/68/31/62/200683162.db2.gz SIWWPZWRJCDIKR-SNAWJCMRSA-N 0 3 240.350 3.599 20 0 BHADHN FCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000449461465 388210793 /nfs/dbraw/zinc/21/07/93/388210793.db2.gz SVYJWPWQORJEDC-UHFFFAOYSA-N 0 3 241.737 3.522 20 0 BHADHN FCC1CCN(Cc2ccccc2Cl)CC1 ZINC000449461849 388211278 /nfs/dbraw/zinc/21/12/78/388211278.db2.gz UBNMADAQLYGPOW-UHFFFAOYSA-N 0 3 241.737 3.522 20 0 BHADHN CC/C=C\CNCc1ccc(C(F)(F)F)s1 ZINC000449464758 388212036 /nfs/dbraw/zinc/21/20/36/388212036.db2.gz ZERWNCAWPNICSM-ARJAWSKDSA-N 0 3 249.301 3.823 20 0 BHADHN CC/C=C/CNCc1ccc(C(F)(F)F)s1 ZINC000449464759 388211921 /nfs/dbraw/zinc/21/19/21/388211921.db2.gz ZERWNCAWPNICSM-ONEGZZNKSA-N 0 3 249.301 3.823 20 0 BHADHN CCC[C@@H](NCc1ccncc1F)C(C)(C)C ZINC000449469785 388212891 /nfs/dbraw/zinc/21/28/91/388212891.db2.gz NDWFBHDFIWXIFU-CYBMUJFWSA-N 0 3 238.350 3.525 20 0 BHADHN CCC[C@H](NCc1ccncc1F)C(C)(C)C ZINC000449469786 388212455 /nfs/dbraw/zinc/21/24/55/388212455.db2.gz NDWFBHDFIWXIFU-ZDUSSCGKSA-N 0 3 238.350 3.525 20 0 BHADHN CCC[C@@H](NCc1nc(C)cs1)C(C)(C)C ZINC000449474058 388213636 /nfs/dbraw/zinc/21/36/36/388213636.db2.gz RKZBBVCVUBFQGO-LLVKDONJSA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@H](NCc1nc(C)cs1)C(C)(C)C ZINC000449474059 388213950 /nfs/dbraw/zinc/21/39/50/388213950.db2.gz RKZBBVCVUBFQGO-NSHDSACASA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@@H](NCc1csc(C)n1)C(C)(C)C ZINC000449476642 388214298 /nfs/dbraw/zinc/21/42/98/388214298.db2.gz VUEFLMHQMGXZLU-GFCCVEGCSA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@H](NCc1csc(C)n1)C(C)(C)C ZINC000449476643 201936941 /nfs/dbraw/zinc/93/69/41/201936941.db2.gz VUEFLMHQMGXZLU-LBPRGKRZSA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@@H](NCc1ncc(C)s1)C(C)(C)C ZINC000449478260 388214482 /nfs/dbraw/zinc/21/44/82/388214482.db2.gz YEXJXNMENAFGQW-LLVKDONJSA-N 0 3 240.416 3.756 20 0 BHADHN CCC[C@H](NCc1ncc(C)s1)C(C)(C)C ZINC000449478261 388214435 /nfs/dbraw/zinc/21/44/35/388214435.db2.gz YEXJXNMENAFGQW-NSHDSACASA-N 0 3 240.416 3.756 20 0 BHADHN Clc1ccc(CNC23CCC(CC2)CC3)o1 ZINC000449531477 388225043 /nfs/dbraw/zinc/22/50/43/388225043.db2.gz DJOUITBESBWPCK-UHFFFAOYSA-N 0 3 239.746 3.745 20 0 BHADHN Cc1ccc(CN2C[C@H](C(C)C)[C@@H]2C(C)C)cn1 ZINC000449550664 398301810 /nfs/dbraw/zinc/30/18/10/398301810.db2.gz DQVAJTUPUZAXFE-CVEARBPZSA-N 0 3 246.398 3.502 20 0 BHADHN Cc1ccc(CN2C[C@@H](C(C)C)[C@@H]2C(C)C)cn1 ZINC000449550665 398301787 /nfs/dbraw/zinc/30/17/87/398301787.db2.gz DQVAJTUPUZAXFE-HOTGVXAUSA-N 0 3 246.398 3.502 20 0 BHADHN Cc1ccc(CN2C[C@H](C(C)C)[C@H]2C(C)C)cn1 ZINC000449550666 398301573 /nfs/dbraw/zinc/30/15/73/398301573.db2.gz DQVAJTUPUZAXFE-HZPDHXFCSA-N 0 3 246.398 3.502 20 0 BHADHN Cc1ccc(CN2C[C@@H](C(C)C)[C@H]2C(C)C)cn1 ZINC000449550667 398302177 /nfs/dbraw/zinc/30/21/77/398302177.db2.gz DQVAJTUPUZAXFE-JKSUJKDBSA-N 0 3 246.398 3.502 20 0 BHADHN Cc1ccc(CN2C[C@H](C(C)C)[C@@H]2C(C)C)nc1 ZINC000449552641 388230658 /nfs/dbraw/zinc/23/06/58/388230658.db2.gz JQFKLCHZSOBYLL-CVEARBPZSA-N 0 3 246.398 3.502 20 0 BHADHN Cc1ccc(CN2C[C@@H](C(C)C)[C@@H]2C(C)C)nc1 ZINC000449552643 388230634 /nfs/dbraw/zinc/23/06/34/388230634.db2.gz JQFKLCHZSOBYLL-HOTGVXAUSA-N 0 3 246.398 3.502 20 0 BHADHN Cc1ccc(CN2C[C@H](C(C)C)[C@H]2C(C)C)nc1 ZINC000449552645 388230221 /nfs/dbraw/zinc/23/02/21/388230221.db2.gz JQFKLCHZSOBYLL-HZPDHXFCSA-N 0 3 246.398 3.502 20 0 BHADHN Cc1ccc(CN2C[C@@H](C(C)C)[C@H]2C(C)C)nc1 ZINC000449552647 388230338 /nfs/dbraw/zinc/23/03/38/388230338.db2.gz JQFKLCHZSOBYLL-JKSUJKDBSA-N 0 3 246.398 3.502 20 0 BHADHN CCn1ccnc1[C@@H](C)N[C@@H]1CCCCC1(C)C ZINC000449561126 388232941 /nfs/dbraw/zinc/23/29/41/388232941.db2.gz ATCNGGVNFZOKJG-CHWSQXEVSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@@H](C)N[C@H]1CCCCC1(C)C ZINC000449561127 388232508 /nfs/dbraw/zinc/23/25/08/388232508.db2.gz ATCNGGVNFZOKJG-OLZOCXBDSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@@H]1CCCCC1(C)C ZINC000449561128 388233161 /nfs/dbraw/zinc/23/31/61/388233161.db2.gz ATCNGGVNFZOKJG-QWHCGFSZSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@H]1CCCCC1(C)C ZINC000449561129 388233222 /nfs/dbraw/zinc/23/32/22/388233222.db2.gz ATCNGGVNFZOKJG-STQMWFEESA-N 0 3 249.402 3.522 20 0 BHADHN CCC1CCC(N[C@@H](C)c2nccn2CC)CC1 ZINC000449561359 201967229 /nfs/dbraw/zinc/96/72/29/201967229.db2.gz BWYBLTOLJHGBAF-HSBZDZAISA-N 0 3 249.402 3.522 20 0 BHADHN CCC1CCC(N[C@H](C)c2nccn2CC)CC1 ZINC000449561360 201967565 /nfs/dbraw/zinc/96/75/65/201967565.db2.gz BWYBLTOLJHGBAF-IYXRBSQSSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@@H](C)NC1CCC(C)(C)CC1 ZINC000449561789 388232932 /nfs/dbraw/zinc/23/29/32/388232932.db2.gz FEYWOJZKEKHWKH-GFCCVEGCSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)NC1CCC(C)(C)CC1 ZINC000449561790 388232636 /nfs/dbraw/zinc/23/26/36/388232636.db2.gz FEYWOJZKEKHWKH-LBPRGKRZSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@@H](C)N[C@@H]1CCCC(C)(C)C1 ZINC000449561980 388233208 /nfs/dbraw/zinc/23/32/08/388233208.db2.gz GENZBONGDRUJLD-CHWSQXEVSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@@H](C)N[C@H]1CCCC(C)(C)C1 ZINC000449561981 388232945 /nfs/dbraw/zinc/23/29/45/388232945.db2.gz GENZBONGDRUJLD-OLZOCXBDSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@@H]1CCCC(C)(C)C1 ZINC000449561982 388232528 /nfs/dbraw/zinc/23/25/28/388232528.db2.gz GENZBONGDRUJLD-QWHCGFSZSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@H]1CCCC(C)(C)C1 ZINC000449561983 388232999 /nfs/dbraw/zinc/23/29/99/388232999.db2.gz GENZBONGDRUJLD-STQMWFEESA-N 0 3 249.402 3.522 20 0 BHADHN CCCC(CCC)N[C@H](C)c1nccn1CC ZINC000449562155 388232752 /nfs/dbraw/zinc/23/27/52/388232752.db2.gz HMMQROJWFZEILK-GFCCVEGCSA-N 0 3 237.391 3.522 20 0 BHADHN CCCC(CCC)N[C@@H](C)c1nccn1CC ZINC000449562156 388233088 /nfs/dbraw/zinc/23/30/88/388233088.db2.gz HMMQROJWFZEILK-LBPRGKRZSA-N 0 3 237.391 3.522 20 0 BHADHN CCn1ccnc1[C@@H](C)NCC1CCCCCC1 ZINC000449562395 388232721 /nfs/dbraw/zinc/23/27/21/388232721.db2.gz KEKPZFBQAWHVNS-CYBMUJFWSA-N 0 3 249.402 3.524 20 0 BHADHN CCn1ccnc1[C@H](C)NCC1CCCCCC1 ZINC000449562396 388232981 /nfs/dbraw/zinc/23/29/81/388232981.db2.gz KEKPZFBQAWHVNS-ZDUSSCGKSA-N 0 3 249.402 3.524 20 0 BHADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2nccn2CC)C1 ZINC000449562474 388232626 /nfs/dbraw/zinc/23/26/26/388232626.db2.gz LBNWCUVQGXVJPV-BFHYXJOUSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2nccn2CC)C1 ZINC000449562475 388232828 /nfs/dbraw/zinc/23/28/28/388232828.db2.gz LBNWCUVQGXVJPV-MCIONIFRSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2nccn2CC)C1 ZINC000449562476 388232824 /nfs/dbraw/zinc/23/28/24/388232824.db2.gz LBNWCUVQGXVJPV-MGPQQGTHSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2nccn2CC)C1 ZINC000449562477 388233175 /nfs/dbraw/zinc/23/31/75/388233175.db2.gz LBNWCUVQGXVJPV-MJBXVCDLSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@@H](C)N[C@H](C)CC1CCCC1 ZINC000449562588 388232840 /nfs/dbraw/zinc/23/28/40/388232840.db2.gz MFCGUBJMTBBPTP-CHWSQXEVSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@H](C)CC1CCCC1 ZINC000449562589 201970648 /nfs/dbraw/zinc/97/06/48/201970648.db2.gz MFCGUBJMTBBPTP-OLZOCXBDSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@@H](C)N[C@@H](C)CC1CCCC1 ZINC000449562590 384536491 /nfs/dbraw/zinc/53/64/91/384536491.db2.gz MFCGUBJMTBBPTP-QWHCGFSZSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@@H](C)CC1CCCC1 ZINC000449562591 384535891 /nfs/dbraw/zinc/53/58/91/384535891.db2.gz MFCGUBJMTBBPTP-STQMWFEESA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@@H](C)NCCC1CCCCC1 ZINC000449563311 388234043 /nfs/dbraw/zinc/23/40/43/388234043.db2.gz UFBIUIIJBDWNQI-CYBMUJFWSA-N 0 3 249.402 3.524 20 0 BHADHN CCn1ccnc1[C@H](C)NCCC1CCCCC1 ZINC000449563312 388234000 /nfs/dbraw/zinc/23/40/00/388234000.db2.gz UFBIUIIJBDWNQI-ZDUSSCGKSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@@H](CC)N[C@H](C)c1nccn1CC ZINC000449563628 388234258 /nfs/dbraw/zinc/23/42/58/388234258.db2.gz XCXASXMVGBHQQT-CHWSQXEVSA-N 0 3 237.391 3.522 20 0 BHADHN CCCC[C@H](CC)N[C@H](C)c1nccn1CC ZINC000449563629 388233744 /nfs/dbraw/zinc/23/37/44/388233744.db2.gz XCXASXMVGBHQQT-OLZOCXBDSA-N 0 3 237.391 3.522 20 0 BHADHN CCCC[C@@H](CC)N[C@@H](C)c1nccn1CC ZINC000449563630 388234031 /nfs/dbraw/zinc/23/40/31/388234031.db2.gz XCXASXMVGBHQQT-QWHCGFSZSA-N 0 3 237.391 3.522 20 0 BHADHN CCCC[C@H](CC)N[C@@H](C)c1nccn1CC ZINC000449563631 388233813 /nfs/dbraw/zinc/23/38/13/388233813.db2.gz XCXASXMVGBHQQT-STQMWFEESA-N 0 3 237.391 3.522 20 0 BHADHN CCn1ccnc1[C@@H](C)N[C@H](C)C1CCCCC1 ZINC000449563779 388233817 /nfs/dbraw/zinc/23/38/17/388233817.db2.gz YJLVIESEXFTSTR-CHWSQXEVSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@H](C)C1CCCCC1 ZINC000449563780 388233901 /nfs/dbraw/zinc/23/39/01/388233901.db2.gz YJLVIESEXFTSTR-OLZOCXBDSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@@H](C)N[C@@H](C)C1CCCCC1 ZINC000449563781 388234006 /nfs/dbraw/zinc/23/40/06/388234006.db2.gz YJLVIESEXFTSTR-QWHCGFSZSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@@H](C)C1CCCCC1 ZINC000449563782 388233897 /nfs/dbraw/zinc/23/38/97/388233897.db2.gz YJLVIESEXFTSTR-STQMWFEESA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H](N[C@@H](C)c1nccn1CC)C1CCCC1 ZINC000449565732 388233548 /nfs/dbraw/zinc/23/35/48/388233548.db2.gz KLIGUNYWXDNHAX-GXTWGEPZSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H](N[C@@H](C)c1nccn1CC)C1CCCC1 ZINC000449565733 388234115 /nfs/dbraw/zinc/23/41/15/388234115.db2.gz KLIGUNYWXDNHAX-JSGCOSHPSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H](N[C@H](C)c1nccn1CC)C1CCCC1 ZINC000449565734 388233976 /nfs/dbraw/zinc/23/39/76/388233976.db2.gz KLIGUNYWXDNHAX-OCCSQVGLSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H](N[C@H](C)c1nccn1CC)C1CCCC1 ZINC000449565735 388233507 /nfs/dbraw/zinc/23/35/07/388233507.db2.gz KLIGUNYWXDNHAX-TZMCWYRMSA-N 0 3 249.402 3.522 20 0 BHADHN CCCC[C@H](C)[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000449568341 388234664 /nfs/dbraw/zinc/23/46/64/388234664.db2.gz AYHXOYMZSWRIJE-CRWXNKLISA-N 0 3 249.402 3.693 20 0 BHADHN CCCC[C@H](C)[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000449568342 388235237 /nfs/dbraw/zinc/23/52/37/388235237.db2.gz AYHXOYMZSWRIJE-RFQIPJPRSA-N 0 3 249.402 3.693 20 0 BHADHN CCCC[C@H](C)[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000449568343 388234600 /nfs/dbraw/zinc/23/46/00/388234600.db2.gz AYHXOYMZSWRIJE-XDQVBPFNSA-N 0 3 249.402 3.693 20 0 BHADHN CCCC[C@H](C)[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000449568344 388234615 /nfs/dbraw/zinc/23/46/15/388234615.db2.gz AYHXOYMZSWRIJE-XUXIUFHCSA-N 0 3 249.402 3.693 20 0 BHADHN CC[C@H](C)C[C@H](CC)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000449575250 388236691 /nfs/dbraw/zinc/23/66/91/388236691.db2.gz XGWYYPIQLUJRDR-CRWXNKLISA-N 0 3 249.402 3.693 20 0 BHADHN CC[C@H](C)C[C@H](CC)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000449575251 388236765 /nfs/dbraw/zinc/23/67/65/388236765.db2.gz XGWYYPIQLUJRDR-RFQIPJPRSA-N 0 3 249.402 3.693 20 0 BHADHN CC[C@H](C)C[C@H](CC)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000449575252 388236631 /nfs/dbraw/zinc/23/66/31/388236631.db2.gz XGWYYPIQLUJRDR-XDQVBPFNSA-N 0 3 249.402 3.693 20 0 BHADHN CC[C@H](C)C[C@H](CC)N[C@H]1C[C@H](C)n2ccnc21 ZINC000449575253 388236780 /nfs/dbraw/zinc/23/67/80/388236780.db2.gz XGWYYPIQLUJRDR-XUXIUFHCSA-N 0 3 249.402 3.693 20 0 BHADHN CCCC[C@@H](C)[C@H](C)NCc1cnc(CC)o1 ZINC000449607103 384700710 /nfs/dbraw/zinc/70/07/10/384700710.db2.gz AACSNQPZFMJMJZ-NEPJUHHUSA-N 0 3 238.375 3.541 20 0 BHADHN CCCC[C@H](C)[C@@H](C)NCc1cnc(CC)o1 ZINC000449607104 384702473 /nfs/dbraw/zinc/70/24/73/384702473.db2.gz AACSNQPZFMJMJZ-NWDGAFQWSA-N 0 3 238.375 3.541 20 0 BHADHN CCCC[C@H](C)[C@H](C)NCc1cnc(CC)o1 ZINC000449607105 384701138 /nfs/dbraw/zinc/70/11/38/384701138.db2.gz AACSNQPZFMJMJZ-RYUDHWBXSA-N 0 3 238.375 3.541 20 0 BHADHN CCCC[C@@H](C)[C@@H](C)NCc1cnc(CC)o1 ZINC000449607106 384702365 /nfs/dbraw/zinc/70/23/65/384702365.db2.gz AACSNQPZFMJMJZ-VXGBXAGGSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1ncc(CN[C@H](C)CCCC(C)C)o1 ZINC000449607808 388241203 /nfs/dbraw/zinc/24/12/03/388241203.db2.gz CHCSUNNPOPAEIA-GFCCVEGCSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1ncc(CN[C@@H](C)CCCC(C)C)o1 ZINC000449607809 388241672 /nfs/dbraw/zinc/24/16/72/388241672.db2.gz CHCSUNNPOPAEIA-LBPRGKRZSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1ncc(CNCC(CC)(CC)CC)o1 ZINC000449608351 384712817 /nfs/dbraw/zinc/71/28/17/384712817.db2.gz GXQYGLVSMZBANZ-UHFFFAOYSA-N 0 3 238.375 3.543 20 0 BHADHN CCc1ncc(CN[C@H](C)CCC(C)(C)C)o1 ZINC000449609170 388242154 /nfs/dbraw/zinc/24/21/54/388242154.db2.gz MOFRHEYPIKAQHQ-LLVKDONJSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1ncc(CN[C@@H](C)CCC(C)(C)C)o1 ZINC000449609171 388242121 /nfs/dbraw/zinc/24/21/21/388242121.db2.gz MOFRHEYPIKAQHQ-NSHDSACASA-N 0 3 238.375 3.541 20 0 BHADHN CCc1ncc(CN[C@@H](CC)C[C@H](C)CC)o1 ZINC000449611796 388243599 /nfs/dbraw/zinc/24/35/99/388243599.db2.gz YQPHPRDKCSHDTB-NEPJUHHUSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1ncc(CN[C@H](CC)C[C@@H](C)CC)o1 ZINC000449611797 388243264 /nfs/dbraw/zinc/24/32/64/388243264.db2.gz YQPHPRDKCSHDTB-NWDGAFQWSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1ncc(CN[C@@H](CC)C[C@@H](C)CC)o1 ZINC000449611798 388243486 /nfs/dbraw/zinc/24/34/86/388243486.db2.gz YQPHPRDKCSHDTB-RYUDHWBXSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1ncc(CN[C@H](CC)C[C@H](C)CC)o1 ZINC000449611799 388243360 /nfs/dbraw/zinc/24/33/60/388243360.db2.gz YQPHPRDKCSHDTB-VXGBXAGGSA-N 0 3 238.375 3.541 20 0 BHADHN CCCc1ncc(CN[C@H](C)CC(C)(C)C)o1 ZINC000449612013 388243729 /nfs/dbraw/zinc/24/37/29/388243729.db2.gz JGTWQLHLNATILB-LLVKDONJSA-N 0 3 238.375 3.541 20 0 BHADHN CCCc1ncc(CN[C@@H](C)CC(C)(C)C)o1 ZINC000449612014 388243677 /nfs/dbraw/zinc/24/36/77/388243677.db2.gz JGTWQLHLNATILB-NSHDSACASA-N 0 3 238.375 3.541 20 0 BHADHN CCCc1ncc(CNC(CCC)CCC)o1 ZINC000449612094 388243420 /nfs/dbraw/zinc/24/34/20/388243420.db2.gz JSAREUOESBREBT-UHFFFAOYSA-N 0 3 238.375 3.686 20 0 BHADHN CCCc1ncc(CN[C@H](C)CCC(C)C)o1 ZINC000449614055 388243700 /nfs/dbraw/zinc/24/37/00/388243700.db2.gz UKUMSENFHODDTJ-GFCCVEGCSA-N 0 3 238.375 3.541 20 0 BHADHN CCCc1ncc(CN[C@@H](C)CCC(C)C)o1 ZINC000449614056 388243770 /nfs/dbraw/zinc/24/37/70/388243770.db2.gz UKUMSENFHODDTJ-LBPRGKRZSA-N 0 3 238.375 3.541 20 0 BHADHN CCCC[C@@H](CC)NCc1cnc(CCC)o1 ZINC000449614195 388243720 /nfs/dbraw/zinc/24/37/20/388243720.db2.gz URTHWEPZGGYCSR-GFCCVEGCSA-N 0 3 238.375 3.686 20 0 BHADHN CCCC[C@H](CC)NCc1cnc(CCC)o1 ZINC000449614196 388243533 /nfs/dbraw/zinc/24/35/33/388243533.db2.gz URTHWEPZGGYCSR-LBPRGKRZSA-N 0 3 238.375 3.686 20 0 BHADHN c1coc([C@@H]2N(CC3CCCC3)CC23CCC3)c1 ZINC000449637929 388246845 /nfs/dbraw/zinc/24/68/45/388246845.db2.gz IOMFUNYEIILBRZ-HNNXBMFYSA-N 0 3 245.366 3.997 20 0 BHADHN c1coc([C@H]2N(CC3CCCC3)CC23CCC3)c1 ZINC000449637930 388246866 /nfs/dbraw/zinc/24/68/66/388246866.db2.gz IOMFUNYEIILBRZ-OAHLLOKOSA-N 0 3 245.366 3.997 20 0 BHADHN CC[C@H](C)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000449638775 388247362 /nfs/dbraw/zinc/24/73/62/388247362.db2.gz LZTQXVIDDTYDJZ-GXTWGEPZSA-N 0 3 233.355 3.853 20 0 BHADHN CC[C@H](C)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449638776 388246944 /nfs/dbraw/zinc/24/69/44/388246944.db2.gz LZTQXVIDDTYDJZ-JSGCOSHPSA-N 0 3 233.355 3.853 20 0 BHADHN CC[C@@H](C)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449638777 388247023 /nfs/dbraw/zinc/24/70/23/388247023.db2.gz LZTQXVIDDTYDJZ-OCCSQVGLSA-N 0 3 233.355 3.853 20 0 BHADHN CC[C@@H](C)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000449638778 388247286 /nfs/dbraw/zinc/24/72/86/388247286.db2.gz LZTQXVIDDTYDJZ-TZMCWYRMSA-N 0 3 233.355 3.853 20 0 BHADHN CC1(CN2CC3(CCC3)[C@@H]2c2ccco2)CCC1 ZINC000449641386 388248040 /nfs/dbraw/zinc/24/80/40/388248040.db2.gz UWTWMFOTBSAAKO-AWEZNQCLSA-N 0 3 245.366 3.997 20 0 BHADHN CC1(CN2CC3(CCC3)[C@H]2c2ccco2)CCC1 ZINC000449641387 388247912 /nfs/dbraw/zinc/24/79/12/388247912.db2.gz UWTWMFOTBSAAKO-CQSZACIVSA-N 0 3 245.366 3.997 20 0 BHADHN CC(C)CCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449644000 388248049 /nfs/dbraw/zinc/24/80/49/388248049.db2.gz ZOJAWAXUJLSOCH-AWEZNQCLSA-N 0 3 233.355 3.853 20 0 BHADHN CC(C)CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000449644001 388247777 /nfs/dbraw/zinc/24/77/77/388247777.db2.gz ZOJAWAXUJLSOCH-CQSZACIVSA-N 0 3 233.355 3.853 20 0 BHADHN c1nc(C2CC2)oc1CNCC1CCCCCC1 ZINC000449694663 202003477 /nfs/dbraw/zinc/00/34/77/202003477.db2.gz CBBFKTORHBOTHE-UHFFFAOYSA-N 0 3 248.370 3.612 20 0 BHADHN CC1(C)CCC(NCc2cnc(C3CC3)o2)CC1 ZINC000449695269 202002525 /nfs/dbraw/zinc/00/25/25/202002525.db2.gz DXNOPXBRPRFJNG-UHFFFAOYSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H]1CCC[C@H](NCc2cnc(C3CC3)o2)C1 ZINC000449698445 202003916 /nfs/dbraw/zinc/00/39/16/202003916.db2.gz NPNIDROFZYZNIJ-AAEUAGOBSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H]1CCC[C@@H](NCc2cnc(C3CC3)o2)C1 ZINC000449698446 202004660 /nfs/dbraw/zinc/00/46/60/202004660.db2.gz NPNIDROFZYZNIJ-DGCLKSJQSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H]1CCC[C@@H](NCc2cnc(C3CC3)o2)C1 ZINC000449698447 202004971 /nfs/dbraw/zinc/00/49/71/202004971.db2.gz NPNIDROFZYZNIJ-WCQYABFASA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H]1CCC[C@H](NCc2cnc(C3CC3)o2)C1 ZINC000449698448 202004152 /nfs/dbraw/zinc/00/41/52/202004152.db2.gz NPNIDROFZYZNIJ-YPMHNXCESA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H](CC1CCCC1)NCc1cnc(C2CC2)o1 ZINC000449699825 202005420 /nfs/dbraw/zinc/00/54/20/202005420.db2.gz AEWHJFGNOMWDBI-LLVKDONJSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@@H](CC1CCCC1)NCc1cnc(C2CC2)o1 ZINC000449699826 202004822 /nfs/dbraw/zinc/00/48/22/202004822.db2.gz AEWHJFGNOMWDBI-NSHDSACASA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H](NCc1cnc(C2CC2)o1)C1CCCC1 ZINC000449701292 202004400 /nfs/dbraw/zinc/00/44/00/202004400.db2.gz BQIGYTMSMGUQPM-AWEZNQCLSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H](NCc1cnc(C2CC2)o1)C1CCCC1 ZINC000449701293 202005697 /nfs/dbraw/zinc/00/56/97/202005697.db2.gz BQIGYTMSMGUQPM-CQSZACIVSA-N 0 3 248.370 3.610 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000449701352 202005011 /nfs/dbraw/zinc/00/50/11/202005011.db2.gz CBBGHXLZYCQUEH-GFCCVEGCSA-N 0 3 248.370 3.777 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1cnc(C2CC2)o1 ZINC000449701353 202005445 /nfs/dbraw/zinc/00/54/45/202005445.db2.gz CBBGHXLZYCQUEH-LBPRGKRZSA-N 0 3 248.370 3.777 20 0 BHADHN CCCC(CCC)NCc1cnc(C2CC2)o1 ZINC000449701759 202005104 /nfs/dbraw/zinc/00/51/04/202005104.db2.gz XHLZFBGQDRVGFB-UHFFFAOYSA-N 0 3 236.359 3.610 20 0 BHADHN CCC1CCC(NCc2cnc(C3CC3)o2)CC1 ZINC000449702365 202004317 /nfs/dbraw/zinc/00/43/17/202004317.db2.gz ZAYBHIIYFJBDRY-UHFFFAOYSA-N 0 3 248.370 3.610 20 0 BHADHN c1nc(C2CC2)oc1CNCCC1CCCCC1 ZINC000449704848 202005218 /nfs/dbraw/zinc/00/52/18/202005218.db2.gz IPTNJEWRXLPDRI-UHFFFAOYSA-N 0 3 248.370 3.612 20 0 BHADHN C[C@@H](NCc1cnc(C2CC2)o1)C1CCCCC1 ZINC000449706270 202007398 /nfs/dbraw/zinc/00/73/98/202007398.db2.gz MVLYUUBXDPLQMH-LLVKDONJSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H](NCc1cnc(C2CC2)o1)C1CCCCC1 ZINC000449706271 202007375 /nfs/dbraw/zinc/00/73/75/202007375.db2.gz MVLYUUBXDPLQMH-NSHDSACASA-N 0 3 248.370 3.610 20 0 BHADHN CC1(C)CCC[C@@H](NCc2cnc(C3CC3)o2)C1 ZINC000449708390 202006713 /nfs/dbraw/zinc/00/67/13/202006713.db2.gz VFSFQAOQBUDERG-GFCCVEGCSA-N 0 3 248.370 3.610 20 0 BHADHN CC1(C)CCC[C@H](NCc2cnc(C3CC3)o2)C1 ZINC000449708391 202006815 /nfs/dbraw/zinc/00/68/15/202006815.db2.gz VFSFQAOQBUDERG-LBPRGKRZSA-N 0 3 248.370 3.610 20 0 BHADHN CCCC[C@@H](CC)NCc1cnc(C2CC2)o1 ZINC000449709496 202007485 /nfs/dbraw/zinc/00/74/85/202007485.db2.gz ZNGFVZUGOFHJIH-GFCCVEGCSA-N 0 3 236.359 3.610 20 0 BHADHN CCCC[C@H](CC)NCc1cnc(C2CC2)o1 ZINC000449709497 202005935 /nfs/dbraw/zinc/00/59/35/202005935.db2.gz ZNGFVZUGOFHJIH-LBPRGKRZSA-N 0 3 236.359 3.610 20 0 BHADHN Fc1ccc([C@@H]2CCCN2CC2CC2)c(F)c1 ZINC000449733236 202010150 /nfs/dbraw/zinc/01/01/50/202010150.db2.gz OGYLFEKKXDQGHR-AWEZNQCLSA-N 0 3 237.293 3.512 20 0 BHADHN Fc1ccc([C@H]2CCCN2CC2CC2)c(F)c1 ZINC000449733240 202011257 /nfs/dbraw/zinc/01/12/57/202011257.db2.gz OGYLFEKKXDQGHR-CQSZACIVSA-N 0 3 237.293 3.512 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H]2C[C@H]2C2CC2)o1 ZINC000449739695 202016270 /nfs/dbraw/zinc/01/62/70/202016270.db2.gz CCKGGKXIZGJSBA-BQPHKTIFSA-N 0 3 245.366 3.539 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNC[C@@H]2C[C@H]2C2CC2)o1 ZINC000449739696 202015683 /nfs/dbraw/zinc/01/56/83/202015683.db2.gz CCKGGKXIZGJSBA-FATJJJSSSA-N 0 3 245.366 3.539 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNC[C@@H]2C[C@H]2C2CC2)o1 ZINC000449739697 202016336 /nfs/dbraw/zinc/01/63/36/202016336.db2.gz CCKGGKXIZGJSBA-LVGORTOPSA-N 0 3 245.366 3.539 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H]2C[C@H]2C2CC2)o1 ZINC000449739698 202015403 /nfs/dbraw/zinc/01/54/03/202015403.db2.gz CCKGGKXIZGJSBA-WCUVEOEZSA-N 0 3 245.366 3.539 20 0 BHADHN Cc1ccc(CN2CC[C@@H](CC(C)(C)C)C2)nc1 ZINC000449772135 202029221 /nfs/dbraw/zinc/02/92/21/202029221.db2.gz GPPMAEPJXPBYJH-AWEZNQCLSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN2CC[C@H](CC(C)(C)C)C2)nc1 ZINC000449772136 202030286 /nfs/dbraw/zinc/03/02/86/202030286.db2.gz GPPMAEPJXPBYJH-CQSZACIVSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN2CC[C@@H](CC(C)(C)C)C2)cn1 ZINC000449777878 202030908 /nfs/dbraw/zinc/03/09/08/202030908.db2.gz QYASIECULKBUQE-AWEZNQCLSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN2CC[C@H](CC(C)(C)C)C2)cn1 ZINC000449777879 202030945 /nfs/dbraw/zinc/03/09/45/202030945.db2.gz QYASIECULKBUQE-CQSZACIVSA-N 0 3 246.398 3.648 20 0 BHADHN CC(C)N(Cc1cncs1)C1CC(C)(C)C1 ZINC000449783316 202036354 /nfs/dbraw/zinc/03/63/54/202036354.db2.gz OCYWOOZSLWALEL-UHFFFAOYSA-N 0 3 238.400 3.542 20 0 BHADHN FC(F)(F)[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC000450213868 202098493 /nfs/dbraw/zinc/09/84/93/202098493.db2.gz GZUBVTADWHFIML-GFCCVEGCSA-N 0 3 247.304 3.761 20 0 BHADHN FC(F)(F)[C@H]1CCCN(CC2=CCCCC2)C1 ZINC000450213875 202098202 /nfs/dbraw/zinc/09/82/02/202098202.db2.gz GZUBVTADWHFIML-LBPRGKRZSA-N 0 3 247.304 3.761 20 0 BHADHN CN(CCC1=CCCCC1)Cc1ccco1 ZINC000450219007 202097954 /nfs/dbraw/zinc/09/79/54/202097954.db2.gz AZAUAWNOBUQTOD-UHFFFAOYSA-N 0 3 219.328 3.602 20 0 BHADHN CCCCN(CC)Cc1ccc(C(C)=O)cc1 ZINC000450220368 202101826 /nfs/dbraw/zinc/10/18/26/202101826.db2.gz IGPKOUCFZHHQDK-UHFFFAOYSA-N 0 3 233.355 3.511 20 0 BHADHN CN(CC/C=C/c1ccccc1)Cc1ccco1 ZINC000450221461 202100331 /nfs/dbraw/zinc/10/03/31/202100331.db2.gz SDJSNPBMPJSKCT-BJMVGYQFSA-N 0 3 241.334 3.815 20 0 BHADHN CN(CC/C=C\c1ccccc1)Cc1ccco1 ZINC000450221462 202100467 /nfs/dbraw/zinc/10/04/67/202100467.db2.gz SDJSNPBMPJSKCT-YHYXMXQVSA-N 0 3 241.334 3.815 20 0 BHADHN CCCCN(CC)Cc1cccc(C(C)=O)c1 ZINC000450221490 202100359 /nfs/dbraw/zinc/10/03/59/202100359.db2.gz SLVLOCGLKDGLGY-UHFFFAOYSA-N 0 3 233.355 3.511 20 0 BHADHN CC[C@H]1CCCCN1Cc1ccc(C(C)=O)cc1 ZINC000450237205 202104046 /nfs/dbraw/zinc/10/40/46/202104046.db2.gz KDGXUZNWQYMNNO-INIZCTEOSA-N 0 3 245.366 3.654 20 0 BHADHN CC[C@@H]1CCCCN1Cc1ccc(C(C)=O)cc1 ZINC000450237206 202104498 /nfs/dbraw/zinc/10/44/98/202104498.db2.gz KDGXUZNWQYMNNO-MRXNPFEDSA-N 0 3 245.366 3.654 20 0 BHADHN CN(Cc1cccs1)CC1=CCCCC1 ZINC000450237346 202104838 /nfs/dbraw/zinc/10/48/38/202104838.db2.gz LPTMOFMDYGUNPO-UHFFFAOYSA-N 0 3 221.369 3.680 20 0 BHADHN CC[C@H]1CCCCN1Cc1cccc(C(C)=O)c1 ZINC000450239921 202102543 /nfs/dbraw/zinc/10/25/43/202102543.db2.gz ZZNYFMKKSAAXPR-INIZCTEOSA-N 0 3 245.366 3.654 20 0 BHADHN CC[C@@H]1CCCCN1Cc1cccc(C(C)=O)c1 ZINC000450239922 202103031 /nfs/dbraw/zinc/10/30/31/202103031.db2.gz ZZNYFMKKSAAXPR-MRXNPFEDSA-N 0 3 245.366 3.654 20 0 BHADHN CC[C@H]1CCCN(Cc2ccc(C(C)=O)cc2)C1 ZINC000450241100 202104344 /nfs/dbraw/zinc/10/43/44/202104344.db2.gz IALXKZTYCZHHNX-AWEZNQCLSA-N 0 3 245.366 3.511 20 0 BHADHN CC[C@@H]1CCCN(Cc2ccc(C(C)=O)cc2)C1 ZINC000450241101 202102752 /nfs/dbraw/zinc/10/27/52/202102752.db2.gz IALXKZTYCZHHNX-CQSZACIVSA-N 0 3 245.366 3.511 20 0 BHADHN CC[C@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 ZINC000450247952 202107695 /nfs/dbraw/zinc/10/76/95/202107695.db2.gz ZYHASYAZRMCQNO-AWEZNQCLSA-N 0 3 245.366 3.511 20 0 BHADHN CC[C@@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 ZINC000450247953 202106476 /nfs/dbraw/zinc/10/64/76/202106476.db2.gz ZYHASYAZRMCQNO-CQSZACIVSA-N 0 3 245.366 3.511 20 0 BHADHN CCCN(CCC)Cc1cccc(C(C)=O)c1 ZINC000450259908 202110748 /nfs/dbraw/zinc/11/07/48/202110748.db2.gz HZMKKYUAIZPARE-UHFFFAOYSA-N 0 3 233.355 3.511 20 0 BHADHN CCCCN(Cc1cccc(C(C)=O)c1)C1CC1 ZINC000450264325 202115016 /nfs/dbraw/zinc/11/50/16/202115016.db2.gz ZGIDFTWNGRVLJJ-UHFFFAOYSA-N 0 3 245.366 3.654 20 0 BHADHN CCCN(CCC)Cc1ccc(C(C)=O)cc1 ZINC000450264381 202114441 /nfs/dbraw/zinc/11/44/41/202114441.db2.gz ZOWTVINDUQITRK-UHFFFAOYSA-N 0 3 233.355 3.511 20 0 BHADHN CCCCN(Cc1ccc(C(C)=O)cc1)C1CC1 ZINC000450264445 202114208 /nfs/dbraw/zinc/11/42/08/202114208.db2.gz ZWDKXTSLDNFTMA-UHFFFAOYSA-N 0 3 245.366 3.654 20 0 BHADHN CCC1CCN(Cc2ccc(C(C)=O)cc2)CC1 ZINC000450269107 202112739 /nfs/dbraw/zinc/11/27/39/202112739.db2.gz KKKXGGIGJUVUEN-UHFFFAOYSA-N 0 3 245.366 3.511 20 0 BHADHN CCC1CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000450270896 202116687 /nfs/dbraw/zinc/11/66/87/202116687.db2.gz UWZOJDOVDGCHAZ-UHFFFAOYSA-N 0 3 245.366 3.511 20 0 BHADHN Cc1cc([C@@H]2CCCN2CC2=CCCCC2)on1 ZINC000450272054 202117243 /nfs/dbraw/zinc/11/72/43/202117243.db2.gz VKJGDRKPJQLRBG-AWEZNQCLSA-N 0 3 246.354 3.620 20 0 BHADHN Cc1cc([C@H]2CCCN2CC2=CCCCC2)on1 ZINC000450272055 202117301 /nfs/dbraw/zinc/11/73/01/202117301.db2.gz VKJGDRKPJQLRBG-CQSZACIVSA-N 0 3 246.354 3.620 20 0 BHADHN Cc1occc1CN(C)CC1=CCCCC1 ZINC000450281272 202116572 /nfs/dbraw/zinc/11/65/72/202116572.db2.gz BPXNCNHAHLIQFH-UHFFFAOYSA-N 0 3 219.328 3.520 20 0 BHADHN CN(CCC1=CCCCC1)Cc1ccoc1 ZINC000450285828 202119590 /nfs/dbraw/zinc/11/95/90/202119590.db2.gz MSAWQEMJAZQRFZ-UHFFFAOYSA-N 0 3 219.328 3.602 20 0 BHADHN CN(CC/C=C\c1ccccc1)Cc1ccoc1 ZINC000450293323 201354202 /nfs/dbraw/zinc/35/42/02/201354202.db2.gz YFBUSZUHAZAXDN-UITAMQMPSA-N 0 3 241.334 3.815 20 0 BHADHN CN(CC/C=C/c1ccccc1)Cc1ccoc1 ZINC000450293324 201353399 /nfs/dbraw/zinc/35/33/99/201353399.db2.gz YFBUSZUHAZAXDN-WEVVVXLNSA-N 0 3 241.334 3.815 20 0 BHADHN CN(Cc1ccoc1)C[C@H]1CCCCC1(F)F ZINC000450294051 202121171 /nfs/dbraw/zinc/12/11/71/202121171.db2.gz ZUCNFZOGKQSUPB-GFCCVEGCSA-N 0 3 243.297 3.537 20 0 BHADHN CN(Cc1ccoc1)C[C@@H]1CCCCC1(F)F ZINC000450294052 202121163 /nfs/dbraw/zinc/12/11/63/202121163.db2.gz ZUCNFZOGKQSUPB-LBPRGKRZSA-N 0 3 243.297 3.537 20 0 BHADHN CC(=O)c1ccc(CN2CCC[C@@H](C)CC2)cc1 ZINC000450296302 202122372 /nfs/dbraw/zinc/12/23/72/202122372.db2.gz CPDPCAXANJUEHV-CYBMUJFWSA-N 0 3 245.366 3.511 20 0 BHADHN CC(=O)c1ccc(CN2CCC[C@H](C)CC2)cc1 ZINC000450296303 202121520 /nfs/dbraw/zinc/12/15/20/202121520.db2.gz CPDPCAXANJUEHV-ZDUSSCGKSA-N 0 3 245.366 3.511 20 0 BHADHN C[C@H](c1ccco1)N(C)CC1=CCCCC1 ZINC000450297343 202120859 /nfs/dbraw/zinc/12/08/59/202120859.db2.gz ITJOKJBKVINUIF-GFCCVEGCSA-N 0 3 219.328 3.773 20 0 BHADHN C[C@@H](c1ccco1)N(C)CC1=CCCCC1 ZINC000450297345 202122237 /nfs/dbraw/zinc/12/22/37/202122237.db2.gz ITJOKJBKVINUIF-LBPRGKRZSA-N 0 3 219.328 3.773 20 0 BHADHN CC(=O)c1cccc(CN2CCC[C@@H](C)CC2)c1 ZINC000450303255 202123613 /nfs/dbraw/zinc/12/36/13/202123613.db2.gz ZLHFVSQHFWUJNT-CYBMUJFWSA-N 0 3 245.366 3.511 20 0 BHADHN CC(=O)c1cccc(CN2CCC[C@H](C)CC2)c1 ZINC000450303257 201355254 /nfs/dbraw/zinc/35/52/54/201355254.db2.gz ZLHFVSQHFWUJNT-ZDUSSCGKSA-N 0 3 245.366 3.511 20 0 BHADHN CC(=O)c1ccc(CN(C)CC2CCCC2)cc1 ZINC000450319769 202127222 /nfs/dbraw/zinc/12/72/22/202127222.db2.gz RYIQGBDGOHMZNM-UHFFFAOYSA-N 0 3 245.366 3.511 20 0 BHADHN CC(=O)c1cccc(CN(C)CC2CCCC2)c1 ZINC000450320597 202127777 /nfs/dbraw/zinc/12/77/77/202127777.db2.gz WETAMQGAVQCMRX-UHFFFAOYSA-N 0 3 245.366 3.511 20 0 BHADHN CCc1cc(N2CCC[C@H]2c2ccco2)ccn1 ZINC000450337376 202133423 /nfs/dbraw/zinc/13/34/23/202133423.db2.gz FSIZBZKYJMLZQZ-AWEZNQCLSA-N 0 3 242.322 3.579 20 0 BHADHN CCc1cc(N2CCC[C@@H]2c2ccco2)ccn1 ZINC000450337377 202133188 /nfs/dbraw/zinc/13/31/88/202133188.db2.gz FSIZBZKYJMLZQZ-CQSZACIVSA-N 0 3 242.322 3.579 20 0 BHADHN CC(=O)c1cccc(CN2CCC(C)(C)CC2)c1 ZINC000450340791 202136016 /nfs/dbraw/zinc/13/60/16/202136016.db2.gz HCNWJFBIEFANNV-UHFFFAOYSA-N 0 3 245.366 3.511 20 0 BHADHN CC(=O)c1ccc(CN2CCC(C)(C)CC2)cc1 ZINC000450340969 202133911 /nfs/dbraw/zinc/13/39/11/202133911.db2.gz HPPDPQQACKBOBM-UHFFFAOYSA-N 0 3 245.366 3.511 20 0 BHADHN CN(CCC1=CCCCC1)CCC(F)(F)F ZINC000450341367 202135402 /nfs/dbraw/zinc/13/54/02/202135402.db2.gz ZTJLSPHPAYSAJP-UHFFFAOYSA-N 0 3 235.293 3.761 20 0 BHADHN CCc1cc(N2Cc3ccccc3[C@H]2C)ccn1 ZINC000450363363 202142317 /nfs/dbraw/zinc/14/23/17/202142317.db2.gz ISHGIPXBHKCLKL-GFCCVEGCSA-N 0 3 238.334 3.725 20 0 BHADHN CCc1cc(N2Cc3ccccc3[C@@H]2C)ccn1 ZINC000450363364 202142944 /nfs/dbraw/zinc/14/29/44/202142944.db2.gz ISHGIPXBHKCLKL-LBPRGKRZSA-N 0 3 238.334 3.725 20 0 BHADHN c1ccc2c(c1)CN(CC1=CCCCC1)C2 ZINC000450375901 202146622 /nfs/dbraw/zinc/14/66/22/202146622.db2.gz FTUXYKFODAKNOV-UHFFFAOYSA-N 0 3 213.324 3.503 20 0 BHADHN CC(=O)c1cccc(CN2[C@H](C)CCC[C@@H]2C)c1 ZINC000450385003 202149704 /nfs/dbraw/zinc/14/97/04/202149704.db2.gz BZLASFPFNFWIIK-BETUJISGSA-N 0 3 245.366 3.652 20 0 BHADHN CC(=O)c1cccc(CN2[C@H](C)CCC[C@H]2C)c1 ZINC000450385005 202148777 /nfs/dbraw/zinc/14/87/77/202148777.db2.gz BZLASFPFNFWIIK-CHWSQXEVSA-N 0 3 245.366 3.652 20 0 BHADHN CC(=O)c1cccc(CN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000450385006 202148835 /nfs/dbraw/zinc/14/88/35/202148835.db2.gz BZLASFPFNFWIIK-STQMWFEESA-N 0 3 245.366 3.652 20 0 BHADHN CC(=O)c1ccc(CN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000450388675 202148134 /nfs/dbraw/zinc/14/81/34/202148134.db2.gz INWCBPMMYBCKTQ-BETUJISGSA-N 0 3 245.366 3.652 20 0 BHADHN CC(=O)c1ccc(CN2[C@H](C)CCC[C@H]2C)cc1 ZINC000450388676 202149682 /nfs/dbraw/zinc/14/96/82/202149682.db2.gz INWCBPMMYBCKTQ-CHWSQXEVSA-N 0 3 245.366 3.652 20 0 BHADHN CC(=O)c1ccc(CN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000450388677 202148509 /nfs/dbraw/zinc/14/85/09/202148509.db2.gz INWCBPMMYBCKTQ-STQMWFEESA-N 0 3 245.366 3.652 20 0 BHADHN CC(=O)c1cccc(CN2CCCC(C)(C)C2)c1 ZINC000450399551 202154614 /nfs/dbraw/zinc/15/46/14/202154614.db2.gz AHLKCWCPVNHJGK-UHFFFAOYSA-N 0 3 245.366 3.511 20 0 BHADHN CC(=O)c1ccc(CN2CCCC(C)(C)C2)cc1 ZINC000450403008 202157019 /nfs/dbraw/zinc/15/70/19/202157019.db2.gz KDGDTNSBGNHRFB-UHFFFAOYSA-N 0 3 245.366 3.511 20 0 BHADHN c1coc([C@@H]2CCCN2CC2=CCCCC2)c1 ZINC000450406431 202156932 /nfs/dbraw/zinc/15/69/32/202156932.db2.gz GKOOYGXLMMCKPH-AWEZNQCLSA-N 0 3 231.339 3.917 20 0 BHADHN c1coc([C@H]2CCCN2CC2=CCCCC2)c1 ZINC000450406432 388036156 /nfs/dbraw/zinc/03/61/56/388036156.db2.gz GKOOYGXLMMCKPH-CQSZACIVSA-N 0 3 231.339 3.917 20 0 BHADHN CCC(=O)CCCN1CCCC[C@H]1c1ccco1 ZINC000450409796 202158403 /nfs/dbraw/zinc/15/84/03/202158403.db2.gz LHMURXOSZGZFBV-AWEZNQCLSA-N 0 3 249.354 3.566 20 0 BHADHN CCC(=O)CCCN1CCCC[C@@H]1c1ccco1 ZINC000450409797 202158761 /nfs/dbraw/zinc/15/87/61/202158761.db2.gz LHMURXOSZGZFBV-CQSZACIVSA-N 0 3 249.354 3.566 20 0 BHADHN CC(=O)c1ccc(CN2CCCCC[C@H]2C)cc1 ZINC000450412850 388041752 /nfs/dbraw/zinc/04/17/52/388041752.db2.gz RYHRCDPIPRLKDL-CYBMUJFWSA-N 0 3 245.366 3.654 20 0 BHADHN CC(=O)c1ccc(CN2CCCCC[C@@H]2C)cc1 ZINC000450412851 388041288 /nfs/dbraw/zinc/04/12/88/388041288.db2.gz RYHRCDPIPRLKDL-ZDUSSCGKSA-N 0 3 245.366 3.654 20 0 BHADHN CC(=O)c1cccc(CN2CCCCC[C@H]2C)c1 ZINC000450414358 388063098 /nfs/dbraw/zinc/06/30/98/388063098.db2.gz XYHGPPQIDVMRBD-CYBMUJFWSA-N 0 3 245.366 3.654 20 0 BHADHN CC(=O)c1cccc(CN2CCCCC[C@@H]2C)c1 ZINC000450414359 388064066 /nfs/dbraw/zinc/06/40/66/388064066.db2.gz XYHGPPQIDVMRBD-ZDUSSCGKSA-N 0 3 245.366 3.654 20 0 BHADHN CCN(Cc1ccccc1OC1CC1)C1CCC1 ZINC000450419434 202160716 /nfs/dbraw/zinc/16/07/16/202160716.db2.gz HXUAWAJWCPZKLQ-UHFFFAOYSA-N 0 3 245.366 3.602 20 0 BHADHN CC(=O)c1ccc(CN2CCC[C@@H](C)[C@H]2C)cc1 ZINC000450431768 202165188 /nfs/dbraw/zinc/16/51/88/202165188.db2.gz BOLABKZDWAPVAI-CHWSQXEVSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000450431769 202166970 /nfs/dbraw/zinc/16/69/70/202166970.db2.gz BOLABKZDWAPVAI-OLZOCXBDSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN2CCC[C@H](C)[C@H]2C)cc1 ZINC000450431770 202166159 /nfs/dbraw/zinc/16/61/59/202166159.db2.gz BOLABKZDWAPVAI-QWHCGFSZSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN2CCC[C@H](C)[C@@H]2C)cc1 ZINC000450431771 202166068 /nfs/dbraw/zinc/16/60/68/202166068.db2.gz BOLABKZDWAPVAI-STQMWFEESA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN2CCC[C@H](C)[C@H]2C)c1 ZINC000450439379 387762557 /nfs/dbraw/zinc/76/25/57/387762557.db2.gz XHNQXHUYFPEOHM-QWHCGFSZSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN2CCC[C@H](C)[C@@H]2C)c1 ZINC000450439383 387761786 /nfs/dbraw/zinc/76/17/86/387761786.db2.gz XHNQXHUYFPEOHM-STQMWFEESA-N 0 3 245.366 3.510 20 0 BHADHN CC[C@@H]1C[C@H](C)CN1Cc1cccc(C(C)=O)c1 ZINC000450452623 202169107 /nfs/dbraw/zinc/16/91/07/202169107.db2.gz MWDJCSFUXKQOGB-BLLLJJGKSA-N 0 3 245.366 3.510 20 0 BHADHN CC[C@H]1C[C@H](C)CN1Cc1cccc(C(C)=O)c1 ZINC000450452624 202170492 /nfs/dbraw/zinc/17/04/92/202170492.db2.gz MWDJCSFUXKQOGB-LRDDRELGSA-N 0 3 245.366 3.510 20 0 BHADHN CC[C@@H]1C[C@@H](C)CN1Cc1cccc(C(C)=O)c1 ZINC000450452625 202169449 /nfs/dbraw/zinc/16/94/49/202169449.db2.gz MWDJCSFUXKQOGB-MLGOLLRUSA-N 0 3 245.366 3.510 20 0 BHADHN CC[C@H]1C[C@@H](C)CN1Cc1cccc(C(C)=O)c1 ZINC000450452626 202170862 /nfs/dbraw/zinc/17/08/62/202170862.db2.gz MWDJCSFUXKQOGB-WBMJQRKESA-N 0 3 245.366 3.510 20 0 BHADHN FC(F)(F)C1CCN(CC2=CCCCC2)CC1 ZINC000450457769 202171241 /nfs/dbraw/zinc/17/12/41/202171241.db2.gz GNMCWGSOMNTRTG-UHFFFAOYSA-N 0 3 247.304 3.761 20 0 BHADHN CC(=O)c1cccc(CN2C[C@H](C)CC[C@H]2C)c1 ZINC000450458367 202171972 /nfs/dbraw/zinc/17/19/72/202171972.db2.gz ULYOHQYUDVINCZ-CHWSQXEVSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN2C[C@H](C)CC[C@@H]2C)c1 ZINC000450458369 202171937 /nfs/dbraw/zinc/17/19/37/202171937.db2.gz ULYOHQYUDVINCZ-OLZOCXBDSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN2C[C@@H](C)CC[C@H]2C)c1 ZINC000450458371 202173369 /nfs/dbraw/zinc/17/33/69/202173369.db2.gz ULYOHQYUDVINCZ-QWHCGFSZSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN2C[C@@H](C)CC[C@@H]2C)c1 ZINC000450458373 202173109 /nfs/dbraw/zinc/17/31/09/202173109.db2.gz ULYOHQYUDVINCZ-STQMWFEESA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN2C[C@H](C)CC2(C)C)c1 ZINC000450458556 202171796 /nfs/dbraw/zinc/17/17/96/202171796.db2.gz YEONITJSRWLEGS-GFCCVEGCSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN2C[C@@H](C)CC2(C)C)c1 ZINC000450458557 202172266 /nfs/dbraw/zinc/17/22/66/202172266.db2.gz YEONITJSRWLEGS-LBPRGKRZSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN2C[C@H](C)CC[C@H]2C)cc1 ZINC000450458963 202172436 /nfs/dbraw/zinc/17/24/36/202172436.db2.gz VKDIRABRNAQPAB-CHWSQXEVSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN2C[C@H](C)CC[C@@H]2C)cc1 ZINC000450458964 202172679 /nfs/dbraw/zinc/17/26/79/202172679.db2.gz VKDIRABRNAQPAB-OLZOCXBDSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN2C[C@@H](C)CC[C@H]2C)cc1 ZINC000450458965 206082780 /nfs/dbraw/zinc/08/27/80/206082780.db2.gz VKDIRABRNAQPAB-QWHCGFSZSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000450458966 206082227 /nfs/dbraw/zinc/08/22/27/206082227.db2.gz VKDIRABRNAQPAB-STQMWFEESA-N 0 3 245.366 3.510 20 0 BHADHN CC[C@@H](C)CN(CC)Cc1ccc(C(C)=O)cc1 ZINC000450468975 202175834 /nfs/dbraw/zinc/17/58/34/202175834.db2.gz PUXCLRYDOQCOAQ-CYBMUJFWSA-N 0 3 247.382 3.757 20 0 BHADHN CC[C@H](C)CN(CC)Cc1ccc(C(C)=O)cc1 ZINC000450468976 202175349 /nfs/dbraw/zinc/17/53/49/202175349.db2.gz PUXCLRYDOQCOAQ-ZDUSSCGKSA-N 0 3 247.382 3.757 20 0 BHADHN CC[C@@H](C)CN(CC)Cc1cccc(C(C)=O)c1 ZINC000450470404 202173970 /nfs/dbraw/zinc/17/39/70/202173970.db2.gz UGZLKRMOVCJTKI-CYBMUJFWSA-N 0 3 247.382 3.757 20 0 BHADHN CC[C@H](C)CN(CC)Cc1cccc(C(C)=O)c1 ZINC000450470406 202176092 /nfs/dbraw/zinc/17/60/92/202176092.db2.gz UGZLKRMOVCJTKI-ZDUSSCGKSA-N 0 3 247.382 3.757 20 0 BHADHN CC[C@@]1(C)CCN(Cc2cccc(C(C)=O)c2)C1 ZINC000450484503 202182149 /nfs/dbraw/zinc/18/21/49/202182149.db2.gz MEFWLLHPLKSDBN-INIZCTEOSA-N 0 3 245.366 3.511 20 0 BHADHN CC[C@]1(C)CCN(Cc2cccc(C(C)=O)c2)C1 ZINC000450484504 202182402 /nfs/dbraw/zinc/18/24/02/202182402.db2.gz MEFWLLHPLKSDBN-MRXNPFEDSA-N 0 3 245.366 3.511 20 0 BHADHN CCN(CCC1=CCCCC1)Cc1ccccn1 ZINC000450485060 206081611 /nfs/dbraw/zinc/08/16/11/206081611.db2.gz NYKZTESHZYAMQM-UHFFFAOYSA-N 0 3 244.382 3.794 20 0 BHADHN CC[C@@]1(C)CCN(Cc2ccc(C(C)=O)cc2)C1 ZINC000450488169 202183509 /nfs/dbraw/zinc/18/35/09/202183509.db2.gz XCQQSORVLOTHKI-INIZCTEOSA-N 0 3 245.366 3.511 20 0 BHADHN CC[C@]1(C)CCN(Cc2ccc(C(C)=O)cc2)C1 ZINC000450488170 202181834 /nfs/dbraw/zinc/18/18/34/202181834.db2.gz XCQQSORVLOTHKI-MRXNPFEDSA-N 0 3 245.366 3.511 20 0 BHADHN c1c[nH]c([C@@H]2CCCN2CC2=CCCCC2)c1 ZINC000450517047 202189698 /nfs/dbraw/zinc/18/96/98/202189698.db2.gz MUUBKGXMMDIDQD-HNNXBMFYSA-N 0 3 230.355 3.652 20 0 BHADHN c1c[nH]c([C@H]2CCCN2CC2=CCCCC2)c1 ZINC000450517052 202189102 /nfs/dbraw/zinc/18/91/02/202189102.db2.gz MUUBKGXMMDIDQD-OAHLLOKOSA-N 0 3 230.355 3.652 20 0 BHADHN C[C@H](c1cccc(O)c1)N(C)CC1=CCCCC1 ZINC000450558357 202197616 /nfs/dbraw/zinc/19/76/16/202197616.db2.gz QUOVENTUODRRTN-CYBMUJFWSA-N 0 3 245.366 3.885 20 0 BHADHN C[C@@H](c1cccc(O)c1)N(C)CC1=CCCCC1 ZINC000450558358 202197704 /nfs/dbraw/zinc/19/77/04/202197704.db2.gz QUOVENTUODRRTN-ZDUSSCGKSA-N 0 3 245.366 3.885 20 0 BHADHN CC(=O)c1ccc(CN(C(C)C)C2CCC2)cc1 ZINC000450562935 202199840 /nfs/dbraw/zinc/19/98/40/202199840.db2.gz IOBSTNORSVIERK-UHFFFAOYSA-N 0 3 245.366 3.652 20 0 BHADHN Cc1cccc(CN(C)CCC2=CCCCC2)n1 ZINC000450562946 387863705 /nfs/dbraw/zinc/86/37/05/387863705.db2.gz IPGBBRVSEGDZEH-UHFFFAOYSA-N 0 3 244.382 3.712 20 0 BHADHN C[C@]1(F)CCCN(c2ccnc3ccccc32)C1 ZINC000450566189 202198051 /nfs/dbraw/zinc/19/80/51/202198051.db2.gz WUGMYZMPLCMNCY-HNNXBMFYSA-N 0 3 244.313 3.563 20 0 BHADHN C[C@@]1(F)CCCN(c2ccnc3ccccc32)C1 ZINC000450566190 202198678 /nfs/dbraw/zinc/19/86/78/202198678.db2.gz WUGMYZMPLCMNCY-OAHLLOKOSA-N 0 3 244.313 3.563 20 0 BHADHN CC(=O)c1cccc(CN(C(C)C)C2CCC2)c1 ZINC000450569040 202201011 /nfs/dbraw/zinc/20/10/11/202201011.db2.gz PBMGJDMUVHCFME-UHFFFAOYSA-N 0 3 245.366 3.652 20 0 BHADHN C[C@@H](c1cccnc1)N(C)CCC1=CCCCC1 ZINC000450624106 202216551 /nfs/dbraw/zinc/21/65/51/202216551.db2.gz AXEKJIBYXFORJF-AWEZNQCLSA-N 0 3 244.382 3.965 20 0 BHADHN C[C@H](c1cccnc1)N(C)CCC1=CCCCC1 ZINC000450624107 202215559 /nfs/dbraw/zinc/21/55/59/202215559.db2.gz AXEKJIBYXFORJF-CQSZACIVSA-N 0 3 244.382 3.965 20 0 BHADHN c1cc([C@@H]2CCCN2CC2=CCCCC2)ccn1 ZINC000450624432 202216369 /nfs/dbraw/zinc/21/63/69/202216369.db2.gz AKQWEWASFQNNAK-INIZCTEOSA-N 0 3 242.366 3.719 20 0 BHADHN c1cc([C@H]2CCCN2CC2=CCCCC2)ccn1 ZINC000450624438 202215095 /nfs/dbraw/zinc/21/50/95/202215095.db2.gz AKQWEWASFQNNAK-MRXNPFEDSA-N 0 3 242.366 3.719 20 0 BHADHN C[C@@H](c1ccccn1)N(C)CCC1=CCCCC1 ZINC000450625045 202215464 /nfs/dbraw/zinc/21/54/64/202215464.db2.gz DBYOMLHABUYTTB-AWEZNQCLSA-N 0 3 244.382 3.965 20 0 BHADHN C[C@H](c1ccccn1)N(C)CCC1=CCCCC1 ZINC000450625046 202215108 /nfs/dbraw/zinc/21/51/08/202215108.db2.gz DBYOMLHABUYTTB-CQSZACIVSA-N 0 3 244.382 3.965 20 0 BHADHN c1cc(CN(CC2=CCCCC2)C2CC2)ccn1 ZINC000450626747 202216459 /nfs/dbraw/zinc/21/64/59/202216459.db2.gz HRAXKQGXROLBOH-UHFFFAOYSA-N 0 3 242.366 3.546 20 0 BHADHN c1cncc([C@@H]2CCCN2CC2=CCCCC2)c1 ZINC000450628330 202217709 /nfs/dbraw/zinc/21/77/09/202217709.db2.gz MHIJMSIMGOCWIA-INIZCTEOSA-N 0 3 242.366 3.719 20 0 BHADHN c1cncc([C@H]2CCCN2CC2=CCCCC2)c1 ZINC000450628331 202217546 /nfs/dbraw/zinc/21/75/46/202217546.db2.gz MHIJMSIMGOCWIA-MRXNPFEDSA-N 0 3 242.366 3.719 20 0 BHADHN C[C@H](c1ccccn1)N(C)CC1=CCCCC1 ZINC000450628977 202217568 /nfs/dbraw/zinc/21/75/68/202217568.db2.gz MVMYELHKPFGLBG-CYBMUJFWSA-N 0 3 230.355 3.575 20 0 BHADHN C[C@@H](c1ccccn1)N(C)CC1=CCCCC1 ZINC000450628978 202218495 /nfs/dbraw/zinc/21/84/95/202218495.db2.gz MVMYELHKPFGLBG-ZDUSSCGKSA-N 0 3 230.355 3.575 20 0 BHADHN C[C@@H](c1ccncc1)N(C)CCC1=CCCCC1 ZINC000450630295 202218319 /nfs/dbraw/zinc/21/83/19/202218319.db2.gz RWNDLPSEWOPIFU-AWEZNQCLSA-N 0 3 244.382 3.965 20 0 BHADHN C[C@H](c1ccncc1)N(C)CCC1=CCCCC1 ZINC000450630296 202218529 /nfs/dbraw/zinc/21/85/29/202218529.db2.gz RWNDLPSEWOPIFU-CQSZACIVSA-N 0 3 244.382 3.965 20 0 BHADHN CC(C)N(Cc1cccnc1)CC1=CCCCC1 ZINC000450630335 202218653 /nfs/dbraw/zinc/21/86/53/202218653.db2.gz UZYOEBDHGPZJCZ-UHFFFAOYSA-N 0 3 244.382 3.792 20 0 BHADHN C[C@H](c1cccnc1)N(C)CC1=CCCCC1 ZINC000450630350 202218158 /nfs/dbraw/zinc/21/81/58/202218158.db2.gz RYVSOQJHEQFLOA-CYBMUJFWSA-N 0 3 230.355 3.575 20 0 BHADHN C[C@@H](c1cccnc1)N(C)CC1=CCCCC1 ZINC000450630351 202218818 /nfs/dbraw/zinc/21/88/18/202218818.db2.gz RYVSOQJHEQFLOA-ZDUSSCGKSA-N 0 3 230.355 3.575 20 0 BHADHN c1cncc(CN(CC2=CCCCC2)C2CC2)c1 ZINC000450630767 388050105 /nfs/dbraw/zinc/05/01/05/388050105.db2.gz YHRZZBWOVOZXRD-UHFFFAOYSA-N 0 3 242.366 3.546 20 0 BHADHN C[C@H](c1ccncc1)N(C)CC1=CCCCC1 ZINC000450631106 202217220 /nfs/dbraw/zinc/21/72/20/202217220.db2.gz WADAKXUEEAVZSW-CYBMUJFWSA-N 0 3 230.355 3.575 20 0 BHADHN C[C@@H](c1ccncc1)N(C)CC1=CCCCC1 ZINC000450631107 202217834 /nfs/dbraw/zinc/21/78/34/202217834.db2.gz WADAKXUEEAVZSW-ZDUSSCGKSA-N 0 3 230.355 3.575 20 0 BHADHN C[C@@H](c1ccccn1)N(C)CC12CCC(CC1)C2 ZINC000450631423 388053047 /nfs/dbraw/zinc/05/30/47/388053047.db2.gz XXENRJHKEGMMLK-HLIUYOAVSA-N 0 3 244.382 3.655 20 0 BHADHN C[C@H](c1ccccn1)N(C)CC12CCC(CC1)C2 ZINC000450631424 388054990 /nfs/dbraw/zinc/05/49/90/388054990.db2.gz XXENRJHKEGMMLK-VQCLRJIVSA-N 0 3 244.382 3.655 20 0 BHADHN CC[C@@H](c1ccncc1)N(C)CC1=CCCCC1 ZINC000450631815 202218417 /nfs/dbraw/zinc/21/84/17/202218417.db2.gz HRBOZCHGKYQGSZ-INIZCTEOSA-N 0 3 244.382 3.965 20 0 BHADHN CC[C@H](c1ccncc1)N(C)CC1=CCCCC1 ZINC000450631816 202218100 /nfs/dbraw/zinc/21/81/00/202218100.db2.gz HRBOZCHGKYQGSZ-MRXNPFEDSA-N 0 3 244.382 3.965 20 0 BHADHN CC(=O)c1cccc(CN(C)[C@H](C)C2CCC2)c1 ZINC000450644653 202222063 /nfs/dbraw/zinc/22/20/63/202222063.db2.gz BNFWIVPWJMSVFI-GFCCVEGCSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN(C)[C@@H](C)C2CCC2)c1 ZINC000450644654 202222581 /nfs/dbraw/zinc/22/25/81/202222581.db2.gz BNFWIVPWJMSVFI-LBPRGKRZSA-N 0 3 245.366 3.510 20 0 BHADHN CC[C@@H]1CC[C@H](C)N1Cc1cccc(C(C)=O)c1 ZINC000450645723 202221800 /nfs/dbraw/zinc/22/18/00/202221800.db2.gz PTFVDBQYXJLUTG-BLLLJJGKSA-N 0 3 245.366 3.652 20 0 BHADHN CC[C@H]1CC[C@H](C)N1Cc1cccc(C(C)=O)c1 ZINC000450645724 202222596 /nfs/dbraw/zinc/22/25/96/202222596.db2.gz PTFVDBQYXJLUTG-LRDDRELGSA-N 0 3 245.366 3.652 20 0 BHADHN CC[C@@H]1CC[C@@H](C)N1Cc1cccc(C(C)=O)c1 ZINC000450645725 202222766 /nfs/dbraw/zinc/22/27/66/202222766.db2.gz PTFVDBQYXJLUTG-MLGOLLRUSA-N 0 3 245.366 3.652 20 0 BHADHN CC[C@H]1CC[C@@H](C)N1Cc1cccc(C(C)=O)c1 ZINC000450645726 202222308 /nfs/dbraw/zinc/22/23/08/202222308.db2.gz PTFVDBQYXJLUTG-WBMJQRKESA-N 0 3 245.366 3.652 20 0 BHADHN CC(=O)c1ccc(CN(C)[C@H](C)C2CCC2)cc1 ZINC000450653887 202227106 /nfs/dbraw/zinc/22/71/06/202227106.db2.gz QKSIUVZDZBVFNY-GFCCVEGCSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN(C)[C@@H](C)C2CCC2)cc1 ZINC000450653888 202228359 /nfs/dbraw/zinc/22/83/59/202228359.db2.gz QKSIUVZDZBVFNY-LBPRGKRZSA-N 0 3 245.366 3.510 20 0 BHADHN C[C@]1(F)CCN(CC/C=C/c2ccccc2)C1 ZINC000450659684 202229203 /nfs/dbraw/zinc/22/92/03/202229203.db2.gz REQFXAAJCKVTCD-BOSPYUDASA-N 0 3 233.330 3.524 20 0 BHADHN C[C@@]1(F)CCN(CC/C=C/c2ccccc2)C1 ZINC000450659685 202228298 /nfs/dbraw/zinc/22/82/98/202228298.db2.gz REQFXAAJCKVTCD-FUVBFXSKSA-N 0 3 233.330 3.524 20 0 BHADHN C[C@@]1(F)CCN(CC/C=C\c2ccccc2)C1 ZINC000450659686 202228575 /nfs/dbraw/zinc/22/85/75/202228575.db2.gz REQFXAAJCKVTCD-HMZQOCAUSA-N 0 3 233.330 3.524 20 0 BHADHN C[C@]1(F)CCN(CC/C=C\c2ccccc2)C1 ZINC000450659687 202227725 /nfs/dbraw/zinc/22/77/25/202227725.db2.gz REQFXAAJCKVTCD-ZHMISCPASA-N 0 3 233.330 3.524 20 0 BHADHN CCN(CCC1=CCCCC1)Cc1ccncc1 ZINC000450661549 202230824 /nfs/dbraw/zinc/23/08/24/202230824.db2.gz VAQVPRFFRNMXNQ-UHFFFAOYSA-N 0 3 244.382 3.794 20 0 BHADHN CCc1cnccc1[C@@H](C)NCC1=CCCCC1 ZINC000450714636 202241252 /nfs/dbraw/zinc/24/12/52/202241252.db2.gz HQURCBHYBWBIQV-CYBMUJFWSA-N 0 3 244.382 3.795 20 0 BHADHN CCc1cnccc1[C@H](C)NCC1=CCCCC1 ZINC000450714638 202242419 /nfs/dbraw/zinc/24/24/19/202242419.db2.gz HQURCBHYBWBIQV-ZDUSSCGKSA-N 0 3 244.382 3.795 20 0 BHADHN c1cncc([C@@H](NCC2=CCCCC2)C2CC2)c1 ZINC000450721351 202244591 /nfs/dbraw/zinc/24/45/91/202244591.db2.gz WZLVRLPIJGQFHI-INIZCTEOSA-N 0 3 242.366 3.623 20 0 BHADHN c1cncc([C@H](NCC2=CCCCC2)C2CC2)c1 ZINC000450721352 202245038 /nfs/dbraw/zinc/24/50/38/202245038.db2.gz WZLVRLPIJGQFHI-MRXNPFEDSA-N 0 3 242.366 3.623 20 0 BHADHN CC[C@H](NCC1=CCCCC1)c1c(C)noc1C ZINC000450722481 202244279 /nfs/dbraw/zinc/24/42/79/202244279.db2.gz BYLBIPDSAAGJGB-AWEZNQCLSA-N 0 3 248.370 3.833 20 0 BHADHN CC[C@@H](NCC1=CCCCC1)c1c(C)noc1C ZINC000450722482 202245417 /nfs/dbraw/zinc/24/54/17/202245417.db2.gz BYLBIPDSAAGJGB-CQSZACIVSA-N 0 3 248.370 3.833 20 0 BHADHN Cc1ccc(C(C)(C)NCC2=CCCCC2)cn1 ZINC000450744417 202254150 /nfs/dbraw/zinc/25/41/50/202254150.db2.gz MORJUVGQZUMHKE-UHFFFAOYSA-N 0 3 244.382 3.715 20 0 BHADHN CCN(CCC1CC1)Cc1cccc(C(C)=O)c1 ZINC000450745567 202254611 /nfs/dbraw/zinc/25/46/11/202254611.db2.gz FQTYWZQRJFEQPF-UHFFFAOYSA-N 0 3 245.366 3.511 20 0 BHADHN CCN(CCC1CC1)Cc1ccc(C(C)=O)cc1 ZINC000450749744 202255208 /nfs/dbraw/zinc/25/52/08/202255208.db2.gz ZGHYDIUXNXBCGR-UHFFFAOYSA-N 0 3 245.366 3.511 20 0 BHADHN CC(=O)c1cccc(CN2CCCC[C@@H](C)C2)c1 ZINC000450765292 202259236 /nfs/dbraw/zinc/25/92/36/202259236.db2.gz AOXFIQHEHRZLRK-CYBMUJFWSA-N 0 3 245.366 3.511 20 0 BHADHN CC(=O)c1cccc(CN2CCCC[C@H](C)C2)c1 ZINC000450765293 386687628 /nfs/dbraw/zinc/68/76/28/386687628.db2.gz AOXFIQHEHRZLRK-ZDUSSCGKSA-N 0 3 245.366 3.511 20 0 BHADHN CC(=O)c1ccc(CN2CCCC[C@@H](C)C2)cc1 ZINC000450767902 202260866 /nfs/dbraw/zinc/26/08/66/202260866.db2.gz CUWNADLZHPKYLC-CYBMUJFWSA-N 0 3 245.366 3.511 20 0 BHADHN CC(=O)c1ccc(CN2CCCC[C@H](C)C2)cc1 ZINC000450767903 202260803 /nfs/dbraw/zinc/26/08/03/202260803.db2.gz CUWNADLZHPKYLC-ZDUSSCGKSA-N 0 3 245.366 3.511 20 0 BHADHN CC[C@@H]1[C@@H](C)CCN1Cc1cccc(C(C)=O)c1 ZINC000450777714 202264857 /nfs/dbraw/zinc/26/48/57/202264857.db2.gz YIGYDKBFIOBVAI-BLLLJJGKSA-N 0 3 245.366 3.510 20 0 BHADHN CC[C@H]1[C@@H](C)CCN1Cc1cccc(C(C)=O)c1 ZINC000450777715 386698655 /nfs/dbraw/zinc/69/86/55/386698655.db2.gz YIGYDKBFIOBVAI-LRDDRELGSA-N 0 3 245.366 3.510 20 0 BHADHN CC[C@@H]1[C@H](C)CCN1Cc1cccc(C(C)=O)c1 ZINC000450777716 386699074 /nfs/dbraw/zinc/69/90/74/386699074.db2.gz YIGYDKBFIOBVAI-MLGOLLRUSA-N 0 3 245.366 3.510 20 0 BHADHN CC[C@H]1[C@H](C)CCN1Cc1cccc(C(C)=O)c1 ZINC000450777717 386698301 /nfs/dbraw/zinc/69/83/01/386698301.db2.gz YIGYDKBFIOBVAI-WBMJQRKESA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN(C)[C@@H]2CC[C@H](C)C2)c1 ZINC000450853694 202289165 /nfs/dbraw/zinc/28/91/65/202289165.db2.gz IFRFQPNUVJOKLL-BLLLJJGKSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN(C)[C@H]2CC[C@H](C)C2)c1 ZINC000450853695 202290480 /nfs/dbraw/zinc/29/04/80/202290480.db2.gz IFRFQPNUVJOKLL-LRDDRELGSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN(C)[C@@H]2CC[C@@H](C)C2)c1 ZINC000450853696 202290424 /nfs/dbraw/zinc/29/04/24/202290424.db2.gz IFRFQPNUVJOKLL-MLGOLLRUSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1cccc(CN(C)[C@H]2CC[C@@H](C)C2)c1 ZINC000450853697 202290833 /nfs/dbraw/zinc/29/08/33/202290833.db2.gz IFRFQPNUVJOKLL-WBMJQRKESA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN(C)[C@@H]2CC[C@H](C)C2)cc1 ZINC000450854417 202289311 /nfs/dbraw/zinc/28/93/11/202289311.db2.gz KGUKYRJRWPOSHB-BLLLJJGKSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN(C)[C@H]2CC[C@H](C)C2)cc1 ZINC000450854418 202290261 /nfs/dbraw/zinc/29/02/61/202290261.db2.gz KGUKYRJRWPOSHB-LRDDRELGSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN(C)[C@@H]2CC[C@@H](C)C2)cc1 ZINC000450854419 202289794 /nfs/dbraw/zinc/28/97/94/202289794.db2.gz KGUKYRJRWPOSHB-MLGOLLRUSA-N 0 3 245.366 3.510 20 0 BHADHN CC(=O)c1ccc(CN(C)[C@H]2CC[C@@H](C)C2)cc1 ZINC000450854420 202290125 /nfs/dbraw/zinc/29/01/25/202290125.db2.gz KGUKYRJRWPOSHB-WBMJQRKESA-N 0 3 245.366 3.510 20 0 BHADHN FC(F)(F)C[C@H]1CCN(CC2=CCCCC2)C1 ZINC000450858727 202292662 /nfs/dbraw/zinc/29/26/62/202292662.db2.gz LWPFBMXJFOAKQP-GFCCVEGCSA-N 0 3 247.304 3.761 20 0 BHADHN FC(F)(F)C[C@@H]1CCN(CC2=CCCCC2)C1 ZINC000450858731 202292567 /nfs/dbraw/zinc/29/25/67/202292567.db2.gz LWPFBMXJFOAKQP-LBPRGKRZSA-N 0 3 247.304 3.761 20 0 BHADHN C[C@H]1[C@H](C(F)(F)F)CCN1CC1=CCCCC1 ZINC000450885954 202297681 /nfs/dbraw/zinc/29/76/81/202297681.db2.gz DEBOVVBTEDTUPV-CMPLNLGQSA-N 0 3 247.304 3.760 20 0 BHADHN C[C@H]1[C@@H](C(F)(F)F)CCN1CC1=CCCCC1 ZINC000450885955 202297906 /nfs/dbraw/zinc/29/79/06/202297906.db2.gz DEBOVVBTEDTUPV-JQWIXIFHSA-N 0 3 247.304 3.760 20 0 BHADHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CC1=CCCCC1 ZINC000450885956 202297139 /nfs/dbraw/zinc/29/71/39/202297139.db2.gz DEBOVVBTEDTUPV-PWSUYJOCSA-N 0 3 247.304 3.760 20 0 BHADHN C[C@@H]1[C@H](C(F)(F)F)CCN1CC1=CCCCC1 ZINC000450885957 202298099 /nfs/dbraw/zinc/29/80/99/202298099.db2.gz DEBOVVBTEDTUPV-ZYHUDNBSSA-N 0 3 247.304 3.760 20 0 BHADHN CCN(Cc1ccc(C(C)=O)cc1)CC1CCC1 ZINC000450892437 202300442 /nfs/dbraw/zinc/30/04/42/202300442.db2.gz OEFXVKZBAKMUKB-UHFFFAOYSA-N 0 3 245.366 3.511 20 0 BHADHN Cc1ccncc1CN(C)CCC1=CCCCC1 ZINC000450894521 202300557 /nfs/dbraw/zinc/30/05/57/202300557.db2.gz VQFZAPSJHRDLHQ-UHFFFAOYSA-N 0 3 244.382 3.712 20 0 BHADHN CCN(Cc1cccc(C(C)=O)c1)CC1CCC1 ZINC000450895991 202302751 /nfs/dbraw/zinc/30/27/51/202302751.db2.gz ZGKICZSENJMYTE-UHFFFAOYSA-N 0 3 245.366 3.511 20 0 BHADHN Cc1noc(C)c1C(C)(C)NCC1=CCCCC1 ZINC000450992217 202328840 /nfs/dbraw/zinc/32/88/40/202328840.db2.gz PHDJPFVSEAMBSH-UHFFFAOYSA-N 0 3 248.370 3.617 20 0 BHADHN CC(C)CCCN1CCC=C(c2cccnc2)C1 ZINC000451022838 397969934 /nfs/dbraw/zinc/96/99/34/397969934.db2.gz CRXQOKBZDILNAT-UHFFFAOYSA-N 0 3 244.382 3.607 20 0 BHADHN CC/C=C\CCN1CCC=C(c2cccnc2)C1 ZINC000451023126 397969990 /nfs/dbraw/zinc/96/99/90/397969990.db2.gz DKYPYUKYGKYKGK-ARJAWSKDSA-N 0 3 242.366 3.527 20 0 BHADHN c1cc2c(o1)CCCN(CC1=CCCCC1)C2 ZINC000451035302 202333090 /nfs/dbraw/zinc/33/30/90/202333090.db2.gz GDIIPLMPUDWJIM-UHFFFAOYSA-N 0 3 231.339 3.528 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1ccc(C(C)=O)cc1 ZINC000451044360 202337123 /nfs/dbraw/zinc/33/71/23/202337123.db2.gz BJKKLKJLLNYHKJ-CYBMUJFWSA-N 0 3 247.382 3.900 20 0 BHADHN CCCC[C@H](C)N(C)Cc1ccc(C(C)=O)cc1 ZINC000451044362 202336523 /nfs/dbraw/zinc/33/65/23/202336523.db2.gz BJKKLKJLLNYHKJ-ZDUSSCGKSA-N 0 3 247.382 3.900 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1cccc(C(C)=O)c1 ZINC000451051671 385628723 /nfs/dbraw/zinc/62/87/23/385628723.db2.gz VTRYUOPUJBEQGZ-CYBMUJFWSA-N 0 3 247.382 3.900 20 0 BHADHN CCCC[C@H](C)N(C)Cc1cccc(C(C)=O)c1 ZINC000451051672 385629560 /nfs/dbraw/zinc/62/95/60/385629560.db2.gz VTRYUOPUJBEQGZ-ZDUSSCGKSA-N 0 3 247.382 3.900 20 0 BHADHN Cc1ccoc1CN(C)CC1=CCCCC1 ZINC000451051870 202338321 /nfs/dbraw/zinc/33/83/21/202338321.db2.gz DHDLPDMFMUBDEA-UHFFFAOYSA-N 0 3 219.328 3.520 20 0 BHADHN CCN(Cc1ccc(C(C)=O)cc1)CC(C)(C)C ZINC000451051995 202339299 /nfs/dbraw/zinc/33/92/99/202339299.db2.gz UQPXIMOWEQHSDF-UHFFFAOYSA-N 0 3 247.382 3.757 20 0 BHADHN CCN(Cc1cccc(C(C)=O)c1)CC(C)(C)C ZINC000451052874 202338427 /nfs/dbraw/zinc/33/84/27/202338427.db2.gz XPXOFBOISGIPHQ-UHFFFAOYSA-N 0 3 247.382 3.757 20 0 BHADHN CC(C)C1(NCc2ccccc2OC2CC2)CC1 ZINC000451070702 202346697 /nfs/dbraw/zinc/34/66/97/202346697.db2.gz JFBALZJYVSPXAB-UHFFFAOYSA-N 0 3 245.366 3.506 20 0 BHADHN C[C@@]1(F)CCCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000451109546 202355404 /nfs/dbraw/zinc/35/54/04/202355404.db2.gz AXRVNTIBQUDQJV-HRCADAONSA-N 0 3 247.357 3.614 20 0 BHADHN C[C@@H](c1ccccc1)N1CCC[C@@](C)(F)C1 ZINC000451114007 202355430 /nfs/dbraw/zinc/35/54/30/202355430.db2.gz CIGOLINUPCRVHK-GXTWGEPZSA-N 0 3 221.319 3.572 20 0 BHADHN C[C@@H](c1ccccc1)N1CCC[C@](C)(F)C1 ZINC000451114008 202353924 /nfs/dbraw/zinc/35/39/24/202353924.db2.gz CIGOLINUPCRVHK-JSGCOSHPSA-N 0 3 221.319 3.572 20 0 BHADHN C[C@H](c1ccccc1)N1CCC[C@](C)(F)C1 ZINC000451114009 202353492 /nfs/dbraw/zinc/35/34/92/202353492.db2.gz CIGOLINUPCRVHK-OCCSQVGLSA-N 0 3 221.319 3.572 20 0 BHADHN C[C@H](c1ccccc1)N1CCC[C@@](C)(F)C1 ZINC000451114010 202354169 /nfs/dbraw/zinc/35/41/69/202354169.db2.gz CIGOLINUPCRVHK-TZMCWYRMSA-N 0 3 221.319 3.572 20 0 BHADHN C[C@]1(F)CCCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000451114409 202354889 /nfs/dbraw/zinc/35/48/89/202354889.db2.gz LRFZRBWGXFPWQO-NEPJUHHUSA-N 0 3 249.320 3.636 20 0 BHADHN C[C@@]1(F)CCCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000451114410 202353356 /nfs/dbraw/zinc/35/33/56/202353356.db2.gz LRFZRBWGXFPWQO-NWDGAFQWSA-N 0 3 249.320 3.636 20 0 BHADHN C[C@]1(F)CCCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000451114412 202354311 /nfs/dbraw/zinc/35/43/11/202354311.db2.gz LRFZRBWGXFPWQO-RYUDHWBXSA-N 0 3 249.320 3.636 20 0 BHADHN C[C@@]1(F)CCCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000451114413 202354943 /nfs/dbraw/zinc/35/49/43/202354943.db2.gz LRFZRBWGXFPWQO-VXGBXAGGSA-N 0 3 249.320 3.636 20 0 BHADHN C[C@@]1(F)CCCN(CCCc2ccsc2)C1 ZINC000451115470 202353198 /nfs/dbraw/zinc/35/31/98/202353198.db2.gz OQIHBASRAJBLLP-CYBMUJFWSA-N 0 3 241.375 3.505 20 0 BHADHN C[C@]1(F)CCCN(CCCc2ccsc2)C1 ZINC000451115471 202353693 /nfs/dbraw/zinc/35/36/93/202353693.db2.gz OQIHBASRAJBLLP-ZDUSSCGKSA-N 0 3 241.375 3.505 20 0 BHADHN C[C@]1(F)CCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000451118777 202358173 /nfs/dbraw/zinc/35/81/73/202358173.db2.gz YVFXRZSKCIGJFX-NEPJUHHUSA-N 0 3 249.320 3.636 20 0 BHADHN C[C@@]1(F)CCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000451118779 202356363 /nfs/dbraw/zinc/35/63/63/202356363.db2.gz YVFXRZSKCIGJFX-NWDGAFQWSA-N 0 3 249.320 3.636 20 0 BHADHN C[C@]1(F)CCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000451118780 202357346 /nfs/dbraw/zinc/35/73/46/202357346.db2.gz YVFXRZSKCIGJFX-RYUDHWBXSA-N 0 3 249.320 3.636 20 0 BHADHN C[C@@]1(F)CCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000451118781 202357103 /nfs/dbraw/zinc/35/71/03/202357103.db2.gz YVFXRZSKCIGJFX-VXGBXAGGSA-N 0 3 249.320 3.636 20 0 BHADHN CCC1(NCc2nc(C)sc2C)CCCC1 ZINC000451274874 202391743 /nfs/dbraw/zinc/39/17/43/202391743.db2.gz KTILCSSPKANXNM-UHFFFAOYSA-N 0 3 238.400 3.572 20 0 BHADHN CCC1(NCc2nc3ccccc3o2)CCCC1 ZINC000451276895 202393017 /nfs/dbraw/zinc/39/30/17/202393017.db2.gz PSSWJROTEYJOEV-UHFFFAOYSA-N 0 3 244.338 3.640 20 0 BHADHN C[C@H](c1ccc(F)cc1)N1CCC(CF)CC1 ZINC000451388172 388268584 /nfs/dbraw/zinc/26/85/84/388268584.db2.gz JIQWZASRFIAJPW-LLVKDONJSA-N 0 3 239.309 3.568 20 0 BHADHN C[C@@H](c1ccc(F)cc1)N1CCC(CF)CC1 ZINC000451388173 388268605 /nfs/dbraw/zinc/26/86/05/388268605.db2.gz JIQWZASRFIAJPW-NSHDSACASA-N 0 3 239.309 3.568 20 0 BHADHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1[C@@H]1C=CCCC1 ZINC000451417389 388271434 /nfs/dbraw/zinc/27/14/34/388271434.db2.gz KQBKCXJTFFJAHA-GRYCIOLGSA-N 0 3 247.304 3.758 20 0 BHADHN C[C@@H]1C[C@H](C(F)(F)F)CCN1[C@@H]1C=CCCC1 ZINC000451417390 388271365 /nfs/dbraw/zinc/27/13/65/388271365.db2.gz KQBKCXJTFFJAHA-IJLUTSLNSA-N 0 3 247.304 3.758 20 0 BHADHN C[C@@H]1C[C@H](C(F)(F)F)CCN1[C@H]1C=CCCC1 ZINC000451417391 388271064 /nfs/dbraw/zinc/27/10/64/388271064.db2.gz KQBKCXJTFFJAHA-UTUOFQBUSA-N 0 3 247.304 3.758 20 0 BHADHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1[C@H]1C=CCCC1 ZINC000451417392 388271002 /nfs/dbraw/zinc/27/10/02/388271002.db2.gz KQBKCXJTFFJAHA-WOPDTQHZSA-N 0 3 247.304 3.758 20 0 BHADHN CCC[C@@H](NCc1ccc(F)cn1)C(C)(C)C ZINC000451430557 388272217 /nfs/dbraw/zinc/27/22/17/388272217.db2.gz CZYGZRPWZHVDHU-CYBMUJFWSA-N 0 3 238.350 3.525 20 0 BHADHN CCC[C@H](NCc1ccc(F)cn1)C(C)(C)C ZINC000451430559 388271915 /nfs/dbraw/zinc/27/19/15/388271915.db2.gz CZYGZRPWZHVDHU-ZDUSSCGKSA-N 0 3 238.350 3.525 20 0 BHADHN CCC[C@@H](NCc1nc(C)c(C)o1)C(C)(C)C ZINC000451436215 388273069 /nfs/dbraw/zinc/27/30/69/388273069.db2.gz JWEJGFRXBPHMRG-GFCCVEGCSA-N 0 3 238.375 3.596 20 0 BHADHN CCC[C@H](NCc1nc(C)c(C)o1)C(C)(C)C ZINC000451436216 388272920 /nfs/dbraw/zinc/27/29/20/388272920.db2.gz JWEJGFRXBPHMRG-LBPRGKRZSA-N 0 3 238.375 3.596 20 0 BHADHN CCCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451828165 388299158 /nfs/dbraw/zinc/29/91/58/388299158.db2.gz AXNVYNQDZNRFSK-AWEZNQCLSA-N 0 3 233.355 3.997 20 0 BHADHN CCCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451828173 388299063 /nfs/dbraw/zinc/29/90/63/388299063.db2.gz AXNVYNQDZNRFSK-CQSZACIVSA-N 0 3 233.355 3.997 20 0 BHADHN CCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451830777 388299180 /nfs/dbraw/zinc/29/91/80/388299180.db2.gz DRKCJEHUGQZNTM-CYBMUJFWSA-N 0 3 219.328 3.607 20 0 BHADHN CCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451830780 388298980 /nfs/dbraw/zinc/29/89/80/388298980.db2.gz DRKCJEHUGQZNTM-ZDUSSCGKSA-N 0 3 219.328 3.607 20 0 BHADHN CC[C@H](C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451850099 388300592 /nfs/dbraw/zinc/30/05/92/388300592.db2.gz HXTOQEWUQYLDKU-AAEUAGOBSA-N 0 3 219.328 3.605 20 0 BHADHN CC[C@@H](C)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000451850109 388300396 /nfs/dbraw/zinc/30/03/96/388300396.db2.gz HXTOQEWUQYLDKU-DGCLKSJQSA-N 0 3 219.328 3.605 20 0 BHADHN CC[C@H](C)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000451850110 388300190 /nfs/dbraw/zinc/30/01/90/388300190.db2.gz HXTOQEWUQYLDKU-WCQYABFASA-N 0 3 219.328 3.605 20 0 BHADHN CC[C@@H](C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451850112 388300319 /nfs/dbraw/zinc/30/03/19/388300319.db2.gz HXTOQEWUQYLDKU-YPMHNXCESA-N 0 3 219.328 3.605 20 0 BHADHN c1coc([C@@H]2N(CC3CCC3)CC23CCC3)c1 ZINC000451853517 385767665 /nfs/dbraw/zinc/76/76/65/385767665.db2.gz LPPHTGYSXMNOKZ-AWEZNQCLSA-N 0 3 231.339 3.607 20 0 BHADHN c1coc([C@H]2N(CC3CCC3)CC23CCC3)c1 ZINC000451853518 385769703 /nfs/dbraw/zinc/76/97/03/385769703.db2.gz LPPHTGYSXMNOKZ-CQSZACIVSA-N 0 3 231.339 3.607 20 0 BHADHN CCC[C@H](C)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000451858893 388301095 /nfs/dbraw/zinc/30/10/95/388301095.db2.gz SAAUQIRTQAQUBP-GXTWGEPZSA-N 0 3 233.355 3.995 20 0 BHADHN CCC[C@H](C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451858894 388301405 /nfs/dbraw/zinc/30/14/05/388301405.db2.gz SAAUQIRTQAQUBP-JSGCOSHPSA-N 0 3 233.355 3.995 20 0 BHADHN CCC[C@@H](C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451858895 388301458 /nfs/dbraw/zinc/30/14/58/388301458.db2.gz SAAUQIRTQAQUBP-OCCSQVGLSA-N 0 3 233.355 3.995 20 0 BHADHN CCC[C@@H](C)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000451858896 388301011 /nfs/dbraw/zinc/30/10/11/388301011.db2.gz SAAUQIRTQAQUBP-TZMCWYRMSA-N 0 3 233.355 3.995 20 0 BHADHN c1coc([C@@H]2N(CCC3CC3)CC23CCC3)c1 ZINC000451859335 388301867 /nfs/dbraw/zinc/30/18/67/388301867.db2.gz SQZMHLNRGXMWTP-AWEZNQCLSA-N 0 3 231.339 3.607 20 0 BHADHN c1coc([C@H]2N(CCC3CC3)CC23CCC3)c1 ZINC000451859336 388301781 /nfs/dbraw/zinc/30/17/81/388301781.db2.gz SQZMHLNRGXMWTP-CQSZACIVSA-N 0 3 231.339 3.607 20 0 BHADHN CCCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000451985344 387692529 /nfs/dbraw/zinc/69/25/29/387692529.db2.gz WQRFHKZFHJTKFA-CYBMUJFWSA-N 0 3 225.282 3.512 20 0 BHADHN CCCN1CCC[C@H]1c1ccc(F)cc1F ZINC000451985347 387692196 /nfs/dbraw/zinc/69/21/96/387692196.db2.gz WQRFHKZFHJTKFA-ZDUSSCGKSA-N 0 3 225.282 3.512 20 0 BHADHN Cc1nc(CN2[C@H](C)CCC2(C)C)sc1C ZINC000452005407 202510044 /nfs/dbraw/zinc/51/00/44/202510044.db2.gz JUQRDHZBNCUPBJ-SECBINFHSA-N 0 3 238.400 3.523 20 0 BHADHN Cc1nc(CN2[C@@H](C)CCC2(C)C)sc1C ZINC000452005408 387696594 /nfs/dbraw/zinc/69/65/94/387696594.db2.gz JUQRDHZBNCUPBJ-VIFPVBQESA-N 0 3 238.400 3.523 20 0 BHADHN Cc1nc(CN2[C@H](C)CCC2(C)C)c(C)s1 ZINC000452006264 387699287 /nfs/dbraw/zinc/69/92/87/387699287.db2.gz LGJCJJKDCKCEIU-SECBINFHSA-N 0 3 238.400 3.523 20 0 BHADHN Cc1nc(CN2[C@@H](C)CCC2(C)C)c(C)s1 ZINC000452006265 387700161 /nfs/dbraw/zinc/70/01/61/387700161.db2.gz LGJCJJKDCKCEIU-VIFPVBQESA-N 0 3 238.400 3.523 20 0 BHADHN C[C@@H]1CCC(C)(C)N1Cc1nc2ccccc2o1 ZINC000452008877 387699577 /nfs/dbraw/zinc/69/95/77/387699577.db2.gz PGJRYWNBYRTVMM-LLVKDONJSA-N 0 3 244.338 3.591 20 0 BHADHN C[C@H]1CCC(C)(C)N1Cc1nc2ccccc2o1 ZINC000452008878 387697605 /nfs/dbraw/zinc/69/76/05/387697605.db2.gz PGJRYWNBYRTVMM-NSHDSACASA-N 0 3 244.338 3.591 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1nccn1CC ZINC000453058904 387974862 /nfs/dbraw/zinc/97/48/62/387974862.db2.gz ADMXMMKVTFFDIV-BFHYXJOUSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1nccn1CC ZINC000453058905 387975207 /nfs/dbraw/zinc/97/52/07/387975207.db2.gz ADMXMMKVTFFDIV-MCIONIFRSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N[C@H](C)c1nccn1CC ZINC000453058907 387975542 /nfs/dbraw/zinc/97/55/42/387975542.db2.gz ADMXMMKVTFFDIV-MGPQQGTHSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nccn1CC ZINC000453058909 387975243 /nfs/dbraw/zinc/97/52/43/387975243.db2.gz ADMXMMKVTFFDIV-MJBXVCDLSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@@H](C)NCCCC1CCCC1 ZINC000453062455 387976255 /nfs/dbraw/zinc/97/62/55/387976255.db2.gz DRSKTRNVLMXGLA-CYBMUJFWSA-N 0 3 249.402 3.524 20 0 BHADHN CCn1ccnc1[C@H](C)NCCCC1CCCC1 ZINC000453062457 387977259 /nfs/dbraw/zinc/97/72/59/387977259.db2.gz DRSKTRNVLMXGLA-ZDUSSCGKSA-N 0 3 249.402 3.524 20 0 BHADHN C[C@@H]1C[C@@H](NCCCCC(C)(C)C)c2nccn21 ZINC000453105902 387986313 /nfs/dbraw/zinc/98/63/13/387986313.db2.gz IEVNHXUOCVPTSC-CHWSQXEVSA-N 0 3 249.402 3.695 20 0 BHADHN C[C@@H]1C[C@H](NCCCCC(C)(C)C)c2nccn21 ZINC000453105903 387986184 /nfs/dbraw/zinc/98/61/84/387986184.db2.gz IEVNHXUOCVPTSC-OLZOCXBDSA-N 0 3 249.402 3.695 20 0 BHADHN C[C@H]1C[C@@H](NCCCCC(C)(C)C)c2nccn21 ZINC000453105904 387986534 /nfs/dbraw/zinc/98/65/34/387986534.db2.gz IEVNHXUOCVPTSC-QWHCGFSZSA-N 0 3 249.402 3.695 20 0 BHADHN C[C@H]1C[C@H](NCCCCC(C)(C)C)c2nccn21 ZINC000453105905 387985517 /nfs/dbraw/zinc/98/55/17/387985517.db2.gz IEVNHXUOCVPTSC-STQMWFEESA-N 0 3 249.402 3.695 20 0 BHADHN CCCC[C@H](CCC)CN[C@H]1CCn2ccnc21 ZINC000453119400 387989290 /nfs/dbraw/zinc/98/92/90/387989290.db2.gz BIUUIQVXBWYPKY-KBPBESRZSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@@H](CCC)CN[C@H]1CCn2ccnc21 ZINC000453119401 387989140 /nfs/dbraw/zinc/98/91/40/387989140.db2.gz BIUUIQVXBWYPKY-KGLIPLIRSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@H](CCC)CN[C@@H]1CCn2ccnc21 ZINC000453119402 387989170 /nfs/dbraw/zinc/98/91/70/387989170.db2.gz BIUUIQVXBWYPKY-UONOGXRCSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@@H](CCC)CN[C@@H]1CCn2ccnc21 ZINC000453119403 387989205 /nfs/dbraw/zinc/98/92/05/387989205.db2.gz BIUUIQVXBWYPKY-ZIAGYGMSSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@H](CCC)CN[C@@H](C)c1ccncn1 ZINC000453128417 387993570 /nfs/dbraw/zinc/99/35/70/387993570.db2.gz MIZNJSWHIHUMAF-KBPBESRZSA-N 0 3 249.402 3.734 20 0 BHADHN CCCC[C@H](CCC)CN[C@H](C)c1ccncn1 ZINC000453128418 387992471 /nfs/dbraw/zinc/99/24/71/387992471.db2.gz MIZNJSWHIHUMAF-KGLIPLIRSA-N 0 3 249.402 3.734 20 0 BHADHN CCCC[C@@H](CCC)CN[C@@H](C)c1ccncn1 ZINC000453128420 387993173 /nfs/dbraw/zinc/99/31/73/387993173.db2.gz MIZNJSWHIHUMAF-UONOGXRCSA-N 0 3 249.402 3.734 20 0 BHADHN CCCC[C@@H](CCC)CN[C@H](C)c1ccncn1 ZINC000453128421 387993201 /nfs/dbraw/zinc/99/32/01/387993201.db2.gz MIZNJSWHIHUMAF-ZIAGYGMSSA-N 0 3 249.402 3.734 20 0 BHADHN CCn1ccnc1[C@@H](C)NCC1(CC)CCCC1 ZINC000453131008 387992853 /nfs/dbraw/zinc/99/28/53/387992853.db2.gz CKMLZGVABVMICV-CYBMUJFWSA-N 0 3 249.402 3.524 20 0 BHADHN CCn1ccnc1[C@H](C)NCC1(CC)CCCC1 ZINC000453131012 387992800 /nfs/dbraw/zinc/99/28/00/387992800.db2.gz CKMLZGVABVMICV-ZDUSSCGKSA-N 0 3 249.402 3.524 20 0 BHADHN CCn1ccnc1[C@@H](C)NCC1(C)CCCCC1 ZINC000453138051 387995372 /nfs/dbraw/zinc/99/53/72/387995372.db2.gz DMNXGDPCMVOAIO-CYBMUJFWSA-N 0 3 249.402 3.524 20 0 BHADHN CCn1ccnc1[C@H](C)NCC1(C)CCCCC1 ZINC000453138058 387995496 /nfs/dbraw/zinc/99/54/96/387995496.db2.gz DMNXGDPCMVOAIO-ZDUSSCGKSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC1(CN[C@H](C)c2nccn2CC)CCC1 ZINC000453142498 202704199 /nfs/dbraw/zinc/70/41/99/202704199.db2.gz IFUGCQIFZODHSM-CYBMUJFWSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC1(CN[C@@H](C)c2nccn2CC)CCC1 ZINC000453142499 387996583 /nfs/dbraw/zinc/99/65/83/387996583.db2.gz IFUGCQIFZODHSM-ZDUSSCGKSA-N 0 3 249.402 3.524 20 0 BHADHN CC[C@H](NCc1cncc(C)c1)c1ccsc1 ZINC000453174300 388003131 /nfs/dbraw/zinc/00/31/31/388003131.db2.gz KGWZEMTVQYUERE-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1cncc(C)c1)c1ccsc1 ZINC000453174301 388003580 /nfs/dbraw/zinc/00/35/80/388003580.db2.gz KGWZEMTVQYUERE-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN Cc1cc([C@@H](C)NCc2cncc(C)c2)cs1 ZINC000453186029 388004950 /nfs/dbraw/zinc/00/49/50/388004950.db2.gz WLAVPWHMHCMEOG-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc([C@H](C)NCc2cncc(C)c2)cs1 ZINC000453186043 388004851 /nfs/dbraw/zinc/00/48/51/388004851.db2.gz WLAVPWHMHCMEOG-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccon1)[C@@H]1CCCC[C@H]1C ZINC000453190171 388006084 /nfs/dbraw/zinc/00/60/84/388006084.db2.gz CHLLXHNNTODPDO-FVCCEPFGSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccon1)[C@H]1CCCC[C@H]1C ZINC000453190172 388006667 /nfs/dbraw/zinc/00/66/67/388006667.db2.gz CHLLXHNNTODPDO-NDBYEHHHSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccon1)[C@@H]1CCCC[C@@H]1C ZINC000453190173 388005743 /nfs/dbraw/zinc/00/57/43/388005743.db2.gz CHLLXHNNTODPDO-QNWHQSFQSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccon1)[C@H]1CCCC[C@@H]1C ZINC000453190174 202705923 /nfs/dbraw/zinc/70/59/23/202705923.db2.gz CHLLXHNNTODPDO-RNJOBUHISA-N 0 3 236.359 3.540 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@@H](C)CC1 ZINC000453210530 202708062 /nfs/dbraw/zinc/70/80/62/202708062.db2.gz CYPZMUVCWGDRDV-HZSPNIEDSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@H]1CCC[C@H](C)CC1 ZINC000453210531 388011317 /nfs/dbraw/zinc/01/13/17/388011317.db2.gz CYPZMUVCWGDRDV-IHRRRGAJSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@H](C)CC1 ZINC000453210532 388011795 /nfs/dbraw/zinc/01/17/95/388011795.db2.gz CYPZMUVCWGDRDV-MELADBBJSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@H]1CCC[C@@H](C)CC1 ZINC000453210533 202707654 /nfs/dbraw/zinc/70/76/54/202707654.db2.gz CYPZMUVCWGDRDV-RDBSUJKOSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@@H](NCCC(C)(F)F)c1cccnc1 ZINC000453215190 388012798 /nfs/dbraw/zinc/01/27/98/388012798.db2.gz FTDNAMRBVWDMAS-GFCCVEGCSA-N 0 3 242.313 3.558 20 0 BHADHN CCC[C@H](NCCC(C)(F)F)c1cccnc1 ZINC000453215192 388013153 /nfs/dbraw/zinc/01/31/53/388013153.db2.gz FTDNAMRBVWDMAS-LBPRGKRZSA-N 0 3 242.313 3.558 20 0 BHADHN CC[C@H](NCc1cscc1C)c1ccncc1 ZINC000453217626 388012747 /nfs/dbraw/zinc/01/27/47/388012747.db2.gz MLMWPIJPNDPEEI-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1cscc1C)c1ccncc1 ZINC000453217627 202710765 /nfs/dbraw/zinc/71/07/65/202710765.db2.gz MLMWPIJPNDPEEI-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN CCC[C@@H](NCCC(C)(F)F)c1ccccn1 ZINC000453218701 388013571 /nfs/dbraw/zinc/01/35/71/388013571.db2.gz KVKBSMYMYVKKTD-LLVKDONJSA-N 0 3 242.313 3.558 20 0 BHADHN CCC[C@H](NCCC(C)(F)F)c1ccccn1 ZINC000453218703 388013215 /nfs/dbraw/zinc/01/32/15/388013215.db2.gz KVKBSMYMYVKKTD-NSHDSACASA-N 0 3 242.313 3.558 20 0 BHADHN CC[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccsc1 ZINC000453222227 388014395 /nfs/dbraw/zinc/01/43/95/388014395.db2.gz KYQYQTHPJUTVNK-QJPTWQEYSA-N 0 3 227.348 3.679 20 0 BHADHN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1ccsc1 ZINC000453222228 388014979 /nfs/dbraw/zinc/01/49/79/388014979.db2.gz KYQYQTHPJUTVNK-SDDRHHMPSA-N 0 3 227.348 3.679 20 0 BHADHN CC[C@@H](N[C@H]1CCC[C@H]1F)c1ccsc1 ZINC000453222229 388014119 /nfs/dbraw/zinc/01/41/19/388014119.db2.gz KYQYQTHPJUTVNK-UTUOFQBUSA-N 0 3 227.348 3.679 20 0 BHADHN CC[C@H](N[C@H]1CCC[C@H]1F)c1ccsc1 ZINC000453222230 388015055 /nfs/dbraw/zinc/01/50/55/388015055.db2.gz KYQYQTHPJUTVNK-WOPDTQHZSA-N 0 3 227.348 3.679 20 0 BHADHN Cc1cc([C@@H](C)NCCC(C)(F)F)oc1C ZINC000453224634 388014233 /nfs/dbraw/zinc/01/42/33/388014233.db2.gz UDONKEKMQFWUHW-SECBINFHSA-N 0 3 231.286 3.592 20 0 BHADHN Cc1cc([C@H](C)NCCC(C)(F)F)oc1C ZINC000453224643 202712314 /nfs/dbraw/zinc/71/23/14/202712314.db2.gz UDONKEKMQFWUHW-VIFPVBQESA-N 0 3 231.286 3.592 20 0 BHADHN CC[C@H]1CC[C@H](N[C@@H](C)c2nccn2CC)CC1 ZINC000453225785 388016467 /nfs/dbraw/zinc/01/64/67/388016467.db2.gz BWYBLTOLJHGBAF-IHRRRGAJSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H]1CC[C@H](N[C@H](C)c2nccn2CC)CC1 ZINC000453225786 388016040 /nfs/dbraw/zinc/01/60/40/388016040.db2.gz BWYBLTOLJHGBAF-MGPQQGTHSA-N 0 3 249.402 3.522 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CCC[C@@H]2F)cs1 ZINC000453230710 388017747 /nfs/dbraw/zinc/01/77/47/388017747.db2.gz SRAFWJWUJSNMKC-ADEWGFFLSA-N 0 3 227.348 3.598 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CCC[C@H]2F)cs1 ZINC000453230718 388017849 /nfs/dbraw/zinc/01/78/49/388017849.db2.gz SRAFWJWUJSNMKC-JLLWLGSASA-N 0 3 227.348 3.598 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCC[C@H]2F)cs1 ZINC000453230721 388017478 /nfs/dbraw/zinc/01/74/78/388017478.db2.gz SRAFWJWUJSNMKC-WCQGTBRESA-N 0 3 227.348 3.598 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H]2F)cs1 ZINC000453230724 388017256 /nfs/dbraw/zinc/01/72/56/388017256.db2.gz SRAFWJWUJSNMKC-ZMLRMANQSA-N 0 3 227.348 3.598 20 0 BHADHN CC[C@H](NC1CC(C)(F)C1)c1cccc(F)c1 ZINC000453231556 388018132 /nfs/dbraw/zinc/01/81/32/388018132.db2.gz GAIUNWKSHOTJPB-MOKVOYLWSA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@@H](NC1CC(C)(F)C1)c1cccc(F)c1 ZINC000453231558 388017864 /nfs/dbraw/zinc/01/78/64/388017864.db2.gz GAIUNWKSHOTJPB-ROKHWSDSSA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@H](NC1CC(C)(F)C1)c1ccsc1 ZINC000453234592 388018575 /nfs/dbraw/zinc/01/85/75/388018575.db2.gz JALWKWHYXTZDQN-CXQJBGSLSA-N 0 3 227.348 3.679 20 0 BHADHN CC[C@@H](NC1CC(C)(F)C1)c1ccsc1 ZINC000453234593 388015715 /nfs/dbraw/zinc/01/57/15/388015715.db2.gz JALWKWHYXTZDQN-MOENNCHZSA-N 0 3 227.348 3.679 20 0 BHADHN C[C@@H](NCC[C@@H](C)CC(C)(C)C)c1ccncn1 ZINC000453235624 388018755 /nfs/dbraw/zinc/01/87/55/388018755.db2.gz XRVFCJTYHFVINQ-CHWSQXEVSA-N 0 3 249.402 3.590 20 0 BHADHN C[C@H](CCN[C@@H](C)c1ccncn1)CC(C)(C)C ZINC000453235625 388019483 /nfs/dbraw/zinc/01/94/83/388019483.db2.gz XRVFCJTYHFVINQ-OLZOCXBDSA-N 0 3 249.402 3.590 20 0 BHADHN C[C@@H](CCN[C@H](C)c1ccncn1)CC(C)(C)C ZINC000453235626 388019553 /nfs/dbraw/zinc/01/95/53/388019553.db2.gz XRVFCJTYHFVINQ-QWHCGFSZSA-N 0 3 249.402 3.590 20 0 BHADHN C[C@@H](CCN[C@@H](C)c1ccncn1)CC(C)(C)C ZINC000453235627 388019600 /nfs/dbraw/zinc/01/96/00/388019600.db2.gz XRVFCJTYHFVINQ-STQMWFEESA-N 0 3 249.402 3.590 20 0 BHADHN C[C@H](NC1CC(C)(F)C1)c1csc(Cl)c1 ZINC000453238570 388020823 /nfs/dbraw/zinc/02/08/23/388020823.db2.gz OFJJSMXTKMAKRW-DSXZHNHRSA-N 0 3 247.766 3.943 20 0 BHADHN C[C@@H](NC1CC(C)(F)C1)c1csc(Cl)c1 ZINC000453238571 388021209 /nfs/dbraw/zinc/02/12/09/388021209.db2.gz OFJJSMXTKMAKRW-DUWLDVDNSA-N 0 3 247.766 3.943 20 0 BHADHN C[C@H](NC1CC(C)(F)C1)c1ccc(F)c(F)c1 ZINC000453238655 388020417 /nfs/dbraw/zinc/02/04/17/388020417.db2.gz ABVTUXIUKUOFAW-LUHBLDKBSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@@H](NC1CC(C)(F)C1)c1ccc(F)c(F)c1 ZINC000453238657 388020124 /nfs/dbraw/zinc/02/01/24/388020124.db2.gz ABVTUXIUKUOFAW-NCZMNARYSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](NC1CC(C)(F)C1)c1cccc(Cl)c1 ZINC000453242594 388021694 /nfs/dbraw/zinc/02/16/94/388021694.db2.gz FIOITTKOAREITC-ALXWSUNGSA-N 0 3 241.737 3.881 20 0 BHADHN C[C@@H](NC1CC(C)(F)C1)c1cccc(Cl)c1 ZINC000453242596 388021592 /nfs/dbraw/zinc/02/15/92/388021592.db2.gz FIOITTKOAREITC-UHEGKEBESA-N 0 3 241.737 3.881 20 0 BHADHN C[C@@H](NC1CC(C)(F)C1)c1cccc(F)c1F ZINC000453243492 388023459 /nfs/dbraw/zinc/02/34/59/388023459.db2.gz XWPQWXQSAYPQND-BGQFSCJGSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](NC1CC(C)(F)C1)c1cccc(F)c1F ZINC000453243494 388024213 /nfs/dbraw/zinc/02/42/13/388024213.db2.gz XWPQWXQSAYPQND-BVDKZHGWSA-N 0 3 243.272 3.506 20 0 BHADHN CC[C@H](NCC1=CCCCC1)c1ccncc1 ZINC000453244057 388023469 /nfs/dbraw/zinc/02/34/69/388023469.db2.gz GSAHMLHBUFLCAX-HNNXBMFYSA-N 0 3 230.355 3.623 20 0 BHADHN CC[C@@H](NCC1=CCCCC1)c1ccncc1 ZINC000453244060 388023307 /nfs/dbraw/zinc/02/33/07/388023307.db2.gz GSAHMLHBUFLCAX-OAHLLOKOSA-N 0 3 230.355 3.623 20 0 BHADHN Cc1cc([C@H](C)NC2CC(C)(F)C2)cs1 ZINC000453244833 388023715 /nfs/dbraw/zinc/02/37/15/388023715.db2.gz ZHDFYJLDADGUBS-GCVQQVDUSA-N 0 3 227.348 3.598 20 0 BHADHN Cc1cc([C@@H](C)NC2CC(C)(F)C2)cs1 ZINC000453244836 388023630 /nfs/dbraw/zinc/02/36/30/388023630.db2.gz ZHDFYJLDADGUBS-OIKLOGQESA-N 0 3 227.348 3.598 20 0 BHADHN C[C@H](NC1CC(C)(F)C1)c1ccc(Cl)s1 ZINC000453245662 388023244 /nfs/dbraw/zinc/02/32/44/388023244.db2.gz IJXRLMGJFWTTCC-JYPKXMCJSA-N 0 3 247.766 3.943 20 0 BHADHN C[C@@H](NC1CC(C)(F)C1)c1ccc(Cl)s1 ZINC000453245665 388023228 /nfs/dbraw/zinc/02/32/28/388023228.db2.gz IJXRLMGJFWTTCC-OBEAGUGNSA-N 0 3 247.766 3.943 20 0 BHADHN C[C@H](NC1CC(C)(F)C1)c1cc(F)ccc1F ZINC000453246872 388025535 /nfs/dbraw/zinc/02/55/35/388025535.db2.gz JPXLKBJPRUSURF-LUHBLDKBSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@@H](NC1CC(C)(F)C1)c1cc(F)ccc1F ZINC000453246873 388025414 /nfs/dbraw/zinc/02/54/14/388025414.db2.gz JPXLKBJPRUSURF-NCZMNARYSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@@H](NC1CC(C)(F)C1)c1cc2ccccc2o1 ZINC000453248291 388025275 /nfs/dbraw/zinc/02/52/75/388025275.db2.gz KZSVASAKQFOZIJ-CKQAKLJMSA-N 0 3 247.313 3.974 20 0 BHADHN C[C@H](NC1CC(C)(F)C1)c1cc2ccccc2o1 ZINC000453248292 388025576 /nfs/dbraw/zinc/02/55/76/388025576.db2.gz KZSVASAKQFOZIJ-VLRKGOCCSA-N 0 3 247.313 3.974 20 0 BHADHN Cc1cncc([C@@H](C)NCC2=CCCCC2)c1 ZINC000453250277 388025041 /nfs/dbraw/zinc/02/50/41/388025041.db2.gz MPKQGLAUOTXJDG-CYBMUJFWSA-N 0 3 230.355 3.541 20 0 BHADHN Cc1cncc([C@H](C)NCC2=CCCCC2)c1 ZINC000453250278 388025768 /nfs/dbraw/zinc/02/57/68/388025768.db2.gz MPKQGLAUOTXJDG-ZDUSSCGKSA-N 0 3 230.355 3.541 20 0 BHADHN CCc1cccnc1[C@@H](C)NCC1=CCCCC1 ZINC000453250920 388026731 /nfs/dbraw/zinc/02/67/31/388026731.db2.gz NBJCLRNGMUXPCD-CYBMUJFWSA-N 0 3 244.382 3.795 20 0 BHADHN CCc1cccnc1[C@H](C)NCC1=CCCCC1 ZINC000453250921 388026506 /nfs/dbraw/zinc/02/65/06/388026506.db2.gz NBJCLRNGMUXPCD-ZDUSSCGKSA-N 0 3 244.382 3.795 20 0 BHADHN CC[C@H](C)NCc1cc(C2CC2)ccc1F ZINC000453255808 386283336 /nfs/dbraw/zinc/28/33/36/386283336.db2.gz KYPZAPOAXVLNOK-JTQLQIEISA-N 0 3 221.319 3.591 20 0 BHADHN CC[C@@H](C)NCc1cc(C2CC2)ccc1F ZINC000453255809 529374670 /nfs/dbraw/zinc/37/46/70/529374670.db2.gz KYPZAPOAXVLNOK-SNVBAGLBSA-N 0 3 221.319 3.591 20 0 BHADHN C[C@H](NC1CC(C)(F)C1)c1cc(F)cc(F)c1 ZINC000453258499 388027776 /nfs/dbraw/zinc/02/77/76/388027776.db2.gz WIAWXWQHOXAPSJ-LHKGTJRUSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@@H](NC1CC(C)(F)C1)c1cc(F)cc(F)c1 ZINC000453258500 388027601 /nfs/dbraw/zinc/02/76/01/388027601.db2.gz WIAWXWQHOXAPSJ-MWBRBAFOSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](NC1CC(C)(F)C1)c1ccc(F)cc1F ZINC000453259226 388028395 /nfs/dbraw/zinc/02/83/95/388028395.db2.gz WRISOLSCXJTNLK-LUHBLDKBSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@@H](NC1CC(C)(F)C1)c1ccc(F)cc1F ZINC000453259228 388028987 /nfs/dbraw/zinc/02/89/87/388028987.db2.gz WRISOLSCXJTNLK-NCZMNARYSA-N 0 3 243.272 3.506 20 0 BHADHN C[C@H](NC1CC(C)(F)C1)c1ccccc1Cl ZINC000453260457 388028844 /nfs/dbraw/zinc/02/88/44/388028844.db2.gz YDYRPMZZGATLEO-JBLZRFIASA-N 0 3 241.737 3.881 20 0 BHADHN C[C@@H](NC1CC(C)(F)C1)c1ccccc1Cl ZINC000453260459 388028645 /nfs/dbraw/zinc/02/86/45/388028645.db2.gz YDYRPMZZGATLEO-TTXORMCVSA-N 0 3 241.737 3.881 20 0 BHADHN CC(C)[C@H](NCC1=CCCCC1)c1cccnc1 ZINC000453262465 202721842 /nfs/dbraw/zinc/72/18/42/202721842.db2.gz ZXECGFWKICCEMO-INIZCTEOSA-N 0 3 244.382 3.869 20 0 BHADHN CC(C)[C@@H](NCC1=CCCCC1)c1cccnc1 ZINC000453262467 388027684 /nfs/dbraw/zinc/02/76/84/388027684.db2.gz ZXECGFWKICCEMO-MRXNPFEDSA-N 0 3 244.382 3.869 20 0 BHADHN CCC1(N[C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000453275674 388030960 /nfs/dbraw/zinc/03/09/60/388030960.db2.gz BTAAGJDLIMIEJV-MRVPVSSYSA-N 0 3 243.272 3.697 20 0 BHADHN CCC1(N[C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000453275677 388031272 /nfs/dbraw/zinc/03/12/72/388031272.db2.gz BTAAGJDLIMIEJV-QMMMGPOBSA-N 0 3 243.272 3.697 20 0 BHADHN CCC[C@@H](N[C@H](C)c1nccnc1C)C(C)(C)C ZINC000453281481 388032404 /nfs/dbraw/zinc/03/24/04/388032404.db2.gz CNQGTJRHHDIQFN-CHWSQXEVSA-N 0 3 249.402 3.650 20 0 BHADHN CCC[C@H](N[C@H](C)c1nccnc1C)C(C)(C)C ZINC000453281482 388032394 /nfs/dbraw/zinc/03/23/94/388032394.db2.gz CNQGTJRHHDIQFN-OLZOCXBDSA-N 0 3 249.402 3.650 20 0 BHADHN CCC[C@@H](N[C@@H](C)c1nccnc1C)C(C)(C)C ZINC000453281483 388032422 /nfs/dbraw/zinc/03/24/22/388032422.db2.gz CNQGTJRHHDIQFN-QWHCGFSZSA-N 0 3 249.402 3.650 20 0 BHADHN CCC[C@H](N[C@@H](C)c1nccnc1C)C(C)(C)C ZINC000453281484 388033066 /nfs/dbraw/zinc/03/30/66/388033066.db2.gz CNQGTJRHHDIQFN-STQMWFEESA-N 0 3 249.402 3.650 20 0 BHADHN CCC[C@H](N[C@@H](C)c1cc(C)on1)C(C)(C)C ZINC000453282400 388032920 /nfs/dbraw/zinc/03/29/20/388032920.db2.gz DNDVGECWVAAVNA-AAEUAGOBSA-N 0 3 238.375 3.848 20 0 BHADHN CCC[C@@H](N[C@H](C)c1cc(C)on1)C(C)(C)C ZINC000453282401 388032280 /nfs/dbraw/zinc/03/22/80/388032280.db2.gz DNDVGECWVAAVNA-DGCLKSJQSA-N 0 3 238.375 3.848 20 0 BHADHN CCC[C@@H](N[C@@H](C)c1cc(C)on1)C(C)(C)C ZINC000453282402 388032296 /nfs/dbraw/zinc/03/22/96/388032296.db2.gz DNDVGECWVAAVNA-WCQYABFASA-N 0 3 238.375 3.848 20 0 BHADHN CCC[C@H](N[C@H](C)c1cc(C)on1)C(C)(C)C ZINC000453282403 388033086 /nfs/dbraw/zinc/03/30/86/388033086.db2.gz DNDVGECWVAAVNA-YPMHNXCESA-N 0 3 238.375 3.848 20 0 BHADHN CCC1(N[C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000453282892 388032800 /nfs/dbraw/zinc/03/28/00/388032800.db2.gz IBPKDKXPHDXNCI-LLVKDONJSA-N 0 3 249.402 3.540 20 0 BHADHN CCC1(N[C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000453282898 388032687 /nfs/dbraw/zinc/03/26/87/388032687.db2.gz IBPKDKXPHDXNCI-NSHDSACASA-N 0 3 249.402 3.540 20 0 BHADHN CC[C@@H]1CCC[C@@H]1CN[C@H](C)c1nccs1 ZINC000453286892 388034737 /nfs/dbraw/zinc/03/47/37/388034737.db2.gz NJRXVACLOOGERW-IJLUTSLNSA-N 0 3 238.400 3.620 20 0 BHADHN CC[C@@H]1CCC[C@@H]1CN[C@@H](C)c1nccs1 ZINC000453286895 388034656 /nfs/dbraw/zinc/03/46/56/388034656.db2.gz NJRXVACLOOGERW-QJPTWQEYSA-N 0 3 238.400 3.620 20 0 BHADHN CC[C@@H]1CCC[C@H]1CN[C@@H](C)c1nccs1 ZINC000453286900 388034220 /nfs/dbraw/zinc/03/42/20/388034220.db2.gz NJRXVACLOOGERW-TUAOUCFPSA-N 0 3 238.400 3.620 20 0 BHADHN CC[C@@H]1CCC[C@H]1CN[C@H](C)c1nccs1 ZINC000453286904 388033898 /nfs/dbraw/zinc/03/38/98/388033898.db2.gz NJRXVACLOOGERW-UTUOFQBUSA-N 0 3 238.400 3.620 20 0 BHADHN CC[C@H](N[C@@H](C)CCC=C(C)C)c1ccn(C)n1 ZINC000453291413 388035778 /nfs/dbraw/zinc/03/57/78/388035778.db2.gz ULALRRBRUKEABH-KBPBESRZSA-N 0 3 249.402 3.596 20 0 BHADHN CC[C@H](N[C@H](C)CCC=C(C)C)c1ccn(C)n1 ZINC000453291415 388036357 /nfs/dbraw/zinc/03/63/57/388036357.db2.gz ULALRRBRUKEABH-KGLIPLIRSA-N 0 3 249.402 3.596 20 0 BHADHN CC[C@@H](N[C@@H](C)CCC=C(C)C)c1ccn(C)n1 ZINC000453291416 388036328 /nfs/dbraw/zinc/03/63/28/388036328.db2.gz ULALRRBRUKEABH-UONOGXRCSA-N 0 3 249.402 3.596 20 0 BHADHN CC[C@@H](N[C@H](C)CCC=C(C)C)c1ccn(C)n1 ZINC000453291417 386352195 /nfs/dbraw/zinc/35/21/95/386352195.db2.gz ULALRRBRUKEABH-ZIAGYGMSSA-N 0 3 249.402 3.596 20 0 BHADHN CCC1(N[C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000453295019 388036736 /nfs/dbraw/zinc/03/67/36/388036736.db2.gz PXZOFLFMLLQQMA-GFCCVEGCSA-N 0 3 247.386 3.591 20 0 BHADHN CCC1(N[C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000453295020 388036808 /nfs/dbraw/zinc/03/68/08/388036808.db2.gz PXZOFLFMLLQQMA-LBPRGKRZSA-N 0 3 247.386 3.591 20 0 BHADHN CCC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)C(C)(C)C ZINC000453301888 388040168 /nfs/dbraw/zinc/04/01/68/388040168.db2.gz YDIIQVQKTNIOHG-AGIUHOORSA-N 0 3 249.402 3.693 20 0 BHADHN CCC[C@H](N[C@H]1C[C@H](C)n2ccnc21)C(C)(C)C ZINC000453301891 386373230 /nfs/dbraw/zinc/37/32/30/386373230.db2.gz YDIIQVQKTNIOHG-AVGNSLFASA-N 0 3 249.402 3.693 20 0 BHADHN CCC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)C(C)(C)C ZINC000453301904 386374179 /nfs/dbraw/zinc/37/41/79/386374179.db2.gz YDIIQVQKTNIOHG-UPJWGTAASA-N 0 3 249.402 3.693 20 0 BHADHN CCC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)C(C)(C)C ZINC000453301910 386374301 /nfs/dbraw/zinc/37/43/01/386374301.db2.gz YDIIQVQKTNIOHG-XQQFMLRXSA-N 0 3 249.402 3.693 20 0 BHADHN CCC1(N[C@H](C)c2ccc3ccccc3n2)CC1 ZINC000453302374 388039479 /nfs/dbraw/zinc/03/94/79/388039479.db2.gz YUVRFSKJLZBGJF-GFCCVEGCSA-N 0 3 240.350 3.828 20 0 BHADHN CCC1(N[C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000453302375 388039486 /nfs/dbraw/zinc/03/94/86/388039486.db2.gz YUVRFSKJLZBGJF-LBPRGKRZSA-N 0 3 240.350 3.828 20 0 BHADHN CC/C=C\CN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000453303739 386379558 /nfs/dbraw/zinc/37/95/58/386379558.db2.gz ARRIEODKNUGSIS-JLVNDZCYSA-N 0 3 249.402 3.563 20 0 BHADHN CC/C=C\CN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000453303742 386379700 /nfs/dbraw/zinc/37/97/00/386379700.db2.gz ARRIEODKNUGSIS-LAUAKBEESA-N 0 3 249.402 3.563 20 0 BHADHN CC/C=C\CN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000453309441 388041081 /nfs/dbraw/zinc/04/10/81/388041081.db2.gz FBWNWOFKQFZWGO-IRBQFCFKSA-N 0 3 247.386 3.615 20 0 BHADHN CC/C=C\CN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000453309442 388041201 /nfs/dbraw/zinc/04/12/01/388041201.db2.gz FBWNWOFKQFZWGO-LLPBQKLSSA-N 0 3 247.386 3.615 20 0 BHADHN CC/C=C/CN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000453309443 388041045 /nfs/dbraw/zinc/04/10/45/388041045.db2.gz FBWNWOFKQFZWGO-LVDDQXARSA-N 0 3 247.386 3.615 20 0 BHADHN CC/C=C/CN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000453309444 388042211 /nfs/dbraw/zinc/04/22/11/388042211.db2.gz FBWNWOFKQFZWGO-WXJAXGNASA-N 0 3 247.386 3.615 20 0 BHADHN CC/C=C/CN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000453311842 388042813 /nfs/dbraw/zinc/04/28/13/388042813.db2.gz GQHHECPOXTUATA-MOVJSRMASA-N 0 3 243.272 3.721 20 0 BHADHN CC/C=C\CN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000453311843 388042947 /nfs/dbraw/zinc/04/29/47/388042947.db2.gz GQHHECPOXTUATA-WBSSQXGSSA-N 0 3 243.272 3.721 20 0 BHADHN CC/C=C/CN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000453311844 388042375 /nfs/dbraw/zinc/04/23/75/388042375.db2.gz GQHHECPOXTUATA-XNPJLODASA-N 0 3 243.272 3.721 20 0 BHADHN CC/C=C\CN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000453311845 388042556 /nfs/dbraw/zinc/04/25/56/388042556.db2.gz GQHHECPOXTUATA-XRVBUDJMSA-N 0 3 243.272 3.721 20 0 BHADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1cc(C)c(C)o1 ZINC000453315387 388043479 /nfs/dbraw/zinc/04/34/79/388043479.db2.gz ZGEPEFVQQJCPFD-RTXFEEFZSA-N 0 3 221.344 3.593 20 0 BHADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1cc(C)c(C)o1 ZINC000453315395 388043842 /nfs/dbraw/zinc/04/38/42/388043842.db2.gz ZGEPEFVQQJCPFD-UHTWSYAYSA-N 0 3 221.344 3.593 20 0 BHADHN Cc1csc(CN[C@H](C)c2cncc(C)c2)c1 ZINC000453316065 386400052 /nfs/dbraw/zinc/40/00/52/386400052.db2.gz JRCCBYCUNJWYLK-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1csc(CN[C@@H](C)c2cncc(C)c2)c1 ZINC000453316085 386398898 /nfs/dbraw/zinc/39/88/98/386398898.db2.gz JRCCBYCUNJWYLK-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC/C=C\CN[C@@H](C)c1nccc2ccccc21 ZINC000453316193 388043654 /nfs/dbraw/zinc/04/36/54/388043654.db2.gz JMXDSKSDOLXYJS-IRBQFCFKSA-N 0 3 240.350 3.852 20 0 BHADHN CC/C=C\CN[C@H](C)c1nccc2ccccc21 ZINC000453316194 388043236 /nfs/dbraw/zinc/04/32/36/388043236.db2.gz JMXDSKSDOLXYJS-LLPBQKLSSA-N 0 3 240.350 3.852 20 0 BHADHN CC[C@H](NCc1cc(C)cs1)c1ccncc1 ZINC000453317956 388045130 /nfs/dbraw/zinc/04/51/30/388045130.db2.gz LQPDBSWHDAWORX-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1cc(C)cs1)c1ccncc1 ZINC000453317957 388044988 /nfs/dbraw/zinc/04/49/88/388044988.db2.gz LQPDBSWHDAWORX-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN CC/C=C/CN[C@H](CC(C)C)c1ccccn1 ZINC000453318219 388045557 /nfs/dbraw/zinc/04/55/57/388045557.db2.gz LCZFNYXOLPYYJS-KEDPEKRHSA-N 0 3 232.371 3.725 20 0 BHADHN CC/C=C\CN[C@@H](CC(C)C)c1ccccn1 ZINC000453318220 388045249 /nfs/dbraw/zinc/04/52/49/388045249.db2.gz LCZFNYXOLPYYJS-PKYBCLHXSA-N 0 3 232.371 3.725 20 0 BHADHN CC/C=C/CN[C@@H](CC(C)C)c1ccccn1 ZINC000453318221 388045317 /nfs/dbraw/zinc/04/53/17/388045317.db2.gz LCZFNYXOLPYYJS-ZKKXHLJNSA-N 0 3 232.371 3.725 20 0 BHADHN CC/C=C\CN[C@H](CC(C)C)c1ccccn1 ZINC000453318222 388045340 /nfs/dbraw/zinc/04/53/40/388045340.db2.gz LCZFNYXOLPYYJS-ZQMJAJRESA-N 0 3 232.371 3.725 20 0 BHADHN Cc1csc(CN[C@H](C)c2cnccc2C)c1 ZINC000453319684 388045644 /nfs/dbraw/zinc/04/56/44/388045644.db2.gz NYFUCTJMPAYOSF-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1csc(CN[C@@H](C)c2cnccc2C)c1 ZINC000453319685 388045243 /nfs/dbraw/zinc/04/52/43/388045243.db2.gz NYFUCTJMPAYOSF-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC/C=C\CN[C@H](C)c1cc(C)c(C)o1 ZINC000453323817 388047005 /nfs/dbraw/zinc/04/70/05/388047005.db2.gz PZDFHKUSBYJNAG-JMEBYUIHSA-N 0 3 207.317 3.513 20 0 BHADHN CC/C=C/CN[C@@H](C)c1cc(C)c(C)o1 ZINC000453323818 388046892 /nfs/dbraw/zinc/04/68/92/388046892.db2.gz PZDFHKUSBYJNAG-MLRMMBSGSA-N 0 3 207.317 3.513 20 0 BHADHN CC/C=C/CN[C@H](C)c1cc(C)c(C)o1 ZINC000453323819 388046161 /nfs/dbraw/zinc/04/61/61/388046161.db2.gz PZDFHKUSBYJNAG-XUIVZRPNSA-N 0 3 207.317 3.513 20 0 BHADHN CC/C=C\CN[C@@H](C)c1cc(C)c(C)o1 ZINC000453323820 388046202 /nfs/dbraw/zinc/04/62/02/388046202.db2.gz PZDFHKUSBYJNAG-ZADCQDASSA-N 0 3 207.317 3.513 20 0 BHADHN CC/C=C\CN[C@@H](C)c1ccc2ccccc2n1 ZINC000453331143 388049832 /nfs/dbraw/zinc/04/98/32/388049832.db2.gz VQJHROMCIKPBPK-IRBQFCFKSA-N 0 3 240.350 3.852 20 0 BHADHN CC/C=C\CN[C@H](C)c1ccc2ccccc2n1 ZINC000453331146 388049390 /nfs/dbraw/zinc/04/93/90/388049390.db2.gz VQJHROMCIKPBPK-LLPBQKLSSA-N 0 3 240.350 3.852 20 0 BHADHN CC/C=C/CN[C@@H](C)c1ccc2ccccc2n1 ZINC000453331149 202740411 /nfs/dbraw/zinc/74/04/11/202740411.db2.gz VQJHROMCIKPBPK-LVDDQXARSA-N 0 3 240.350 3.852 20 0 BHADHN CC/C=C/CN[C@H](C)c1ccc2ccccc2n1 ZINC000453331151 388049378 /nfs/dbraw/zinc/04/93/78/388049378.db2.gz VQJHROMCIKPBPK-WXJAXGNASA-N 0 3 240.350 3.852 20 0 BHADHN CCC[C@@H]1CCC[C@H]1N[C@@H](C)c1nccn1CC ZINC000453332554 388048958 /nfs/dbraw/zinc/04/89/58/388048958.db2.gz AZQKNBPAIUQYCC-BFHYXJOUSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@@H]1CCC[C@@H]1N[C@H](C)c1nccn1CC ZINC000453332555 388049914 /nfs/dbraw/zinc/04/99/14/388049914.db2.gz AZQKNBPAIUQYCC-MCIONIFRSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@@H]1CCC[C@H]1N[C@H](C)c1nccn1CC ZINC000453332556 388049679 /nfs/dbraw/zinc/04/96/79/388049679.db2.gz AZQKNBPAIUQYCC-MGPQQGTHSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nccn1CC ZINC000453332557 388048935 /nfs/dbraw/zinc/04/89/35/388048935.db2.gz AZQKNBPAIUQYCC-MJBXVCDLSA-N 0 3 249.402 3.522 20 0 BHADHN Cc1ccc(F)c(CCN[C@H](C)c2ccco2)c1 ZINC000453333696 388048725 /nfs/dbraw/zinc/04/87/25/388048725.db2.gz BUAGUMMRFOVHST-GFCCVEGCSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1ccc(F)c(CCN[C@@H](C)c2ccco2)c1 ZINC000453333698 388049510 /nfs/dbraw/zinc/04/95/10/388049510.db2.gz BUAGUMMRFOVHST-LBPRGKRZSA-N 0 3 247.313 3.620 20 0 BHADHN CC/C=C\CN[C@@H](C)c1sc(CC)nc1C ZINC000453336481 202741208 /nfs/dbraw/zinc/74/12/08/202741208.db2.gz YHIKMSRHFUBOAV-DMEOUFDRSA-N 0 3 238.400 3.631 20 0 BHADHN CC/C=C\CN[C@H](C)c1sc(CC)nc1C ZINC000453336482 388051128 /nfs/dbraw/zinc/05/11/28/388051128.db2.gz YHIKMSRHFUBOAV-GQYWMQPJSA-N 0 3 238.400 3.631 20 0 BHADHN CCC[C@@H]1CCCC[C@@H]1CN[C@@H](C)c1ncc[nH]1 ZINC000453339450 488189348 /nfs/dbraw/zinc/18/93/48/488189348.db2.gz BMURIXQZXYIBDJ-BFHYXJOUSA-N 0 3 249.402 3.667 20 0 BHADHN CCC[C@@H]1CCCC[C@H]1CN[C@H](C)c1ncc[nH]1 ZINC000453339454 488189456 /nfs/dbraw/zinc/18/94/56/488189456.db2.gz BMURIXQZXYIBDJ-MCIONIFRSA-N 0 3 249.402 3.667 20 0 BHADHN CCC[C@@H]1CCCC[C@@H]1CN[C@H](C)c1ncc[nH]1 ZINC000453339457 488189115 /nfs/dbraw/zinc/18/91/15/488189115.db2.gz BMURIXQZXYIBDJ-MGPQQGTHSA-N 0 3 249.402 3.667 20 0 BHADHN CCC[C@@H]1CCCC[C@H]1CN[C@@H](C)c1ncc[nH]1 ZINC000453339459 488189304 /nfs/dbraw/zinc/18/93/04/488189304.db2.gz BMURIXQZXYIBDJ-MJBXVCDLSA-N 0 3 249.402 3.667 20 0 BHADHN CC[C@H](N[C@@H](C)c1cc(C)on1)C1CCCC1 ZINC000453345274 388053808 /nfs/dbraw/zinc/05/38/08/388053808.db2.gz FFDLYKJBVLSUTJ-AAEUAGOBSA-N 0 3 236.359 3.602 20 0 BHADHN CC[C@@H](N[C@H](C)c1cc(C)on1)C1CCCC1 ZINC000453345279 388053685 /nfs/dbraw/zinc/05/36/85/388053685.db2.gz FFDLYKJBVLSUTJ-DGCLKSJQSA-N 0 3 236.359 3.602 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cc(C)on1)C1CCCC1 ZINC000453345283 388053393 /nfs/dbraw/zinc/05/33/93/388053393.db2.gz FFDLYKJBVLSUTJ-WCQYABFASA-N 0 3 236.359 3.602 20 0 BHADHN CC[C@H](N[C@H](C)c1cc(C)on1)C1CCCC1 ZINC000453345288 388053165 /nfs/dbraw/zinc/05/31/65/388053165.db2.gz FFDLYKJBVLSUTJ-YPMHNXCESA-N 0 3 236.359 3.602 20 0 BHADHN CCC[C@@H](NCc1cnc(CC)o1)C(C)(C)C ZINC000453349242 388051084 /nfs/dbraw/zinc/05/10/84/388051084.db2.gz BDOCZWGRRXTART-GFCCVEGCSA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@H](NCc1cnc(CC)o1)C(C)(C)C ZINC000453349244 388050113 /nfs/dbraw/zinc/05/01/13/388050113.db2.gz BDOCZWGRRXTART-LBPRGKRZSA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@@H](N[C@@H](C)c1nccn1CC)C1CCC1 ZINC000453349611 388055266 /nfs/dbraw/zinc/05/52/66/388055266.db2.gz LPYIEZMZLVXOQC-GXTWGEPZSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@H](N[C@@H](C)c1nccn1CC)C1CCC1 ZINC000453349612 388055041 /nfs/dbraw/zinc/05/50/41/388055041.db2.gz LPYIEZMZLVXOQC-JSGCOSHPSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@H](N[C@H](C)c1nccn1CC)C1CCC1 ZINC000453349613 388054724 /nfs/dbraw/zinc/05/47/24/388054724.db2.gz LPYIEZMZLVXOQC-OCCSQVGLSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@@H](N[C@H](C)c1nccn1CC)C1CCC1 ZINC000453349614 388055913 /nfs/dbraw/zinc/05/59/13/388055913.db2.gz LPYIEZMZLVXOQC-TZMCWYRMSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@@H]1CCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000453351027 388054787 /nfs/dbraw/zinc/05/47/87/388054787.db2.gz KMAWEATVSXGWMT-BXUZGUMPSA-N 0 3 248.370 3.610 20 0 BHADHN CCC[C@H]1CCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000453351029 388054603 /nfs/dbraw/zinc/05/46/03/388054603.db2.gz KMAWEATVSXGWMT-FZMZJTMJSA-N 0 3 248.370 3.610 20 0 BHADHN CCC[C@@H]1CCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000453351032 388054835 /nfs/dbraw/zinc/05/48/35/388054835.db2.gz KMAWEATVSXGWMT-RISCZKNCSA-N 0 3 248.370 3.610 20 0 BHADHN CCC[C@H]1CCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000453351035 388055610 /nfs/dbraw/zinc/05/56/10/388055610.db2.gz KMAWEATVSXGWMT-SMDDNHRTSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H]1CCCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000453363006 388059299 /nfs/dbraw/zinc/05/92/99/388059299.db2.gz QGGOXAHVAIWQFP-BXUZGUMPSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H]1CCCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000453363009 388059809 /nfs/dbraw/zinc/05/98/09/388059809.db2.gz QGGOXAHVAIWQFP-FZMZJTMJSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000453363013 388060119 /nfs/dbraw/zinc/06/01/19/388060119.db2.gz QGGOXAHVAIWQFP-RISCZKNCSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H]1CCCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000453363017 388060209 /nfs/dbraw/zinc/06/02/09/388060209.db2.gz QGGOXAHVAIWQFP-SMDDNHRTSA-N 0 3 248.370 3.610 20 0 BHADHN CCC[C@H](NCc1cnc(C2CC2)o1)C1CCC1 ZINC000453366539 388061850 /nfs/dbraw/zinc/06/18/50/388061850.db2.gz SAKDUMWGFZCKLW-AWEZNQCLSA-N 0 3 248.370 3.610 20 0 BHADHN CCC[C@@H](NCc1cnc(C2CC2)o1)C1CCC1 ZINC000453366540 388061369 /nfs/dbraw/zinc/06/13/69/388061369.db2.gz SAKDUMWGFZCKLW-CQSZACIVSA-N 0 3 248.370 3.610 20 0 BHADHN CCC[C@H](C)[C@H](CC)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453370653 388062767 /nfs/dbraw/zinc/06/27/67/388062767.db2.gz VPWYRNCROKVFSG-CRWXNKLISA-N 0 3 249.402 3.693 20 0 BHADHN CCC[C@H](C)[C@H](CC)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453370654 388063054 /nfs/dbraw/zinc/06/30/54/388063054.db2.gz VPWYRNCROKVFSG-RFQIPJPRSA-N 0 3 249.402 3.693 20 0 BHADHN CCC[C@H](C)[C@H](CC)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453370655 388062828 /nfs/dbraw/zinc/06/28/28/388062828.db2.gz VPWYRNCROKVFSG-XDQVBPFNSA-N 0 3 249.402 3.693 20 0 BHADHN CCC[C@H](C)[C@H](CC)N[C@H]1C[C@H](C)n2ccnc21 ZINC000453370656 388062816 /nfs/dbraw/zinc/06/28/16/388062816.db2.gz VPWYRNCROKVFSG-XUXIUFHCSA-N 0 3 249.402 3.693 20 0 BHADHN CCc1ccc([C@H](C)NC[C@@H]2C[C@H]2C2CC2)o1 ZINC000453374671 388062899 /nfs/dbraw/zinc/06/28/99/388062899.db2.gz SOYKLEBBZLHFDP-JKOKRWQUSA-N 0 3 233.355 3.539 20 0 BHADHN CCc1ccc([C@@H](C)NC[C@@H]2C[C@H]2C2CC2)o1 ZINC000453374672 202753875 /nfs/dbraw/zinc/75/38/75/202753875.db2.gz SOYKLEBBZLHFDP-OSMZGAPFSA-N 0 3 233.355 3.539 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@@H]2C[C@H]2C(C)C)o1 ZINC000453376015 386493894 /nfs/dbraw/zinc/49/38/94/386493894.db2.gz XQBSIYFBYXREBO-AGIUHOORSA-N 0 3 221.344 3.531 20 0 BHADHN Cc1ccc([C@H](C)NC[C@@H]2C[C@H]2C(C)C)o1 ZINC000453376043 219888088 /nfs/dbraw/zinc/88/80/88/219888088.db2.gz XQBSIYFBYXREBO-AVGNSLFASA-N 0 3 221.344 3.531 20 0 BHADHN CCC[C@H](C)[C@H](CC)NCc1cnc(CC)o1 ZINC000453377323 388063947 /nfs/dbraw/zinc/06/39/47/388063947.db2.gz KBZSOPCEYIPGOU-AAEUAGOBSA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@@H](C)[C@@H](CC)NCc1cnc(CC)o1 ZINC000453377324 388064310 /nfs/dbraw/zinc/06/43/10/388064310.db2.gz KBZSOPCEYIPGOU-DGCLKSJQSA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@H](C)[C@@H](CC)NCc1cnc(CC)o1 ZINC000453377325 388064653 /nfs/dbraw/zinc/06/46/53/388064653.db2.gz KBZSOPCEYIPGOU-WCQYABFASA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@@H](C)[C@H](CC)NCc1cnc(CC)o1 ZINC000453377326 388064253 /nfs/dbraw/zinc/06/42/53/388064253.db2.gz KBZSOPCEYIPGOU-YPMHNXCESA-N 0 3 238.375 3.541 20 0 BHADHN CCCc1ncc(CN[C@H](CC)C(C)(C)C)o1 ZINC000453384806 388067722 /nfs/dbraw/zinc/06/77/22/388067722.db2.gz NDZYZMQJCMTVQN-GFCCVEGCSA-N 0 3 238.375 3.541 20 0 BHADHN CCCc1ncc(CN[C@@H](CC)C(C)(C)C)o1 ZINC000453384807 388066871 /nfs/dbraw/zinc/06/68/71/388066871.db2.gz NDZYZMQJCMTVQN-LBPRGKRZSA-N 0 3 238.375 3.541 20 0 BHADHN Cc1cc([C@H](C)NC[C@@H]2C[C@H]2C2CC2)oc1C ZINC000453385978 388067588 /nfs/dbraw/zinc/06/75/88/388067588.db2.gz OOENXTFAHFRTPD-BPNCWPANSA-N 0 3 233.355 3.593 20 0 BHADHN Cc1cc([C@@H](C)NC[C@@H]2C[C@H]2C2CC2)oc1C ZINC000453385979 388067946 /nfs/dbraw/zinc/06/79/46/388067946.db2.gz OOENXTFAHFRTPD-SWHYSGLUSA-N 0 3 233.355 3.593 20 0 BHADHN Cc1cc([C@@H](C)NCC(C)(C)C2=CCCC2)no1 ZINC000453388281 388066884 /nfs/dbraw/zinc/06/68/84/388066884.db2.gz FUXGQXSYFGHBPL-GFCCVEGCSA-N 0 3 248.370 3.770 20 0 BHADHN Cc1cc([C@H](C)NCC(C)(C)C2=CCCC2)no1 ZINC000453388283 202757428 /nfs/dbraw/zinc/75/74/28/202757428.db2.gz FUXGQXSYFGHBPL-LBPRGKRZSA-N 0 3 248.370 3.770 20 0 BHADHN C[C@@H](NCC1(C2CCC2)CCC1)c1ccco1 ZINC000453402109 388073425 /nfs/dbraw/zinc/07/34/25/388073425.db2.gz PPNXMKREMDXWIL-GFCCVEGCSA-N 0 3 233.355 3.901 20 0 BHADHN C[C@H](NCC1(C2CCC2)CCC1)c1ccco1 ZINC000453402110 388073024 /nfs/dbraw/zinc/07/30/24/388073024.db2.gz PPNXMKREMDXWIL-LBPRGKRZSA-N 0 3 233.355 3.901 20 0 BHADHN Cc1cc([C@@H](C)NCC2(C3CCC3)CCC2)no1 ZINC000453405522 386590889 /nfs/dbraw/zinc/59/08/89/386590889.db2.gz SSFRTWOUIQULNW-GFCCVEGCSA-N 0 3 248.370 3.604 20 0 BHADHN Cc1cc([C@H](C)NCC2(C3CCC3)CCC2)no1 ZINC000453405523 386590596 /nfs/dbraw/zinc/59/05/96/386590596.db2.gz SSFRTWOUIQULNW-LBPRGKRZSA-N 0 3 248.370 3.604 20 0 BHADHN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)c1cc(C)ccn1 ZINC000453410155 388077518 /nfs/dbraw/zinc/07/75/18/388077518.db2.gz ACKIPPYIZXLXEW-CWRNSKLLSA-N 0 3 246.398 3.865 20 0 BHADHN CC[C@]1(C(C)C)C[C@H]1N[C@H](C)c1cc(C)ccn1 ZINC000453410156 388076878 /nfs/dbraw/zinc/07/68/78/388076878.db2.gz ACKIPPYIZXLXEW-FVQBIDKESA-N 0 3 246.398 3.865 20 0 BHADHN CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)c1cc(C)ccn1 ZINC000453410158 388077312 /nfs/dbraw/zinc/07/73/12/388077312.db2.gz ACKIPPYIZXLXEW-NUEKZKHPSA-N 0 3 246.398 3.865 20 0 BHADHN CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)c1cc(C)ccn1 ZINC000453410159 388076790 /nfs/dbraw/zinc/07/67/90/388076790.db2.gz ACKIPPYIZXLXEW-VNQPRFMTSA-N 0 3 246.398 3.865 20 0 BHADHN Cc1ccc([C@H](C)NCCC2CC(F)(F)C2)o1 ZINC000453420421 388079533 /nfs/dbraw/zinc/07/95/33/388079533.db2.gz LODIGZXCQXHLPD-JTQLQIEISA-N 0 3 243.297 3.674 20 0 BHADHN Cc1ccc([C@@H](C)NCCC2CC(F)(F)C2)o1 ZINC000453420480 411490698 /nfs/dbraw/zinc/49/06/98/411490698.db2.gz LODIGZXCQXHLPD-SNVBAGLBSA-N 0 3 243.297 3.674 20 0 BHADHN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)c1cncc(C)c1 ZINC000453428386 388081248 /nfs/dbraw/zinc/08/12/48/388081248.db2.gz HRROXEHPHSMEOI-CWRNSKLLSA-N 0 3 246.398 3.865 20 0 BHADHN CC[C@]1(C(C)C)C[C@H]1N[C@H](C)c1cncc(C)c1 ZINC000453428387 386612458 /nfs/dbraw/zinc/61/24/58/386612458.db2.gz HRROXEHPHSMEOI-FVQBIDKESA-N 0 3 246.398 3.865 20 0 BHADHN CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)c1cncc(C)c1 ZINC000453428394 386612751 /nfs/dbraw/zinc/61/27/51/386612751.db2.gz HRROXEHPHSMEOI-NUEKZKHPSA-N 0 3 246.398 3.865 20 0 BHADHN CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)c1cncc(C)c1 ZINC000453428401 386612925 /nfs/dbraw/zinc/61/29/25/386612925.db2.gz HRROXEHPHSMEOI-VNQPRFMTSA-N 0 3 246.398 3.865 20 0 BHADHN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)c1ccccn1 ZINC000453437617 388082350 /nfs/dbraw/zinc/08/23/50/388082350.db2.gz LVMHPYDCKRAVKG-AEGPPILISA-N 0 3 232.371 3.557 20 0 BHADHN CC[C@]1(C(C)C)C[C@H]1N[C@H](C)c1ccccn1 ZINC000453437618 388082127 /nfs/dbraw/zinc/08/21/27/388082127.db2.gz LVMHPYDCKRAVKG-BPLDGKMQSA-N 0 3 232.371 3.557 20 0 BHADHN CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)c1ccccn1 ZINC000453437619 388082374 /nfs/dbraw/zinc/08/23/74/388082374.db2.gz LVMHPYDCKRAVKG-NWANDNLSSA-N 0 3 232.371 3.557 20 0 BHADHN CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)c1ccccn1 ZINC000453437620 388082399 /nfs/dbraw/zinc/08/23/99/388082399.db2.gz LVMHPYDCKRAVKG-VHDGCEQUSA-N 0 3 232.371 3.557 20 0 BHADHN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)c1cccnc1 ZINC000453449782 388083142 /nfs/dbraw/zinc/08/31/42/388083142.db2.gz QJTFMUIYJUWGDN-AEGPPILISA-N 0 3 232.371 3.557 20 0 BHADHN CC[C@]1(C(C)C)C[C@H]1N[C@H](C)c1cccnc1 ZINC000453449783 388083099 /nfs/dbraw/zinc/08/30/99/388083099.db2.gz QJTFMUIYJUWGDN-BPLDGKMQSA-N 0 3 232.371 3.557 20 0 BHADHN CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)c1cccnc1 ZINC000453449784 388083168 /nfs/dbraw/zinc/08/31/68/388083168.db2.gz QJTFMUIYJUWGDN-NWANDNLSSA-N 0 3 232.371 3.557 20 0 BHADHN CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)c1cccnc1 ZINC000453449785 388082882 /nfs/dbraw/zinc/08/28/82/388082882.db2.gz QJTFMUIYJUWGDN-VHDGCEQUSA-N 0 3 232.371 3.557 20 0 BHADHN CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)c1cncs1 ZINC000453453766 388083557 /nfs/dbraw/zinc/08/35/57/388083557.db2.gz TVRLYAWMVLOPHI-CYZMBNFOSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)c1cncs1 ZINC000453453767 388083590 /nfs/dbraw/zinc/08/35/90/388083590.db2.gz TVRLYAWMVLOPHI-KGYLQXTDSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@]1(C(C)C)C[C@H]1N[C@H](C)c1cncs1 ZINC000453453769 388083552 /nfs/dbraw/zinc/08/35/52/388083552.db2.gz TVRLYAWMVLOPHI-RAIGVLPGSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)c1cncs1 ZINC000453453770 388083926 /nfs/dbraw/zinc/08/39/26/388083926.db2.gz TVRLYAWMVLOPHI-WCFLWFBJSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)c1cnccc1C ZINC000453459425 388084052 /nfs/dbraw/zinc/08/40/52/388084052.db2.gz WMGWOCDDAJISHR-CWRNSKLLSA-N 0 3 246.398 3.865 20 0 BHADHN CC[C@]1(C(C)C)C[C@H]1N[C@H](C)c1cnccc1C ZINC000453459426 388084191 /nfs/dbraw/zinc/08/41/91/388084191.db2.gz WMGWOCDDAJISHR-FVQBIDKESA-N 0 3 246.398 3.865 20 0 BHADHN CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)c1cnccc1C ZINC000453459427 388083858 /nfs/dbraw/zinc/08/38/58/388083858.db2.gz WMGWOCDDAJISHR-NUEKZKHPSA-N 0 3 246.398 3.865 20 0 BHADHN CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)c1cnccc1C ZINC000453459428 388083915 /nfs/dbraw/zinc/08/39/15/388083915.db2.gz WMGWOCDDAJISHR-VNQPRFMTSA-N 0 3 246.398 3.865 20 0 BHADHN CCOc1c(Cl)cccc1CN[C@@H](C)CC ZINC000453582454 388085616 /nfs/dbraw/zinc/08/56/16/388085616.db2.gz MQNBGAVRUSHKGS-JTQLQIEISA-N 0 3 241.762 3.627 20 0 BHADHN CCOc1c(Cl)cccc1CN[C@H](C)CC ZINC000453582455 388085855 /nfs/dbraw/zinc/08/58/55/388085855.db2.gz MQNBGAVRUSHKGS-SNVBAGLBSA-N 0 3 241.762 3.627 20 0 BHADHN CCC1CN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000453602381 323154946 /nfs/dbraw/zinc/15/49/46/323154946.db2.gz JRRZHXGFPRAOFY-UHFFFAOYSA-N 0 3 243.272 3.547 20 0 BHADHN CN(Cc1ccco1)CC1CCC(F)(F)CC1 ZINC000459285994 203248631 /nfs/dbraw/zinc/24/86/31/203248631.db2.gz CQMKPUPTKOJITI-UHFFFAOYSA-N 0 3 243.297 3.537 20 0 BHADHN CN(CCc1cccc(Cl)c1)Cc1ccco1 ZINC000459295447 203250690 /nfs/dbraw/zinc/25/06/90/203250690.db2.gz QEMJPZPCOIDKFO-UHFFFAOYSA-N 0 3 249.741 3.608 20 0 BHADHN CN(Cc1ccoc1)CC1CCC(F)(F)CC1 ZINC000459296829 203250946 /nfs/dbraw/zinc/25/09/46/203250946.db2.gz HIRYYXYRTPDING-UHFFFAOYSA-N 0 3 243.297 3.537 20 0 BHADHN CN(CCc1cccc(Cl)c1)Cc1ccoc1 ZINC000459325892 203257095 /nfs/dbraw/zinc/25/70/95/203257095.db2.gz LYKHFULKBJMKKA-UHFFFAOYSA-N 0 3 249.741 3.608 20 0 BHADHN c1cc(C2CC2)ccc1CN1CCC12CCC2 ZINC000459336257 203259921 /nfs/dbraw/zinc/25/99/21/203259921.db2.gz AJGHUKDLSKORDY-UHFFFAOYSA-N 0 3 227.351 3.692 20 0 BHADHN c1ccc([C@@H]2C[C@H]2CN2Cc3ccccc3C2)cc1 ZINC000459337519 203260511 /nfs/dbraw/zinc/26/05/11/203260511.db2.gz QUAZFUFFKGLJRM-ROUUACIJSA-N 0 3 249.357 3.806 20 0 BHADHN CC(C)OC1CC(N2Cc3ccccc3[C@@H]2C)C1 ZINC000459355585 203268358 /nfs/dbraw/zinc/26/83/58/203268358.db2.gz KGPWQFHWBFBILI-GRTSSRMGSA-N 0 3 245.366 3.519 20 0 BHADHN CC(C)OC1CC(N2Cc3ccccc3[C@H]2C)C1 ZINC000459355586 203269290 /nfs/dbraw/zinc/26/92/90/203269290.db2.gz KGPWQFHWBFBILI-LRVUVFPRSA-N 0 3 245.366 3.519 20 0 BHADHN Cc1occc1CNC1CC(C(C)(C)C)C1 ZINC000459368283 324146352 /nfs/dbraw/zinc/14/63/52/324146352.db2.gz GKBDWJDDXPMKOP-UHFFFAOYSA-N 0 3 221.344 3.502 20 0 BHADHN Clc1cccc(CCN2CCC23CCC3)c1 ZINC000459371291 388243027 /nfs/dbraw/zinc/24/30/27/388243027.db2.gz JARDBYHEWCMZHL-UHFFFAOYSA-N 0 3 235.758 3.511 20 0 BHADHN Cc1occc1CNCCc1cccc(Cl)c1 ZINC000459373109 206125055 /nfs/dbraw/zinc/12/50/55/206125055.db2.gz MNXNODQRTORVQA-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN c1ccc2c(c1)SC[C@H]2NC1CC2(CCC2)C1 ZINC000459444315 388244810 /nfs/dbraw/zinc/24/48/10/388244810.db2.gz LWYBEXCZSGZPSD-CYBMUJFWSA-N 0 3 245.391 3.756 20 0 BHADHN c1ccc2c(c1)SC[C@@H]2NC1CC2(CCC2)C1 ZINC000459444331 388244813 /nfs/dbraw/zinc/24/48/13/388244813.db2.gz LWYBEXCZSGZPSD-ZDUSSCGKSA-N 0 3 245.391 3.756 20 0 BHADHN CCCC[C@@H](CCC)CNCc1cc(C)on1 ZINC000459446881 388244176 /nfs/dbraw/zinc/24/41/76/388244176.db2.gz QASRTZDMCIVDFT-CYBMUJFWSA-N 0 3 238.375 3.679 20 0 BHADHN CCCC[C@H](CCC)CNCc1cc(C)on1 ZINC000459446883 388244549 /nfs/dbraw/zinc/24/45/49/388244549.db2.gz QASRTZDMCIVDFT-ZDUSSCGKSA-N 0 3 238.375 3.679 20 0 BHADHN C[C@@]1(F)CCCN(CC2CCC(F)(F)CC2)C1 ZINC000459481843 203291566 /nfs/dbraw/zinc/29/15/66/203291566.db2.gz BMDPLKCANKSWRX-GFCCVEGCSA-N 0 3 249.320 3.636 20 0 BHADHN C[C@]1(F)CCCN(CC2CCC(F)(F)CC2)C1 ZINC000459481847 203291165 /nfs/dbraw/zinc/29/11/65/203291165.db2.gz BMDPLKCANKSWRX-LBPRGKRZSA-N 0 3 249.320 3.636 20 0 BHADHN Cc1cc(F)c(CNCCCCF)c(Cl)c1 ZINC000459559808 203301293 /nfs/dbraw/zinc/30/12/93/203301293.db2.gz PTZDINLZJBYTII-UHFFFAOYSA-N 0 3 247.716 3.627 20 0 BHADHN C(=C/c1ccccc1)\CN1CC2(C1)CCCC2 ZINC000459561917 203300909 /nfs/dbraw/zinc/30/09/09/203300909.db2.gz NZBCRZLHMGAIKI-RMKNXTFCSA-N 0 3 227.351 3.576 20 0 BHADHN C(=C\c1ccccc1)\CN1CC2(C1)CCCC2 ZINC000459561918 203301377 /nfs/dbraw/zinc/30/13/77/203301377.db2.gz NZBCRZLHMGAIKI-TWGQIWQCSA-N 0 3 227.351 3.576 20 0 BHADHN c1cc(CN2CC3(C2)CCCCC3)cs1 ZINC000459575362 203305292 /nfs/dbraw/zinc/30/52/92/203305292.db2.gz CJIPWSYFJVPBBG-UHFFFAOYSA-N 0 3 221.369 3.514 20 0 BHADHN CCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459579771 206136236 /nfs/dbraw/zinc/13/62/36/206136236.db2.gz ZLXVCMGSGHDHJF-AWEZNQCLSA-N 0 3 215.340 3.624 20 0 BHADHN CCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459579772 387065807 /nfs/dbraw/zinc/06/58/07/387065807.db2.gz ZLXVCMGSGHDHJF-CQSZACIVSA-N 0 3 215.340 3.624 20 0 BHADHN FCCCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459583644 534429869 /nfs/dbraw/zinc/42/98/69/534429869.db2.gz STEBTAVZPJQSIH-HNNXBMFYSA-N 0 3 247.357 3.963 20 0 BHADHN FCCCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459583645 534430105 /nfs/dbraw/zinc/43/01/05/534430105.db2.gz STEBTAVZPJQSIH-OAHLLOKOSA-N 0 3 247.357 3.963 20 0 BHADHN CC1(c2ccccc2)CC(N[C@H]2CCC[C@H]2F)C1 ZINC000459583850 203306267 /nfs/dbraw/zinc/30/62/67/203306267.db2.gz GMLCWODRKIZZIS-FYRZTWFESA-N 0 3 247.357 3.587 20 0 BHADHN CC1(c2ccccc2)CC(N[C@@H]2CCC[C@@H]2F)C1 ZINC000459583851 203307532 /nfs/dbraw/zinc/30/75/32/203307532.db2.gz GMLCWODRKIZZIS-PWUWZPNHSA-N 0 3 247.357 3.587 20 0 BHADHN c1csc(CN2CC3(C2)CCCCC3)c1 ZINC000459593075 203310812 /nfs/dbraw/zinc/31/08/12/203310812.db2.gz IOGJJAZFNDORGQ-UHFFFAOYSA-N 0 3 221.369 3.514 20 0 BHADHN F[C@@H]1CCC[C@@H]1NCc1ccc(C2CC2)cc1 ZINC000459594219 203309908 /nfs/dbraw/zinc/30/99/08/203309908.db2.gz RLXOCUMJLXXRSI-CABCVRRESA-N 0 3 233.330 3.544 20 0 BHADHN F[C@H]1CCC[C@H]1NCc1ccc(C2CC2)cc1 ZINC000459594224 203309469 /nfs/dbraw/zinc/30/94/69/203309469.db2.gz RLXOCUMJLXXRSI-LSDHHAIUSA-N 0 3 233.330 3.544 20 0 BHADHN Cc1cc(F)c(CNCC[C@@H](C)F)c(Cl)c1 ZINC000459597144 203311320 /nfs/dbraw/zinc/31/13/20/203311320.db2.gz VFOUTDGSBBSSIN-SECBINFHSA-N 0 3 247.716 3.625 20 0 BHADHN Cc1cc(F)c(CNCC[C@H](C)F)c(Cl)c1 ZINC000459597145 203312730 /nfs/dbraw/zinc/31/27/30/203312730.db2.gz VFOUTDGSBBSSIN-VIFPVBQESA-N 0 3 247.716 3.625 20 0 BHADHN CC(C)n1ccnc1CN[C@]1(C)CCCC[C@@H]1C ZINC000459604702 203314676 /nfs/dbraw/zinc/31/46/76/203314676.db2.gz CJQSGCNUACEURY-DZGCQCFKSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccnc1CN[C@@]1(C)CCCC[C@H]1C ZINC000459604703 203314293 /nfs/dbraw/zinc/31/42/93/203314293.db2.gz CJQSGCNUACEURY-HIFRSBDPSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccnc1CN[C@]1(C)CCCC[C@H]1C ZINC000459604704 203315101 /nfs/dbraw/zinc/31/51/01/203315101.db2.gz CJQSGCNUACEURY-UKRRQHHQSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccnc1CN[C@@]1(C)CCCC[C@@H]1C ZINC000459604705 203314239 /nfs/dbraw/zinc/31/42/39/203314239.db2.gz CJQSGCNUACEURY-ZFWWWQNUSA-N 0 3 249.402 3.522 20 0 BHADHN C[C@@H]1CCCC[C@]1(C)NCc1ncc(C2CC2)o1 ZINC000459621493 203318457 /nfs/dbraw/zinc/31/84/57/203318457.db2.gz WUYFDEWMXWDACG-ABAIWWIYSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@@H]1CCCC[C@@]1(C)NCc1ncc(C2CC2)o1 ZINC000459621496 387135517 /nfs/dbraw/zinc/13/55/17/387135517.db2.gz WUYFDEWMXWDACG-IAQYHMDHSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H]1CCCC[C@]1(C)NCc1ncc(C2CC2)o1 ZINC000459621500 387134916 /nfs/dbraw/zinc/13/49/16/387134916.db2.gz WUYFDEWMXWDACG-NHYWBVRUSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H]1CCCC[C@@]1(C)NCc1ncc(C2CC2)o1 ZINC000459621503 387135464 /nfs/dbraw/zinc/13/54/64/387135464.db2.gz WUYFDEWMXWDACG-XHDPSFHLSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H](N[C@@H]1C=CCCCCC1)c1cncc(F)c1 ZINC000459624343 203322455 /nfs/dbraw/zinc/32/24/55/203322455.db2.gz GNPXUYPGHJBIAM-SWLSCSKDSA-N 0 3 248.345 3.760 20 0 BHADHN C[C@H](N[C@H]1C=CCCCCC1)c1cncc(F)c1 ZINC000459624344 203321375 /nfs/dbraw/zinc/32/13/75/203321375.db2.gz GNPXUYPGHJBIAM-WFASDCNBSA-N 0 3 248.345 3.760 20 0 BHADHN Cc1sccc1CN1CC(C(C)(C)C)C1 ZINC000459632397 203323744 /nfs/dbraw/zinc/32/37/44/203323744.db2.gz CSAHCCDRCOAALT-UHFFFAOYSA-N 0 3 223.385 3.534 20 0 BHADHN CC(C)(C)CCN1CC(C)(CC(F)(F)F)C1 ZINC000459632772 203317806 /nfs/dbraw/zinc/31/78/06/203317806.db2.gz FHLCJBIQHMILNQ-UHFFFAOYSA-N 0 3 237.309 3.697 20 0 BHADHN CC1(CC(F)(F)F)CN(CC2CCCCC2)C1 ZINC000459637263 203325336 /nfs/dbraw/zinc/32/53/36/203325336.db2.gz LLIJTLAAPXEMRP-UHFFFAOYSA-N 0 3 249.320 3.841 20 0 BHADHN CC1(CC(F)(F)F)CN(C[C@@H]2CC=CCC2)C1 ZINC000459643195 203329611 /nfs/dbraw/zinc/32/96/11/203329611.db2.gz UTXODKSCGFXGAQ-LLVKDONJSA-N 0 3 247.304 3.617 20 0 BHADHN CC1(CC(F)(F)F)CN(C[C@H]2CC=CCC2)C1 ZINC000459643197 203328507 /nfs/dbraw/zinc/32/85/07/203328507.db2.gz UTXODKSCGFXGAQ-NSHDSACASA-N 0 3 247.304 3.617 20 0 BHADHN Fc1ccccc1[C@@H]1C[C@H]1NCc1ccsc1 ZINC000459653058 203330053 /nfs/dbraw/zinc/33/00/53/203330053.db2.gz BEJJGFWSABNPMM-GXTWGEPZSA-N 0 3 247.338 3.533 20 0 BHADHN Fc1ccccc1[C@@H]1C[C@H]1NCc1cccs1 ZINC000459657151 203330122 /nfs/dbraw/zinc/33/01/22/203330122.db2.gz NFTWEBBYCGKUEJ-GXTWGEPZSA-N 0 3 247.338 3.533 20 0 BHADHN Cc1ccc(CNC2CC(C(C)(C)C)C2)nc1C ZINC000459661981 203332146 /nfs/dbraw/zinc/33/21/46/203332146.db2.gz GKMOEPOIDQVDLS-UHFFFAOYSA-N 0 3 246.398 3.613 20 0 BHADHN Cc1ncc(CN[C@@H](C)C[C@H](C)CC(C)C)o1 ZINC000459673213 203333705 /nfs/dbraw/zinc/33/37/05/203333705.db2.gz JFDVMQZNGHNYEM-NEPJUHHUSA-N 0 3 238.375 3.533 20 0 BHADHN Cc1ncc(CN[C@H](C)C[C@@H](C)CC(C)C)o1 ZINC000459673214 203333941 /nfs/dbraw/zinc/33/39/41/203333941.db2.gz JFDVMQZNGHNYEM-NWDGAFQWSA-N 0 3 238.375 3.533 20 0 BHADHN Cc1ncc(CN[C@@H](C)C[C@@H](C)CC(C)C)o1 ZINC000459673215 203333828 /nfs/dbraw/zinc/33/38/28/203333828.db2.gz JFDVMQZNGHNYEM-RYUDHWBXSA-N 0 3 238.375 3.533 20 0 BHADHN Cc1ncc(CN[C@H](C)C[C@H](C)CC(C)C)o1 ZINC000459673216 203333564 /nfs/dbraw/zinc/33/35/64/203333564.db2.gz JFDVMQZNGHNYEM-VXGBXAGGSA-N 0 3 238.375 3.533 20 0 BHADHN CCCC[C@@H](CC)CCNCc1cnc(C)o1 ZINC000459674329 487788656 /nfs/dbraw/zinc/78/86/56/487788656.db2.gz KXYZZGYZOOVNPX-CYBMUJFWSA-N 0 3 238.375 3.679 20 0 BHADHN CCCC[C@H](CC)CCNCc1cnc(C)o1 ZINC000459674331 487788371 /nfs/dbraw/zinc/78/83/71/487788371.db2.gz KXYZZGYZOOVNPX-ZDUSSCGKSA-N 0 3 238.375 3.679 20 0 BHADHN Cc1ccc(CNC2CCC(C(F)F)CC2)o1 ZINC000459722153 203341673 /nfs/dbraw/zinc/34/16/73/203341673.db2.gz ZLIFMGUUBMVVTH-UHFFFAOYSA-N 0 3 243.297 3.502 20 0 BHADHN CN(Cc1ccc(Cl)o1)C1CC(C)(C)C1 ZINC000459727059 203343366 /nfs/dbraw/zinc/34/33/66/203343366.db2.gz HCGWEKMUXBRAEI-UHFFFAOYSA-N 0 3 227.735 3.553 20 0 BHADHN C[C@]1(NCc2csc(C3CC3)n2)CC=CCC1 ZINC000459741990 203349177 /nfs/dbraw/zinc/34/91/77/203349177.db2.gz BFHVTIJLVKHLDE-AWEZNQCLSA-N 0 3 248.395 3.609 20 0 BHADHN C[C@@]1(NCc2csc(C3CC3)n2)CC=CCC1 ZINC000459741994 203350185 /nfs/dbraw/zinc/35/01/85/203350185.db2.gz BFHVTIJLVKHLDE-CQSZACIVSA-N 0 3 248.395 3.609 20 0 BHADHN CC(=O)c1ccc(CN(C)C2CC(C)(C)C2)cc1 ZINC000459743631 203351764 /nfs/dbraw/zinc/35/17/64/203351764.db2.gz CZAUVSJOSMVGNL-UHFFFAOYSA-N 0 3 245.366 3.510 20 0 BHADHN Clc1ccc(CNC2(C3CCC3)CCC2)o1 ZINC000459764851 203361326 /nfs/dbraw/zinc/36/13/26/203361326.db2.gz ZQVNQIFRNGURCH-UHFFFAOYSA-N 0 3 239.746 3.745 20 0 BHADHN CCC[C@H](NCc1nccn1C(C)C)C1CCC1 ZINC000459767371 387289341 /nfs/dbraw/zinc/28/93/41/387289341.db2.gz AALFAODIKGWEMQ-AWEZNQCLSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@@H](NCc1nccn1C(C)C)C1CCC1 ZINC000459767378 387288945 /nfs/dbraw/zinc/28/89/45/387288945.db2.gz AALFAODIKGWEMQ-CQSZACIVSA-N 0 3 249.402 3.522 20 0 BHADHN CC(=O)c1cccc(CN(C)C2CC(C)(C)C2)c1 ZINC000459773998 527353177 /nfs/dbraw/zinc/35/31/77/527353177.db2.gz VEMPGPIOMUISIN-UHFFFAOYSA-N 0 3 245.366 3.510 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459783530 203368289 /nfs/dbraw/zinc/36/82/89/203368289.db2.gz ZXHZTAXVJFUJRS-MFHWUAJNSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459783532 203368008 /nfs/dbraw/zinc/36/80/08/203368008.db2.gz ZXHZTAXVJFUJRS-NKQKNBIVSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459783533 203368062 /nfs/dbraw/zinc/36/80/62/203368062.db2.gz ZXHZTAXVJFUJRS-SOMZYNEFSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459783535 203368745 /nfs/dbraw/zinc/36/87/45/203368745.db2.gz ZXHZTAXVJFUJRS-YXRJLALLSA-N 0 3 245.366 3.681 20 0 BHADHN CCC[C@@H](NCc1ncc(C2CC2)o1)C1CCC1 ZINC000459802968 203374185 /nfs/dbraw/zinc/37/41/85/203374185.db2.gz NHKMDGGQUYUBAY-CYBMUJFWSA-N 0 3 248.370 3.610 20 0 BHADHN CCC[C@H](NCc1ncc(C2CC2)o1)C1CCC1 ZINC000459802969 203372043 /nfs/dbraw/zinc/37/20/43/203372043.db2.gz NHKMDGGQUYUBAY-ZDUSSCGKSA-N 0 3 248.370 3.610 20 0 BHADHN CC(C)c1ccc(SC[C@@H](C)N(C)C)cc1 ZINC000460419356 384762825 /nfs/dbraw/zinc/76/28/25/384762825.db2.gz CWGAPSNNCBRGDO-GFCCVEGCSA-N 0 3 237.412 3.852 20 0 BHADHN CC(C)c1ccc(SC[C@H](C)N(C)C)cc1 ZINC000460419360 384763002 /nfs/dbraw/zinc/76/30/02/384763002.db2.gz CWGAPSNNCBRGDO-LBPRGKRZSA-N 0 3 237.412 3.852 20 0 BHADHN C[C@H](CSc1ccc2ccccc2c1)N(C)C ZINC000460447442 384820720 /nfs/dbraw/zinc/82/07/20/384820720.db2.gz LIMXSXHRBMGSRU-GFCCVEGCSA-N 0 3 245.391 3.882 20 0 BHADHN C[C@@H](CSc1ccc2ccccc2c1)N(C)C ZINC000460447443 384818740 /nfs/dbraw/zinc/81/87/40/384818740.db2.gz LIMXSXHRBMGSRU-LBPRGKRZSA-N 0 3 245.391 3.882 20 0 BHADHN Cc1cccc2c1ncc(C)c2N1CC[C@@H](C)C1 ZINC000462482145 388268502 /nfs/dbraw/zinc/26/85/02/388268502.db2.gz VHQCJKCUUMMEGF-LLVKDONJSA-N 0 3 240.350 3.698 20 0 BHADHN Cc1cccc2c1ncc(C)c2N1CC[C@H](C)C1 ZINC000462482146 388268186 /nfs/dbraw/zinc/26/81/86/388268186.db2.gz VHQCJKCUUMMEGF-NSHDSACASA-N 0 3 240.350 3.698 20 0 BHADHN Cc1cccc2c1ncc(C)c2N1CCC[C@H]1C ZINC000462487938 388268148 /nfs/dbraw/zinc/26/81/48/388268148.db2.gz GHEVUJMLESVAQD-CYBMUJFWSA-N 0 3 240.350 3.840 20 0 BHADHN Cc1cccc2c1ncc(C)c2N1CCC[C@@H]1C ZINC000462487939 388268405 /nfs/dbraw/zinc/26/84/05/388268405.db2.gz GHEVUJMLESVAQD-ZDUSSCGKSA-N 0 3 240.350 3.840 20 0 BHADHN Cc1ccoc1CNCC[C@H]1CCCC[C@@H]1C ZINC000462740496 388270141 /nfs/dbraw/zinc/27/01/41/388270141.db2.gz BNEWIKFXWBDROY-GXTWGEPZSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccoc1CNCC[C@@H]1CCCC[C@@H]1C ZINC000462740498 388270301 /nfs/dbraw/zinc/27/03/01/388270301.db2.gz BNEWIKFXWBDROY-JSGCOSHPSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccoc1CNCC[C@@H]1CCCC[C@H]1C ZINC000462740501 388269903 /nfs/dbraw/zinc/26/99/03/388269903.db2.gz BNEWIKFXWBDROY-OCCSQVGLSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccoc1CNCC[C@H]1CCCC[C@H]1C ZINC000462740503 388271170 /nfs/dbraw/zinc/27/11/70/388271170.db2.gz BNEWIKFXWBDROY-TZMCWYRMSA-N 0 3 235.371 3.894 20 0 BHADHN Fc1ccccc1CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC000462766361 388270751 /nfs/dbraw/zinc/27/07/51/388270751.db2.gz QUKIATKBPWCACC-GDBMZVCRSA-N 0 3 247.357 3.884 20 0 BHADHN Fc1ccccc1CN[C@@H]1C[C@H]1C1CCCCC1 ZINC000462766362 388271103 /nfs/dbraw/zinc/27/11/03/388271103.db2.gz QUKIATKBPWCACC-GOEBONIOSA-N 0 3 247.357 3.884 20 0 BHADHN Fc1ccccc1CN[C@H]1C[C@H]1C1CCCCC1 ZINC000462766363 388270899 /nfs/dbraw/zinc/27/08/99/388270899.db2.gz QUKIATKBPWCACC-HOCLYGCPSA-N 0 3 247.357 3.884 20 0 BHADHN Fc1ccccc1CN[C@H]1C[C@@H]1C1CCCCC1 ZINC000462766364 388271077 /nfs/dbraw/zinc/27/10/77/388271077.db2.gz QUKIATKBPWCACC-ZBFHGGJFSA-N 0 3 247.357 3.884 20 0 BHADHN C=Cc1ccc(CCN[C@H](C)c2ccco2)cc1 ZINC000462818856 388271860 /nfs/dbraw/zinc/27/18/60/388271860.db2.gz KXSLACMGRPEDMF-CYBMUJFWSA-N 0 3 241.334 3.816 20 0 BHADHN C=Cc1ccc(CCN[C@@H](C)c2ccco2)cc1 ZINC000462818857 388272000 /nfs/dbraw/zinc/27/20/00/388272000.db2.gz KXSLACMGRPEDMF-ZDUSSCGKSA-N 0 3 241.334 3.816 20 0 BHADHN Fc1ccccc1C1CN(CC2CCCCC2)C1 ZINC000462824489 224946640 /nfs/dbraw/zinc/94/66/40/224946640.db2.gz CDUGWHCAQFOYCC-UHFFFAOYSA-N 0 3 247.357 3.805 20 0 BHADHN CCN(Cc1sccc1OC)CC(C)(C)C ZINC000462828136 388272601 /nfs/dbraw/zinc/27/26/01/388272601.db2.gz TWHFRITVAYMHHE-UHFFFAOYSA-N 0 3 241.400 3.625 20 0 BHADHN CCC(CC)CN1CC(c2ccccc2F)C1 ZINC000462828440 388273009 /nfs/dbraw/zinc/27/30/09/388273009.db2.gz WAFNHAAGBIXXFW-UHFFFAOYSA-N 0 3 235.346 3.661 20 0 BHADHN CC(C)CCCN1CC(c2ccccc2F)C1 ZINC000462828803 388272589 /nfs/dbraw/zinc/27/25/89/388272589.db2.gz QMNISQXPKUZHBN-UHFFFAOYSA-N 0 3 235.346 3.661 20 0 BHADHN CCN(Cc1ccc(Cl)o1)CC(C)(C)C ZINC000462829168 388272585 /nfs/dbraw/zinc/27/25/85/388272585.db2.gz XRTWEEYCSLASKJ-UHFFFAOYSA-N 0 3 229.751 3.801 20 0 BHADHN FCCCCNCc1ccc(-c2ccccc2)o1 ZINC000462857822 388273312 /nfs/dbraw/zinc/27/33/12/388273312.db2.gz WXBHDKOWNSYARG-UHFFFAOYSA-N 0 3 247.313 3.786 20 0 BHADHN C[C@H](CF)NCc1ccc(C2CCCC2)cc1 ZINC000462905889 411344092 /nfs/dbraw/zinc/34/40/92/411344092.db2.gz FXUQQQHTSIEVTC-GFCCVEGCSA-N 0 3 235.346 3.792 20 0 BHADHN C[C@@H](CF)NCc1ccc(C2CCCC2)cc1 ZINC000462905890 411344188 /nfs/dbraw/zinc/34/41/88/411344188.db2.gz FXUQQQHTSIEVTC-LBPRGKRZSA-N 0 3 235.346 3.792 20 0 BHADHN C=Cc1ccc(CCNCc2occc2C)cc1 ZINC000462906317 411344597 /nfs/dbraw/zinc/34/45/97/411344597.db2.gz LEZQOCXCLNYRDY-UHFFFAOYSA-N 0 3 241.334 3.563 20 0 BHADHN Cc1cc(CCNCc2ccco2)ccc1Cl ZINC000462908620 411344265 /nfs/dbraw/zinc/34/42/65/411344265.db2.gz BXDILGSPQJNNEC-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN C=Cc1ccc(CCNCc2ccc(C)o2)cc1 ZINC000462915017 398012043 /nfs/dbraw/zinc/01/20/43/398012043.db2.gz UZBNIFKEEREDLW-UHFFFAOYSA-N 0 3 241.334 3.563 20 0 BHADHN Fc1ccccc1C1CN(C[C@@H]2CC=CCC2)C1 ZINC000463027537 388275452 /nfs/dbraw/zinc/27/54/52/388275452.db2.gz HITDWVGVRNESRX-CYBMUJFWSA-N 0 3 245.341 3.581 20 0 BHADHN Fc1ccccc1C1CN(C[C@H]2CC=CCC2)C1 ZINC000463027540 388275421 /nfs/dbraw/zinc/27/54/21/388275421.db2.gz HITDWVGVRNESRX-ZDUSSCGKSA-N 0 3 245.341 3.581 20 0 BHADHN CCC[C@@H](C)CN1CC(c2ccccc2F)C1 ZINC000463028248 388275799 /nfs/dbraw/zinc/27/57/99/388275799.db2.gz MCIHTLCZHQHGNZ-GFCCVEGCSA-N 0 3 235.346 3.661 20 0 BHADHN CCC[C@H](C)CN1CC(c2ccccc2F)C1 ZINC000463028249 388276031 /nfs/dbraw/zinc/27/60/31/388276031.db2.gz MCIHTLCZHQHGNZ-LBPRGKRZSA-N 0 3 235.346 3.661 20 0 BHADHN CC(C)(C)CCN1CC(c2ccccc2F)C1 ZINC000463032090 388276985 /nfs/dbraw/zinc/27/69/85/388276985.db2.gz FPOXIYNFUSOGJF-UHFFFAOYSA-N 0 3 235.346 3.661 20 0 BHADHN CCN(Cc1nc2ccccc2o1)CC(C)(C)C ZINC000463373432 388090991 /nfs/dbraw/zinc/09/09/91/388090991.db2.gz WLWKAAHNJRKWTD-UHFFFAOYSA-N 0 3 246.354 3.696 20 0 BHADHN Cc1ccoc1CNCCC1=CCCCCC1 ZINC000463696056 229177237 /nfs/dbraw/zinc/17/72/37/229177237.db2.gz BBFDTMDVOFXWPH-UHFFFAOYSA-N 0 3 233.355 3.958 20 0 BHADHN Cc1ccc(CNCCC2=CCCCCC2)nc1 ZINC000463697243 229177369 /nfs/dbraw/zinc/17/73/69/229177369.db2.gz HTZLVWNQTULMJQ-UHFFFAOYSA-N 0 3 244.382 3.760 20 0 BHADHN Cc1ccc(CNCCC2=CCCCCC2)o1 ZINC000463698325 388092088 /nfs/dbraw/zinc/09/20/88/388092088.db2.gz MGWNCTZXSZGPCC-UHFFFAOYSA-N 0 3 233.355 3.958 20 0 BHADHN CCCCOc1ccccc1CNC1CCC1 ZINC000463744738 528701383 /nfs/dbraw/zinc/70/13/83/528701383.db2.gz JOUGQBXGKHMPNX-UHFFFAOYSA-N 0 3 233.355 3.508 20 0 BHADHN CCN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000464724765 388101826 /nfs/dbraw/zinc/10/18/26/388101826.db2.gz JKZXYEHAWSTNID-KRWDZBQOSA-N 0 3 237.346 3.806 20 0 BHADHN CCN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000464724766 388102162 /nfs/dbraw/zinc/10/21/62/388102162.db2.gz JKZXYEHAWSTNID-QGZVFWFLSA-N 0 3 237.346 3.806 20 0 BHADHN Cc1ccc(CN2CCS[C@H](C(C)C)C2)cc1 ZINC000464768482 388101933 /nfs/dbraw/zinc/10/19/33/388101933.db2.gz GCTCSAVEJWQXHR-HNNXBMFYSA-N 0 3 249.423 3.568 20 0 BHADHN Cc1ccc(CN2CCS[C@@H](C(C)C)C2)cc1 ZINC000464768483 388102677 /nfs/dbraw/zinc/10/26/77/388102677.db2.gz GCTCSAVEJWQXHR-OAHLLOKOSA-N 0 3 249.423 3.568 20 0 BHADHN CC[C@@]1(C)CCCN(Cc2ccccc2F)C1 ZINC000464769006 388103466 /nfs/dbraw/zinc/10/34/66/388103466.db2.gz BHJJIUJFEABKPQ-HNNXBMFYSA-N 0 3 235.346 3.838 20 0 BHADHN CC[C@]1(C)CCCN(Cc2ccccc2F)C1 ZINC000464769007 388103947 /nfs/dbraw/zinc/10/39/47/388103947.db2.gz BHJJIUJFEABKPQ-OAHLLOKOSA-N 0 3 235.346 3.838 20 0 BHADHN CC[C@@]1(C)CCCN(Cc2ccc(F)cc2)C1 ZINC000464779991 388103121 /nfs/dbraw/zinc/10/31/21/388103121.db2.gz SOIFOKSZRMPBHR-HNNXBMFYSA-N 0 3 235.346 3.838 20 0 BHADHN CC[C@]1(C)CCCN(Cc2ccc(F)cc2)C1 ZINC000464779992 388103257 /nfs/dbraw/zinc/10/32/57/388103257.db2.gz SOIFOKSZRMPBHR-OAHLLOKOSA-N 0 3 235.346 3.838 20 0 BHADHN CC[C@@]1(C)CCCN(Cc2cccc(F)c2)C1 ZINC000464780005 388103199 /nfs/dbraw/zinc/10/31/99/388103199.db2.gz SRODQFFQWINTCK-HNNXBMFYSA-N 0 3 235.346 3.838 20 0 BHADHN CC[C@]1(C)CCCN(Cc2cccc(F)c2)C1 ZINC000464780006 388103783 /nfs/dbraw/zinc/10/37/83/388103783.db2.gz SRODQFFQWINTCK-OAHLLOKOSA-N 0 3 235.346 3.838 20 0 BHADHN Cc1cccc(CN2CCS[C@H](C(C)C)C2)c1 ZINC000464781112 388103296 /nfs/dbraw/zinc/10/32/96/388103296.db2.gz ZNURQDHZZKMISN-HNNXBMFYSA-N 0 3 249.423 3.568 20 0 BHADHN Cc1cccc(CN2CCS[C@@H](C(C)C)C2)c1 ZINC000464781113 388103706 /nfs/dbraw/zinc/10/37/06/388103706.db2.gz ZNURQDHZZKMISN-OAHLLOKOSA-N 0 3 249.423 3.568 20 0 BHADHN CC[C@H]1CN(Cc2cc(C)ccc2C)CCS1 ZINC000464786086 388103894 /nfs/dbraw/zinc/10/38/94/388103894.db2.gz KIWBAVXQPGOEOO-HNNXBMFYSA-N 0 3 249.423 3.631 20 0 BHADHN CC[C@@H]1CN(Cc2cc(C)ccc2C)CCS1 ZINC000464786087 388103417 /nfs/dbraw/zinc/10/34/17/388103417.db2.gz KIWBAVXQPGOEOO-OAHLLOKOSA-N 0 3 249.423 3.631 20 0 BHADHN CC[C@H]1CN(Cc2cc(C)cc(C)c2)CCS1 ZINC000464786176 388103071 /nfs/dbraw/zinc/10/30/71/388103071.db2.gz VWVTZDIUUBPYOB-HNNXBMFYSA-N 0 3 249.423 3.631 20 0 BHADHN CC[C@@H]1CN(Cc2cc(C)cc(C)c2)CCS1 ZINC000464786177 388103621 /nfs/dbraw/zinc/10/36/21/388103621.db2.gz VWVTZDIUUBPYOB-OAHLLOKOSA-N 0 3 249.423 3.631 20 0 BHADHN CCc1ccc(CN2CCS[C@@H](CC)C2)cc1 ZINC000464787750 388102982 /nfs/dbraw/zinc/10/29/82/388102982.db2.gz FDSVPBVZPPJFIH-HNNXBMFYSA-N 0 3 249.423 3.576 20 0 BHADHN CCc1ccc(CN2CCS[C@H](CC)C2)cc1 ZINC000464787751 388103821 /nfs/dbraw/zinc/10/38/21/388103821.db2.gz FDSVPBVZPPJFIH-OAHLLOKOSA-N 0 3 249.423 3.576 20 0 BHADHN C[C@H](c1cccc(F)c1)N1CCC(C)(C)C1 ZINC000464788994 388103886 /nfs/dbraw/zinc/10/38/86/388103886.db2.gz BOAFLPJNEAFMJB-LLVKDONJSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@@H](c1cccc(F)c1)N1CCC(C)(C)C1 ZINC000464788995 388103556 /nfs/dbraw/zinc/10/35/56/388103556.db2.gz BOAFLPJNEAFMJB-NSHDSACASA-N 0 3 221.319 3.619 20 0 BHADHN C[C@H](c1ccccc1F)N1CCC(C)(C)C1 ZINC000464792132 388105096 /nfs/dbraw/zinc/10/50/96/388105096.db2.gz IHXSQNIFIOGGNF-LLVKDONJSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@@H](c1ccccc1F)N1CCC(C)(C)C1 ZINC000464792633 388104981 /nfs/dbraw/zinc/10/49/81/388104981.db2.gz IHXSQNIFIOGGNF-NSHDSACASA-N 0 3 221.319 3.619 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1CCC(C)(C)C1 ZINC000464794202 388105080 /nfs/dbraw/zinc/10/50/80/388105080.db2.gz MGHKAFRBIYRKMI-JTQLQIEISA-N 0 3 239.309 3.758 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1CCC(C)(C)C1 ZINC000464794209 388104332 /nfs/dbraw/zinc/10/43/32/388104332.db2.gz MGHKAFRBIYRKMI-SNVBAGLBSA-N 0 3 239.309 3.758 20 0 BHADHN CC1(C)CCN(CCc2ccccc2Cl)C1 ZINC000464796844 388104406 /nfs/dbraw/zinc/10/44/06/388104406.db2.gz WZNPNQYCBNZSRD-UHFFFAOYSA-N 0 3 237.774 3.614 20 0 BHADHN C[C@H](c1ccc(F)cc1)N1CCC(C)(C)C1 ZINC000464798020 388105029 /nfs/dbraw/zinc/10/50/29/388105029.db2.gz HQIANFNVMHEIPT-LLVKDONJSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@@H](c1ccc(F)cc1)N1CCC(C)(C)C1 ZINC000464798022 388104802 /nfs/dbraw/zinc/10/48/02/388104802.db2.gz HQIANFNVMHEIPT-NSHDSACASA-N 0 3 221.319 3.619 20 0 BHADHN C[C@@H]1CC[C@H](C)N(Cc2cccc(Cl)c2)C1 ZINC000464816547 388104869 /nfs/dbraw/zinc/10/48/69/388104869.db2.gz DLLBADPSSRFYLH-NEPJUHHUSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1CC[C@H](C)CN1Cc1cccc(Cl)c1 ZINC000464816548 388104878 /nfs/dbraw/zinc/10/48/78/388104878.db2.gz DLLBADPSSRFYLH-NWDGAFQWSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@H]1CC[C@H](C)N(Cc2cccc(Cl)c2)C1 ZINC000464816549 388105107 /nfs/dbraw/zinc/10/51/07/388105107.db2.gz DLLBADPSSRFYLH-RYUDHWBXSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1CC[C@@H](C)N(Cc2cccc(Cl)c2)C1 ZINC000464816551 388104697 /nfs/dbraw/zinc/10/46/97/388104697.db2.gz DLLBADPSSRFYLH-VXGBXAGGSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1CC[C@H](C)N(Cc2ccccc2Cl)C1 ZINC000464821810 388105075 /nfs/dbraw/zinc/10/50/75/388105075.db2.gz JCJVOJVIVJJEFF-NEPJUHHUSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1CC[C@H](C)CN1Cc1ccccc1Cl ZINC000464821811 388105014 /nfs/dbraw/zinc/10/50/14/388105014.db2.gz JCJVOJVIVJJEFF-NWDGAFQWSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@H]1CC[C@H](C)N(Cc2ccccc2Cl)C1 ZINC000464821812 388104989 /nfs/dbraw/zinc/10/49/89/388104989.db2.gz JCJVOJVIVJJEFF-RYUDHWBXSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1CC[C@@H](C)N(Cc2ccccc2Cl)C1 ZINC000464821813 388104561 /nfs/dbraw/zinc/10/45/61/388104561.db2.gz JCJVOJVIVJJEFF-VXGBXAGGSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1CC[C@H](C)N(Cc2ccc(Cl)cc2)C1 ZINC000464826617 388104458 /nfs/dbraw/zinc/10/44/58/388104458.db2.gz ZVOSNUMOPPSYTB-NEPJUHHUSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1CC[C@H](C)CN1Cc1ccc(Cl)cc1 ZINC000464826618 388104213 /nfs/dbraw/zinc/10/42/13/388104213.db2.gz ZVOSNUMOPPSYTB-NWDGAFQWSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@H]1CC[C@H](C)N(Cc2ccc(Cl)cc2)C1 ZINC000464826619 388104136 /nfs/dbraw/zinc/10/41/36/388104136.db2.gz ZVOSNUMOPPSYTB-RYUDHWBXSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1CC[C@@H](C)N(Cc2ccc(Cl)cc2)C1 ZINC000464826620 388104378 /nfs/dbraw/zinc/10/43/78/388104378.db2.gz ZVOSNUMOPPSYTB-VXGBXAGGSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@H](c1ccccc1Cl)N1CCC[C@H]1C ZINC000464829691 388104443 /nfs/dbraw/zinc/10/44/43/388104443.db2.gz JSAODVMXSIOFNR-GHMZBOCLSA-N 0 3 223.747 3.885 20 0 BHADHN C[C@@H](c1ccccc1Cl)N1CCC[C@H]1C ZINC000464829693 388104775 /nfs/dbraw/zinc/10/47/75/388104775.db2.gz JSAODVMXSIOFNR-MNOVXSKESA-N 0 3 223.747 3.885 20 0 BHADHN C[C@@H](c1ccccc1Cl)N1CCC[C@@H]1C ZINC000464829694 388104298 /nfs/dbraw/zinc/10/42/98/388104298.db2.gz JSAODVMXSIOFNR-QWRGUYRKSA-N 0 3 223.747 3.885 20 0 BHADHN C[C@H](c1ccccc1Cl)N1CCC[C@@H]1C ZINC000464829695 388104817 /nfs/dbraw/zinc/10/48/17/388104817.db2.gz JSAODVMXSIOFNR-WDEREUQCSA-N 0 3 223.747 3.885 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1CCC[C@H]1C ZINC000464829769 388104229 /nfs/dbraw/zinc/10/42/29/388104229.db2.gz KBNSNBROMQDXQL-GHMZBOCLSA-N 0 3 223.747 3.885 20 0 BHADHN C[C@@H](c1cccc(Cl)c1)N1CCC[C@H]1C ZINC000464829770 388104944 /nfs/dbraw/zinc/10/49/44/388104944.db2.gz KBNSNBROMQDXQL-MNOVXSKESA-N 0 3 223.747 3.885 20 0 BHADHN C[C@@H](c1cccc(Cl)c1)N1CCC[C@@H]1C ZINC000464829772 388105102 /nfs/dbraw/zinc/10/51/02/388105102.db2.gz KBNSNBROMQDXQL-QWRGUYRKSA-N 0 3 223.747 3.885 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1CCC[C@@H]1C ZINC000464829774 388104308 /nfs/dbraw/zinc/10/43/08/388104308.db2.gz KBNSNBROMQDXQL-WDEREUQCSA-N 0 3 223.747 3.885 20 0 BHADHN C[C@@H](c1c(F)cccc1F)N1C[C@H](C)[C@H](C)C1 ZINC000464830629 388104548 /nfs/dbraw/zinc/10/45/48/388104548.db2.gz JCHYMEGQITUUPU-AXFHLTTASA-N 0 3 239.309 3.614 20 0 BHADHN C[C@H](c1c(F)cccc1F)N1C[C@@H](C)[C@H](C)C1 ZINC000464830630 388105536 /nfs/dbraw/zinc/10/55/36/388105536.db2.gz JCHYMEGQITUUPU-GMTAPVOTSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@@H](c1c(F)cccc1F)N1C[C@@H](C)[C@H](C)C1 ZINC000464830631 388105552 /nfs/dbraw/zinc/10/55/52/388105552.db2.gz JCHYMEGQITUUPU-MXWKQRLJSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@H](c1c(F)cccc1F)N1C[C@H](C)[C@H](C)C1 ZINC000464830632 388106293 /nfs/dbraw/zinc/10/62/93/388106293.db2.gz JCHYMEGQITUUPU-OUAUKWLOSA-N 0 3 239.309 3.614 20 0 BHADHN CCc1ccc([C@@H]2C[C@@H](C)CCN2CC)o1 ZINC000464833976 388106252 /nfs/dbraw/zinc/10/62/52/388106252.db2.gz OWJAQYWXHHDUME-AAEUAGOBSA-N 0 3 221.344 3.635 20 0 BHADHN CCc1ccc([C@H]2C[C@H](C)CCN2CC)o1 ZINC000464833977 388105675 /nfs/dbraw/zinc/10/56/75/388105675.db2.gz OWJAQYWXHHDUME-DGCLKSJQSA-N 0 3 221.344 3.635 20 0 BHADHN CCc1ccc([C@H]2C[C@@H](C)CCN2CC)o1 ZINC000464833978 388106118 /nfs/dbraw/zinc/10/61/18/388106118.db2.gz OWJAQYWXHHDUME-WCQYABFASA-N 0 3 221.344 3.635 20 0 BHADHN CCc1ccc([C@@H]2C[C@H](C)CCN2CC)o1 ZINC000464833979 388105785 /nfs/dbraw/zinc/10/57/85/388105785.db2.gz OWJAQYWXHHDUME-YPMHNXCESA-N 0 3 221.344 3.635 20 0 BHADHN C[C@H]1CCCN1CCc1c(F)cccc1Cl ZINC000464834733 388105618 /nfs/dbraw/zinc/10/56/18/388105618.db2.gz SZXGFHIPNWLTPO-JTQLQIEISA-N 0 3 241.737 3.506 20 0 BHADHN C[C@@H]1CCCN1CCc1c(F)cccc1Cl ZINC000464834735 388106281 /nfs/dbraw/zinc/10/62/81/388106281.db2.gz SZXGFHIPNWLTPO-SNVBAGLBSA-N 0 3 241.737 3.506 20 0 BHADHN C[C@@H](c1cc(F)ccc1F)N1C[C@H](C)[C@H](C)C1 ZINC000464839367 388105759 /nfs/dbraw/zinc/10/57/59/388105759.db2.gz XZOSFHHDUKLADC-AXFHLTTASA-N 0 3 239.309 3.614 20 0 BHADHN C[C@H](c1cc(F)ccc1F)N1C[C@@H](C)[C@H](C)C1 ZINC000464839368 388106310 /nfs/dbraw/zinc/10/63/10/388106310.db2.gz XZOSFHHDUKLADC-GMTAPVOTSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@@H](c1cc(F)ccc1F)N1C[C@@H](C)[C@H](C)C1 ZINC000464839369 534046628 /nfs/dbraw/zinc/04/66/28/534046628.db2.gz XZOSFHHDUKLADC-MXWKQRLJSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@H](c1cc(F)ccc1F)N1C[C@H](C)[C@H](C)C1 ZINC000464839370 388105632 /nfs/dbraw/zinc/10/56/32/388105632.db2.gz XZOSFHHDUKLADC-OUAUKWLOSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@@H](c1ccc(F)cc1F)N1C[C@H](C)[C@H](C)C1 ZINC000464842238 388105922 /nfs/dbraw/zinc/10/59/22/388105922.db2.gz ZUXWHRCLDZRUHY-AXFHLTTASA-N 0 3 239.309 3.614 20 0 BHADHN C[C@H](c1ccc(F)cc1F)N1C[C@@H](C)[C@H](C)C1 ZINC000464842239 388106003 /nfs/dbraw/zinc/10/60/03/388106003.db2.gz ZUXWHRCLDZRUHY-GMTAPVOTSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@@H](c1ccc(F)cc1F)N1C[C@@H](C)[C@H](C)C1 ZINC000464842240 388105639 /nfs/dbraw/zinc/10/56/39/388105639.db2.gz ZUXWHRCLDZRUHY-MXWKQRLJSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@H](c1ccc(F)cc1F)N1C[C@H](C)[C@H](C)C1 ZINC000464842241 388105854 /nfs/dbraw/zinc/10/58/54/388105854.db2.gz ZUXWHRCLDZRUHY-OUAUKWLOSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1C[C@H](C)[C@H](C)C1 ZINC000464842645 388104128 /nfs/dbraw/zinc/10/41/28/388104128.db2.gz KAGRFEUOOUENBW-AXFHLTTASA-N 0 3 239.309 3.614 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1C[C@@H](C)[C@H](C)C1 ZINC000464842646 388104645 /nfs/dbraw/zinc/10/46/45/388104645.db2.gz KAGRFEUOOUENBW-GMTAPVOTSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1C[C@@H](C)[C@H](C)C1 ZINC000464842647 388104671 /nfs/dbraw/zinc/10/46/71/388104671.db2.gz KAGRFEUOOUENBW-MXWKQRLJSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1C[C@H](C)[C@H](C)C1 ZINC000464842648 388105034 /nfs/dbraw/zinc/10/50/34/388105034.db2.gz KAGRFEUOOUENBW-OUAUKWLOSA-N 0 3 239.309 3.614 20 0 BHADHN 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398018146 /nfs/dbraw/zinc/01/81/46/398018146.db2.gz KCBUBCBSQHJNHS-ONEGZZNKSA-N 0 3 233.330 3.540 20 0 BHADHN CC/C=C\CCN1CC=C(C(F)(F)F)CC1 ZINC000466216581 398018204 /nfs/dbraw/zinc/01/82/04/398018204.db2.gz IJRDHINTINJILP-ARJAWSKDSA-N 0 3 233.277 3.537 20 0 BHADHN CC/C=C/CCN1CC=C(C(F)(F)F)CC1 ZINC000466216582 398018048 /nfs/dbraw/zinc/01/80/48/398018048.db2.gz IJRDHINTINJILP-ONEGZZNKSA-N 0 3 233.277 3.537 20 0 BHADHN CC/C=C\CCN1CCc2c(F)cccc2C1 ZINC000466220396 398017657 /nfs/dbraw/zinc/01/76/57/398017657.db2.gz RRYUGKWDESXIFV-ARJAWSKDSA-N 0 3 233.330 3.540 20 0 BHADHN CC/C=C/CCN1CCc2c(F)cccc2C1 ZINC000466220398 398018179 /nfs/dbraw/zinc/01/81/79/398018179.db2.gz RRYUGKWDESXIFV-ONEGZZNKSA-N 0 3 233.330 3.540 20 0 BHADHN CC/C=C\CCN1CCc2cccc(F)c2C1 ZINC000466231792 398017936 /nfs/dbraw/zinc/01/79/36/398017936.db2.gz QXFMJXGHCALHQY-ARJAWSKDSA-N 0 3 233.330 3.540 20 0 BHADHN CC/C=C/CCN1CCc2cccc(F)c2C1 ZINC000466231793 398018248 /nfs/dbraw/zinc/01/82/48/398018248.db2.gz 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JUPACQWDTPFFOQ-ZWNMCFTASA-N 0 3 239.309 3.972 20 0 BHADHN CC/C=C\CCN[C@H](C)c1ccc(F)cc1F ZINC000467456823 528790425 /nfs/dbraw/zinc/79/04/25/528790425.db2.gz IWPPYYYYJSBNOH-DOGVGXBMSA-N 0 3 239.309 3.972 20 0 BHADHN CC/C=C/CCN[C@H](C)c1ccc(F)cc1F ZINC000467456826 528771927 /nfs/dbraw/zinc/77/19/27/528771927.db2.gz IWPPYYYYJSBNOH-SGUJLRQBSA-N 0 3 239.309 3.972 20 0 BHADHN CC/C=C\CCN[C@@H](C)c1ccc(F)cc1F ZINC000467456828 528790612 /nfs/dbraw/zinc/79/06/12/528790612.db2.gz IWPPYYYYJSBNOH-WYGGZMRJSA-N 0 3 239.309 3.972 20 0 BHADHN CC/C=C/CCN[C@@H](C)c1ccc(F)cc1F ZINC000467456830 528772357 /nfs/dbraw/zinc/77/23/57/528772357.db2.gz IWPPYYYYJSBNOH-ZWNMCFTASA-N 0 3 239.309 3.972 20 0 BHADHN CC[C@@]1(C)CCN(c2ccnc3ccccc32)C1 ZINC000467461542 529527815 /nfs/dbraw/zinc/52/78/15/529527815.db2.gz WWFMRHLHYNEPRT-INIZCTEOSA-N 0 3 240.350 3.861 20 0 BHADHN CC[C@]1(C)CCN(c2ccnc3ccccc32)C1 ZINC000467461543 529401130 /nfs/dbraw/zinc/40/11/30/529401130.db2.gz WWFMRHLHYNEPRT-MRXNPFEDSA-N 0 3 240.350 3.861 20 0 BHADHN CC(C)CCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000467553856 527703374 /nfs/dbraw/zinc/70/33/74/527703374.db2.gz MIBVHQKETYRTDY-LLVKDONJSA-N 0 3 237.309 3.697 20 0 BHADHN CC(C)CCCN1CCC[C@H](C(F)(F)F)C1 ZINC000467553857 527703573 /nfs/dbraw/zinc/70/35/73/527703573.db2.gz MIBVHQKETYRTDY-NSHDSACASA-N 0 3 237.309 3.697 20 0 BHADHN Fc1ccc2c(c1)[C@@H](NC1CCCCCC1)CO2 ZINC000468024949 534503368 /nfs/dbraw/zinc/50/33/68/534503368.db2.gz DNACQZLCQMXMJP-AWEZNQCLSA-N 0 3 249.329 3.572 20 0 BHADHN Fc1ccc2c(c1)[C@H](NC1CCCCCC1)CO2 ZINC000468024950 534504381 /nfs/dbraw/zinc/50/43/81/534504381.db2.gz DNACQZLCQMXMJP-CQSZACIVSA-N 0 3 249.329 3.572 20 0 BHADHN Cc1cc(Cl)ccc1CN1CCC[C@H]1C ZINC000468398286 533780468 /nfs/dbraw/zinc/78/04/68/533780468.db2.gz AVXAJLJEBOMVJQ-LLVKDONJSA-N 0 3 223.747 3.633 20 0 BHADHN Cc1cc(Cl)ccc1CN1CCC[C@@H]1C ZINC000468398287 533780300 /nfs/dbraw/zinc/78/03/00/533780300.db2.gz AVXAJLJEBOMVJQ-NSHDSACASA-N 0 3 223.747 3.633 20 0 BHADHN CCCCOc1ccccc1CN(C)CC1CC1 ZINC000468402733 528700330 /nfs/dbraw/zinc/70/03/30/528700330.db2.gz LPSQXFNLHFBTSM-UHFFFAOYSA-N 0 3 247.382 3.707 20 0 BHADHN CCCCOc1ccccc1CN(C)C1CCC1 ZINC000468405474 528700608 /nfs/dbraw/zinc/70/06/08/528700608.db2.gz MTZGLHDDKURQFW-UHFFFAOYSA-N 0 3 247.382 3.850 20 0 BHADHN Cc1cc(Cl)ccc1CN1CCC12CCC2 ZINC000468408114 533778453 /nfs/dbraw/zinc/77/84/53/533778453.db2.gz LGDTWMPBVAIHBV-UHFFFAOYSA-N 0 3 235.758 3.777 20 0 BHADHN CCCCOc1ccccc1CN(C)C(C)C ZINC000468412210 386159928 /nfs/dbraw/zinc/15/99/28/386159928.db2.gz MLNAHJBKSSGMML-UHFFFAOYSA-N 0 3 235.371 3.706 20 0 BHADHN CCCCN(CCCC)Cc1ccc(F)cn1 ZINC000468823229 528404679 /nfs/dbraw/zinc/40/46/79/528404679.db2.gz FAFKSOKIBAKOJI-UHFFFAOYSA-N 0 3 238.350 3.623 20 0 BHADHN CCc1cccc(CN(C)Cc2cccs2)c1 ZINC000469036768 529168530 /nfs/dbraw/zinc/16/85/30/529168530.db2.gz SWDARRIWNOMGJR-UHFFFAOYSA-N 0 3 245.391 3.943 20 0 BHADHN CCCCCN(Cc1ccc(F)cn1)C(C)C ZINC000469211870 528181401 /nfs/dbraw/zinc/18/14/01/528181401.db2.gz XIRRAHSEMDKHBG-UHFFFAOYSA-N 0 3 238.350 3.621 20 0 BHADHN CCCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469450569 528486206 /nfs/dbraw/zinc/48/62/06/528486206.db2.gz QUGROPQYRCTIPH-LLVKDONJSA-N 0 3 239.309 3.554 20 0 BHADHN CCCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000469450570 528485852 /nfs/dbraw/zinc/48/58/52/528485852.db2.gz QUGROPQYRCTIPH-NSHDSACASA-N 0 3 239.309 3.554 20 0 BHADHN C[C@H](CCC1CC1)NC1(c2ccccc2F)CC1 ZINC000469800883 533824832 /nfs/dbraw/zinc/82/48/32/533824832.db2.gz NCBVHGHLEWTCDL-GFCCVEGCSA-N 0 3 247.357 3.983 20 0 BHADHN C[C@@H](CCC1CC1)NC1(c2ccccc2F)CC1 ZINC000469800884 225048070 /nfs/dbraw/zinc/04/80/70/225048070.db2.gz NCBVHGHLEWTCDL-LBPRGKRZSA-N 0 3 247.357 3.983 20 0 BHADHN Cc1ccc(NC2CC(C)(C)C2)c(CN(C)C)c1 ZINC000470243942 225055240 /nfs/dbraw/zinc/05/52/40/225055240.db2.gz RSZHLDHASGQOHZ-UHFFFAOYSA-N 0 3 246.398 3.657 20 0 BHADHN C[C@@H]1CN(Cc2cccc(C(F)F)c2)C[C@H]1C ZINC000470758204 225059725 /nfs/dbraw/zinc/05/97/25/225059725.db2.gz WTLCDOOGHKPMOX-GHMZBOCLSA-N 0 3 239.309 3.712 20 0 BHADHN C[C@H]1CN(Cc2cccc(C(F)F)c2)C[C@H]1C ZINC000470758205 225059841 /nfs/dbraw/zinc/05/98/41/225059841.db2.gz WTLCDOOGHKPMOX-PHIMTYICSA-N 0 3 239.309 3.712 20 0 BHADHN C[C@H]1CN(Cc2cccc(C(F)F)c2)C[C@@H]1C ZINC000470758206 225060461 /nfs/dbraw/zinc/06/04/61/225060461.db2.gz WTLCDOOGHKPMOX-QWRGUYRKSA-N 0 3 239.309 3.712 20 0 BHADHN CC[C@@H]1CCCN1Cc1cccc(C(F)F)c1 ZINC000470759193 529302136 /nfs/dbraw/zinc/30/21/36/529302136.db2.gz CGOOQDPKVFLMKB-CYBMUJFWSA-N 0 3 239.309 3.999 20 0 BHADHN CC[C@H]1CCCN1Cc1cccc(C(F)F)c1 ZINC000470759194 529220215 /nfs/dbraw/zinc/22/02/15/529220215.db2.gz CGOOQDPKVFLMKB-ZDUSSCGKSA-N 0 3 239.309 3.999 20 0 BHADHN CC[C@@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC000470762819 529327324 /nfs/dbraw/zinc/32/73/24/529327324.db2.gz YYNLCVNFTOFWAC-LLVKDONJSA-N 0 3 239.309 3.856 20 0 BHADHN CC[C@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC000470762820 529238950 /nfs/dbraw/zinc/23/89/50/529238950.db2.gz YYNLCVNFTOFWAC-NSHDSACASA-N 0 3 239.309 3.856 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2cccc(C(F)F)c2)C1 ZINC000470769616 225059811 /nfs/dbraw/zinc/05/98/11/225059811.db2.gz QAKOORBDTPMMOA-GHMZBOCLSA-N 0 3 239.309 3.855 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2cccc(C(F)F)c2)C1 ZINC000470769617 225060316 /nfs/dbraw/zinc/06/03/16/225060316.db2.gz QAKOORBDTPMMOA-MNOVXSKESA-N 0 3 239.309 3.855 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2cccc(C(F)F)c2)C1 ZINC000470769618 225060423 /nfs/dbraw/zinc/06/04/23/225060423.db2.gz QAKOORBDTPMMOA-QWRGUYRKSA-N 0 3 239.309 3.855 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1cccc(C(F)F)c1 ZINC000470769619 533805202 /nfs/dbraw/zinc/80/52/02/533805202.db2.gz QAKOORBDTPMMOA-WDEREUQCSA-N 0 3 239.309 3.855 20 0 BHADHN CC1(C)CCN(Cc2cccc(C(F)F)c2)C1 ZINC000470774931 529009936 /nfs/dbraw/zinc/00/99/36/529009936.db2.gz VJLIIDVLMLMFSU-UHFFFAOYSA-N 0 3 239.309 3.856 20 0 BHADHN C(=C/c1ccccc1)\CN1CCCC2(CCC2)C1 ZINC000470872723 527466932 /nfs/dbraw/zinc/46/69/32/527466932.db2.gz KPCQDFGGHJIZJW-RUDMXATFSA-N 0 3 241.378 3.966 20 0 BHADHN C(=C\c1ccccc1)\CN1CCCC2(CCC2)C1 ZINC000470872739 527471049 /nfs/dbraw/zinc/47/10/49/527471049.db2.gz KPCQDFGGHJIZJW-WTKPLQERSA-N 0 3 241.378 3.966 20 0 BHADHN CCC(C)(C)N(C)Cc1ccn(C2CCCC2)n1 ZINC000471011318 528540124 /nfs/dbraw/zinc/54/01/24/528540124.db2.gz ZEUAUQPXMPJLAS-UHFFFAOYSA-N 0 3 249.402 3.619 20 0 BHADHN CSc1ccccc1CN(C)[C@H]1C=CCCC1 ZINC000471018411 533040333 /nfs/dbraw/zinc/04/03/33/533040333.db2.gz KGIMCKJLBXENEY-AWEZNQCLSA-N 0 3 247.407 3.949 20 0 BHADHN CSc1ccccc1CN(C)[C@@H]1C=CCCC1 ZINC000471018412 533039390 /nfs/dbraw/zinc/03/93/90/533039390.db2.gz KGIMCKJLBXENEY-CQSZACIVSA-N 0 3 247.407 3.949 20 0 BHADHN Cc1ccccc1CN1CC[C@H]1c1ccccc1 ZINC000471174065 225065217 /nfs/dbraw/zinc/06/52/17/225065217.db2.gz WVYZWYFUXLWAPP-KRWDZBQOSA-N 0 3 237.346 3.942 20 0 BHADHN Cc1ccccc1CN1CC[C@@H]1c1ccccc1 ZINC000471174066 225064589 /nfs/dbraw/zinc/06/45/89/225064589.db2.gz WVYZWYFUXLWAPP-QGZVFWFLSA-N 0 3 237.346 3.942 20 0 BHADHN Cc1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000471188127 533955890 /nfs/dbraw/zinc/95/58/90/533955890.db2.gz USUMUNFSVINPFM-KRWDZBQOSA-N 0 3 237.346 3.942 20 0 BHADHN Cc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC000471188128 533949612 /nfs/dbraw/zinc/94/96/12/533949612.db2.gz USUMUNFSVINPFM-QGZVFWFLSA-N 0 3 237.346 3.942 20 0 BHADHN CCSc1cccc(CN[C@H]2C=CCCC2)c1 ZINC000472060407 529253305 /nfs/dbraw/zinc/25/33/05/529253305.db2.gz UASGFQLMNJCONV-AWEZNQCLSA-N 0 3 247.407 3.997 20 0 BHADHN CCSc1cccc(CN[C@@H]2C=CCCC2)c1 ZINC000472060408 529252649 /nfs/dbraw/zinc/25/26/49/529252649.db2.gz UASGFQLMNJCONV-CQSZACIVSA-N 0 3 247.407 3.997 20 0 BHADHN CC(C)Cc1ccc(CNC(C)(C)CF)cc1 ZINC000472136391 528649404 /nfs/dbraw/zinc/64/94/04/528649404.db2.gz LAPQDCHFCRWLSD-UHFFFAOYSA-N 0 3 237.362 3.723 20 0 BHADHN CC(C)(CF)NCc1ccc2ccccc2c1 ZINC000472145056 527068009 /nfs/dbraw/zinc/06/80/09/527068009.db2.gz AJJDHCBPZNQXPZ-UHFFFAOYSA-N 0 3 231.314 3.678 20 0 BHADHN CC(C)(C)c1ccc(CNC(C)(C)CF)cc1 ZINC000472154188 526777714 /nfs/dbraw/zinc/77/77/14/526777714.db2.gz INBXYZTZHLGEGL-UHFFFAOYSA-N 0 3 237.362 3.822 20 0 BHADHN Cc1ccc2[nH]c(CNC(C)(C)CF)cc2c1C ZINC000472155160 534358223 /nfs/dbraw/zinc/35/82/23/534358223.db2.gz JQNZHWFJLJGLKU-UHFFFAOYSA-N 0 3 248.345 3.622 20 0 BHADHN CN(Cc1cc2ccccc2o1)[C@H]1C=CCCC1 ZINC000472278770 529981266 /nfs/dbraw/zinc/98/12/66/529981266.db2.gz OOXKBIVQWJFDSE-AWEZNQCLSA-N 0 3 241.334 3.973 20 0 BHADHN CN(Cc1cc2ccccc2o1)[C@@H]1C=CCCC1 ZINC000472278772 529980882 /nfs/dbraw/zinc/98/08/82/529980882.db2.gz OOXKBIVQWJFDSE-CQSZACIVSA-N 0 3 241.334 3.973 20 0 BHADHN CC(C)COc1ccccc1CN(C)C(C)C ZINC000472584274 528180730 /nfs/dbraw/zinc/18/07/30/528180730.db2.gz HJKOIAHUOLZMME-UHFFFAOYSA-N 0 3 235.371 3.562 20 0 BHADHN CCCN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000472928474 528182228 /nfs/dbraw/zinc/18/22/28/528182228.db2.gz QXGRNKFUYPNFDF-UHFFFAOYSA-N 0 3 245.366 3.584 20 0 BHADHN CC(C)c1ccc(CCNC(C)(C)CF)cc1 ZINC000473067823 528087130 /nfs/dbraw/zinc/08/71/30/528087130.db2.gz JAKIFFAWQNFKNE-UHFFFAOYSA-N 0 3 237.362 3.690 20 0 BHADHN C(=C\c1ccccc1)\CN1CCCC2(CC2)C1 ZINC000473070097 527470435 /nfs/dbraw/zinc/47/04/35/527470435.db2.gz FFPORNAPMMLUFK-YWEYNIOJSA-N 0 3 227.351 3.576 20 0 BHADHN Fc1ccc(/C=C/CN2CCCC3(CC3)C2)cc1 ZINC000473079584 534460394 /nfs/dbraw/zinc/46/03/94/534460394.db2.gz UJRIMANMRNUVJY-HNQUOIGGSA-N 0 3 245.341 3.715 20 0 BHADHN Fc1ccc(/C=C\CN2CCCC3(CC3)C2)cc1 ZINC000473079591 225102990 /nfs/dbraw/zinc/10/29/90/225102990.db2.gz UJRIMANMRNUVJY-IWQZZHSRSA-N 0 3 245.341 3.715 20 0 BHADHN CCN(Cc1cc2c(ccc(C)c2C)[nH]1)C1CC1 ZINC000473133002 528768138 /nfs/dbraw/zinc/76/81/38/528768138.db2.gz ONPMLYYJGVAHMF-UHFFFAOYSA-N 0 3 242.366 3.769 20 0 BHADHN Cc1ccc2[nH]c(CN3CCC[C@H]3C)cc2c1C ZINC000473136867 534352904 /nfs/dbraw/zinc/35/29/04/534352904.db2.gz BEMIICQNNOYPTA-GFCCVEGCSA-N 0 3 242.366 3.769 20 0 BHADHN Cc1ccc2[nH]c(CN3CCC[C@@H]3C)cc2c1C ZINC000473136868 534353348 /nfs/dbraw/zinc/35/33/48/534353348.db2.gz BEMIICQNNOYPTA-LBPRGKRZSA-N 0 3 242.366 3.769 20 0 BHADHN CCSc1cccc(CN2CC=C(C)CC2)c1 ZINC000473139468 529250412 /nfs/dbraw/zinc/25/04/12/529250412.db2.gz BFKZYQVVFXARKG-UHFFFAOYSA-N 0 3 247.407 3.951 20 0 BHADHN Cc1ccc2[nH]c(CN3CC[C@@H](C)C3)cc2c1C ZINC000473140345 534355710 /nfs/dbraw/zinc/35/57/10/534355710.db2.gz MKKGUXIAKQWPRK-LLVKDONJSA-N 0 3 242.366 3.627 20 0 BHADHN Cc1ccc2[nH]c(CN3CC[C@H](C)C3)cc2c1C ZINC000473140347 534355868 /nfs/dbraw/zinc/35/58/68/534355868.db2.gz MKKGUXIAKQWPRK-NSHDSACASA-N 0 3 242.366 3.627 20 0 BHADHN Cc1ccc2[nH]c(CN(C)C3CCC3)cc2c1C ZINC000473141282 534353755 /nfs/dbraw/zinc/35/37/55/534353755.db2.gz NOEWNNNNUSNYHB-UHFFFAOYSA-N 0 3 242.366 3.769 20 0 BHADHN COc1c2ccccc2oc1CNCC(C)(C)C ZINC000473999454 533451351 /nfs/dbraw/zinc/45/13/51/533451351.db2.gz FGXCPIMJTWZFCA-UHFFFAOYSA-N 0 3 247.338 3.577 20 0 BHADHN CC[C@@H](C)CNCc1oc2ccccc2c1OC ZINC000474000984 529327394 /nfs/dbraw/zinc/32/73/94/529327394.db2.gz OPLDUUXKFFKSKK-LLVKDONJSA-N 0 3 247.338 3.577 20 0 BHADHN CC[C@H](C)CNCc1oc2ccccc2c1OC ZINC000474000985 529667872 /nfs/dbraw/zinc/66/78/72/529667872.db2.gz OPLDUUXKFFKSKK-NSHDSACASA-N 0 3 247.338 3.577 20 0 BHADHN CCC(CC)NCc1oc2ccccc2c1OC ZINC000474055338 528803447 /nfs/dbraw/zinc/80/34/47/528803447.db2.gz OWELMEYOKMTEPL-UHFFFAOYSA-N 0 3 247.338 3.720 20 0 BHADHN CCC[C@@H](C)NCc1oc2ccccc2c1OC ZINC000474068063 528899669 /nfs/dbraw/zinc/89/96/69/528899669.db2.gz SLGPYNABWVQBMQ-LLVKDONJSA-N 0 3 247.338 3.720 20 0 BHADHN CCC[C@H](C)NCc1oc2ccccc2c1OC ZINC000474068064 528066920 /nfs/dbraw/zinc/06/69/20/528066920.db2.gz SLGPYNABWVQBMQ-NSHDSACASA-N 0 3 247.338 3.720 20 0 BHADHN CCc1cccc(F)c1CN(CC)C(C)C ZINC000474106229 529174073 /nfs/dbraw/zinc/17/40/73/529174073.db2.gz MZLGLAZISWTZCI-UHFFFAOYSA-N 0 3 223.335 3.618 20 0 BHADHN CCc1cccc(F)c1CN(C)[C@H](C)C1CC1 ZINC000474150689 529172148 /nfs/dbraw/zinc/17/21/48/529172148.db2.gz BHOHMTQGQIWDNZ-LLVKDONJSA-N 0 3 235.346 3.618 20 0 BHADHN CCc1cccc(F)c1CN(C)[C@@H](C)C1CC1 ZINC000474150690 529172409 /nfs/dbraw/zinc/17/24/09/529172409.db2.gz BHOHMTQGQIWDNZ-NSHDSACASA-N 0 3 235.346 3.618 20 0 BHADHN CCc1cccc(F)c1CN(C)[C@H](C)CC ZINC000474152241 529172400 /nfs/dbraw/zinc/17/24/00/529172400.db2.gz UATHCUZXPHJHEQ-LLVKDONJSA-N 0 3 223.335 3.618 20 0 BHADHN CCc1cccc(F)c1CN(C)[C@@H](C)CC ZINC000474152242 529172428 /nfs/dbraw/zinc/17/24/28/529172428.db2.gz UATHCUZXPHJHEQ-NSHDSACASA-N 0 3 223.335 3.618 20 0 BHADHN Cc1ccncc1CN(C)CCC1CCCCC1 ZINC000474262453 225115181 /nfs/dbraw/zinc/11/51/81/225115181.db2.gz CWVNXNFIGZAYFD-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CCc1cccc(F)c1CN1CCC12CCC2 ZINC000474270375 529173251 /nfs/dbraw/zinc/17/32/51/529173251.db2.gz COIYEIKYLTXYMH-UHFFFAOYSA-N 0 3 233.330 3.517 20 0 BHADHN CCc1cccc(F)c1CNCC1(C2CC2)CC1 ZINC000474878799 529173596 /nfs/dbraw/zinc/17/35/96/529173596.db2.gz QYNUZELQPRPRIN-UHFFFAOYSA-N 0 3 247.357 3.668 20 0 BHADHN CC(C)[C@H]1CCC[C@H](N[C@@H](C)c2ccon2)C1 ZINC000474928606 324151571 /nfs/dbraw/zinc/15/15/71/324151571.db2.gz PBZIOXDZAFTVNY-AVGNSLFASA-N 0 3 236.359 3.540 20 0 BHADHN CC(C)[C@H]1CCC[C@@H](N[C@@H](C)c2ccon2)C1 ZINC000474928608 324151428 /nfs/dbraw/zinc/15/14/28/324151428.db2.gz PBZIOXDZAFTVNY-RWMBFGLXSA-N 0 3 236.359 3.540 20 0 BHADHN CC(C)[C@@H]1CCC[C@H](N[C@@H](C)c2ccon2)C1 ZINC000474928611 324151538 /nfs/dbraw/zinc/15/15/38/324151538.db2.gz PBZIOXDZAFTVNY-XQQFMLRXSA-N 0 3 236.359 3.540 20 0 BHADHN CC(C)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccon2)C1 ZINC000474928613 324151402 /nfs/dbraw/zinc/15/14/02/324151402.db2.gz PBZIOXDZAFTVNY-YNEHKIRRSA-N 0 3 236.359 3.540 20 0 BHADHN CN(Cc1ccc(Cl)o1)[C@H]1CCC(C)(C)C1 ZINC000475546862 529985616 /nfs/dbraw/zinc/98/56/16/529985616.db2.gz GFCQWAQGYXKNTL-JTQLQIEISA-N 0 3 241.762 3.944 20 0 BHADHN CN(Cc1ccc(Cl)o1)[C@@H]1CCC(C)(C)C1 ZINC000475546871 529985890 /nfs/dbraw/zinc/98/58/90/529985890.db2.gz GFCQWAQGYXKNTL-SNVBAGLBSA-N 0 3 241.762 3.944 20 0 BHADHN Cc1ccncc1CN(C)CC1CCCCCC1 ZINC000475576475 225139235 /nfs/dbraw/zinc/13/92/35/225139235.db2.gz XAWQTTUJWRZYJX-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cccc([O-])c2)C1 ZINC000475630026 526720807 /nfs/dbraw/zinc/72/08/07/526720807.db2.gz XDQBAQJMFOMOTB-AWEZNQCLSA-N 0 3 247.382 3.650 20 0 BHADHN CC(C)(C)[C@H]1CCC[N@H+](Cc2cccc([O-])c2)C1 ZINC000475630026 526720804 /nfs/dbraw/zinc/72/08/04/526720804.db2.gz XDQBAQJMFOMOTB-AWEZNQCLSA-N 0 3 247.382 3.650 20 0 BHADHN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cccc([O-])c2)C1 ZINC000475630027 526652701 /nfs/dbraw/zinc/65/27/01/526652701.db2.gz XDQBAQJMFOMOTB-CQSZACIVSA-N 0 3 247.382 3.650 20 0 BHADHN CC(C)(C)[C@@H]1CCC[N@H+](Cc2cccc([O-])c2)C1 ZINC000475630027 526652696 /nfs/dbraw/zinc/65/26/96/526652696.db2.gz XDQBAQJMFOMOTB-CQSZACIVSA-N 0 3 247.382 3.650 20 0 BHADHN C[C@@H]1CCCCN(c2ccnc3ccccc32)C1 ZINC000475740219 534154761 /nfs/dbraw/zinc/15/47/61/534154761.db2.gz BGGTUHQUPUEZLI-CYBMUJFWSA-N 0 3 240.350 3.861 20 0 BHADHN C[C@H]1CCCCN(c2ccnc3ccccc32)C1 ZINC000475740220 225141493 /nfs/dbraw/zinc/14/14/93/225141493.db2.gz BGGTUHQUPUEZLI-ZDUSSCGKSA-N 0 3 240.350 3.861 20 0 BHADHN CCCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000477052380 528262247 /nfs/dbraw/zinc/26/22/47/528262247.db2.gz VEQHOQVUUBVBDE-UHFFFAOYSA-N 0 3 241.334 3.715 20 0 BHADHN CCCN(CCC)Cc1ccn(C2CCCC2)n1 ZINC000477166781 528059868 /nfs/dbraw/zinc/05/98/68/528059868.db2.gz QLEVNZJIBUZABJ-UHFFFAOYSA-N 0 3 249.402 3.620 20 0 BHADHN CC1(C)CCCN1Cc1ccc(F)cc1Cl ZINC000477417816 528944064 /nfs/dbraw/zinc/94/40/64/528944064.db2.gz ZRXUOWBGXGKQIJ-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CC1(C)CCCN1Cc1ccc(Cl)cc1 ZINC000477437594 528944723 /nfs/dbraw/zinc/94/47/23/528944723.db2.gz MDEOIRUGYCYTGL-UHFFFAOYSA-N 0 3 223.747 3.714 20 0 BHADHN CC1(C)CCCN1Cc1cccc(Cl)c1 ZINC000477439502 528944572 /nfs/dbraw/zinc/94/45/72/528944572.db2.gz OIPDORGPXYIKCU-UHFFFAOYSA-N 0 3 223.747 3.714 20 0 BHADHN CC1(C)CCCN1Cc1ccccc1Cl ZINC000477440065 528943647 /nfs/dbraw/zinc/94/36/47/528943647.db2.gz QMMYPXLKOOEWPN-UHFFFAOYSA-N 0 3 223.747 3.714 20 0 BHADHN CC1(C)CCCN1Cc1ccc(Cl)s1 ZINC000477560912 528943968 /nfs/dbraw/zinc/94/39/68/528943968.db2.gz GCJRLUPMMRHOBS-UHFFFAOYSA-N 0 3 229.776 3.776 20 0 BHADHN C1=C[C@H](N2CCOC3(C2)CCCCCC3)CCC1 ZINC000477864396 526420263 /nfs/dbraw/zinc/42/02/63/526420263.db2.gz QEHFOJWKJLHSEW-HNNXBMFYSA-N 0 3 249.398 3.520 20 0 BHADHN C1=C[C@@H](N2CCOC3(C2)CCCCCC3)CCC1 ZINC000477864399 526419406 /nfs/dbraw/zinc/41/94/06/526419406.db2.gz QEHFOJWKJLHSEW-OAHLLOKOSA-N 0 3 249.398 3.520 20 0 BHADHN C[C@H](CN[C@@H](C)c1ccccc1F)C(F)(F)F ZINC000478412250 225167944 /nfs/dbraw/zinc/16/79/44/225167944.db2.gz OUAYRLYGYUBVSK-BDAKNGLRSA-N 0 3 249.251 3.675 20 0 BHADHN C[C@@H](NC[C@H](C)C(F)(F)F)c1ccccc1F ZINC000478412251 533427138 /nfs/dbraw/zinc/42/71/38/533427138.db2.gz OUAYRLYGYUBVSK-DTWKUNHWSA-N 0 3 249.251 3.675 20 0 BHADHN C[C@@H](CN[C@@H](C)c1ccccc1F)C(F)(F)F ZINC000478412252 225167521 /nfs/dbraw/zinc/16/75/21/225167521.db2.gz OUAYRLYGYUBVSK-IUCAKERBSA-N 0 3 249.251 3.675 20 0 BHADHN C[C@H](CN[C@H](C)c1ccccc1F)C(F)(F)F ZINC000478412253 534126671 /nfs/dbraw/zinc/12/66/71/534126671.db2.gz OUAYRLYGYUBVSK-RKDXNWHRSA-N 0 3 249.251 3.675 20 0 BHADHN Cc1cccc([C@@H](C)NC[C@@H](C)C(F)(F)F)c1 ZINC000478427334 225168187 /nfs/dbraw/zinc/16/81/87/225168187.db2.gz LRXMFYJJDIHEPS-GHMZBOCLSA-N 0 3 245.288 3.844 20 0 BHADHN Cc1cccc([C@H](C)NC[C@@H](C)C(F)(F)F)c1 ZINC000478427335 225168023 /nfs/dbraw/zinc/16/80/23/225168023.db2.gz LRXMFYJJDIHEPS-MNOVXSKESA-N 0 3 245.288 3.844 20 0 BHADHN Cc1cccc([C@H](C)NC[C@H](C)C(F)(F)F)c1 ZINC000478427336 225168203 /nfs/dbraw/zinc/16/82/03/225168203.db2.gz LRXMFYJJDIHEPS-QWRGUYRKSA-N 0 3 245.288 3.844 20 0 BHADHN Cc1cccc([C@@H](C)NC[C@H](C)C(F)(F)F)c1 ZINC000478427340 225168037 /nfs/dbraw/zinc/16/80/37/225168037.db2.gz LRXMFYJJDIHEPS-WDEREUQCSA-N 0 3 245.288 3.844 20 0 BHADHN C[C@H](CN[C@@H](C)c1cccc(F)c1)C(F)(F)F ZINC000478435234 225167687 /nfs/dbraw/zinc/16/76/87/225167687.db2.gz LVNJXKSJPQDZKX-BDAKNGLRSA-N 0 3 249.251 3.675 20 0 BHADHN C[C@@H](NC[C@H](C)C(F)(F)F)c1cccc(F)c1 ZINC000478435235 533425737 /nfs/dbraw/zinc/42/57/37/533425737.db2.gz LVNJXKSJPQDZKX-DTWKUNHWSA-N 0 3 249.251 3.675 20 0 BHADHN C[C@@H](CN[C@@H](C)c1cccc(F)c1)C(F)(F)F ZINC000478435236 225168264 /nfs/dbraw/zinc/16/82/64/225168264.db2.gz LVNJXKSJPQDZKX-IUCAKERBSA-N 0 3 249.251 3.675 20 0 BHADHN C[C@H](CN[C@H](C)c1cccc(F)c1)C(F)(F)F ZINC000478435237 534126258 /nfs/dbraw/zinc/12/62/58/534126258.db2.gz LVNJXKSJPQDZKX-RKDXNWHRSA-N 0 3 249.251 3.675 20 0 BHADHN C[C@H](CSc1ccc(F)c(Cl)c1)N(C)C ZINC000479196033 225178674 /nfs/dbraw/zinc/17/86/74/225178674.db2.gz QXUXCXNVTYEVJD-MRVPVSSYSA-N 0 3 247.766 3.521 20 0 BHADHN C[C@@H](CSc1ccc(F)c(Cl)c1)N(C)C ZINC000479196036 534195124 /nfs/dbraw/zinc/19/51/24/534195124.db2.gz QXUXCXNVTYEVJD-QMMMGPOBSA-N 0 3 247.766 3.521 20 0 BHADHN CCc1cccnc1[C@@H](C)NCCC=C(C)C ZINC000479268269 529622105 /nfs/dbraw/zinc/62/21/05/529622105.db2.gz CXLHAWAMFAXZLY-CYBMUJFWSA-N 0 3 232.371 3.651 20 0 BHADHN CCc1cccnc1[C@H](C)NCCC=C(C)C ZINC000479268270 529622999 /nfs/dbraw/zinc/62/29/99/529622999.db2.gz CXLHAWAMFAXZLY-ZDUSSCGKSA-N 0 3 232.371 3.651 20 0 BHADHN CC(C)=CCN[C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000479269531 527445511 /nfs/dbraw/zinc/44/55/11/527445511.db2.gz LGPWVAWACYWEJQ-ABAIWWIYSA-N 0 3 233.330 3.615 20 0 BHADHN CC(C)=CCN[C@H]1c2cc(F)ccc2C[C@H]1C ZINC000479269534 527446360 /nfs/dbraw/zinc/44/63/60/527446360.db2.gz LGPWVAWACYWEJQ-IAQYHMDHSA-N 0 3 233.330 3.615 20 0 BHADHN CC(C)=CCN[C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000479269536 527444865 /nfs/dbraw/zinc/44/48/65/527444865.db2.gz LGPWVAWACYWEJQ-NHYWBVRUSA-N 0 3 233.330 3.615 20 0 BHADHN CC(C)=CCN[C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000479269538 527446490 /nfs/dbraw/zinc/44/64/90/527446490.db2.gz LGPWVAWACYWEJQ-XHDPSFHLSA-N 0 3 233.330 3.615 20 0 BHADHN CCC[C@H](NCCC=C(C)C)c1ccccn1 ZINC000479276535 528217387 /nfs/dbraw/zinc/21/73/87/528217387.db2.gz XGOHSOMENUHESP-AWEZNQCLSA-N 0 3 232.371 3.869 20 0 BHADHN CCC[C@@H](NCCC=C(C)C)c1ccccn1 ZINC000479276536 529007301 /nfs/dbraw/zinc/00/73/01/529007301.db2.gz XGOHSOMENUHESP-CQSZACIVSA-N 0 3 232.371 3.869 20 0 BHADHN CC(C)=CCN[C@H](c1ccc(C)o1)C1CCC1 ZINC000479285110 527445077 /nfs/dbraw/zinc/44/50/77/527445077.db2.gz JTNDJGGPXIRYTA-HNNXBMFYSA-N 0 3 233.355 3.985 20 0 BHADHN CC(C)=CCN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000479285112 527445192 /nfs/dbraw/zinc/44/51/92/527445192.db2.gz JTNDJGGPXIRYTA-OAHLLOKOSA-N 0 3 233.355 3.985 20 0 BHADHN CC(C)[C@H](NC1CCC1)c1cc(F)ccc1F ZINC000479398080 529117074 /nfs/dbraw/zinc/11/70/74/529117074.db2.gz SUEMHFOPEZXTCY-AWEZNQCLSA-N 0 3 239.309 3.804 20 0 BHADHN CC(C)[C@@H](NC1CCC1)c1cc(F)ccc1F ZINC000479398082 528580710 /nfs/dbraw/zinc/58/07/10/528580710.db2.gz SUEMHFOPEZXTCY-CQSZACIVSA-N 0 3 239.309 3.804 20 0 BHADHN CCCc1cccc(CNCCC(F)(F)F)c1 ZINC000479419276 528636013 /nfs/dbraw/zinc/63/60/13/528636013.db2.gz IAYFEAPJXLAXCY-UHFFFAOYSA-N 0 3 245.288 3.681 20 0 BHADHN CC(C)(CNCc1ccco1)C1=CCCCC1 ZINC000479423176 527171536 /nfs/dbraw/zinc/17/15/36/527171536.db2.gz MEPHPCDRHWPIGY-UHFFFAOYSA-N 0 3 233.355 3.896 20 0 BHADHN CC(C)(CNCc1ccccn1)C1=CCCCC1 ZINC000479426999 527172144 /nfs/dbraw/zinc/17/21/44/527172144.db2.gz WNPRROMJTCYSDG-UHFFFAOYSA-N 0 3 244.382 3.698 20 0 BHADHN Cc1cc2[nH]c(CNC(C)(C)CF)cc2c(C)c1 ZINC000479436366 225183362 /nfs/dbraw/zinc/18/33/62/225183362.db2.gz IYSVDFSYMKDSQY-UHFFFAOYSA-N 0 3 248.345 3.622 20 0 BHADHN C[C@@H](NCCCc1ccccc1F)c1ccco1 ZINC000479510621 533390275 /nfs/dbraw/zinc/39/02/75/533390275.db2.gz MUCAVHRKDWQVGW-GFCCVEGCSA-N 0 3 247.313 3.702 20 0 BHADHN C[C@H](NCCCc1ccccc1F)c1ccco1 ZINC000479510623 225185437 /nfs/dbraw/zinc/18/54/37/225185437.db2.gz MUCAVHRKDWQVGW-LBPRGKRZSA-N 0 3 247.313 3.702 20 0 BHADHN CCCc1cccc(CNCc2ccccc2)c1 ZINC000479543476 528635691 /nfs/dbraw/zinc/63/56/91/528635691.db2.gz ZZVVLJFNUWAKTL-UHFFFAOYSA-N 0 3 239.362 3.929 20 0 BHADHN Cc1cccc(C)c1CNC[C@@H](C)C(F)(F)F ZINC000479589109 534666965 /nfs/dbraw/zinc/66/69/65/534666965.db2.gz YODIEJCMZGXEQJ-LLVKDONJSA-N 0 3 245.288 3.591 20 0 BHADHN Cc1cccc(C)c1CNC[C@H](C)C(F)(F)F ZINC000479589111 534665985 /nfs/dbraw/zinc/66/59/85/534665985.db2.gz YODIEJCMZGXEQJ-NSHDSACASA-N 0 3 245.288 3.591 20 0 BHADHN Cc1cc(C)cc(CNC[C@@H](C)C(F)(F)F)c1 ZINC000479593343 225189684 /nfs/dbraw/zinc/18/96/84/225189684.db2.gz OLHAZMDWUACNNW-LLVKDONJSA-N 0 3 245.288 3.591 20 0 BHADHN Cc1cc(C)cc(CNC[C@H](C)C(F)(F)F)c1 ZINC000479593345 225189540 /nfs/dbraw/zinc/18/95/40/225189540.db2.gz OLHAZMDWUACNNW-NSHDSACASA-N 0 3 245.288 3.591 20 0 BHADHN Cc1cccc(CNC[C@H](C)C(F)(F)F)c1C ZINC000479605314 225189665 /nfs/dbraw/zinc/18/96/65/225189665.db2.gz NFTJEWKKHQOWNX-JTQLQIEISA-N 0 3 245.288 3.591 20 0 BHADHN Cc1cccc(CNC[C@@H](C)C(F)(F)F)c1C ZINC000479605315 225189915 /nfs/dbraw/zinc/18/99/15/225189915.db2.gz NFTJEWKKHQOWNX-SNVBAGLBSA-N 0 3 245.288 3.591 20 0 BHADHN Cc1ccc(CNC[C@@H](C)C(F)(F)F)c(C)c1 ZINC000479607216 534062381 /nfs/dbraw/zinc/06/23/81/534062381.db2.gz UGBNUONVGUWPAJ-LLVKDONJSA-N 0 3 245.288 3.591 20 0 BHADHN Cc1ccc(CNC[C@H](C)C(F)(F)F)c(C)c1 ZINC000479607217 534066716 /nfs/dbraw/zinc/06/67/16/534066716.db2.gz UGBNUONVGUWPAJ-NSHDSACASA-N 0 3 245.288 3.591 20 0 BHADHN Cc1ccc(CNC[C@@H](C)C(F)(F)F)cc1C ZINC000479611432 534060828 /nfs/dbraw/zinc/06/08/28/534060828.db2.gz HICZCROILBDEQO-LLVKDONJSA-N 0 3 245.288 3.591 20 0 BHADHN Cc1ccc(CNC[C@H](C)C(F)(F)F)cc1C ZINC000479611434 534066282 /nfs/dbraw/zinc/06/62/82/534066282.db2.gz HICZCROILBDEQO-NSHDSACASA-N 0 3 245.288 3.591 20 0 BHADHN CCc1ccc(CNC[C@H](C)C(F)(F)F)cc1 ZINC000479612488 529652662 /nfs/dbraw/zinc/65/26/62/529652662.db2.gz MMFGWJMUDFBYCP-JTQLQIEISA-N 0 3 245.288 3.537 20 0 BHADHN CCc1ccc(CNC[C@@H](C)C(F)(F)F)cc1 ZINC000479612489 529652907 /nfs/dbraw/zinc/65/29/07/529652907.db2.gz MMFGWJMUDFBYCP-SNVBAGLBSA-N 0 3 245.288 3.537 20 0 BHADHN Cc1ccc(C)c(CNC[C@@H](C)C(F)(F)F)c1 ZINC000479617745 225189877 /nfs/dbraw/zinc/18/98/77/225189877.db2.gz VSGHBWZFXFRYTD-LLVKDONJSA-N 0 3 245.288 3.591 20 0 BHADHN Cc1ccc(C)c(CNC[C@H](C)C(F)(F)F)c1 ZINC000479617748 225189120 /nfs/dbraw/zinc/18/91/20/225189120.db2.gz VSGHBWZFXFRYTD-NSHDSACASA-N 0 3 245.288 3.591 20 0 BHADHN CC(C)=CCNCc1cc2c(ccc(C)c2C)[nH]1 ZINC000480280131 527442221 /nfs/dbraw/zinc/44/22/21/527442221.db2.gz DOTFZKKPHXBCBF-UHFFFAOYSA-N 0 3 242.366 3.841 20 0 BHADHN CC(C)=CCNC/C=C\c1ccc(F)cc1F ZINC000480281467 527442921 /nfs/dbraw/zinc/44/29/21/527442921.db2.gz JETVAFYSAXDELU-ARJAWSKDSA-N 0 3 237.293 3.534 20 0 BHADHN CC(C)=CCNC/C=C/c1ccc(F)cc1F ZINC000480281490 527442269 /nfs/dbraw/zinc/44/22/69/527442269.db2.gz JETVAFYSAXDELU-ONEGZZNKSA-N 0 3 237.293 3.534 20 0 BHADHN CC(C)=CCNCc1cc2c(cc(C)cc2C)[nH]1 ZINC000480289008 527443241 /nfs/dbraw/zinc/44/32/41/527443241.db2.gz ZTRSZMIOQAXZPB-UHFFFAOYSA-N 0 3 242.366 3.841 20 0 BHADHN CC(C)=CCNCc1cc(C)c2ncccc2c1 ZINC000480293592 527443618 /nfs/dbraw/zinc/44/36/18/527443618.db2.gz QJQIRFJLDGBTQX-UHFFFAOYSA-N 0 3 240.350 3.599 20 0 BHADHN CC(C)=CCNCc1ccc(OCC2CC2)cc1 ZINC000480309020 527443175 /nfs/dbraw/zinc/44/31/75/527443175.db2.gz QOSVTAILXXSFCZ-UHFFFAOYSA-N 0 3 245.366 3.531 20 0 BHADHN CC(C)=CCNCc1ccccc1OCC1CC1 ZINC000480310412 527442397 /nfs/dbraw/zinc/44/23/97/527442397.db2.gz RMSORFQESVXHHZ-UHFFFAOYSA-N 0 3 245.366 3.531 20 0 BHADHN CC(C)=CCNCc1cccn1CCC(C)C ZINC000480312503 527442477 /nfs/dbraw/zinc/44/24/77/527442477.db2.gz YOPBIPNYQKGXPF-UHFFFAOYSA-N 0 3 234.387 3.590 20 0 BHADHN CCN(CC)[C@H](C)c1cccc(Cl)c1F ZINC000480503108 528269679 /nfs/dbraw/zinc/26/96/79/528269679.db2.gz XJLFLBWSENFRQZ-SECBINFHSA-N 0 3 229.726 3.882 20 0 BHADHN CCN(CC)[C@@H](C)c1cccc(Cl)c1F ZINC000480503145 528234865 /nfs/dbraw/zinc/23/48/65/528234865.db2.gz XJLFLBWSENFRQZ-VIFPVBQESA-N 0 3 229.726 3.882 20 0 BHADHN C[C@@H](c1cc(F)ccc1F)N(C)CCC1CC1 ZINC000480524721 534044068 /nfs/dbraw/zinc/04/40/68/534044068.db2.gz ICSJHCZNZKDCDW-JTQLQIEISA-N 0 3 239.309 3.758 20 0 BHADHN C[C@H](c1cc(F)ccc1F)N(C)CCC1CC1 ZINC000480524722 225202944 /nfs/dbraw/zinc/20/29/44/225202944.db2.gz ICSJHCZNZKDCDW-SNVBAGLBSA-N 0 3 239.309 3.758 20 0 BHADHN C[C@H](c1cccc(Cl)c1F)N(C)CC1CC1 ZINC000480533492 534127346 /nfs/dbraw/zinc/12/73/46/534127346.db2.gz YJQQNQZWHQDFKD-SECBINFHSA-N 0 3 241.737 3.882 20 0 BHADHN C[C@@H](c1cccc(Cl)c1F)N(C)CC1CC1 ZINC000480533494 534087435 /nfs/dbraw/zinc/08/74/35/534087435.db2.gz YJQQNQZWHQDFKD-VIFPVBQESA-N 0 3 241.737 3.882 20 0 BHADHN Cc1ccc(CN2CCC(C(C)C)CC2)c(C)n1 ZINC000480539730 533916595 /nfs/dbraw/zinc/91/65/95/533916595.db2.gz LAMFONDMPVPSCI-UHFFFAOYSA-N 0 3 246.398 3.566 20 0 BHADHN CCCN(C)[C@H](C)c1cccc(Cl)c1F ZINC000480556689 527863379 /nfs/dbraw/zinc/86/33/79/527863379.db2.gz QNKQIPPGOWVHKH-SECBINFHSA-N 0 3 229.726 3.882 20 0 BHADHN CCCN(C)[C@@H](C)c1cccc(Cl)c1F ZINC000480556690 527862979 /nfs/dbraw/zinc/86/29/79/527862979.db2.gz QNKQIPPGOWVHKH-VIFPVBQESA-N 0 3 229.726 3.882 20 0 BHADHN CCc1ccc([C@H](C)NC[C@@H](C)C(F)(F)F)o1 ZINC000480670590 529721284 /nfs/dbraw/zinc/72/12/84/529721284.db2.gz WYARDYZJFFMIDK-BDAKNGLRSA-N 0 3 249.276 3.691 20 0 BHADHN CCc1ccc([C@@H](C)NC[C@H](C)C(F)(F)F)o1 ZINC000480670591 529706612 /nfs/dbraw/zinc/70/66/12/529706612.db2.gz WYARDYZJFFMIDK-DTWKUNHWSA-N 0 3 249.276 3.691 20 0 BHADHN CCc1ccc([C@H](C)NC[C@H](C)C(F)(F)F)o1 ZINC000480670592 529721396 /nfs/dbraw/zinc/72/13/96/529721396.db2.gz WYARDYZJFFMIDK-IUCAKERBSA-N 0 3 249.276 3.691 20 0 BHADHN CCc1ccc([C@@H](C)NC[C@@H](C)C(F)(F)F)o1 ZINC000480670593 529706460 /nfs/dbraw/zinc/70/64/60/529706460.db2.gz WYARDYZJFFMIDK-RKDXNWHRSA-N 0 3 249.276 3.691 20 0 BHADHN Cc1cccc(CCCN(C)Cc2ccco2)c1 ZINC000480748123 225208000 /nfs/dbraw/zinc/20/80/00/225208000.db2.gz KRHLTCYNVAWBML-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN CC(C)N(CCC1CC1)Cc1ccccc1F ZINC000480772548 528879581 /nfs/dbraw/zinc/87/95/81/528879581.db2.gz GICUAGZCLRKLEW-UHFFFAOYSA-N 0 3 235.346 3.836 20 0 BHADHN CN(CCC1CC1)Cc1ccc(Cl)cc1F ZINC000480784917 529876628 /nfs/dbraw/zinc/87/66/28/529876628.db2.gz IWYICBZSSMTXCO-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN C[C@@H](c1ccc(F)cc1F)N(C)CCC1CC1 ZINC000480792321 534065083 /nfs/dbraw/zinc/06/50/83/534065083.db2.gz CYHDTGBZHWGHFO-JTQLQIEISA-N 0 3 239.309 3.758 20 0 BHADHN C[C@H](c1ccc(F)cc1F)N(C)CCC1CC1 ZINC000480792322 225207054 /nfs/dbraw/zinc/20/70/54/225207054.db2.gz CYHDTGBZHWGHFO-SNVBAGLBSA-N 0 3 239.309 3.758 20 0 BHADHN CC1=C(C)CN(c2ccnc3ccccc32)CC1 ZINC000481084265 528091636 /nfs/dbraw/zinc/09/16/36/528091636.db2.gz CIAURDCQIVBMNL-UHFFFAOYSA-N 0 3 238.334 3.781 20 0 BHADHN CC[C@@H](C)CN1CCc2[nH]c3ccccc3c2C1 ZINC000481090310 529320153 /nfs/dbraw/zinc/32/01/53/529320153.db2.gz ISMYIVFMZNAWOR-GFCCVEGCSA-N 0 3 242.366 3.572 20 0 BHADHN CC[C@H](C)CN1CCc2[nH]c3ccccc3c2C1 ZINC000481090313 529659096 /nfs/dbraw/zinc/65/90/96/529659096.db2.gz ISMYIVFMZNAWOR-LBPRGKRZSA-N 0 3 242.366 3.572 20 0 BHADHN CC[C@H]1[C@@H](C)CCN1Cc1cc(F)ccc1F ZINC000481345995 529337044 /nfs/dbraw/zinc/33/70/44/529337044.db2.gz SRJCIGUMAXNGIM-HZMBPMFUSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1[C@@H](C)CCN1Cc1cc(F)ccc1F ZINC000481345996 529478168 /nfs/dbraw/zinc/47/81/68/529478168.db2.gz SRJCIGUMAXNGIM-IINYFYTJSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1[C@H](C)CCN1Cc1cc(F)ccc1F ZINC000481345997 529483599 /nfs/dbraw/zinc/48/35/99/529483599.db2.gz SRJCIGUMAXNGIM-QMTHXVAHSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1[C@H](C)CCN1Cc1cc(F)ccc1F ZINC000481345998 529341867 /nfs/dbraw/zinc/34/18/67/529341867.db2.gz SRJCIGUMAXNGIM-YGRLFVJLSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(F)c(F)c1 ZINC000481347968 529337425 /nfs/dbraw/zinc/33/74/25/529337425.db2.gz WHZZTACHTCBRBN-HZMBPMFUSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(F)c(F)c1 ZINC000481347969 529478065 /nfs/dbraw/zinc/47/80/65/529478065.db2.gz WHZZTACHTCBRBN-IINYFYTJSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(F)c(F)c1 ZINC000481347972 529483614 /nfs/dbraw/zinc/48/36/14/529483614.db2.gz WHZZTACHTCBRBN-QMTHXVAHSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1[C@H](C)CCN1Cc1ccc(F)c(F)c1 ZINC000481347974 529341467 /nfs/dbraw/zinc/34/14/67/529341467.db2.gz WHZZTACHTCBRBN-YGRLFVJLSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1[C@@H](C)CCN1Cc1cccc(F)c1F ZINC000481376119 529337156 /nfs/dbraw/zinc/33/71/56/529337156.db2.gz USULJOKKRBPFGA-GWCFXTLKSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1[C@@H](C)CCN1Cc1cccc(F)c1F ZINC000481376121 529478069 /nfs/dbraw/zinc/47/80/69/529478069.db2.gz USULJOKKRBPFGA-GXFFZTMASA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1[C@H](C)CCN1Cc1cccc(F)c1F ZINC000481376124 529341796 /nfs/dbraw/zinc/34/17/96/529341796.db2.gz USULJOKKRBPFGA-MFKMUULPSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1[C@H](C)CCN1Cc1cccc(F)c1F ZINC000481376127 529483549 /nfs/dbraw/zinc/48/35/49/529483549.db2.gz USULJOKKRBPFGA-ZWNOBZJWSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1[C@@H](C)CCN1Cc1c(F)cccc1F ZINC000481394534 529337113 /nfs/dbraw/zinc/33/71/13/529337113.db2.gz WFYOZCMNRWMOAX-HZMBPMFUSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1[C@@H](C)CCN1Cc1c(F)cccc1F ZINC000481394535 529478090 /nfs/dbraw/zinc/47/80/90/529478090.db2.gz WFYOZCMNRWMOAX-IINYFYTJSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1[C@H](C)CCN1Cc1c(F)cccc1F ZINC000481394536 529483358 /nfs/dbraw/zinc/48/33/58/529483358.db2.gz WFYOZCMNRWMOAX-QMTHXVAHSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1[C@H](C)CCN1Cc1c(F)cccc1F ZINC000481394537 529341665 /nfs/dbraw/zinc/34/16/65/529341665.db2.gz WFYOZCMNRWMOAX-YGRLFVJLSA-N 0 3 239.309 3.585 20 0 BHADHN Cc1ccc(CCN[C@@H](C)c2ccco2)c(C)c1 ZINC000481420894 533805042 /nfs/dbraw/zinc/80/50/42/533805042.db2.gz ZAFJEZGUPMUMJG-AWEZNQCLSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1ccc(CCN[C@H](C)c2ccco2)c(C)c1 ZINC000481420897 533805899 /nfs/dbraw/zinc/80/58/99/533805899.db2.gz ZAFJEZGUPMUMJG-CQSZACIVSA-N 0 3 243.350 3.790 20 0 BHADHN C[C@@H]1CCCCN(Cc2ccc(F)c(F)c2)C1 ZINC000481573911 534155903 /nfs/dbraw/zinc/15/59/03/534155903.db2.gz UTEXKWYCINSUKW-LLVKDONJSA-N 0 3 239.309 3.587 20 0 BHADHN C[C@H]1CCCCN(Cc2ccc(F)c(F)c2)C1 ZINC000481573912 225217480 /nfs/dbraw/zinc/21/74/80/225217480.db2.gz UTEXKWYCINSUKW-NSHDSACASA-N 0 3 239.309 3.587 20 0 BHADHN C[C@@H]1CCCCN(Cc2cccc(F)c2F)C1 ZINC000481580297 534155937 /nfs/dbraw/zinc/15/59/37/534155937.db2.gz SPXIMYWGEWZCGR-LLVKDONJSA-N 0 3 239.309 3.587 20 0 BHADHN C[C@H]1CCCCN(Cc2cccc(F)c2F)C1 ZINC000481580298 225216924 /nfs/dbraw/zinc/21/69/24/225216924.db2.gz SPXIMYWGEWZCGR-NSHDSACASA-N 0 3 239.309 3.587 20 0 BHADHN c1ccc2c(c1)CN([C@H]1C=CCCC1)CC21CC1 ZINC000481720383 225219439 /nfs/dbraw/zinc/21/94/39/225219439.db2.gz FTBAFDAIUKGQOW-HNNXBMFYSA-N 0 3 239.362 3.643 20 0 BHADHN c1ccc2c(c1)CN([C@@H]1C=CCCC1)CC21CC1 ZINC000481720394 225218645 /nfs/dbraw/zinc/21/86/45/225218645.db2.gz FTBAFDAIUKGQOW-OAHLLOKOSA-N 0 3 239.362 3.643 20 0 BHADHN CC(C)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000481780510 528985447 /nfs/dbraw/zinc/98/54/47/528985447.db2.gz BJHDKZXSIGTHFC-UHFFFAOYSA-N 0 3 235.758 3.838 20 0 BHADHN CCCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000481793256 528180503 /nfs/dbraw/zinc/18/05/03/528180503.db2.gz GYNITZVBBBDFGA-UHFFFAOYSA-N 0 3 235.758 3.839 20 0 BHADHN CCN(Cc1cc2c(cc(C)cc2C)[nH]1)C1CC1 ZINC000481887495 528768656 /nfs/dbraw/zinc/76/86/56/528768656.db2.gz AMPRIKCQYFKDDT-UHFFFAOYSA-N 0 3 242.366 3.769 20 0 BHADHN CCCN(C)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000481909496 527854208 /nfs/dbraw/zinc/85/42/08/527854208.db2.gz ZKTZBRFXZZMTDF-UHFFFAOYSA-N 0 3 230.355 3.627 20 0 BHADHN CCCc1cccc(CN2CCC23CCC3)c1 ZINC000481986902 528632430 /nfs/dbraw/zinc/63/24/30/528632430.db2.gz UVUOIWQZIMHLAV-UHFFFAOYSA-N 0 3 229.367 3.768 20 0 BHADHN Cc1cc2[nH]c(CN(C)C3CCC3)cc2c(C)c1 ZINC000481997062 225219964 /nfs/dbraw/zinc/21/99/64/225219964.db2.gz GCKAWMOQYNDPNO-UHFFFAOYSA-N 0 3 242.366 3.769 20 0 BHADHN Cc1cc2[nH]c(CN3CC[C@@H](C)C3)cc2c(C)c1 ZINC000481997465 225221896 /nfs/dbraw/zinc/22/18/96/225221896.db2.gz FWFAKHVLSRUGLS-LLVKDONJSA-N 0 3 242.366 3.627 20 0 BHADHN Cc1cc2[nH]c(CN3CC[C@H](C)C3)cc2c(C)c1 ZINC000481997466 225221384 /nfs/dbraw/zinc/22/13/84/225221384.db2.gz FWFAKHVLSRUGLS-NSHDSACASA-N 0 3 242.366 3.627 20 0 BHADHN Cc1cc2[nH]c(CN3CCC[C@H]3C)cc2c(C)c1 ZINC000481999742 225222452 /nfs/dbraw/zinc/22/24/52/225222452.db2.gz QHQYWCRKSIQSQB-CYBMUJFWSA-N 0 3 242.366 3.769 20 0 BHADHN Cc1cc2[nH]c(CN3CCC[C@@H]3C)cc2c(C)c1 ZINC000481999744 225222111 /nfs/dbraw/zinc/22/21/11/225222111.db2.gz QHQYWCRKSIQSQB-ZDUSSCGKSA-N 0 3 242.366 3.769 20 0 BHADHN COc1ccc(C)cc1CN1CCC(C)=C(C)C1 ZINC000482446168 533386251 /nfs/dbraw/zinc/38/62/51/533386251.db2.gz CDRNUVBNJVGORE-UHFFFAOYSA-N 0 3 245.366 3.546 20 0 BHADHN CCOc1cccc(CN2CCC(C)=C(C)C2)c1 ZINC000482446175 225225834 /nfs/dbraw/zinc/22/58/34/225225834.db2.gz CEQSNWXBOWZROD-UHFFFAOYSA-N 0 3 245.366 3.627 20 0 BHADHN Cc1ccc2c(c1)CN(CC1CCCC1)C2 ZINC000482447386 534424596 /nfs/dbraw/zinc/42/45/96/534424596.db2.gz MDXMTVZREOSMMK-UHFFFAOYSA-N 0 3 215.340 3.501 20 0 BHADHN CCOc1ccccc1CN1CCC(C)=C(C)C1 ZINC000482453898 225226048 /nfs/dbraw/zinc/22/60/48/225226048.db2.gz LXJWBPOPXLVUOA-UHFFFAOYSA-N 0 3 245.366 3.627 20 0 BHADHN Cc1ccc(CN2CCC(C)=C(C)C2)s1 ZINC000482454436 533917193 /nfs/dbraw/zinc/91/71/93/533917193.db2.gz DLUHTWLMIOLCLL-UHFFFAOYSA-N 0 3 221.369 3.599 20 0 BHADHN CCOc1ccc(CN2CCC(C)=C(C)C2)cc1 ZINC000482454445 528432581 /nfs/dbraw/zinc/43/25/81/528432581.db2.gz DPIFQMLLLCSJSN-UHFFFAOYSA-N 0 3 245.366 3.627 20 0 BHADHN CC1=C(C)CN(C/C=C\c2ccc(F)cc2)CC1 ZINC000482455506 528090738 /nfs/dbraw/zinc/09/07/38/528090738.db2.gz GDQTWWAIZMUTOW-ARJAWSKDSA-N 0 3 245.341 3.881 20 0 BHADHN CC1=C(C)CN(C/C=C/c2ccc(F)cc2)CC1 ZINC000482455507 528091041 /nfs/dbraw/zinc/09/10/41/528091041.db2.gz GDQTWWAIZMUTOW-ONEGZZNKSA-N 0 3 245.341 3.881 20 0 BHADHN CCC[C@@H](C)CN1Cc2ccc(C)cc2C1 ZINC000482455559 528878043 /nfs/dbraw/zinc/87/80/43/528878043.db2.gz QCVPIZZRKYSKHB-CYBMUJFWSA-N 0 3 217.356 3.747 20 0 BHADHN CCC[C@H](C)CN1Cc2ccc(C)cc2C1 ZINC000482455561 528032971 /nfs/dbraw/zinc/03/29/71/528032971.db2.gz QCVPIZZRKYSKHB-ZDUSSCGKSA-N 0 3 217.356 3.747 20 0 BHADHN CC1=C(C)CN(Cc2cc3ccccc3o2)CC1 ZINC000482458330 528091240 /nfs/dbraw/zinc/09/12/40/528091240.db2.gz LZWNFBKCWDESNH-UHFFFAOYSA-N 0 3 241.334 3.975 20 0 BHADHN COc1cc(CN2CCC(C)=C(C)C2)ccc1C ZINC000482458689 533801405 /nfs/dbraw/zinc/80/14/05/533801405.db2.gz MHPUZDBFOLQTAO-UHFFFAOYSA-N 0 3 245.366 3.546 20 0 BHADHN Cc1ccc2c(c1)CN(CCCC(C)C)C2 ZINC000482459544 534424969 /nfs/dbraw/zinc/42/49/69/534424969.db2.gz ZRSJYVCWDNUJTO-UHFFFAOYSA-N 0 3 217.356 3.747 20 0 BHADHN COc1ccc(CN2CCC(C)=C(C)C2)cc1C ZINC000482460934 533553125 /nfs/dbraw/zinc/55/31/25/533553125.db2.gz RAVPZYFKMFNESJ-UHFFFAOYSA-N 0 3 245.366 3.546 20 0 BHADHN Cc1ccc2c(c1)CN(CCc1ccccc1)C2 ZINC000482461025 386806761 /nfs/dbraw/zinc/80/67/61/386806761.db2.gz ZDEIVGQUXPGDOP-UHFFFAOYSA-N 0 3 237.346 3.553 20 0 BHADHN CSc1ccc(CN2CCC(C)=C(C)C2)cc1 ZINC000482461797 534204860 /nfs/dbraw/zinc/20/48/60/534204860.db2.gz UJKJUIXGTWEGOC-UHFFFAOYSA-N 0 3 247.407 3.951 20 0 BHADHN CC1=C(C)CN(Cc2coc3ccccc23)CC1 ZINC000482463145 528091199 /nfs/dbraw/zinc/09/11/99/528091199.db2.gz YHPDGIGNIOBSME-UHFFFAOYSA-N 0 3 241.334 3.975 20 0 BHADHN CC1=C(C)CN(C/C=C/c2ccccc2)CC1 ZINC000482463498 528090078 /nfs/dbraw/zinc/09/00/78/528090078.db2.gz ZZBCIRNFYGSHHH-RMKNXTFCSA-N 0 3 227.351 3.742 20 0 BHADHN CC1=C(C)CN(C/C=C\c2ccccc2)CC1 ZINC000482463499 528090665 /nfs/dbraw/zinc/09/06/65/528090665.db2.gz ZZBCIRNFYGSHHH-TWGQIWQCSA-N 0 3 227.351 3.742 20 0 BHADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(Cl)o1 ZINC000482483715 529478040 /nfs/dbraw/zinc/47/80/40/529478040.db2.gz JDHITQCNAXCBAD-GXSJLCMTSA-N 0 3 227.735 3.553 20 0 BHADHN CC[C@H]1[C@H](C)CCN1Cc1ccc(Cl)o1 ZINC000482483728 529341890 /nfs/dbraw/zinc/34/18/90/529341890.db2.gz JDHITQCNAXCBAD-KOLCDFICSA-N 0 3 227.735 3.553 20 0 BHADHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(Cl)o1 ZINC000482483729 529483648 /nfs/dbraw/zinc/48/36/48/529483648.db2.gz JDHITQCNAXCBAD-MWLCHTKSSA-N 0 3 227.735 3.553 20 0 BHADHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(Cl)o1 ZINC000482483731 529336993 /nfs/dbraw/zinc/33/69/93/529336993.db2.gz JDHITQCNAXCBAD-ONGXEEELSA-N 0 3 227.735 3.553 20 0 BHADHN CC[C@H]1[C@@H](C)CCN1Cc1cc(F)cc(F)c1 ZINC000482490697 529337253 /nfs/dbraw/zinc/33/72/53/529337253.db2.gz ZLKMVCUEKGTQQH-HZMBPMFUSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1[C@@H](C)CCN1Cc1cc(F)cc(F)c1 ZINC000482490698 529477695 /nfs/dbraw/zinc/47/76/95/529477695.db2.gz ZLKMVCUEKGTQQH-IINYFYTJSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1[C@H](C)CCN1Cc1cc(F)cc(F)c1 ZINC000482490699 529483603 /nfs/dbraw/zinc/48/36/03/529483603.db2.gz ZLKMVCUEKGTQQH-QMTHXVAHSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1[C@H](C)CCN1Cc1cc(F)cc(F)c1 ZINC000482490700 529341721 /nfs/dbraw/zinc/34/17/21/529341721.db2.gz ZLKMVCUEKGTQQH-YGRLFVJLSA-N 0 3 239.309 3.585 20 0 BHADHN CCCCN(C)Cc1ccc(Cl)cc1OC ZINC000482621021 528359188 /nfs/dbraw/zinc/35/91/88/528359188.db2.gz RGMCLUZGPKIYQD-UHFFFAOYSA-N 0 3 241.762 3.581 20 0 BHADHN CCCN(CC)Cc1ccc(Cl)cc1OC ZINC000482701009 528003554 /nfs/dbraw/zinc/00/35/54/528003554.db2.gz ZPOVQYPLTUZWST-UHFFFAOYSA-N 0 3 241.762 3.581 20 0 BHADHN CC[C@H](C)N(C)Cc1ccc(Cl)cc1OC ZINC000482796697 529691002 /nfs/dbraw/zinc/69/10/02/529691002.db2.gz VPZRBVJVOHQWIB-JTQLQIEISA-N 0 3 241.762 3.579 20 0 BHADHN CC[C@@H](C)N(C)Cc1ccc(Cl)cc1OC ZINC000482796699 529344646 /nfs/dbraw/zinc/34/46/46/529344646.db2.gz VPZRBVJVOHQWIB-SNVBAGLBSA-N 0 3 241.762 3.579 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](C)[C@H]1C ZINC000482837272 225230634 /nfs/dbraw/zinc/23/06/34/225230634.db2.gz IOVNTPDNSYUEHW-GMTAPVOTSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](C)[C@H]1C ZINC000482837273 225229953 /nfs/dbraw/zinc/22/99/53/225229953.db2.gz IOVNTPDNSYUEHW-MXWKQRLJSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](C)[C@@H]1C ZINC000482837274 225230301 /nfs/dbraw/zinc/23/03/01/225230301.db2.gz IOVNTPDNSYUEHW-OUAUKWLOSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](C)[C@@H]1C ZINC000482837275 225230897 /nfs/dbraw/zinc/23/08/97/225230897.db2.gz IOVNTPDNSYUEHW-VWYCJHECSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](C)[C@H]1C ZINC000482851797 225230438 /nfs/dbraw/zinc/23/04/38/225230438.db2.gz CWXSVAKNVJYBCY-GMTAPVOTSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](C)[C@H]1C ZINC000482851798 534045890 /nfs/dbraw/zinc/04/58/90/534045890.db2.gz CWXSVAKNVJYBCY-MXWKQRLJSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](C)[C@@H]1C ZINC000482851799 225230450 /nfs/dbraw/zinc/23/04/50/225230450.db2.gz CWXSVAKNVJYBCY-OUAUKWLOSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](C)[C@@H]1C ZINC000482851800 534045436 /nfs/dbraw/zinc/04/54/36/534045436.db2.gz CWXSVAKNVJYBCY-VWYCJHECSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@H](c1c(F)cccc1F)N1CC[C@@H](C)[C@H]1C ZINC000482861151 225230191 /nfs/dbraw/zinc/23/01/91/225230191.db2.gz VWHLGTZWYAQAKS-GMTAPVOTSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@@H](c1c(F)cccc1F)N1CC[C@@H](C)[C@H]1C ZINC000482861153 534040224 /nfs/dbraw/zinc/04/02/24/534040224.db2.gz VWHLGTZWYAQAKS-MXWKQRLJSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@H](c1c(F)cccc1F)N1CC[C@@H](C)[C@@H]1C ZINC000482861156 225230498 /nfs/dbraw/zinc/23/04/98/225230498.db2.gz VWHLGTZWYAQAKS-OUAUKWLOSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@@H](c1c(F)cccc1F)N1CC[C@@H](C)[C@@H]1C ZINC000482861159 534040648 /nfs/dbraw/zinc/04/06/48/534040648.db2.gz VWHLGTZWYAQAKS-VWYCJHECSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@H](c1ccc(F)cc1F)N1CC[C@@H](C)[C@H]1C ZINC000482886843 225231996 /nfs/dbraw/zinc/23/19/96/225231996.db2.gz HPRYMTFSWLJPCN-GMTAPVOTSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](C)[C@H]1C ZINC000482886844 534064333 /nfs/dbraw/zinc/06/43/33/534064333.db2.gz HPRYMTFSWLJPCN-MXWKQRLJSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@H](c1ccc(F)cc1F)N1CC[C@@H](C)[C@@H]1C ZINC000482886846 225232220 /nfs/dbraw/zinc/23/22/20/225232220.db2.gz HPRYMTFSWLJPCN-OUAUKWLOSA-N 0 3 239.309 3.756 20 0 BHADHN C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](C)[C@@H]1C ZINC000482886847 534063862 /nfs/dbraw/zinc/06/38/62/534063862.db2.gz HPRYMTFSWLJPCN-VWYCJHECSA-N 0 3 239.309 3.756 20 0 BHADHN Cc1cccc(CN2CC[C@H]2c2ccccc2)c1 ZINC000482950127 534710385 /nfs/dbraw/zinc/71/03/85/534710385.db2.gz QJRUWZFBRFCOFN-KRWDZBQOSA-N 0 3 237.346 3.942 20 0 BHADHN Cc1cccc(CN2CC[C@@H]2c2ccccc2)c1 ZINC000482950151 534711192 /nfs/dbraw/zinc/71/11/92/534711192.db2.gz QJRUWZFBRFCOFN-QGZVFWFLSA-N 0 3 237.346 3.942 20 0 BHADHN c1ccc([C@@H]2CCN2[C@@H]2C=CCCC2)cc1 ZINC000482954661 225233864 /nfs/dbraw/zinc/23/38/64/225233864.db2.gz TZXAUBPJRQTUIZ-CABCVRRESA-N 0 3 213.324 3.542 20 0 BHADHN c1ccc([C@@H]2CCN2[C@H]2C=CCCC2)cc1 ZINC000482954667 225233291 /nfs/dbraw/zinc/23/32/91/225233291.db2.gz TZXAUBPJRQTUIZ-GJZGRUSLSA-N 0 3 213.324 3.542 20 0 BHADHN c1ccc([C@H]2CCN2[C@@H]2C=CCCC2)cc1 ZINC000482954677 225233544 /nfs/dbraw/zinc/23/35/44/225233544.db2.gz TZXAUBPJRQTUIZ-HUUCEWRRSA-N 0 3 213.324 3.542 20 0 BHADHN c1ccc([C@H]2CCN2[C@H]2C=CCCC2)cc1 ZINC000482954678 225233195 /nfs/dbraw/zinc/23/31/95/225233195.db2.gz TZXAUBPJRQTUIZ-LSDHHAIUSA-N 0 3 213.324 3.542 20 0 BHADHN CC(C)[C@@H](C)N(C)Cc1ccsc1Cl ZINC000483154778 528406498 /nfs/dbraw/zinc/40/64/98/528406498.db2.gz NMQCKUJPKZGXAW-SECBINFHSA-N 0 3 231.792 3.878 20 0 BHADHN CC(C)[C@H](C)N(C)Cc1ccsc1Cl ZINC000483154779 528959456 /nfs/dbraw/zinc/95/94/56/528959456.db2.gz NMQCKUJPKZGXAW-VIFPVBQESA-N 0 3 231.792 3.878 20 0 BHADHN CCN(Cc1ccsc1Cl)CC(C)C ZINC000483179998 528863038 /nfs/dbraw/zinc/86/30/38/528863038.db2.gz PPCUGZWDNFHPBS-UHFFFAOYSA-N 0 3 231.792 3.879 20 0 BHADHN FCCCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000483206755 534431680 /nfs/dbraw/zinc/43/16/80/534431680.db2.gz DDGVBYBDSWOILZ-AWEZNQCLSA-N 0 3 239.309 3.712 20 0 BHADHN FCCCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000483206757 534432044 /nfs/dbraw/zinc/43/20/44/534432044.db2.gz DDGVBYBDSWOILZ-CQSZACIVSA-N 0 3 239.309 3.712 20 0 BHADHN Clc1sccc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000483259092 225238440 /nfs/dbraw/zinc/23/84/40/225238440.db2.gz VXIMARZTWLITFR-AOOOYVTPSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1sccc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000483259094 225238100 /nfs/dbraw/zinc/23/81/00/225238100.db2.gz VXIMARZTWLITFR-NXEZZACHSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1sccc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000483259095 225237214 /nfs/dbraw/zinc/23/72/14/225237214.db2.gz VXIMARZTWLITFR-UWVGGRQHSA-N 0 3 241.787 3.633 20 0 BHADHN CC(C)[C@H]1CCN(Cc2ccsc2Cl)C1 ZINC000483262357 527800100 /nfs/dbraw/zinc/80/01/00/527800100.db2.gz QJXUVZJGLFKJQB-JTQLQIEISA-N 0 3 243.803 3.879 20 0 BHADHN CC(C)[C@@H]1CCN(Cc2ccsc2Cl)C1 ZINC000483262358 528699634 /nfs/dbraw/zinc/69/96/34/528699634.db2.gz QJXUVZJGLFKJQB-SNVBAGLBSA-N 0 3 243.803 3.879 20 0 BHADHN CN(CCCC1CCCC1)CCC(F)(F)F ZINC000483263263 529880645 /nfs/dbraw/zinc/88/06/45/529880645.db2.gz NDWFKLQRBQIJPN-UHFFFAOYSA-N 0 3 237.309 3.841 20 0 BHADHN CCCCN(CCCF)Cc1ccccc1F ZINC000483269774 528408679 /nfs/dbraw/zinc/40/86/79/528408679.db2.gz NMSRGUXJEOREQV-UHFFFAOYSA-N 0 3 241.325 3.787 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2ccsc2Cl)C1 ZINC000483285343 225238774 /nfs/dbraw/zinc/23/87/74/225238774.db2.gz XNRAEPIPHXYBQQ-BDAKNGLRSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1ccsc1Cl ZINC000483285344 533807880 /nfs/dbraw/zinc/80/78/80/533807880.db2.gz XNRAEPIPHXYBQQ-DTWKUNHWSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2ccsc2Cl)C1 ZINC000483285345 225239565 /nfs/dbraw/zinc/23/95/65/225239565.db2.gz XNRAEPIPHXYBQQ-IUCAKERBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2ccsc2Cl)C1 ZINC000483285346 225238813 /nfs/dbraw/zinc/23/88/13/225238813.db2.gz XNRAEPIPHXYBQQ-RKDXNWHRSA-N 0 3 229.776 3.632 20 0 BHADHN Clc1sccc1CN1CC[C@H](C2CC2)C1 ZINC000483288167 225239307 /nfs/dbraw/zinc/23/93/07/225239307.db2.gz WKNKAQSREIQHMU-JTQLQIEISA-N 0 3 241.787 3.633 20 0 BHADHN Clc1sccc1CN1CC[C@@H](C2CC2)C1 ZINC000483288168 225239608 /nfs/dbraw/zinc/23/96/08/225239608.db2.gz WKNKAQSREIQHMU-SNVBAGLBSA-N 0 3 241.787 3.633 20 0 BHADHN CC[C@@H]1CCN(Cc2ccsc2Cl)C1 ZINC000483300634 529327137 /nfs/dbraw/zinc/32/71/37/529327137.db2.gz YCZUXKHAJPNIOU-SECBINFHSA-N 0 3 229.776 3.633 20 0 BHADHN CC[C@H]1CCN(Cc2ccsc2Cl)C1 ZINC000483300636 529239282 /nfs/dbraw/zinc/23/92/82/529239282.db2.gz YCZUXKHAJPNIOU-VIFPVBQESA-N 0 3 229.776 3.633 20 0 BHADHN CCCCCN1Cc2ccc(C)cc2C1 ZINC000483306259 528186706 /nfs/dbraw/zinc/18/67/06/528186706.db2.gz DNYCLBDQJROTSB-UHFFFAOYSA-N 0 3 203.329 3.501 20 0 BHADHN CC1=C(C)CN([C@H](C)c2cccc(F)c2)CC1 ZINC000483334123 528090046 /nfs/dbraw/zinc/09/00/46/528090046.db2.gz AXZLQIVDARHJFA-CYBMUJFWSA-N 0 3 233.330 3.929 20 0 BHADHN CC1=C(C)CN([C@@H](C)c2cccc(F)c2)CC1 ZINC000483334124 528091049 /nfs/dbraw/zinc/09/10/49/528091049.db2.gz AXZLQIVDARHJFA-ZDUSSCGKSA-N 0 3 233.330 3.929 20 0 BHADHN COc1cccc([C@H](C)N2CCC(C)=C(C)C2)c1 ZINC000483344356 533767771 /nfs/dbraw/zinc/76/77/71/533767771.db2.gz REHOYYYPFRNWPT-AWEZNQCLSA-N 0 3 245.366 3.798 20 0 BHADHN COc1cccc([C@@H](C)N2CCC(C)=C(C)C2)c1 ZINC000483344357 533700569 /nfs/dbraw/zinc/70/05/69/533700569.db2.gz REHOYYYPFRNWPT-CQSZACIVSA-N 0 3 245.366 3.798 20 0 BHADHN CC1=C(C)CN([C@H](C)c2ccc(F)cc2)CC1 ZINC000483354541 528090957 /nfs/dbraw/zinc/09/09/57/528090957.db2.gz MJVLPXVFSPTLOC-CYBMUJFWSA-N 0 3 233.330 3.929 20 0 BHADHN CC1=C(C)CN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000483354543 528091106 /nfs/dbraw/zinc/09/11/06/528091106.db2.gz MJVLPXVFSPTLOC-ZDUSSCGKSA-N 0 3 233.330 3.929 20 0 BHADHN Clc1sccc1CN1CC[C@@H]2CCC[C@H]21 ZINC000483354764 225241375 /nfs/dbraw/zinc/24/13/75/225241375.db2.gz JHOAERABMCHMLO-GXSJLCMTSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1sccc1CN1CC[C@H]2CCC[C@@H]21 ZINC000483354768 225241169 /nfs/dbraw/zinc/24/11/69/225241169.db2.gz JHOAERABMCHMLO-KOLCDFICSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1sccc1CN1CC[C@H]2CCC[C@H]21 ZINC000483354771 225240270 /nfs/dbraw/zinc/24/02/70/225240270.db2.gz JHOAERABMCHMLO-MWLCHTKSSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1sccc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000483354775 225241413 /nfs/dbraw/zinc/24/14/13/225241413.db2.gz JHOAERABMCHMLO-ONGXEEELSA-N 0 3 241.787 3.776 20 0 BHADHN CC1=C(C)CN([C@H](C)c2ccccc2F)CC1 ZINC000483365312 528091188 /nfs/dbraw/zinc/09/11/88/528091188.db2.gz KCCADAADSUISJW-CYBMUJFWSA-N 0 3 233.330 3.929 20 0 BHADHN CC1=C(C)CN([C@@H](C)c2ccccc2F)CC1 ZINC000483365313 528091095 /nfs/dbraw/zinc/09/10/95/528091095.db2.gz KCCADAADSUISJW-ZDUSSCGKSA-N 0 3 233.330 3.929 20 0 BHADHN CC1=C(C)CN(CCCCC(F)(F)F)CC1 ZINC000483365605 528089807 /nfs/dbraw/zinc/08/98/07/528089807.db2.gz LDMJQCMEUHBOFC-UHFFFAOYSA-N 0 3 235.293 3.761 20 0 BHADHN CC[C@@H]1CN([C@@H](C)c2ccccc2C)C[C@@H](C)O1 ZINC000483379168 529400774 /nfs/dbraw/zinc/40/07/74/529400774.db2.gz MMBSBKNHKOJUGT-QLFBSQMISA-N 0 3 247.382 3.555 20 0 BHADHN CC[C@@H]1CN([C@H](C)c2ccccc2C)C[C@@H](C)O1 ZINC000483379172 529401775 /nfs/dbraw/zinc/40/17/75/529401775.db2.gz MMBSBKNHKOJUGT-RBSFLKMASA-N 0 3 247.382 3.555 20 0 BHADHN CC[C@@H]1CN([C@H](C)c2ccccc2C)C[C@H](C)O1 ZINC000483379175 529401927 /nfs/dbraw/zinc/40/19/27/529401927.db2.gz MMBSBKNHKOJUGT-RRFJBIMHSA-N 0 3 247.382 3.555 20 0 BHADHN CC[C@@H]1CN([C@@H](C)c2ccccc2C)C[C@H](C)O1 ZINC000483379179 529401078 /nfs/dbraw/zinc/40/10/78/529401078.db2.gz MMBSBKNHKOJUGT-SOUVJXGZSA-N 0 3 247.382 3.555 20 0 BHADHN CC1=C(C)CN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000483384872 528092109 /nfs/dbraw/zinc/09/21/09/528092109.db2.gz OLDYBWMBJFBCSM-INIZCTEOSA-N 0 3 245.341 3.855 20 0 BHADHN CC1=C(C)CN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000483384873 528090908 /nfs/dbraw/zinc/09/09/08/528090908.db2.gz OLDYBWMBJFBCSM-MRXNPFEDSA-N 0 3 245.341 3.855 20 0 BHADHN CSc1ccccc1CN1CCC(C)=C(C)C1 ZINC000483388167 533039720 /nfs/dbraw/zinc/03/97/20/533039720.db2.gz ZGTQFJOFKIMDKE-UHFFFAOYSA-N 0 3 247.407 3.951 20 0 BHADHN Cc1ccccc1[C@H](C)N1C[C@H](C)OC(C)(C)C1 ZINC000483411941 225242225 /nfs/dbraw/zinc/24/22/25/225242225.db2.gz WIYSXOXXMXFSBF-KBPBESRZSA-N 0 3 247.382 3.555 20 0 BHADHN Cc1ccccc1[C@H](C)N1C[C@@H](C)OC(C)(C)C1 ZINC000483411945 225242131 /nfs/dbraw/zinc/24/21/31/225242131.db2.gz WIYSXOXXMXFSBF-KGLIPLIRSA-N 0 3 247.382 3.555 20 0 BHADHN Cc1ccccc1[C@@H](C)N1C[C@H](C)OC(C)(C)C1 ZINC000483411948 225243084 /nfs/dbraw/zinc/24/30/84/225243084.db2.gz WIYSXOXXMXFSBF-UONOGXRCSA-N 0 3 247.382 3.555 20 0 BHADHN Cc1ccccc1[C@@H](C)N1C[C@@H](C)OC(C)(C)C1 ZINC000483411950 225242590 /nfs/dbraw/zinc/24/25/90/225242590.db2.gz WIYSXOXXMXFSBF-ZIAGYGMSSA-N 0 3 247.382 3.555 20 0 BHADHN Cc1ccc(CN(C)Cc2ccccc2)cc1F ZINC000483413282 533875061 /nfs/dbraw/zinc/87/50/61/533875061.db2.gz WYHKKQYQGOOHLZ-UHFFFAOYSA-N 0 3 243.325 3.766 20 0 BHADHN C[C@@H]1CCSCCN1C/C=C\c1ccccc1 ZINC000483422434 534123522 /nfs/dbraw/zinc/12/35/22/534123522.db2.gz QIBTXOXDZDEYSX-BMWLXYDHSA-N 0 3 247.407 3.527 20 0 BHADHN C[C@H]1CCSCCN1C/C=C\c1ccccc1 ZINC000483422435 225242818 /nfs/dbraw/zinc/24/28/18/225242818.db2.gz QIBTXOXDZDEYSX-PODYEWJSSA-N 0 3 247.407 3.527 20 0 BHADHN CC(C)CN(CCCF)Cc1ccccc1F ZINC000483428776 527939310 /nfs/dbraw/zinc/93/93/10/527939310.db2.gz OOUSDBUYMAKGCM-UHFFFAOYSA-N 0 3 241.325 3.643 20 0 BHADHN C[C@H](c1ccccc1)N1CCC(C(F)F)CC1 ZINC000483519495 225244183 /nfs/dbraw/zinc/24/41/83/225244183.db2.gz NKIMPYKVHFDRNW-LLVKDONJSA-N 0 3 239.309 3.725 20 0 BHADHN C[C@@H](c1ccccc1)N1CCC(C(F)F)CC1 ZINC000483519496 534104912 /nfs/dbraw/zinc/10/49/12/534104912.db2.gz NKIMPYKVHFDRNW-NSHDSACASA-N 0 3 239.309 3.725 20 0 BHADHN CCCN(CC)Cc1cc(OC)ccc1Cl ZINC000483592459 528001185 /nfs/dbraw/zinc/00/11/85/528001185.db2.gz AMRPIXQWWXYWBG-UHFFFAOYSA-N 0 3 241.762 3.581 20 0 BHADHN CCCCC[N@@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000483965013 528167120 /nfs/dbraw/zinc/16/71/20/528167120.db2.gz PBDCDWRVNOOUHE-CYBMUJFWSA-N 0 3 235.371 3.965 20 0 BHADHN CCCCC[N@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000483965013 528167116 /nfs/dbraw/zinc/16/71/16/528167116.db2.gz PBDCDWRVNOOUHE-CYBMUJFWSA-N 0 3 235.371 3.965 20 0 BHADHN CCCCC[N@@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000483965014 528167189 /nfs/dbraw/zinc/16/71/89/528167189.db2.gz PBDCDWRVNOOUHE-ZDUSSCGKSA-N 0 3 235.371 3.965 20 0 BHADHN CCCCC[N@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000483965014 528167186 /nfs/dbraw/zinc/16/71/86/528167186.db2.gz PBDCDWRVNOOUHE-ZDUSSCGKSA-N 0 3 235.371 3.965 20 0 BHADHN CC(C)CCCN(C)Cc1cccs1 ZINC000484012673 527703158 /nfs/dbraw/zinc/70/31/58/527703158.db2.gz DEBXDEYKNPXOMC-UHFFFAOYSA-N 0 3 211.374 3.616 20 0 BHADHN CCCCCN([C@H](C)c1ccco1)C1CC1 ZINC000484066334 528182759 /nfs/dbraw/zinc/18/27/59/528182759.db2.gz GSSMCNLOQIJRJX-GFCCVEGCSA-N 0 3 221.344 3.995 20 0 BHADHN CCCCCN([C@@H](C)c1ccco1)C1CC1 ZINC000484066335 528183104 /nfs/dbraw/zinc/18/31/04/528183104.db2.gz GSSMCNLOQIJRJX-LBPRGKRZSA-N 0 3 221.344 3.995 20 0 BHADHN CC[C@H](C)N(C)Cc1cc(OC)ccc1Cl ZINC000484067705 529691096 /nfs/dbraw/zinc/69/10/96/529691096.db2.gz CMUUTCJDWBYGRN-JTQLQIEISA-N 0 3 241.762 3.579 20 0 BHADHN CC[C@@H](C)N(C)Cc1cc(OC)ccc1Cl ZINC000484067706 529344870 /nfs/dbraw/zinc/34/48/70/529344870.db2.gz CMUUTCJDWBYGRN-SNVBAGLBSA-N 0 3 241.762 3.579 20 0 BHADHN Cc1cc(C)cc(CCN[C@@H](C)c2ccco2)c1 ZINC000484178164 225249585 /nfs/dbraw/zinc/24/95/85/225249585.db2.gz QHDZSQCWPFTTGP-AWEZNQCLSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1cc(C)cc(CCN[C@H](C)c2ccco2)c1 ZINC000484178165 225249847 /nfs/dbraw/zinc/24/98/47/225249847.db2.gz QHDZSQCWPFTTGP-CQSZACIVSA-N 0 3 243.350 3.790 20 0 BHADHN CCC(C)(C)CCN1CCc2ccc(O)cc2C1 ZINC000485072922 528504877 /nfs/dbraw/zinc/50/48/77/528504877.db2.gz GGQPEOLIHLTFEW-UHFFFAOYSA-N 0 3 247.382 3.577 20 0 BHADHN Cc1cc(F)ccc1CN1CC2(C1)CCCC2 ZINC000485295629 533878368 /nfs/dbraw/zinc/87/83/68/533878368.db2.gz RHPUTOMJDDDXEG-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN Cc1ccc(CN2CC3(C2)CCCC3)c(C)c1 ZINC000485298594 533915066 /nfs/dbraw/zinc/91/50/66/533915066.db2.gz DHABKMAKJZDGEC-UHFFFAOYSA-N 0 3 229.367 3.679 20 0 BHADHN Cc1cccc(CN2CC3(C2)CCCC3)c1C ZINC000485301601 225252738 /nfs/dbraw/zinc/25/27/38/225252738.db2.gz KKCFVBHZMJBFRB-UHFFFAOYSA-N 0 3 229.367 3.679 20 0 BHADHN Fc1ccc(/C=C\CN2CC3(C2)CCCC3)cc1 ZINC000485302098 225252991 /nfs/dbraw/zinc/25/29/91/225252991.db2.gz LJBNYPSXBVDPNR-ARJAWSKDSA-N 0 3 245.341 3.715 20 0 BHADHN Fc1ccc(/C=C/CN2CC3(C2)CCCC3)cc1 ZINC000485302104 534461068 /nfs/dbraw/zinc/46/10/68/534461068.db2.gz LJBNYPSXBVDPNR-ONEGZZNKSA-N 0 3 245.341 3.715 20 0 BHADHN c1c2ccccc2oc1CN1CC2(C1)CCCC2 ZINC000485303998 225252938 /nfs/dbraw/zinc/25/29/38/225252938.db2.gz OYVFOZCZWKLTJH-UHFFFAOYSA-N 0 3 241.334 3.809 20 0 BHADHN C/C(=C/c1ccccc1)CN1CC2(C1)CCCC2 ZINC000485318090 527506290 /nfs/dbraw/zinc/50/62/90/527506290.db2.gz DNLMEOPPCGPCSL-PTNGSMBKSA-N 0 3 241.378 3.966 20 0 BHADHN C/C(=C\c1ccccc1)CN1CC2(C1)CCCC2 ZINC000485318091 527532784 /nfs/dbraw/zinc/53/27/84/527532784.db2.gz DNLMEOPPCGPCSL-RVDMUPIBSA-N 0 3 241.378 3.966 20 0 BHADHN Cc1ccc(CN2CC3(C2)CCCC3)cc1C ZINC000485324072 533914390 /nfs/dbraw/zinc/91/43/90/533914390.db2.gz RBSZVYURWSXICN-UHFFFAOYSA-N 0 3 229.367 3.679 20 0 BHADHN CC(C)CCN([C@H](C)c1ccco1)C1CC1 ZINC000485421870 527719993 /nfs/dbraw/zinc/71/99/93/527719993.db2.gz PVOMSSIZYFLLLZ-GFCCVEGCSA-N 0 3 221.344 3.851 20 0 BHADHN CC(C)CCN([C@@H](C)c1ccco1)C1CC1 ZINC000485421871 527719957 /nfs/dbraw/zinc/71/99/57/527719957.db2.gz PVOMSSIZYFLLLZ-LBPRGKRZSA-N 0 3 221.344 3.851 20 0 BHADHN CC1=C[C@@H](C)CN(c2ccnc3ccccc32)C1 ZINC000485438232 528132553 /nfs/dbraw/zinc/13/25/53/528132553.db2.gz JSHFAKFVIIJXJN-GFCCVEGCSA-N 0 3 238.334 3.637 20 0 BHADHN CC1=C[C@H](C)CN(c2ccnc3ccccc32)C1 ZINC000485438233 528143314 /nfs/dbraw/zinc/14/33/14/528143314.db2.gz JSHFAKFVIIJXJN-LBPRGKRZSA-N 0 3 238.334 3.637 20 0 BHADHN CCC1(CC)CCN(Cc2ncccc2C)CC1 ZINC000485687152 529056512 /nfs/dbraw/zinc/05/65/12/529056512.db2.gz LXEBVLDBFIONJL-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CC(C)CN(C)Cc1cc(F)cc(Cl)c1 ZINC000485695902 527914368 /nfs/dbraw/zinc/91/43/68/527914368.db2.gz QCWCZBGIWMRJSV-UHFFFAOYSA-N 0 3 229.726 3.567 20 0 BHADHN CC(C)N(Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000485702098 528935717 /nfs/dbraw/zinc/93/57/17/528935717.db2.gz NKIUZCFLYHOPKB-UHFFFAOYSA-N 0 3 241.737 3.852 20 0 BHADHN CC[C@@H](C)N(C)Cc1cc(F)cc(Cl)c1 ZINC000485702494 529345163 /nfs/dbraw/zinc/34/51/63/529345163.db2.gz BXBCOIQLIPEHBW-SECBINFHSA-N 0 3 229.726 3.709 20 0 BHADHN CC[C@H](C)N(C)Cc1cc(F)cc(Cl)c1 ZINC000485702495 529691378 /nfs/dbraw/zinc/69/13/78/529691378.db2.gz BXBCOIQLIPEHBW-VIFPVBQESA-N 0 3 229.726 3.709 20 0 BHADHN CCCN(Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000485702726 528131546 /nfs/dbraw/zinc/13/15/46/528131546.db2.gz QTOLRWKNFCLBJN-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CN(CCC1CC1)Cc1cc(F)cc(Cl)c1 ZINC000485711735 529876587 /nfs/dbraw/zinc/87/65/87/529876587.db2.gz KMQWFPAERNGMFJ-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CCCN(CC)Cc1cc(F)cc(Cl)c1 ZINC000485714170 528000314 /nfs/dbraw/zinc/00/03/14/528000314.db2.gz BVHXRNURGSWPSH-UHFFFAOYSA-N 0 3 229.726 3.711 20 0 BHADHN CN(Cc1cc(F)cc(Cl)c1)CC1CCC1 ZINC000485718029 529979260 /nfs/dbraw/zinc/97/92/60/529979260.db2.gz PTRFITDJQAGHIF-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CCCCN(C)Cc1cc(F)cc(Cl)c1 ZINC000485720802 528359010 /nfs/dbraw/zinc/35/90/10/528359010.db2.gz RUEUZJWPJHNURF-UHFFFAOYSA-N 0 3 229.726 3.711 20 0 BHADHN CCN(Cc1cc(F)cc(Cl)c1)C1CCC1 ZINC000485728098 528767019 /nfs/dbraw/zinc/76/70/19/528767019.db2.gz AAQXNFKMKHRXQH-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CCC1(CC)CCN(CCC(F)(F)F)CC1 ZINC000485884280 529057050 /nfs/dbraw/zinc/05/70/50/529057050.db2.gz WKSBGSZKVAIFCV-UHFFFAOYSA-N 0 3 237.309 3.841 20 0 BHADHN CCCN(c1ccnc2ccccc21)C1CC1 ZINC000485977506 528161039 /nfs/dbraw/zinc/16/10/39/528161039.db2.gz KORJDAKNQTXLCO-UHFFFAOYSA-N 0 3 226.323 3.614 20 0 BHADHN C[C@@H]1CCCCN1c1ccnc2ccccc21 ZINC000486425586 225264227 /nfs/dbraw/zinc/26/42/27/225264227.db2.gz RUQQYLSVRVEGBB-GFCCVEGCSA-N 0 3 226.323 3.614 20 0 BHADHN C[C@H]1CCCCN1c1ccnc2ccccc21 ZINC000486425800 534169106 /nfs/dbraw/zinc/16/91/06/534169106.db2.gz RUQQYLSVRVEGBB-LBPRGKRZSA-N 0 3 226.323 3.614 20 0 BHADHN Fc1ccc2cc(CN[C@@H]3C=CCCC3)[nH]c2c1 ZINC000486699835 534507273 /nfs/dbraw/zinc/50/72/73/534507273.db2.gz XYSRVGOOXCBBKF-CYBMUJFWSA-N 0 3 244.313 3.505 20 0 BHADHN Fc1ccc2cc(CN[C@H]3C=CCCC3)[nH]c2c1 ZINC000486699836 534507588 /nfs/dbraw/zinc/50/75/88/534507588.db2.gz XYSRVGOOXCBBKF-ZDUSSCGKSA-N 0 3 244.313 3.505 20 0 BHADHN CN(CCc1cc(Cl)ccc1Cl)C1CC1 ZINC000486739206 529932661 /nfs/dbraw/zinc/93/26/61/529932661.db2.gz SHMGYLIDDMCKFZ-UHFFFAOYSA-N 0 3 244.165 3.630 20 0 BHADHN CCOc1ccccc1CNC1CC(C(C)C)C1 ZINC000486894571 528730579 /nfs/dbraw/zinc/73/05/79/528730579.db2.gz ANRDPCOLTJQNPE-UHFFFAOYSA-N 0 3 247.382 3.610 20 0 BHADHN C[C@@H](NC/C=C\c1ccncc1)c1cccs1 ZINC000486938074 533328488 /nfs/dbraw/zinc/32/84/88/533328488.db2.gz NYZCTYHUTRGGEG-DTRQGZQOSA-N 0 3 244.363 3.507 20 0 BHADHN C[C@@H](NC/C=C/c1ccncc1)c1cccs1 ZINC000486938076 533326311 /nfs/dbraw/zinc/32/63/11/533326311.db2.gz NYZCTYHUTRGGEG-FXMSTWTQSA-N 0 3 244.363 3.507 20 0 BHADHN C[C@H](NC/C=C/c1ccncc1)c1cccs1 ZINC000486938077 533788595 /nfs/dbraw/zinc/78/85/95/533788595.db2.gz NYZCTYHUTRGGEG-KMOQFTEPSA-N 0 3 244.363 3.507 20 0 BHADHN C[C@H](NC/C=C\c1ccncc1)c1cccs1 ZINC000486938079 533788533 /nfs/dbraw/zinc/78/85/33/533788533.db2.gz NYZCTYHUTRGGEG-QQHVMHFCSA-N 0 3 244.363 3.507 20 0 BHADHN CC(C)COc1ccccc1CNCC1(C)CC1 ZINC000486953730 528182717 /nfs/dbraw/zinc/18/27/17/528182717.db2.gz GIUPDXOBEWCXQT-UHFFFAOYSA-N 0 3 247.382 3.611 20 0 BHADHN Cc1ccc(CN[C@H](C)CC2CCCCC2)nc1 ZINC000487161456 534086001 /nfs/dbraw/zinc/08/60/01/534086001.db2.gz QLPLHTMZIVELDQ-CQSZACIVSA-N 0 3 246.398 3.839 20 0 BHADHN Cc1ccccc1C[C@H](C)N(C)Cc1ccco1 ZINC000487526554 225310796 /nfs/dbraw/zinc/31/07/96/225310796.db2.gz OLQAFDPKAHQBKV-AWEZNQCLSA-N 0 3 243.350 3.651 20 0 BHADHN Cc1ccccc1C[C@@H](C)N(C)Cc1ccco1 ZINC000487526556 225310725 /nfs/dbraw/zinc/31/07/25/225310725.db2.gz OLQAFDPKAHQBKV-CQSZACIVSA-N 0 3 243.350 3.651 20 0 BHADHN Cc1cc(F)ccc1CN(C)[C@H]1C=CCCC1 ZINC000488009550 533877227 /nfs/dbraw/zinc/87/72/27/533877227.db2.gz NOBCUOYWPAGDHA-HNNXBMFYSA-N 0 3 233.330 3.675 20 0 BHADHN Cc1cc(F)ccc1CN(C)[C@@H]1C=CCCC1 ZINC000488009551 533877462 /nfs/dbraw/zinc/87/74/62/533877462.db2.gz NOBCUOYWPAGDHA-OAHLLOKOSA-N 0 3 233.330 3.675 20 0 BHADHN CCN(Cc1ccc(Cl)s1)C[C@H]1C[C@H]1C ZINC000488286113 528786896 /nfs/dbraw/zinc/78/68/96/528786896.db2.gz OXUUFHZSRCJDHY-NXEZZACHSA-N 0 3 243.803 3.879 20 0 BHADHN CCN(Cc1ccc(Cl)s1)C[C@@H]1C[C@@H]1C ZINC000488286114 528785817 /nfs/dbraw/zinc/78/58/17/528785817.db2.gz OXUUFHZSRCJDHY-UWVGGRQHSA-N 0 3 243.803 3.879 20 0 BHADHN CCN(Cc1ccc(Cl)s1)C[C@H]1C[C@@H]1C ZINC000488286115 528786426 /nfs/dbraw/zinc/78/64/26/528786426.db2.gz OXUUFHZSRCJDHY-VHSXEESVSA-N 0 3 243.803 3.879 20 0 BHADHN CCN(Cc1ccc(Cl)s1)C[C@@H]1C[C@H]1C ZINC000488286116 528787210 /nfs/dbraw/zinc/78/72/10/528787210.db2.gz OXUUFHZSRCJDHY-ZJUUUORDSA-N 0 3 243.803 3.879 20 0 BHADHN CC1(C)CCN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488286431 529009833 /nfs/dbraw/zinc/00/98/33/529009833.db2.gz AIQOGEKSZGRQOS-UHFFFAOYSA-N 0 3 246.329 3.539 20 0 BHADHN C[C@@H](c1ccccc1Cl)N(C)C[C@H]1C[C@H]1C ZINC000488288628 225360997 /nfs/dbraw/zinc/36/09/97/225360997.db2.gz DTMCHDMALSXJLE-GRYCIOLGSA-N 0 3 237.774 3.989 20 0 BHADHN C[C@H](c1ccccc1Cl)N(C)C[C@H]1C[C@H]1C ZINC000488288639 534139296 /nfs/dbraw/zinc/13/92/96/534139296.db2.gz DTMCHDMALSXJLE-IJLUTSLNSA-N 0 3 237.774 3.989 20 0 BHADHN C[C@H](c1ccccc1Cl)N(C)C[C@@H]1C[C@H]1C ZINC000488288642 534138827 /nfs/dbraw/zinc/13/88/27/534138827.db2.gz DTMCHDMALSXJLE-UTUOFQBUSA-N 0 3 237.774 3.989 20 0 BHADHN C[C@@H](c1ccccc1Cl)N(C)C[C@@H]1C[C@H]1C ZINC000488288644 225361816 /nfs/dbraw/zinc/36/18/16/225361816.db2.gz DTMCHDMALSXJLE-WOPDTQHZSA-N 0 3 237.774 3.989 20 0 BHADHN C[C@H]1C[C@@H]1CN(C)Cc1ccc(F)cc1Cl ZINC000488291769 225363066 /nfs/dbraw/zinc/36/30/66/225363066.db2.gz IZYCMORBPDJJOL-GXSJLCMTSA-N 0 3 241.737 3.567 20 0 BHADHN C[C@@H]1C[C@H]1CN(C)Cc1ccc(F)cc1Cl ZINC000488291770 534018222 /nfs/dbraw/zinc/01/82/22/534018222.db2.gz IZYCMORBPDJJOL-KOLCDFICSA-N 0 3 241.737 3.567 20 0 BHADHN C[C@@H]1C[C@@H]1CN(C)Cc1ccc(F)cc1Cl ZINC000488291771 533713881 /nfs/dbraw/zinc/71/38/81/533713881.db2.gz IZYCMORBPDJJOL-MWLCHTKSSA-N 0 3 241.737 3.567 20 0 BHADHN C[C@H]1C[C@H]1CN(C)Cc1ccc(F)cc1Cl ZINC000488291772 225363466 /nfs/dbraw/zinc/36/34/66/225363466.db2.gz IZYCMORBPDJJOL-ONGXEEELSA-N 0 3 241.737 3.567 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488292716 225363591 /nfs/dbraw/zinc/36/35/91/225363591.db2.gz FIULOUFDIDTIFG-GHMZBOCLSA-N 0 3 246.329 3.537 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488292718 225363578 /nfs/dbraw/zinc/36/35/78/225363578.db2.gz FIULOUFDIDTIFG-MNOVXSKESA-N 0 3 246.329 3.537 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488292720 225362692 /nfs/dbraw/zinc/36/26/92/225362692.db2.gz FIULOUFDIDTIFG-QWRGUYRKSA-N 0 3 246.329 3.537 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1cc2ccc(F)cc2[nH]1 ZINC000488292722 533805018 /nfs/dbraw/zinc/80/50/18/533805018.db2.gz FIULOUFDIDTIFG-WDEREUQCSA-N 0 3 246.329 3.537 20 0 BHADHN C[C@@H]1CCCN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488309250 533691578 /nfs/dbraw/zinc/69/15/78/533691578.db2.gz DXPLASDINQCETQ-LLVKDONJSA-N 0 3 246.329 3.539 20 0 BHADHN C[C@H]1CCCN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488309251 225366225 /nfs/dbraw/zinc/36/62/25/225366225.db2.gz DXPLASDINQCETQ-NSHDSACASA-N 0 3 246.329 3.539 20 0 BHADHN CCCCN(C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488310947 528359308 /nfs/dbraw/zinc/35/93/08/528359308.db2.gz HACMJAMUNGUASE-UHFFFAOYSA-N 0 3 234.318 3.539 20 0 BHADHN C[C@H]1C[C@@H]1CN(C)Cc1ccc(Cl)c(F)c1 ZINC000488311030 225368279 /nfs/dbraw/zinc/36/82/79/225368279.db2.gz RASBEVXHXRZSCS-GXSJLCMTSA-N 0 3 241.737 3.567 20 0 BHADHN C[C@@H]1C[C@H]1CN(C)Cc1ccc(Cl)c(F)c1 ZINC000488311031 534018456 /nfs/dbraw/zinc/01/84/56/534018456.db2.gz RASBEVXHXRZSCS-KOLCDFICSA-N 0 3 241.737 3.567 20 0 BHADHN C[C@@H]1C[C@@H]1CN(C)Cc1ccc(Cl)c(F)c1 ZINC000488311032 533714552 /nfs/dbraw/zinc/71/45/52/533714552.db2.gz RASBEVXHXRZSCS-MWLCHTKSSA-N 0 3 241.737 3.567 20 0 BHADHN C[C@H]1C[C@H]1CN(C)Cc1ccc(Cl)c(F)c1 ZINC000488311033 225369673 /nfs/dbraw/zinc/36/96/73/225369673.db2.gz RASBEVXHXRZSCS-ONGXEEELSA-N 0 3 241.737 3.567 20 0 BHADHN C[C@H](c1cc(F)ccc1F)N(C)C[C@H]1C[C@H]1C ZINC000488314403 225368780 /nfs/dbraw/zinc/36/87/80/225368780.db2.gz YNMAIQBACBEDAQ-GMTAPVOTSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@H](c1cc(F)ccc1F)N(C)C[C@@H]1C[C@H]1C ZINC000488314404 225368314 /nfs/dbraw/zinc/36/83/14/225368314.db2.gz YNMAIQBACBEDAQ-MXWKQRLJSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@@H](c1cc(F)ccc1F)N(C)C[C@H]1C[C@H]1C ZINC000488314405 534042439 /nfs/dbraw/zinc/04/24/39/534042439.db2.gz YNMAIQBACBEDAQ-OUAUKWLOSA-N 0 3 239.309 3.614 20 0 BHADHN C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H]1C[C@H]1C ZINC000488314406 534042730 /nfs/dbraw/zinc/04/27/30/534042730.db2.gz YNMAIQBACBEDAQ-VWYCJHECSA-N 0 3 239.309 3.614 20 0 BHADHN CC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488317543 528254961 /nfs/dbraw/zinc/25/49/61/528254961.db2.gz JRYQOODLICQXCS-UHFFFAOYSA-N 0 3 246.329 3.539 20 0 BHADHN CC1(C)CCCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000488317689 528943951 /nfs/dbraw/zinc/94/39/51/528943951.db2.gz VSOKTIDFGHZCOT-UHFFFAOYSA-N 0 3 246.329 3.681 20 0 BHADHN C[C@@H]1CCCCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000488319433 534162387 /nfs/dbraw/zinc/16/23/87/534162387.db2.gz CNAFTLKYRNVAIC-LLVKDONJSA-N 0 3 246.329 3.681 20 0 BHADHN C[C@H]1CCCCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000488319435 225371415 /nfs/dbraw/zinc/37/14/15/225371415.db2.gz CNAFTLKYRNVAIC-NSHDSACASA-N 0 3 246.329 3.681 20 0 BHADHN C[C@@H]1CCN(Cc2cc3ccc(F)cc3[nH]2)[C@@H]1C ZINC000488329725 534036786 /nfs/dbraw/zinc/03/67/86/534036786.db2.gz GTWXBEHROSFGHL-GHMZBOCLSA-N 0 3 246.329 3.537 20 0 BHADHN C[C@@H]1CCN(Cc2cc3ccc(F)cc3[nH]2)[C@H]1C ZINC000488329726 534037313 /nfs/dbraw/zinc/03/73/13/534037313.db2.gz GTWXBEHROSFGHL-MNOVXSKESA-N 0 3 246.329 3.537 20 0 BHADHN C[C@H]1CCN(Cc2cc3ccc(F)cc3[nH]2)[C@H]1C ZINC000488329727 225375594 /nfs/dbraw/zinc/37/55/94/225375594.db2.gz GTWXBEHROSFGHL-QWRGUYRKSA-N 0 3 246.329 3.537 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000488329728 534233090 /nfs/dbraw/zinc/23/30/90/534233090.db2.gz GTWXBEHROSFGHL-WDEREUQCSA-N 0 3 246.329 3.537 20 0 BHADHN CN(CCC1CC1)Cc1cc2ccc(F)cc2[nH]1 ZINC000488331577 529876660 /nfs/dbraw/zinc/87/66/60/529876660.db2.gz MQGYFXIEVMORQZ-UHFFFAOYSA-N 0 3 246.329 3.539 20 0 BHADHN CC(C)[C@@H]1CCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000488339815 528704782 /nfs/dbraw/zinc/70/47/82/528704782.db2.gz YAYOSXYGBRECAL-HNNXBMFYSA-N 0 3 246.329 3.537 20 0 BHADHN CC(C)[C@H]1CCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000488339816 527805404 /nfs/dbraw/zinc/80/54/04/527805404.db2.gz YAYOSXYGBRECAL-OAHLLOKOSA-N 0 3 246.329 3.537 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1cc2ccc(F)cc2[nH]1 ZINC000488347999 225381410 /nfs/dbraw/zinc/38/14/10/225381410.db2.gz ADWSJWSYJSXACA-GHMZBOCLSA-N 0 3 246.329 3.680 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1cc2ccc(F)cc2[nH]1 ZINC000488348001 534228136 /nfs/dbraw/zinc/22/81/36/534228136.db2.gz ADWSJWSYJSXACA-PHIMTYICSA-N 0 3 246.329 3.680 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1cc2ccc(F)cc2[nH]1 ZINC000488348003 533741341 /nfs/dbraw/zinc/74/13/41/533741341.db2.gz ADWSJWSYJSXACA-QWRGUYRKSA-N 0 3 246.329 3.680 20 0 BHADHN CC[C@@H]1CCN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488357956 529327125 /nfs/dbraw/zinc/32/71/25/529327125.db2.gz QMPVXXDZMCPBFJ-LLVKDONJSA-N 0 3 246.329 3.539 20 0 BHADHN CC[C@H]1CCN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488357959 529238784 /nfs/dbraw/zinc/23/87/84/529238784.db2.gz QMPVXXDZMCPBFJ-NSHDSACASA-N 0 3 246.329 3.539 20 0 BHADHN Cc1cc(C)nc(NC2CCC3(CC3)CC2)c1 ZINC000488443183 534140125 /nfs/dbraw/zinc/14/01/25/534140125.db2.gz BFMGGCXVBZCSEQ-UHFFFAOYSA-N 0 3 230.355 3.833 20 0 BHADHN CC(C)C1CC(N[C@@H]2CSc3ccccc32)C1 ZINC000488444904 388179599 /nfs/dbraw/zinc/17/95/99/388179599.db2.gz XJNFQJYBIOZIFQ-ORHYLEIMSA-N 0 3 247.407 3.858 20 0 BHADHN CC(C)C1CC(N[C@H]2CSc3ccccc32)C1 ZINC000488444906 388179476 /nfs/dbraw/zinc/17/94/76/388179476.db2.gz XJNFQJYBIOZIFQ-YIZWMMSDSA-N 0 3 247.407 3.858 20 0 BHADHN COc1cc(C)ccc1CNC1CC(C(C)C)C1 ZINC000488449531 388180757 /nfs/dbraw/zinc/18/07/57/388180757.db2.gz OAZAHJSUUKCREK-UHFFFAOYSA-N 0 3 247.382 3.528 20 0 BHADHN CC(C)C1CC(NC2(c3ccccc3F)CC2)C1 ZINC000488477823 388182239 /nfs/dbraw/zinc/18/22/39/388182239.db2.gz KFRTZFFCCYIPCT-UHFFFAOYSA-N 0 3 247.357 3.839 20 0 BHADHN CC(C)C1CC(NC2(c3cccc(F)c3)CC2)C1 ZINC000488483802 388182091 /nfs/dbraw/zinc/18/20/91/388182091.db2.gz TXAZGVVNEGSYMX-UHFFFAOYSA-N 0 3 247.357 3.839 20 0 BHADHN CCN(CC1CC1)[C@@H](C)c1cc(F)ccc1F ZINC000489336468 388208684 /nfs/dbraw/zinc/20/86/84/388208684.db2.gz WINCOKWLFNYCCQ-JTQLQIEISA-N 0 3 239.309 3.758 20 0 BHADHN CCN(CC1CC1)[C@H](C)c1cc(F)ccc1F ZINC000489336470 388208575 /nfs/dbraw/zinc/20/85/75/388208575.db2.gz WINCOKWLFNYCCQ-SNVBAGLBSA-N 0 3 239.309 3.758 20 0 BHADHN CCN(CC1CC1)[C@@H](C)c1ccc(F)cc1F ZINC000489386536 388210575 /nfs/dbraw/zinc/21/05/75/388210575.db2.gz ILLOBIRTUHESIJ-JTQLQIEISA-N 0 3 239.309 3.758 20 0 BHADHN CCN(CC1CC1)[C@H](C)c1ccc(F)cc1F ZINC000489386537 388210572 /nfs/dbraw/zinc/21/05/72/388210572.db2.gz ILLOBIRTUHESIJ-SNVBAGLBSA-N 0 3 239.309 3.758 20 0 BHADHN CN(Cc1ccc(Cl)s1)[C@@H]1CC1(C)C ZINC000489394791 388210642 /nfs/dbraw/zinc/21/06/42/388210642.db2.gz CLBOWEXWMUMKOW-SECBINFHSA-N 0 3 229.776 3.632 20 0 BHADHN CN(Cc1ccc(Cl)s1)[C@H]1CC1(C)C ZINC000489394793 388211052 /nfs/dbraw/zinc/21/10/52/388211052.db2.gz CLBOWEXWMUMKOW-VIFPVBQESA-N 0 3 229.776 3.632 20 0 BHADHN Cc1cc(CN(C)[C@@H]2CC2(C)C)c(C)s1 ZINC000489430394 398024919 /nfs/dbraw/zinc/02/49/19/398024919.db2.gz GAYQOIJFEDBPJP-GFCCVEGCSA-N 0 3 223.385 3.595 20 0 BHADHN Cc1cc(CN(C)[C@H]2CC2(C)C)c(C)s1 ZINC000489430406 398024834 /nfs/dbraw/zinc/02/48/34/398024834.db2.gz GAYQOIJFEDBPJP-LBPRGKRZSA-N 0 3 223.385 3.595 20 0 BHADHN CSc1ccccc1CN(C)[C@@H]1CC1(C)C ZINC000489437533 388213144 /nfs/dbraw/zinc/21/31/44/388213144.db2.gz NEVBPVHGZURATK-CYBMUJFWSA-N 0 3 235.396 3.639 20 0 BHADHN CSc1ccccc1CN(C)[C@H]1CC1(C)C ZINC000489437534 388213261 /nfs/dbraw/zinc/21/32/61/388213261.db2.gz NEVBPVHGZURATK-ZDUSSCGKSA-N 0 3 235.396 3.639 20 0 BHADHN CSc1ccc(CN(C)[C@@H]2CC2(C)C)cc1 ZINC000489441963 388215061 /nfs/dbraw/zinc/21/50/61/388215061.db2.gz UKMIWCBMRJFWRR-CYBMUJFWSA-N 0 3 235.396 3.639 20 0 BHADHN CSc1ccc(CN(C)[C@H]2CC2(C)C)cc1 ZINC000489441964 388214834 /nfs/dbraw/zinc/21/48/34/388214834.db2.gz UKMIWCBMRJFWRR-ZDUSSCGKSA-N 0 3 235.396 3.639 20 0 BHADHN CN(Cc1cc2ccccc2o1)[C@H]1CC1(C)C ZINC000489464587 388215763 /nfs/dbraw/zinc/21/57/63/388215763.db2.gz KTNOSBHGGDTXEQ-AWEZNQCLSA-N 0 3 229.323 3.663 20 0 BHADHN CN(Cc1cc2ccccc2o1)[C@@H]1CC1(C)C ZINC000489464588 388216037 /nfs/dbraw/zinc/21/60/37/388216037.db2.gz KTNOSBHGGDTXEQ-CQSZACIVSA-N 0 3 229.323 3.663 20 0 BHADHN CN(Cc1nc2ccccc2o1)C1(C)CCCC1 ZINC000489830984 388225007 /nfs/dbraw/zinc/22/50/07/388225007.db2.gz MYVCDGBPMUMMPR-UHFFFAOYSA-N 0 3 244.338 3.592 20 0 BHADHN CN(Cc1cccc(F)c1F)C1(C)CCCC1 ZINC000489842703 388225886 /nfs/dbraw/zinc/22/58/86/388225886.db2.gz LXABAZIINDSFNU-UHFFFAOYSA-N 0 3 239.309 3.729 20 0 BHADHN Cc1nc(CN(C)C2(C)CCCC2)sc1C ZINC000489855304 388226159 /nfs/dbraw/zinc/22/61/59/388226159.db2.gz ISPHWUWTIRNFNW-UHFFFAOYSA-N 0 3 238.400 3.524 20 0 BHADHN CN(Cc1ccccc1F)C1(C)CCCC1 ZINC000489886468 388226769 /nfs/dbraw/zinc/22/67/69/388226769.db2.gz MNMWIIGYLPMVBE-UHFFFAOYSA-N 0 3 221.319 3.590 20 0 BHADHN CN(Cc1cc(F)ccc1F)C1(C)CCCC1 ZINC000489895485 388227944 /nfs/dbraw/zinc/22/79/44/388227944.db2.gz HFYGDVFRKMUANY-UHFFFAOYSA-N 0 3 239.309 3.729 20 0 BHADHN CN(Cc1ccc(F)cc1F)C1(C)CCCC1 ZINC000489896562 388227669 /nfs/dbraw/zinc/22/76/69/388227669.db2.gz JXNWZODQUQMOCW-UHFFFAOYSA-N 0 3 239.309 3.729 20 0 BHADHN Cc1nc(CN(C)C2(C)CCCC2)c(C)s1 ZINC000490166553 388236516 /nfs/dbraw/zinc/23/65/16/388236516.db2.gz YTEPLWOAZKCSFS-UHFFFAOYSA-N 0 3 238.400 3.524 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1ccoc1C ZINC000490463280 388239109 /nfs/dbraw/zinc/23/91/09/388239109.db2.gz HZMUBVDTTVZYOI-LLVKDONJSA-N 0 3 209.333 3.599 20 0 BHADHN CCCC[C@H](C)N(C)Cc1ccoc1C ZINC000490463282 388239223 /nfs/dbraw/zinc/23/92/23/388239223.db2.gz HZMUBVDTTVZYOI-NSHDSACASA-N 0 3 209.333 3.599 20 0 BHADHN Clc1ccccc1CN1CC[C@@H](C2CC2)C1 ZINC000491134870 388272879 /nfs/dbraw/zinc/27/28/79/388272879.db2.gz XHRBDKQSMPOLMS-GFCCVEGCSA-N 0 3 235.758 3.572 20 0 BHADHN Clc1ccccc1CN1CC[C@H](C2CC2)C1 ZINC000491134876 388272742 /nfs/dbraw/zinc/27/27/42/388272742.db2.gz XHRBDKQSMPOLMS-LBPRGKRZSA-N 0 3 235.758 3.572 20 0 BHADHN Clc1ccc(CN2CC[C@H](C3CC3)C2)s1 ZINC000491142509 388272711 /nfs/dbraw/zinc/27/27/11/388272711.db2.gz ZJWDWMFHAUEIBU-JTQLQIEISA-N 0 3 241.787 3.633 20 0 BHADHN Clc1ccc(CN2CC[C@@H](C3CC3)C2)s1 ZINC000491142525 388272445 /nfs/dbraw/zinc/27/24/45/388272445.db2.gz ZJWDWMFHAUEIBU-SNVBAGLBSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1cccc(CN2CC[C@@H](C3CC3)C2)c1 ZINC000491160656 229192349 /nfs/dbraw/zinc/19/23/49/229192349.db2.gz IRJMBHRSGYJEEG-CYBMUJFWSA-N 0 3 235.758 3.572 20 0 BHADHN Clc1cccc(CN2CC[C@H](C3CC3)C2)c1 ZINC000491160657 229192311 /nfs/dbraw/zinc/19/23/11/229192311.db2.gz IRJMBHRSGYJEEG-ZDUSSCGKSA-N 0 3 235.758 3.572 20 0 BHADHN Clc1ccc(CN2CC[C@@H](C3CC3)C2)cc1 ZINC000491300304 388284014 /nfs/dbraw/zinc/28/40/14/388284014.db2.gz HINRKWSOOKQAHC-CYBMUJFWSA-N 0 3 235.758 3.572 20 0 BHADHN Clc1ccc(CN2CC[C@H](C3CC3)C2)cc1 ZINC000491300305 388283818 /nfs/dbraw/zinc/28/38/18/388283818.db2.gz HINRKWSOOKQAHC-ZDUSSCGKSA-N 0 3 235.758 3.572 20 0 BHADHN CC[C@@H]1CN([C@H](C)c2cccc(C)c2)C[C@@H](C)O1 ZINC000491357703 388288101 /nfs/dbraw/zinc/28/81/01/388288101.db2.gz AZDIDKAPJVEKLC-IIAWOOMASA-N 0 3 247.382 3.555 20 0 BHADHN CC[C@@H]1CN([C@@H](C)c2cccc(C)c2)C[C@@H](C)O1 ZINC000491357704 388287966 /nfs/dbraw/zinc/28/79/66/388287966.db2.gz AZDIDKAPJVEKLC-IJEWVQPXSA-N 0 3 247.382 3.555 20 0 BHADHN CC[C@@H]1CN([C@@H](C)c2cccc(C)c2)C[C@H](C)O1 ZINC000491357705 388287936 /nfs/dbraw/zinc/28/79/36/388287936.db2.gz AZDIDKAPJVEKLC-OFQRWUPVSA-N 0 3 247.382 3.555 20 0 BHADHN CC[C@@H]1CN([C@H](C)c2cccc(C)c2)C[C@H](C)O1 ZINC000491357706 388288153 /nfs/dbraw/zinc/28/81/53/388288153.db2.gz AZDIDKAPJVEKLC-SQWLQELKSA-N 0 3 247.382 3.555 20 0 BHADHN Cc1cccc([C@H](C)N2C[C@H](C)OC(C)(C)C2)c1 ZINC000491377346 388289695 /nfs/dbraw/zinc/28/96/95/388289695.db2.gz WXRLJQSOKLFROW-KBPBESRZSA-N 0 3 247.382 3.555 20 0 BHADHN Cc1cccc([C@H](C)N2C[C@@H](C)OC(C)(C)C2)c1 ZINC000491377347 388289927 /nfs/dbraw/zinc/28/99/27/388289927.db2.gz WXRLJQSOKLFROW-KGLIPLIRSA-N 0 3 247.382 3.555 20 0 BHADHN Cc1cccc([C@@H](C)N2C[C@H](C)OC(C)(C)C2)c1 ZINC000491377348 388289687 /nfs/dbraw/zinc/28/96/87/388289687.db2.gz WXRLJQSOKLFROW-UONOGXRCSA-N 0 3 247.382 3.555 20 0 BHADHN Cc1cccc([C@@H](C)N2C[C@@H](C)OC(C)(C)C2)c1 ZINC000491377349 225646598 /nfs/dbraw/zinc/64/65/98/225646598.db2.gz WXRLJQSOKLFROW-ZIAGYGMSSA-N 0 3 247.382 3.555 20 0 BHADHN C/C(=C\c1ccccc1)CNCc1occc1C ZINC000491411803 388292879 /nfs/dbraw/zinc/29/28/79/388292879.db2.gz AYBFKPFNCPPIBL-JLHYYAGUSA-N 0 3 241.334 3.781 20 0 BHADHN C/C(=C/c1ccccc1)CNCc1occc1C ZINC000491411804 388292993 /nfs/dbraw/zinc/29/29/93/388292993.db2.gz AYBFKPFNCPPIBL-RAXLEYEMSA-N 0 3 241.334 3.781 20 0 BHADHN FC1(F)CCCC[C@@H](CNCc2ccco2)C1 ZINC000491581168 388304566 /nfs/dbraw/zinc/30/45/66/388304566.db2.gz JREKLIOYGBYLNN-LLVKDONJSA-N 0 3 243.297 3.585 20 0 BHADHN FC1(F)CCCC[C@H](CNCc2ccco2)C1 ZINC000491581169 388304562 /nfs/dbraw/zinc/30/45/62/388304562.db2.gz JREKLIOYGBYLNN-NSHDSACASA-N 0 3 243.297 3.585 20 0 BHADHN Fc1cc(C2CC2)ccc1CNC1CCCC1 ZINC000491583447 388304568 /nfs/dbraw/zinc/30/45/68/388304568.db2.gz JMWNDOOIBJQOSH-UHFFFAOYSA-N 0 3 233.330 3.735 20 0 BHADHN CC(C)(C)CNCc1ccc(C2CC2)cc1F ZINC000491585381 388304456 /nfs/dbraw/zinc/30/44/56/388304456.db2.gz CJYBDEGDZZALEH-UHFFFAOYSA-N 0 3 235.346 3.839 20 0 BHADHN C[C@H](NCc1ccc(C2CC2)cc1F)C1CC1 ZINC000491596557 388304724 /nfs/dbraw/zinc/30/47/24/388304724.db2.gz LSYOWXJJJQDLDQ-JTQLQIEISA-N 0 3 233.330 3.591 20 0 BHADHN C[C@@H](NCc1ccc(C2CC2)cc1F)C1CC1 ZINC000491596558 388304850 /nfs/dbraw/zinc/30/48/50/388304850.db2.gz LSYOWXJJJQDLDQ-SNVBAGLBSA-N 0 3 233.330 3.591 20 0 BHADHN Cc1ccc(F)cc1CN1CCCC[C@H]1C ZINC000491857626 388325064 /nfs/dbraw/zinc/32/50/64/388325064.db2.gz ZCKIICMQAOWQMI-GFCCVEGCSA-N 0 3 221.319 3.509 20 0 BHADHN Cc1ccc(F)cc1CN1CCCC[C@@H]1C ZINC000491857627 388324852 /nfs/dbraw/zinc/32/48/52/388324852.db2.gz ZCKIICMQAOWQMI-LBPRGKRZSA-N 0 3 221.319 3.509 20 0 BHADHN Cc1ccc(F)cc1CN(C)Cc1ccccc1 ZINC000491954162 388329617 /nfs/dbraw/zinc/32/96/17/388329617.db2.gz CRMVNARQXOVJGK-UHFFFAOYSA-N 0 3 243.325 3.766 20 0 BHADHN CCCCN(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000492054152 388333196 /nfs/dbraw/zinc/33/31/96/388333196.db2.gz KCFPHEZZILSEHO-AAEUAGOBSA-N 0 3 221.344 3.635 20 0 BHADHN CCCCN(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000492054153 388333145 /nfs/dbraw/zinc/33/31/45/388333145.db2.gz KCFPHEZZILSEHO-DGCLKSJQSA-N 0 3 221.344 3.635 20 0 BHADHN CCCCN(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000492054154 388333045 /nfs/dbraw/zinc/33/30/45/388333045.db2.gz KCFPHEZZILSEHO-WCQYABFASA-N 0 3 221.344 3.635 20 0 BHADHN CCCCN(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000492054155 388333063 /nfs/dbraw/zinc/33/30/63/388333063.db2.gz KCFPHEZZILSEHO-YPMHNXCESA-N 0 3 221.344 3.635 20 0 BHADHN CCC1(C)CCN([C@H](C)c2ccccn2)CC1 ZINC000493884345 529022726 /nfs/dbraw/zinc/02/27/26/529022726.db2.gz XWWNTJSNRANJOT-CYBMUJFWSA-N 0 3 232.371 3.655 20 0 BHADHN CCC1(C)CCN([C@@H](C)c2ccccn2)CC1 ZINC000493884346 529022487 /nfs/dbraw/zinc/02/24/87/529022487.db2.gz XWWNTJSNRANJOT-ZDUSSCGKSA-N 0 3 232.371 3.655 20 0 BHADHN C[C@@H](CCc1ccccc1)CNCc1ccco1 ZINC000494021983 533670827 /nfs/dbraw/zinc/67/08/27/533670827.db2.gz CVGNTOWKZBXFFC-AWEZNQCLSA-N 0 3 243.350 3.638 20 0 BHADHN C[C@H](CCc1ccccc1)CNCc1ccco1 ZINC000494021986 533990172 /nfs/dbraw/zinc/99/01/72/533990172.db2.gz CVGNTOWKZBXFFC-CQSZACIVSA-N 0 3 243.350 3.638 20 0 BHADHN CCSCCN(C)C/C(C)=C\c1ccccc1 ZINC000494262659 529178699 /nfs/dbraw/zinc/17/86/99/529178699.db2.gz QIPPBKIJUPWPKP-OWBHPGMISA-N 0 3 249.423 3.775 20 0 BHADHN CCSCCN(C)C/C(C)=C/c1ccccc1 ZINC000494262660 529178791 /nfs/dbraw/zinc/17/87/91/529178791.db2.gz QIPPBKIJUPWPKP-WYMLVPIESA-N 0 3 249.423 3.775 20 0 BHADHN Fc1cncc(CNCCC2=CCCCCC2)c1 ZINC000494392650 226264638 /nfs/dbraw/zinc/26/46/38/226264638.db2.gz MPUVTYWAJLRZCF-UHFFFAOYSA-N 0 3 248.345 3.591 20 0 BHADHN CCOc1c(Cl)cccc1CN(CC)CC ZINC000494417671 528177189 /nfs/dbraw/zinc/17/71/89/528177189.db2.gz XYAVCRUUNWRWOM-UHFFFAOYSA-N 0 3 241.762 3.581 20 0 BHADHN C[C@@H]1CCCN(Cc2sccc2Cl)C1 ZINC000494422451 226264813 /nfs/dbraw/zinc/26/48/13/226264813.db2.gz BTGIZBAJKPJJLW-SECBINFHSA-N 0 3 229.776 3.633 20 0 BHADHN C[C@H]1CCCN(Cc2sccc2Cl)C1 ZINC000494422452 226264939 /nfs/dbraw/zinc/26/49/39/226264939.db2.gz BTGIZBAJKPJJLW-VIFPVBQESA-N 0 3 229.776 3.633 20 0 BHADHN C[C@@H]1CCCN(Cc2cc(Cl)cs2)C1 ZINC000494423948 533693608 /nfs/dbraw/zinc/69/36/08/533693608.db2.gz GPVNSNBKKKUYRK-SECBINFHSA-N 0 3 229.776 3.633 20 0 BHADHN C[C@H]1CCCN(Cc2cc(Cl)cs2)C1 ZINC000494423949 226265279 /nfs/dbraw/zinc/26/52/79/226265279.db2.gz GPVNSNBKKKUYRK-VIFPVBQESA-N 0 3 229.776 3.633 20 0 BHADHN Clc1csc(CN2CCCCCC2)c1 ZINC000494425459 226264533 /nfs/dbraw/zinc/26/45/33/226264533.db2.gz LWVFHMZADBVUKY-UHFFFAOYSA-N 0 3 229.776 3.778 20 0 BHADHN CCCN(CCC)Cc1scnc1C1CC1 ZINC000494439036 538926547 /nfs/dbraw/zinc/92/65/47/538926547.db2.gz YPQWNGUOOSIFTH-UHFFFAOYSA-N 0 3 238.400 3.643 20 0 BHADHN Cc1cscc1CN[C@H](C)c1cncc(C)c1 ZINC000494459374 226265399 /nfs/dbraw/zinc/26/53/99/226265399.db2.gz UXBVBPRUKFDLAB-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cscc1CN[C@@H](C)c1cncc(C)c1 ZINC000494459375 226265511 /nfs/dbraw/zinc/26/55/11/226265511.db2.gz UXBVBPRUKFDLAB-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cscc1CN[C@H](C)c1cnccc1C ZINC000494495685 226265881 /nfs/dbraw/zinc/26/58/81/226265881.db2.gz NVOUSAHRRXPZRO-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cscc1CN[C@@H](C)c1cnccc1C ZINC000494495686 226265652 /nfs/dbraw/zinc/26/56/52/226265652.db2.gz NVOUSAHRRXPZRO-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC(C)(C)CCCCNCc1cncc(F)c1 ZINC000494619634 527661008 /nfs/dbraw/zinc/66/10/08/527661008.db2.gz IBXLJBHDDMCHBF-UHFFFAOYSA-N 0 3 238.350 3.527 20 0 BHADHN CCCN(CC)Cc1ccc(OC)cc1Cl ZINC000494837390 528004578 /nfs/dbraw/zinc/00/45/78/528004578.db2.gz XKCHPKROZXLGPI-UHFFFAOYSA-N 0 3 241.762 3.581 20 0 BHADHN CC(C)=CCNCc1ccc2nc(C)sc2c1 ZINC000494849412 527443591 /nfs/dbraw/zinc/44/35/91/527443591.db2.gz GFYFWRLIZQTAGF-UHFFFAOYSA-N 0 3 246.379 3.661 20 0 BHADHN CCN(Cc1cc(Cl)cs1)C1CCC1 ZINC000494923900 528767054 /nfs/dbraw/zinc/76/70/54/528767054.db2.gz MNXJMMKVGUIDMQ-UHFFFAOYSA-N 0 3 229.776 3.776 20 0 BHADHN CCC[C@H]1CCCN(C/C=C/c2ccncc2)C1 ZINC000494931660 528376299 /nfs/dbraw/zinc/37/62/99/528376299.db2.gz RJTUHEHVLVKQSA-GIZXNFQBSA-N 0 3 244.382 3.607 20 0 BHADHN CCC[C@@H]1CCCN(C/C=C\c2ccncc2)C1 ZINC000494931661 527750520 /nfs/dbraw/zinc/75/05/20/527750520.db2.gz RJTUHEHVLVKQSA-QQNRWZHASA-N 0 3 244.382 3.607 20 0 BHADHN CCC[C@H]1CCCN(C/C=C\c2ccncc2)C1 ZINC000494931662 528375204 /nfs/dbraw/zinc/37/52/04/528375204.db2.gz RJTUHEHVLVKQSA-UYZDIKGJSA-N 0 3 244.382 3.607 20 0 BHADHN CCC[C@@H]1CCCN(C/C=C/c2ccncc2)C1 ZINC000494931663 527751419 /nfs/dbraw/zinc/75/14/19/527751419.db2.gz RJTUHEHVLVKQSA-WUTVXBCWSA-N 0 3 244.382 3.607 20 0 BHADHN CCCN(C)Cc1cccc(Cl)c1OCC ZINC000494933049 527853119 /nfs/dbraw/zinc/85/31/19/527853119.db2.gz RWBPFXKGHJESMP-UHFFFAOYSA-N 0 3 241.762 3.581 20 0 BHADHN CC1(C)CCN(Cc2cc(Cl)cs2)C1 ZINC000494933238 529010909 /nfs/dbraw/zinc/01/09/09/529010909.db2.gz SFPGEKLYDKHIFU-UHFFFAOYSA-N 0 3 229.776 3.633 20 0 BHADHN CC1(C)CCCN1Cc1cc(Cl)cs1 ZINC000494933374 528944681 /nfs/dbraw/zinc/94/46/81/528944681.db2.gz UWYWRNMJVQROMK-UHFFFAOYSA-N 0 3 229.776 3.776 20 0 BHADHN Clc1csc(CN2CC[C@H](C3CC3)C2)c1 ZINC000494940455 226271945 /nfs/dbraw/zinc/27/19/45/226271945.db2.gz SJJZLOYUHMCMNP-JTQLQIEISA-N 0 3 241.787 3.633 20 0 BHADHN Clc1csc(CN2CC[C@@H](C3CC3)C2)c1 ZINC000494940456 226272072 /nfs/dbraw/zinc/27/20/72/226272072.db2.gz SJJZLOYUHMCMNP-SNVBAGLBSA-N 0 3 241.787 3.633 20 0 BHADHN CCn1cccc1CN(C)[C@@H](C)c1ccccc1 ZINC000494942820 529547054 /nfs/dbraw/zinc/54/70/54/529547054.db2.gz RZYIMDIVDGUMJJ-AWEZNQCLSA-N 0 3 242.366 3.701 20 0 BHADHN CCn1cccc1CN(C)[C@H](C)c1ccccc1 ZINC000494942821 529547289 /nfs/dbraw/zinc/54/72/89/529547289.db2.gz RZYIMDIVDGUMJJ-CQSZACIVSA-N 0 3 242.366 3.701 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2cc(Cl)cs2)C1 ZINC000494956487 226272662 /nfs/dbraw/zinc/27/26/62/226272662.db2.gz MQYFVIRVRFMZKA-BDAKNGLRSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1cc(Cl)cs1 ZINC000494956488 533806020 /nfs/dbraw/zinc/80/60/20/533806020.db2.gz MQYFVIRVRFMZKA-DTWKUNHWSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2cc(Cl)cs2)C1 ZINC000494956489 226272688 /nfs/dbraw/zinc/27/26/88/226272688.db2.gz MQYFVIRVRFMZKA-IUCAKERBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2cc(Cl)cs2)C1 ZINC000494956490 226272352 /nfs/dbraw/zinc/27/23/52/226272352.db2.gz MQYFVIRVRFMZKA-RKDXNWHRSA-N 0 3 229.776 3.632 20 0 BHADHN CCC1(C)CCN(C/C=C\c2ccncc2)CC1 ZINC000494961788 529021026 /nfs/dbraw/zinc/02/10/26/529021026.db2.gz RUJORAUAHVIUMX-PLNGDYQASA-N 0 3 244.382 3.607 20 0 BHADHN CCC1(C)CCN(C/C=C/c2ccncc2)CC1 ZINC000494961789 529021702 /nfs/dbraw/zinc/02/17/02/529021702.db2.gz RUJORAUAHVIUMX-SNAWJCMRSA-N 0 3 244.382 3.607 20 0 BHADHN CC[C@@H](C)CN(C)Cc1cc(Cl)cs1 ZINC000494964482 529314092 /nfs/dbraw/zinc/31/40/92/529314092.db2.gz PTKWWRLYSHPVPY-SECBINFHSA-N 0 3 231.792 3.879 20 0 BHADHN CC[C@H](C)CN(C)Cc1cc(Cl)cs1 ZINC000494964483 529651245 /nfs/dbraw/zinc/65/12/45/529651245.db2.gz PTKWWRLYSHPVPY-VIFPVBQESA-N 0 3 231.792 3.879 20 0 BHADHN CC[C@H]1CCCN1Cc1cc(Cl)cs1 ZINC000494973285 529220566 /nfs/dbraw/zinc/22/05/66/529220566.db2.gz HPBXROOYIDJGHK-JTQLQIEISA-N 0 3 229.776 3.776 20 0 BHADHN CC[C@@H]1CCCN1Cc1cc(Cl)cs1 ZINC000494973287 529301840 /nfs/dbraw/zinc/30/18/40/529301840.db2.gz HPBXROOYIDJGHK-SNVBAGLBSA-N 0 3 229.776 3.776 20 0 BHADHN CC[C@]1(C)CCCN(C/C=C\c2ccncc2)C1 ZINC000494977192 529395245 /nfs/dbraw/zinc/39/52/45/529395245.db2.gz GZZVKNZFYAYUTD-DQOPKJQZSA-N 0 3 244.382 3.607 20 0 BHADHN CC[C@@]1(C)CCCN(C/C=C\c2ccncc2)C1 ZINC000494977194 529523089 /nfs/dbraw/zinc/52/30/89/529523089.db2.gz GZZVKNZFYAYUTD-LEXSJLIMSA-N 0 3 244.382 3.607 20 0 BHADHN CC[C@]1(C)CCCN(C/C=C/c2ccncc2)C1 ZINC000494977196 529395411 /nfs/dbraw/zinc/39/54/11/529395411.db2.gz GZZVKNZFYAYUTD-MQDFFIGUSA-N 0 3 244.382 3.607 20 0 BHADHN CC[C@@]1(C)CCCN(C/C=C/c2ccncc2)C1 ZINC000494977197 529523432 /nfs/dbraw/zinc/52/34/32/529523432.db2.gz GZZVKNZFYAYUTD-NBUZRDOWSA-N 0 3 244.382 3.607 20 0 BHADHN Cc1ccccc1[C@@H](NCCF)C1CCCC1 ZINC000494977841 226273884 /nfs/dbraw/zinc/27/38/84/226273884.db2.gz SYBGZKWLYFWKGS-HNNXBMFYSA-N 0 3 235.346 3.785 20 0 BHADHN Cc1ccccc1[C@H](NCCF)C1CCCC1 ZINC000494977846 226273672 /nfs/dbraw/zinc/27/36/72/226273672.db2.gz SYBGZKWLYFWKGS-OAHLLOKOSA-N 0 3 235.346 3.785 20 0 BHADHN CC[C@@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000494980644 529326634 /nfs/dbraw/zinc/32/66/34/529326634.db2.gz OWQPJZVUVGKYAK-SECBINFHSA-N 0 3 229.776 3.633 20 0 BHADHN CC[C@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000494980646 529238748 /nfs/dbraw/zinc/23/87/48/529238748.db2.gz OWQPJZVUVGKYAK-VIFPVBQESA-N 0 3 229.776 3.633 20 0 BHADHN C[C@@H]1CCN(Cc2cc(Cl)cs2)[C@H]1C ZINC000494981391 226273501 /nfs/dbraw/zinc/27/35/01/226273501.db2.gz SRELMIAAVAEDNW-BDAKNGLRSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1cc(Cl)cs1 ZINC000494981392 534233329 /nfs/dbraw/zinc/23/33/29/534233329.db2.gz SRELMIAAVAEDNW-DTWKUNHWSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H]1CCN(Cc2cc(Cl)cs2)[C@H]1C ZINC000494981393 226273902 /nfs/dbraw/zinc/27/39/02/226273902.db2.gz SRELMIAAVAEDNW-IUCAKERBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1CCN(Cc2cc(Cl)cs2)[C@@H]1C ZINC000494981394 226273613 /nfs/dbraw/zinc/27/36/13/226273613.db2.gz SRELMIAAVAEDNW-RKDXNWHRSA-N 0 3 229.776 3.632 20 0 BHADHN CC(C)[C@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000494982482 527800802 /nfs/dbraw/zinc/80/08/02/527800802.db2.gz XUJSKCJSKDMFBA-JTQLQIEISA-N 0 3 243.803 3.879 20 0 BHADHN CC(C)[C@@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000494982483 528699988 /nfs/dbraw/zinc/69/99/88/528699988.db2.gz XUJSKCJSKDMFBA-SNVBAGLBSA-N 0 3 243.803 3.879 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1cc(Cl)cs1 ZINC000494991252 534227898 /nfs/dbraw/zinc/22/78/98/534227898.db2.gz BXOCOZFLMINOPC-DTORHVGOSA-N 0 3 229.776 3.774 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1cc(Cl)cs1 ZINC000494991254 533740830 /nfs/dbraw/zinc/74/08/30/533740830.db2.gz BXOCOZFLMINOPC-IUCAKERBSA-N 0 3 229.776 3.774 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1cc(Cl)cs1 ZINC000494991256 226273941 /nfs/dbraw/zinc/27/39/41/226273941.db2.gz BXOCOZFLMINOPC-RKDXNWHRSA-N 0 3 229.776 3.774 20 0 BHADHN CCCN(Cc1cc(Cl)cs1)C1CC1 ZINC000495031431 528130377 /nfs/dbraw/zinc/13/03/77/528130377.db2.gz RQLHNZQRGNNLHT-UHFFFAOYSA-N 0 3 229.776 3.776 20 0 BHADHN CCC[C@H](C)N(C)Cc1scnc1C1CC1 ZINC000495056601 538927630 /nfs/dbraw/zinc/92/76/30/538927630.db2.gz CIGUJGKIGFUFAE-JTQLQIEISA-N 0 3 238.400 3.641 20 0 BHADHN CCC[C@@H](C)N(C)Cc1scnc1C1CC1 ZINC000495056602 538927492 /nfs/dbraw/zinc/92/74/92/538927492.db2.gz CIGUJGKIGFUFAE-SNVBAGLBSA-N 0 3 238.400 3.641 20 0 BHADHN C[C@@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1ccc(F)cc1F ZINC000495067052 533529948 /nfs/dbraw/zinc/52/99/48/533529948.db2.gz NFJIKKURSQWKKC-NZHONMPCSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@H]1C[C@@H](C)[C@@H]1C)c1ccc(F)cc1F ZINC000495067054 533549124 /nfs/dbraw/zinc/54/91/24/533549124.db2.gz NFJIKKURSQWKKC-PUXPGTEJSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(F)cc1F ZINC000495067056 533529428 /nfs/dbraw/zinc/52/94/28/533529428.db2.gz NFJIKKURSQWKKC-QOBXEIRBSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@@H](N[C@H]1C[C@@H](C)[C@H]1C)c1ccc(F)cc1F ZINC000495067057 533549144 /nfs/dbraw/zinc/54/91/44/533549144.db2.gz NFJIKKURSQWKKC-ZSJJWGNYSA-N 0 3 239.309 3.660 20 0 BHADHN CCOc1c(Cl)cccc1CN(C)C(C)C ZINC000495068211 528177008 /nfs/dbraw/zinc/17/70/08/528177008.db2.gz QBZJEPJAAUEWIZ-UHFFFAOYSA-N 0 3 241.762 3.579 20 0 BHADHN C[C@@H]1CCCCN1Cc1cc(Cl)cs1 ZINC000495071278 534162975 /nfs/dbraw/zinc/16/29/75/534162975.db2.gz BLMQDNYHYWECJN-SECBINFHSA-N 0 3 229.776 3.776 20 0 BHADHN C[C@H]1CCCCN1Cc1cc(Cl)cs1 ZINC000495071280 226276047 /nfs/dbraw/zinc/27/60/47/226276047.db2.gz BLMQDNYHYWECJN-VIFPVBQESA-N 0 3 229.776 3.776 20 0 BHADHN CCCCN(CC)Cc1scnc1C1CC1 ZINC000495072172 538927369 /nfs/dbraw/zinc/92/73/69/538927369.db2.gz CUSORPAZMGTLCH-UHFFFAOYSA-N 0 3 238.400 3.643 20 0 BHADHN C[C@@H]1CCCCN1Cc1sccc1Cl ZINC000495072687 226275764 /nfs/dbraw/zinc/27/57/64/226275764.db2.gz FSXFNGOPKNAHPW-SECBINFHSA-N 0 3 229.776 3.776 20 0 BHADHN C[C@H]1CCCCN1Cc1sccc1Cl ZINC000495072688 226275736 /nfs/dbraw/zinc/27/57/36/226275736.db2.gz FSXFNGOPKNAHPW-VIFPVBQESA-N 0 3 229.776 3.776 20 0 BHADHN C[C@H](N[C@H]1C[C@@H](C)[C@H]1C)c1ccc(F)cc1F ZINC000495092933 226276434 /nfs/dbraw/zinc/27/64/34/226276434.db2.gz NFJIKKURSQWKKC-RBQUTUCGSA-N 0 3 239.309 3.660 20 0 BHADHN C[C@H](N[C@H]1C[C@@H](C)[C@@H]1C)c1ccc(F)cc1F ZINC000495092934 226276613 /nfs/dbraw/zinc/27/66/13/226276613.db2.gz NFJIKKURSQWKKC-YCWTYVPXSA-N 0 3 239.309 3.660 20 0 BHADHN CN(Cc1cc(Cl)cs1)CC(C)(C)C ZINC000495171672 529978431 /nfs/dbraw/zinc/97/84/31/529978431.db2.gz ITZFLGYXAMKOOG-UHFFFAOYSA-N 0 3 231.792 3.879 20 0 BHADHN C[C@@H](NC/C=C/c1ccccc1)c1cncs1 ZINC000495410356 533326796 /nfs/dbraw/zinc/32/67/96/533326796.db2.gz VSULXVWOGOEPIO-FZKGZDJFSA-N 0 3 244.363 3.507 20 0 BHADHN C[C@H](NC/C=C\c1ccccc1)c1cncs1 ZINC000495410357 533788840 /nfs/dbraw/zinc/78/88/40/533788840.db2.gz VSULXVWOGOEPIO-JECSTDCCSA-N 0 3 244.363 3.507 20 0 BHADHN C[C@@H](NC/C=C\c1ccccc1)c1cncs1 ZINC000495410358 533327601 /nfs/dbraw/zinc/32/76/01/533327601.db2.gz VSULXVWOGOEPIO-VVEJJEBESA-N 0 3 244.363 3.507 20 0 BHADHN C[C@H](NC/C=C/c1ccccc1)c1cncs1 ZINC000495410359 533789023 /nfs/dbraw/zinc/78/90/23/533789023.db2.gz VSULXVWOGOEPIO-ZCRIDZFUSA-N 0 3 244.363 3.507 20 0 BHADHN CN(CCC(C)(C)C)Cc1ccc(F)cc1F ZINC000496855501 529873528 /nfs/dbraw/zinc/87/35/28/529873528.db2.gz VCOZLQDQNBYGKD-UHFFFAOYSA-N 0 3 241.325 3.833 20 0 BHADHN CN(CCC(C)(C)C)Cc1ccc(F)c(F)c1 ZINC000496900222 529873511 /nfs/dbraw/zinc/87/35/11/529873511.db2.gz TWHPWFIXMZBSJH-UHFFFAOYSA-N 0 3 241.325 3.833 20 0 BHADHN CC1(C)CCCN(c2ccnc3ccccc32)C1 ZINC000496916587 528939165 /nfs/dbraw/zinc/93/91/65/528939165.db2.gz OZYQKHMSYSQPGS-UHFFFAOYSA-N 0 3 240.350 3.861 20 0 BHADHN CC1(C)CCCN(Cc2cccc(Cl)c2)C1 ZINC000497370276 385013922 /nfs/dbraw/zinc/01/39/22/385013922.db2.gz XMTPDTLWVFSFKN-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN CC1(C)CCCN(Cc2ccccc2Cl)C1 ZINC000497386679 385027178 /nfs/dbraw/zinc/02/71/78/385027178.db2.gz JLJUJVJOSNGDTG-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN CC1(C)CCCN(Cc2ccc(Cl)cc2)C1 ZINC000497416098 385063977 /nfs/dbraw/zinc/06/39/77/385063977.db2.gz IFZUIZQSQLBTSO-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN CC1(C)CCCN(C/C=C\c2ccccc2)C1 ZINC000497474456 385123382 /nfs/dbraw/zinc/12/33/82/385123382.db2.gz VOKLUQGSSWUQJM-POHAHGRESA-N 0 3 229.367 3.822 20 0 BHADHN CC1(C)CCCN(C/C=C/c2ccccc2)C1 ZINC000497474457 385124926 /nfs/dbraw/zinc/12/49/26/385124926.db2.gz VOKLUQGSSWUQJM-UXBLZVDNSA-N 0 3 229.367 3.822 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1CCC(C)CC1 ZINC000497590349 259385955 /nfs/dbraw/zinc/38/59/55/259385955.db2.gz FGNMAXZFTUVSRP-LLVKDONJSA-N 0 3 239.309 3.758 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1CCC(C)CC1 ZINC000497590350 259385600 /nfs/dbraw/zinc/38/56/00/259385600.db2.gz FGNMAXZFTUVSRP-NSHDSACASA-N 0 3 239.309 3.758 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@H](C)C1 ZINC000497590924 259385855 /nfs/dbraw/zinc/38/58/55/259385855.db2.gz QLCDFYXQVOAWJC-MNOVXSKESA-N 0 3 239.309 3.758 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@H](C)C1 ZINC000497590925 259385836 /nfs/dbraw/zinc/38/58/36/259385836.db2.gz QLCDFYXQVOAWJC-QWRGUYRKSA-N 0 3 239.309 3.758 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H](C)C1 ZINC000497590926 259385895 /nfs/dbraw/zinc/38/58/95/259385895.db2.gz QLCDFYXQVOAWJC-WDEREUQCSA-N 0 3 239.309 3.758 20 0 BHADHN C[C@H](c1ccc(F)cc1F)N1CCC[C@@H](C)C1 ZINC000497591290 259386028 /nfs/dbraw/zinc/38/60/28/259386028.db2.gz XWXIBPILNTUMEF-GHMZBOCLSA-N 0 3 239.309 3.758 20 0 BHADHN C[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](C)C1 ZINC000497591291 259386008 /nfs/dbraw/zinc/38/60/08/259386008.db2.gz XWXIBPILNTUMEF-MNOVXSKESA-N 0 3 239.309 3.758 20 0 BHADHN C[C@@H](c1ccc(F)cc1F)N1CCC[C@H](C)C1 ZINC000497591292 259385681 /nfs/dbraw/zinc/38/56/81/259385681.db2.gz XWXIBPILNTUMEF-QWRGUYRKSA-N 0 3 239.309 3.758 20 0 BHADHN C[C@H](c1ccc(F)cc1F)N1CCC[C@H](C)C1 ZINC000497591293 259385617 /nfs/dbraw/zinc/38/56/17/259385617.db2.gz XWXIBPILNTUMEF-WDEREUQCSA-N 0 3 239.309 3.758 20 0 BHADHN C[C@@H](c1ccc(F)cc1F)N1CCCCCC1 ZINC000497608558 385222356 /nfs/dbraw/zinc/22/23/56/385222356.db2.gz AIGNCABHXZIYBI-NSHDSACASA-N 0 3 239.309 3.902 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1CCCCCC1 ZINC000497610414 385225524 /nfs/dbraw/zinc/22/55/24/385225524.db2.gz KEZWEBSKVYSBJE-LLVKDONJSA-N 0 3 239.309 3.902 20 0 BHADHN CCC[C@@H](C)N(C)c1ccnc2ccccc21 ZINC000498836682 528888547 /nfs/dbraw/zinc/88/85/47/528888547.db2.gz QRVLEWUXBKTJST-GFCCVEGCSA-N 0 3 228.339 3.860 20 0 BHADHN CCC[C@H](C)N(C)c1ccnc2ccccc21 ZINC000498836683 528049646 /nfs/dbraw/zinc/04/96/46/528049646.db2.gz QRVLEWUXBKTJST-LBPRGKRZSA-N 0 3 228.339 3.860 20 0 BHADHN CCC[C@H]1CCCCN1Cc1ccnn1C(C)C ZINC000499627514 528368697 /nfs/dbraw/zinc/36/86/97/528368697.db2.gz UQASXHDRNUPPGZ-AWEZNQCLSA-N 0 3 249.402 3.619 20 0 BHADHN CCC[C@@H]1CCCCN1Cc1ccnn1C(C)C ZINC000499627516 527739084 /nfs/dbraw/zinc/73/90/84/527739084.db2.gz UQASXHDRNUPPGZ-CQSZACIVSA-N 0 3 249.402 3.619 20 0 BHADHN C[C@@H]1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000499657242 534058874 /nfs/dbraw/zinc/05/88/74/534058874.db2.gz CKGMEDIUQRKPLI-CHWSQXEVSA-N 0 3 240.350 3.717 20 0 BHADHN C[C@@H]1CCN(c2ccnc3ccccc32)C[C@@H]1C ZINC000499657245 534060094 /nfs/dbraw/zinc/06/00/94/534060094.db2.gz CKGMEDIUQRKPLI-OLZOCXBDSA-N 0 3 240.350 3.717 20 0 BHADHN C[C@H]1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000499657250 226324257 /nfs/dbraw/zinc/32/42/57/226324257.db2.gz CKGMEDIUQRKPLI-QWHCGFSZSA-N 0 3 240.350 3.717 20 0 BHADHN C[C@H]1CN(c2ccnc3ccccc32)CC[C@@H]1C ZINC000499657252 533985906 /nfs/dbraw/zinc/98/59/06/533985906.db2.gz CKGMEDIUQRKPLI-STQMWFEESA-N 0 3 240.350 3.717 20 0 BHADHN C(CN1CCC12CCC2)SC1CCCCC1 ZINC000500070425 527480214 /nfs/dbraw/zinc/48/02/14/527480214.db2.gz BCXQWIKUMYCSMK-UHFFFAOYSA-N 0 3 239.428 3.681 20 0 BHADHN CCN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500140515 528970444 /nfs/dbraw/zinc/97/04/44/528970444.db2.gz PTCPTHXFOPXZCL-UHFFFAOYSA-N 0 3 241.737 3.621 20 0 BHADHN CC[C@@H](C)N(C)Cc1ccc(Cl)cc1F ZINC000500149061 529344971 /nfs/dbraw/zinc/34/49/71/529344971.db2.gz AQKATJNQZJQXMP-SECBINFHSA-N 0 3 229.726 3.709 20 0 BHADHN CC[C@H](C)N(C)Cc1ccc(Cl)cc1F ZINC000500149062 529691221 /nfs/dbraw/zinc/69/12/21/529691221.db2.gz AQKATJNQZJQXMP-VIFPVBQESA-N 0 3 229.726 3.709 20 0 BHADHN CC[C@@H](C)N(C)Cc1ccc(F)cc1Cl ZINC000500152036 529344894 /nfs/dbraw/zinc/34/48/94/529344894.db2.gz GYHFALAORPKGDO-SECBINFHSA-N 0 3 229.726 3.709 20 0 BHADHN CC[C@H](C)N(C)Cc1ccc(F)cc1Cl ZINC000500152037 529691327 /nfs/dbraw/zinc/69/13/27/529691327.db2.gz GYHFALAORPKGDO-VIFPVBQESA-N 0 3 229.726 3.709 20 0 BHADHN CCN(C)[C@@H](c1ccccc1Cl)C(C)C ZINC000500251907 527861820 /nfs/dbraw/zinc/86/18/20/527861820.db2.gz MGXBDZPYGSJVBD-CYBMUJFWSA-N 0 3 225.763 3.989 20 0 BHADHN CCN(C)[C@H](c1ccccc1Cl)C(C)C ZINC000500251908 527863661 /nfs/dbraw/zinc/86/36/61/527863661.db2.gz MGXBDZPYGSJVBD-ZDUSSCGKSA-N 0 3 225.763 3.989 20 0 BHADHN CC(C)OC[C@H](C)NCc1cccc(C(C)C)c1 ZINC000500408815 528016480 /nfs/dbraw/zinc/01/64/80/528016480.db2.gz YBQSXJSMTPPURC-AWEZNQCLSA-N 0 3 249.398 3.713 20 0 BHADHN CC(C)OC[C@@H](C)NCc1cccc(C(C)C)c1 ZINC000500408816 527999477 /nfs/dbraw/zinc/99/94/77/527999477.db2.gz YBQSXJSMTPPURC-CQSZACIVSA-N 0 3 249.398 3.713 20 0 BHADHN Cc1cc([C@@H](C)NCC2CCCCCC2)no1 ZINC000500461424 226325858 /nfs/dbraw/zinc/32/58/58/226325858.db2.gz JOYPRAPKPDCGSC-GFCCVEGCSA-N 0 3 236.359 3.604 20 0 BHADHN Cc1cc([C@H](C)NCC2CCCCCC2)no1 ZINC000500461425 226325813 /nfs/dbraw/zinc/32/58/13/226325813.db2.gz JOYPRAPKPDCGSC-LBPRGKRZSA-N 0 3 236.359 3.604 20 0 BHADHN C[C@H](NCC[C@@H]1CCCC[C@H]1C)c1ccccn1 ZINC000500630568 226326188 /nfs/dbraw/zinc/32/61/88/226326188.db2.gz DDAVRKAJHKNKRK-ILXRZTDVSA-N 0 3 246.398 3.949 20 0 BHADHN C[C@H](NCC[C@@H]1CCCC[C@@H]1C)c1ccccn1 ZINC000500630569 226326057 /nfs/dbraw/zinc/32/60/57/226326057.db2.gz DDAVRKAJHKNKRK-KKUMJFAQSA-N 0 3 246.398 3.949 20 0 BHADHN C[C@H](NCC[C@H]1CCCC[C@H]1C)c1ccccn1 ZINC000500630570 226326201 /nfs/dbraw/zinc/32/62/01/226326201.db2.gz DDAVRKAJHKNKRK-QLFBSQMISA-N 0 3 246.398 3.949 20 0 BHADHN C[C@H](NCC[C@H]1CCCC[C@@H]1C)c1ccccn1 ZINC000500630571 226326137 /nfs/dbraw/zinc/32/61/37/226326137.db2.gz DDAVRKAJHKNKRK-SOUVJXGZSA-N 0 3 246.398 3.949 20 0 BHADHN CC[C@H](C)N(C)Cc1cc(Cl)ccc1OC ZINC000500953175 529691530 /nfs/dbraw/zinc/69/15/30/529691530.db2.gz IMOHMQGGRMEJPZ-JTQLQIEISA-N 0 3 241.762 3.579 20 0 BHADHN CC[C@@H](C)N(C)Cc1cc(Cl)ccc1OC ZINC000500953176 529345063 /nfs/dbraw/zinc/34/50/63/529345063.db2.gz IMOHMQGGRMEJPZ-SNVBAGLBSA-N 0 3 241.762 3.579 20 0 BHADHN CC[C@H](C)NC1(c2ccc(F)cc2F)CCC1 ZINC000500981011 529180324 /nfs/dbraw/zinc/18/03/24/529180324.db2.gz UVVXSVBLEUEUEW-JTQLQIEISA-N 0 3 239.309 3.732 20 0 BHADHN CC[C@@H](C)NC1(c2ccc(F)cc2F)CCC1 ZINC000500981012 529374170 /nfs/dbraw/zinc/37/41/70/529374170.db2.gz UVVXSVBLEUEUEW-SNVBAGLBSA-N 0 3 239.309 3.732 20 0 BHADHN CCOc1ccccc1CN(C)CCC(C)(C)C ZINC000500983047 528723426 /nfs/dbraw/zinc/72/34/26/528723426.db2.gz PNLZLLICGREUFB-UHFFFAOYSA-N 0 3 249.398 3.953 20 0 BHADHN CCOc1ccccc1CN(C)[C@H]1C=CCCC1 ZINC000500985450 226326633 /nfs/dbraw/zinc/32/66/33/226326633.db2.gz XYLRPBIWYOUQOW-HNNXBMFYSA-N 0 3 245.366 3.626 20 0 BHADHN CCOc1ccccc1CN(C)[C@@H]1C=CCCC1 ZINC000500985451 528724070 /nfs/dbraw/zinc/72/40/70/528724070.db2.gz XYLRPBIWYOUQOW-OAHLLOKOSA-N 0 3 245.366 3.626 20 0 BHADHN CC1=CCN(CCSC2CCCCC2)CC1 ZINC000501015763 528121520 /nfs/dbraw/zinc/12/15/20/528121520.db2.gz QVYMQIQMNFCUJO-UHFFFAOYSA-N 0 3 239.428 3.704 20 0 BHADHN Cc1cccc([C@H](C)NCCOCC(C)C)c1C ZINC000501015897 226327054 /nfs/dbraw/zinc/32/70/54/226327054.db2.gz SCOVWBYUKWJOFF-HNNXBMFYSA-N 0 3 249.398 3.627 20 0 BHADHN Cc1cccc([C@@H](C)NCCOCC(C)C)c1C ZINC000501015900 226326945 /nfs/dbraw/zinc/32/69/45/226326945.db2.gz SCOVWBYUKWJOFF-OAHLLOKOSA-N 0 3 249.398 3.627 20 0 BHADHN CCCCCN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501028294 528185714 /nfs/dbraw/zinc/18/57/14/528185714.db2.gz MZKLIYGXMGWTKI-GDBMZVCRSA-N 0 3 247.382 3.639 20 0 BHADHN CCCCCN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501028295 528186942 /nfs/dbraw/zinc/18/69/42/528186942.db2.gz MZKLIYGXMGWTKI-GOEBONIOSA-N 0 3 247.382 3.639 20 0 BHADHN CCCCCN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501028296 528185838 /nfs/dbraw/zinc/18/58/38/528185838.db2.gz MZKLIYGXMGWTKI-HOCLYGCPSA-N 0 3 247.382 3.639 20 0 BHADHN CCCCCN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501028297 528186585 /nfs/dbraw/zinc/18/65/85/528186585.db2.gz MZKLIYGXMGWTKI-ZBFHGGJFSA-N 0 3 247.382 3.639 20 0 BHADHN CC[C@@H](C)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000501033470 529357098 /nfs/dbraw/zinc/35/70/98/529357098.db2.gz SKUKESULWJVVIT-GHMZBOCLSA-N 0 3 239.309 3.553 20 0 BHADHN CC[C@@H](C)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000501033471 529357000 /nfs/dbraw/zinc/35/70/00/529357000.db2.gz SKUKESULWJVVIT-MNOVXSKESA-N 0 3 239.309 3.553 20 0 BHADHN CC[C@H](C)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000501033472 529701898 /nfs/dbraw/zinc/70/18/98/529701898.db2.gz SKUKESULWJVVIT-QWRGUYRKSA-N 0 3 239.309 3.553 20 0 BHADHN CC[C@H](C)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000501033473 529701915 /nfs/dbraw/zinc/70/19/15/529701915.db2.gz SKUKESULWJVVIT-WDEREUQCSA-N 0 3 239.309 3.553 20 0 BHADHN CCC[C@@H](C)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000501059460 528886502 /nfs/dbraw/zinc/88/65/02/528886502.db2.gz NJRYWOANQLWSQI-SECBINFHSA-N 0 3 245.288 3.724 20 0 BHADHN CCC[C@H](C)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000501059461 528047984 /nfs/dbraw/zinc/04/79/84/528047984.db2.gz NJRYWOANQLWSQI-VIFPVBQESA-N 0 3 245.288 3.724 20 0 BHADHN Cc1ccccc1[C@@H](C)N(C)CCOCC(C)C ZINC000501079406 226327291 /nfs/dbraw/zinc/32/72/91/226327291.db2.gz SKMPTTIIQUXYML-OAHLLOKOSA-N 0 3 249.398 3.660 20 0 BHADHN CCC[C@H](C)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000501094583 528053907 /nfs/dbraw/zinc/05/39/07/528053907.db2.gz PBXXASWHHKJLDM-DZKIICNBSA-N 0 3 247.382 3.637 20 0 BHADHN CCC[C@H](C)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000501094584 528053192 /nfs/dbraw/zinc/05/31/92/528053192.db2.gz PBXXASWHHKJLDM-LZWOXQAQSA-N 0 3 247.382 3.637 20 0 BHADHN CCC[C@H](C)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000501094585 528056575 /nfs/dbraw/zinc/05/65/75/528056575.db2.gz PBXXASWHHKJLDM-OFQRWUPVSA-N 0 3 247.382 3.637 20 0 BHADHN CCC[C@H](C)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000501094586 528052954 /nfs/dbraw/zinc/05/29/54/528052954.db2.gz PBXXASWHHKJLDM-SQWLQELKSA-N 0 3 247.382 3.637 20 0 BHADHN CCC[C@@H](C)N(C)Cc1ccccc1OCC ZINC000501119946 528888723 /nfs/dbraw/zinc/88/87/23/528888723.db2.gz XIJNBIKBMZACAZ-CYBMUJFWSA-N 0 3 235.371 3.706 20 0 BHADHN CCC[C@H](C)N(C)Cc1ccccc1OCC ZINC000501119948 528047093 /nfs/dbraw/zinc/04/70/93/528047093.db2.gz XIJNBIKBMZACAZ-ZDUSSCGKSA-N 0 3 235.371 3.706 20 0 BHADHN CCC[C@H](C)N(C)Cc1ccc(F)cc1F ZINC000501135048 528047234 /nfs/dbraw/zinc/04/72/34/528047234.db2.gz OAGDCLQYANQODW-JTQLQIEISA-N 0 3 227.298 3.585 20 0 BHADHN CCC[C@@H](C)N(C)Cc1ccc(F)cc1F ZINC000501135049 528888733 /nfs/dbraw/zinc/88/87/33/528888733.db2.gz OAGDCLQYANQODW-SNVBAGLBSA-N 0 3 227.298 3.585 20 0 BHADHN Cc1ccc([C@H](C)N(C)CCOCC(C)C)cc1 ZINC000501153432 226327155 /nfs/dbraw/zinc/32/71/55/226327155.db2.gz IEHFPVUFXAEEAB-HNNXBMFYSA-N 0 3 249.398 3.660 20 0 BHADHN Cc1ccc([C@@H](C)N(C)CCOCC(C)C)cc1 ZINC000501153434 226327116 /nfs/dbraw/zinc/32/71/16/226327116.db2.gz IEHFPVUFXAEEAB-OAHLLOKOSA-N 0 3 249.398 3.660 20 0 BHADHN Cc1ccc(-c2ccc(CNC3CCC3)o2)cc1 ZINC000501377586 226327620 /nfs/dbraw/zinc/32/76/20/226327620.db2.gz QUARTPADXXVWOK-UHFFFAOYSA-N 0 3 241.334 3.897 20 0 BHADHN CCN(CC)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000501384144 528186394 /nfs/dbraw/zinc/18/63/94/528186394.db2.gz BWORADUVQJBQLH-UHFFFAOYSA-N 0 3 247.382 3.656 20 0 BHADHN CCCCN(C)[C@H](C)c1ccccc1F ZINC000501387771 528368851 /nfs/dbraw/zinc/36/88/51/528368851.db2.gz NHDFJNCHQRPRDV-LLVKDONJSA-N 0 3 209.308 3.619 20 0 BHADHN CCCCN(C)[C@@H](C)c1ccccc1F ZINC000501387772 528368768 /nfs/dbraw/zinc/36/87/68/528368768.db2.gz NHDFJNCHQRPRDV-NSHDSACASA-N 0 3 209.308 3.619 20 0 BHADHN CC[C@@H](c1ccccc1)N1CC[C@](C)(F)C1 ZINC000501389044 529257267 /nfs/dbraw/zinc/25/72/67/529257267.db2.gz AEUKNZLHFZZDLA-KBPBESRZSA-N 0 3 221.319 3.572 20 0 BHADHN CC[C@H](c1ccccc1)N1CC[C@](C)(F)C1 ZINC000501389046 529182616 /nfs/dbraw/zinc/18/26/16/529182616.db2.gz AEUKNZLHFZZDLA-KGLIPLIRSA-N 0 3 221.319 3.572 20 0 BHADHN CC[C@@H](c1ccccc1)N1CC[C@@](C)(F)C1 ZINC000501389048 529257159 /nfs/dbraw/zinc/25/71/59/529257159.db2.gz AEUKNZLHFZZDLA-UONOGXRCSA-N 0 3 221.319 3.572 20 0 BHADHN CC[C@H](c1ccccc1)N1CC[C@@](C)(F)C1 ZINC000501389050 529182187 /nfs/dbraw/zinc/18/21/87/529182187.db2.gz AEUKNZLHFZZDLA-ZIAGYGMSSA-N 0 3 221.319 3.572 20 0 BHADHN CC(C)OC[C@H](C)NCc1ccc(C(C)C)cc1 ZINC000501393154 528016509 /nfs/dbraw/zinc/01/65/09/528016509.db2.gz YBLWYSRNLZYRAK-AWEZNQCLSA-N 0 3 249.398 3.713 20 0 BHADHN CC(C)OC[C@@H](C)NCc1ccc(C(C)C)cc1 ZINC000501393155 527999436 /nfs/dbraw/zinc/99/94/36/527999436.db2.gz YBLWYSRNLZYRAK-CQSZACIVSA-N 0 3 249.398 3.713 20 0 BHADHN C[C@]1(F)CCN(Cc2cccc3ccccc32)C1 ZINC000501409139 385251664 /nfs/dbraw/zinc/25/16/64/385251664.db2.gz JCJABMMSWVEXDN-INIZCTEOSA-N 0 3 243.325 3.774 20 0 BHADHN C[C@@]1(F)CCN(Cc2cccc3ccccc32)C1 ZINC000501409140 385251555 /nfs/dbraw/zinc/25/15/55/385251555.db2.gz JCJABMMSWVEXDN-MRXNPFEDSA-N 0 3 243.325 3.774 20 0 BHADHN C[C@]1(F)CCN(Cc2ccc3ccccc3c2)C1 ZINC000501444964 226328011 /nfs/dbraw/zinc/32/80/11/226328011.db2.gz JASPHFXFKXVRBR-INIZCTEOSA-N 0 3 243.325 3.774 20 0 BHADHN C[C@@]1(F)CCN(Cc2ccc3ccccc3c2)C1 ZINC000501444965 226327952 /nfs/dbraw/zinc/32/79/52/226327952.db2.gz JASPHFXFKXVRBR-MRXNPFEDSA-N 0 3 243.325 3.774 20 0 BHADHN CC1=CCCN(CCSC2CCCCC2)C1 ZINC000501845980 528103766 /nfs/dbraw/zinc/10/37/66/528103766.db2.gz ZNJOIJLVIFRFAQ-UHFFFAOYSA-N 0 3 239.428 3.704 20 0 BHADHN CC[C@@H](C)N(C)Cc1cc(Cl)ccc1F ZINC000501899198 529344695 /nfs/dbraw/zinc/34/46/95/529344695.db2.gz JZBFJQZHOCPZKF-SECBINFHSA-N 0 3 229.726 3.709 20 0 BHADHN CC[C@H](C)N(C)Cc1cc(Cl)ccc1F ZINC000501899199 529691465 /nfs/dbraw/zinc/69/14/65/529691465.db2.gz JZBFJQZHOCPZKF-VIFPVBQESA-N 0 3 229.726 3.709 20 0 BHADHN CCC[C@H](C)N(C)Cc1cc(F)cc(F)c1 ZINC000501915157 528048045 /nfs/dbraw/zinc/04/80/45/528048045.db2.gz JCCUGFAHXKDFLO-JTQLQIEISA-N 0 3 227.298 3.585 20 0 BHADHN CCC[C@@H](C)N(C)Cc1cc(F)cc(F)c1 ZINC000501915158 528887347 /nfs/dbraw/zinc/88/73/47/528887347.db2.gz JCCUGFAHXKDFLO-SNVBAGLBSA-N 0 3 227.298 3.585 20 0 BHADHN Cc1cc([C@@H](C)NCCc2ccccc2)oc1C ZINC000502404836 226329789 /nfs/dbraw/zinc/32/97/89/226329789.db2.gz HXAZACRGWNXZPH-CYBMUJFWSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1cc([C@H](C)NCCc2ccccc2)oc1C ZINC000502404837 226329629 /nfs/dbraw/zinc/32/96/29/226329629.db2.gz HXAZACRGWNXZPH-ZDUSSCGKSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1cc([C@H](C)NC[C@@H](C)C(F)(F)F)oc1C ZINC000502432178 226329918 /nfs/dbraw/zinc/32/99/18/226329918.db2.gz QTHFSMWXDIDDFF-BDAKNGLRSA-N 0 3 249.276 3.745 20 0 BHADHN Cc1cc([C@@H](C)NC[C@H](C)C(F)(F)F)oc1C ZINC000502432191 226329986 /nfs/dbraw/zinc/32/99/86/226329986.db2.gz QTHFSMWXDIDDFF-DTWKUNHWSA-N 0 3 249.276 3.745 20 0 BHADHN Cc1cc([C@H](C)NC[C@H](C)C(F)(F)F)oc1C ZINC000502432193 226329965 /nfs/dbraw/zinc/32/99/65/226329965.db2.gz QTHFSMWXDIDDFF-IUCAKERBSA-N 0 3 249.276 3.745 20 0 BHADHN Cc1cc([C@@H](C)NC[C@@H](C)C(F)(F)F)oc1C ZINC000502432194 226329860 /nfs/dbraw/zinc/32/98/60/226329860.db2.gz QTHFSMWXDIDDFF-RKDXNWHRSA-N 0 3 249.276 3.745 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CC23CCCC3)oc1C ZINC000502439394 385377106 /nfs/dbraw/zinc/37/71/06/385377106.db2.gz AACLEPTTZKAXTJ-BXUZGUMPSA-N 0 3 233.355 3.880 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CC23CCCC3)oc1C ZINC000502439397 385377005 /nfs/dbraw/zinc/37/70/05/385377005.db2.gz AACLEPTTZKAXTJ-FZMZJTMJSA-N 0 3 233.355 3.880 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CC23CCCC3)oc1C ZINC000502439398 385376425 /nfs/dbraw/zinc/37/64/25/385376425.db2.gz AACLEPTTZKAXTJ-RISCZKNCSA-N 0 3 233.355 3.880 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CC23CCCC3)oc1C ZINC000502439399 385377187 /nfs/dbraw/zinc/37/71/87/385377187.db2.gz AACLEPTTZKAXTJ-SMDDNHRTSA-N 0 3 233.355 3.880 20 0 BHADHN CC(C)=CCN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000502448112 527445179 /nfs/dbraw/zinc/44/51/79/527445179.db2.gz UWOODBPEQQTENS-CYBMUJFWSA-N 0 3 247.386 3.615 20 0 BHADHN CC(C)=CCN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000502448113 527444839 /nfs/dbraw/zinc/44/48/39/527444839.db2.gz UWOODBPEQQTENS-ZDUSSCGKSA-N 0 3 247.386 3.615 20 0 BHADHN CC[C@H](F)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000502484414 529438780 /nfs/dbraw/zinc/43/87/80/529438780.db2.gz HBSBZEKASLNAOP-GXTWGEPZSA-N 0 3 241.325 3.861 20 0 BHADHN CC[C@H](F)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000502484415 529438742 /nfs/dbraw/zinc/43/87/42/529438742.db2.gz HBSBZEKASLNAOP-JSGCOSHPSA-N 0 3 241.325 3.861 20 0 BHADHN CC[C@@H](F)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000502484416 529553874 /nfs/dbraw/zinc/55/38/74/529553874.db2.gz HBSBZEKASLNAOP-OCCSQVGLSA-N 0 3 241.325 3.861 20 0 BHADHN CC[C@@H](F)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000502484417 529553398 /nfs/dbraw/zinc/55/33/98/529553398.db2.gz HBSBZEKASLNAOP-TZMCWYRMSA-N 0 3 241.325 3.861 20 0 BHADHN CCCC[C@@H](CC)CN[C@H](C)c1cc(C)on1 ZINC000502552510 528781574 /nfs/dbraw/zinc/78/15/74/528781574.db2.gz QISGBFUDQWYSQI-CHWSQXEVSA-N 0 3 238.375 3.850 20 0 BHADHN CCCC[C@H](CC)CN[C@H](C)c1cc(C)on1 ZINC000502552860 528913850 /nfs/dbraw/zinc/91/38/50/528913850.db2.gz QISGBFUDQWYSQI-OLZOCXBDSA-N 0 3 238.375 3.850 20 0 BHADHN CCCC[C@@H](CC)CN[C@@H](C)c1cc(C)on1 ZINC000502552861 528780896 /nfs/dbraw/zinc/78/08/96/528780896.db2.gz QISGBFUDQWYSQI-QWHCGFSZSA-N 0 3 238.375 3.850 20 0 BHADHN CCCC[C@H](CC)CN[C@@H](C)c1cc(C)on1 ZINC000502552862 528913973 /nfs/dbraw/zinc/91/39/73/528913973.db2.gz QISGBFUDQWYSQI-STQMWFEESA-N 0 3 238.375 3.850 20 0 BHADHN Cc1cc([C@@H](C)NCCC2CCCCC2)no1 ZINC000502583226 226330698 /nfs/dbraw/zinc/33/06/98/226330698.db2.gz XQISSBQAPFGZJT-GFCCVEGCSA-N 0 3 236.359 3.604 20 0 BHADHN Cc1cc([C@H](C)NCCC2CCCCC2)no1 ZINC000502583227 226330726 /nfs/dbraw/zinc/33/07/26/226330726.db2.gz XQISSBQAPFGZJT-LBPRGKRZSA-N 0 3 236.359 3.604 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000502586422 534128069 /nfs/dbraw/zinc/12/80/69/534128069.db2.gz FFSIRIMKQVVNRB-LLVKDONJSA-N 0 3 223.747 3.887 20 0 BHADHN Cc1cc([C@@H](C)NCCc2cccs2)oc1C ZINC000502681465 226330728 /nfs/dbraw/zinc/33/07/28/226330728.db2.gz DICDAFVIOGJQGJ-LLVKDONJSA-N 0 3 249.379 3.851 20 0 BHADHN Cc1cc([C@H](C)NCCc2cccs2)oc1C ZINC000502681466 226330518 /nfs/dbraw/zinc/33/05/18/226330518.db2.gz DICDAFVIOGJQGJ-NSHDSACASA-N 0 3 249.379 3.851 20 0 BHADHN CC(C)CNC1(c2ccc(F)cc2F)CCC1 ZINC000503015424 528064725 /nfs/dbraw/zinc/06/47/25/528064725.db2.gz JVUNGSCEMGZROB-UHFFFAOYSA-N 0 3 239.309 3.590 20 0 BHADHN CCCCNCc1ccc(Oc2ccccc2)o1 ZINC000503575444 528553253 /nfs/dbraw/zinc/55/32/53/528553253.db2.gz DVAPCHXRVKTBJA-UHFFFAOYSA-N 0 3 245.322 3.962 20 0 BHADHN CC(C)CNCc1ccc(Oc2ccccc2)o1 ZINC000503576326 528065161 /nfs/dbraw/zinc/06/51/61/528065161.db2.gz OBONIPFDLPDETG-UHFFFAOYSA-N 0 3 245.322 3.818 20 0 BHADHN CC[C@@H](C)NCc1ccc(Oc2ccccc2)o1 ZINC000503585976 529374457 /nfs/dbraw/zinc/37/44/57/529374457.db2.gz HBVPQIUEDPJDML-GFCCVEGCSA-N 0 3 245.322 3.960 20 0 BHADHN CC[C@H](C)NCc1ccc(Oc2ccccc2)o1 ZINC000503585977 529180537 /nfs/dbraw/zinc/18/05/37/529180537.db2.gz HBVPQIUEDPJDML-LBPRGKRZSA-N 0 3 245.322 3.960 20 0 BHADHN CC(C)(C)NCc1ccc(Oc2ccccc2)o1 ZINC000503586296 526333126 /nfs/dbraw/zinc/33/31/26/526333126.db2.gz KFKQZRYDAJAQBM-UHFFFAOYSA-N 0 3 245.322 3.960 20 0 BHADHN CCN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000503604850 528923486 /nfs/dbraw/zinc/92/34/86/528923486.db2.gz ONLZPPNWXVDASZ-JTQLQIEISA-N 0 3 223.747 3.885 20 0 BHADHN CCN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000503604851 528924888 /nfs/dbraw/zinc/92/48/88/528924888.db2.gz ONLZPPNWXVDASZ-SNVBAGLBSA-N 0 3 223.747 3.885 20 0 BHADHN CCCCN(C)Cc1ccc(Cl)cc1F ZINC000503633848 528359981 /nfs/dbraw/zinc/35/99/81/528359981.db2.gz FWFFFPSJTNRBOC-UHFFFAOYSA-N 0 3 229.726 3.711 20 0 BHADHN CC(C)CN(C)Cc1ccc(Cl)cc1F ZINC000503639010 527915268 /nfs/dbraw/zinc/91/52/68/527915268.db2.gz CYBIYQBZWVIDMC-UHFFFAOYSA-N 0 3 229.726 3.567 20 0 BHADHN CC(C)=CCN1CC[C@@H](c2ccccc2F)C1 ZINC000503702958 527430862 /nfs/dbraw/zinc/43/08/62/527430862.db2.gz RVCAHLDFMUYNRU-CYBMUJFWSA-N 0 3 233.330 3.581 20 0 BHADHN CC(C)=CCN1CC[C@H](c2ccccc2F)C1 ZINC000503702959 527430585 /nfs/dbraw/zinc/43/05/85/527430585.db2.gz RVCAHLDFMUYNRU-ZDUSSCGKSA-N 0 3 233.330 3.581 20 0 BHADHN CCCC[C@@H](CCC)N[C@H](C)c1cc(C)on1 ZINC000503855023 528794611 /nfs/dbraw/zinc/79/46/11/528794611.db2.gz JBUFUURMICCGJF-CHWSQXEVSA-N 0 3 238.375 3.993 20 0 BHADHN CCCC[C@H](CCC)N[C@H](C)c1cc(C)on1 ZINC000503855024 528927250 /nfs/dbraw/zinc/92/72/50/528927250.db2.gz JBUFUURMICCGJF-OLZOCXBDSA-N 0 3 238.375 3.993 20 0 BHADHN CCCC[C@@H](CCC)N[C@@H](C)c1cc(C)on1 ZINC000503855025 528794623 /nfs/dbraw/zinc/79/46/23/528794623.db2.gz JBUFUURMICCGJF-QWHCGFSZSA-N 0 3 238.375 3.993 20 0 BHADHN CCCC[C@H](CCC)N[C@@H](C)c1cc(C)on1 ZINC000503855026 528927225 /nfs/dbraw/zinc/92/72/25/528927225.db2.gz JBUFUURMICCGJF-STQMWFEESA-N 0 3 238.375 3.993 20 0 BHADHN Cc1cc([C@H](C)N[C@H](C)C2CCCCC2)no1 ZINC000503885684 226336649 /nfs/dbraw/zinc/33/66/49/226336649.db2.gz LZEKWHWAANTELE-NEPJUHHUSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H](C)C2CCCCC2)no1 ZINC000503885685 226336757 /nfs/dbraw/zinc/33/67/57/226336757.db2.gz LZEKWHWAANTELE-NWDGAFQWSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@H](C)N[C@@H](C)C2CCCCC2)no1 ZINC000503885686 226336709 /nfs/dbraw/zinc/33/67/09/226336709.db2.gz LZEKWHWAANTELE-RYUDHWBXSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@@H](C)N[C@H](C)C2CCCCC2)no1 ZINC000503885689 226336659 /nfs/dbraw/zinc/33/66/59/226336659.db2.gz LZEKWHWAANTELE-VXGBXAGGSA-N 0 3 236.359 3.602 20 0 BHADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2cc(C)on2)C1 ZINC000503895494 529305096 /nfs/dbraw/zinc/30/50/96/529305096.db2.gz WJQJBSPVSBEMOE-JHJVBQTASA-N 0 3 236.359 3.602 20 0 BHADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2cc(C)on2)C1 ZINC000503895495 529315995 /nfs/dbraw/zinc/31/59/95/529315995.db2.gz WJQJBSPVSBEMOE-UPJWGTAASA-N 0 3 236.359 3.602 20 0 BHADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2cc(C)on2)C1 ZINC000503895496 529315971 /nfs/dbraw/zinc/31/59/71/529315971.db2.gz WJQJBSPVSBEMOE-XQQFMLRXSA-N 0 3 236.359 3.602 20 0 BHADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2cc(C)on2)C1 ZINC000503895497 529305114 /nfs/dbraw/zinc/30/51/14/529305114.db2.gz WJQJBSPVSBEMOE-YNEHKIRRSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@H](C)N[C@@H](C)CCCC(C)C)no1 ZINC000503947849 226337124 /nfs/dbraw/zinc/33/71/24/226337124.db2.gz NSLZMYYEZHWRJS-AAEUAGOBSA-N 0 3 238.375 3.848 20 0 BHADHN Cc1cc([C@@H](C)N[C@H](C)CCCC(C)C)no1 ZINC000503947851 226337013 /nfs/dbraw/zinc/33/70/13/226337013.db2.gz NSLZMYYEZHWRJS-DGCLKSJQSA-N 0 3 238.375 3.848 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H](C)CCCC(C)C)no1 ZINC000503947852 226337172 /nfs/dbraw/zinc/33/71/72/226337172.db2.gz NSLZMYYEZHWRJS-WCQYABFASA-N 0 3 238.375 3.848 20 0 BHADHN Cc1cc([C@H](C)N[C@H](C)CCCC(C)C)no1 ZINC000503947853 226336905 /nfs/dbraw/zinc/33/69/05/226336905.db2.gz NSLZMYYEZHWRJS-YPMHNXCESA-N 0 3 238.375 3.848 20 0 BHADHN CCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000503953555 529106894 /nfs/dbraw/zinc/10/68/94/529106894.db2.gz PGQDBRVTZXQYFE-JTQLQIEISA-N 0 3 241.737 3.506 20 0 BHADHN CCN1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000503953556 529083160 /nfs/dbraw/zinc/08/31/60/529083160.db2.gz PGQDBRVTZXQYFE-SNVBAGLBSA-N 0 3 241.737 3.506 20 0 BHADHN CCCN(CC)[C@@H](C)c1cc(F)ccc1F ZINC000503953591 528005570 /nfs/dbraw/zinc/00/55/70/528005570.db2.gz PNSINRQPXYEQOI-JTQLQIEISA-N 0 3 227.298 3.758 20 0 BHADHN CCCN(CC)[C@H](C)c1cc(F)ccc1F ZINC000503953592 528005151 /nfs/dbraw/zinc/00/51/51/528005151.db2.gz PNSINRQPXYEQOI-SNVBAGLBSA-N 0 3 227.298 3.758 20 0 BHADHN CCCN(CC)[C@H](C)c1ccccc1F ZINC000504000631 528005914 /nfs/dbraw/zinc/00/59/14/528005914.db2.gz CTKIPHKREQFSSZ-LLVKDONJSA-N 0 3 209.308 3.619 20 0 BHADHN CCCN(CC)[C@@H](C)c1ccccc1F ZINC000504000632 528005867 /nfs/dbraw/zinc/00/58/67/528005867.db2.gz CTKIPHKREQFSSZ-NSHDSACASA-N 0 3 209.308 3.619 20 0 BHADHN CCCN(CC)[C@@H](C)c1ccc(F)cc1F ZINC000504004675 528005580 /nfs/dbraw/zinc/00/55/80/528005580.db2.gz IOGHSGVKDWHDRB-JTQLQIEISA-N 0 3 227.298 3.758 20 0 BHADHN CCCN(CC)[C@H](C)c1ccc(F)cc1F ZINC000504004676 528005082 /nfs/dbraw/zinc/00/50/82/528005082.db2.gz IOGHSGVKDWHDRB-SNVBAGLBSA-N 0 3 227.298 3.758 20 0 BHADHN CCCN(CC)Cc1cc(Cl)ccc1F ZINC000505230196 528000722 /nfs/dbraw/zinc/00/07/22/528000722.db2.gz MJDDAZSYFCTUHJ-UHFFFAOYSA-N 0 3 229.726 3.711 20 0 BHADHN CN(Cc1cc(Cl)ccc1F)CC1CCC1 ZINC000505232683 529977867 /nfs/dbraw/zinc/97/78/67/529977867.db2.gz XPVYRYRIYLULQO-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CCCN(CC)Cc1cnc(CC(C)C)s1 ZINC000505236450 528003843 /nfs/dbraw/zinc/00/38/43/528003843.db2.gz ZIEVDMOFFPTYNS-UHFFFAOYSA-N 0 3 240.416 3.574 20 0 BHADHN CCN(CC)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000505259197 528186274 /nfs/dbraw/zinc/18/62/74/528186274.db2.gz DPXIMDYCKBMCAR-UHFFFAOYSA-N 0 3 247.313 3.928 20 0 BHADHN CCN(CC)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000505264328 528185943 /nfs/dbraw/zinc/18/59/43/528185943.db2.gz BTADRQKPSBGGMT-UHFFFAOYSA-N 0 3 249.251 3.686 20 0 BHADHN CCN(CC)Cc1ccc(-c2ccccc2)o1 ZINC000505267221 528185734 /nfs/dbraw/zinc/18/57/34/528185734.db2.gz TURCIPMDVGCHAK-UHFFFAOYSA-N 0 3 229.323 3.788 20 0 BHADHN CCN(CC)Cc1ccc(-c2ccccc2F)o1 ZINC000505277108 528186072 /nfs/dbraw/zinc/18/60/72/528186072.db2.gz MTRYROAWAIKEHS-UHFFFAOYSA-N 0 3 247.313 3.928 20 0 BHADHN CCN(CC)Cc1ccc(F)cc1C(F)(F)F ZINC000505291139 528191456 /nfs/dbraw/zinc/19/14/56/528191456.db2.gz VEJCQBSLPPFMFT-UHFFFAOYSA-N 0 3 249.251 3.686 20 0 BHADHN CCN(CC)Cc1ccccc1OC1CCCC1 ZINC000505295813 528199522 /nfs/dbraw/zinc/19/95/22/528199522.db2.gz MVFLUSQNNLQPTK-UHFFFAOYSA-N 0 3 247.382 3.850 20 0 BHADHN CC(C)[C@H](C)N(Cc1ccc(Cl)o1)C1CC1 ZINC000505297161 528959289 /nfs/dbraw/zinc/95/92/89/528959289.db2.gz ZTAWDVXEIIUUGL-JTQLQIEISA-N 0 3 241.762 3.942 20 0 BHADHN CC(C)[C@@H](C)N(Cc1ccc(Cl)o1)C1CC1 ZINC000505297162 528409203 /nfs/dbraw/zinc/40/92/03/528409203.db2.gz ZTAWDVXEIIUUGL-SNVBAGLBSA-N 0 3 241.762 3.942 20 0 BHADHN CCN(CC)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000505301559 528191560 /nfs/dbraw/zinc/19/15/60/528191560.db2.gz JUNPMPJMIAAKFN-UHFFFAOYSA-N 0 3 249.251 3.686 20 0 BHADHN CC(C)[C@@H](C)N(Cc1ccccc1F)C1CC1 ZINC000505302574 528408641 /nfs/dbraw/zinc/40/86/41/528408641.db2.gz WUMGMMMKSKOAMX-GFCCVEGCSA-N 0 3 235.346 3.835 20 0 BHADHN CC(C)[C@H](C)N(Cc1ccccc1F)C1CC1 ZINC000505302575 528960531 /nfs/dbraw/zinc/96/05/31/528960531.db2.gz WUMGMMMKSKOAMX-LBPRGKRZSA-N 0 3 235.346 3.835 20 0 BHADHN CC[C@@H]1CCCCN1Cc1sccc1OC ZINC000505307816 529274187 /nfs/dbraw/zinc/27/41/87/529274187.db2.gz JMBILIICDCCBCO-LLVKDONJSA-N 0 3 239.384 3.521 20 0 BHADHN CC[C@H]1CCCCN1Cc1sccc1OC ZINC000505307817 529202545 /nfs/dbraw/zinc/20/25/45/529202545.db2.gz JMBILIICDCCBCO-NSHDSACASA-N 0 3 239.384 3.521 20 0 BHADHN CCc1ccc(CN2CCCC[C@H]2CC)o1 ZINC000505313778 529639039 /nfs/dbraw/zinc/63/90/39/529639039.db2.gz JFWIMLOARRUGQY-GFCCVEGCSA-N 0 3 221.344 3.607 20 0 BHADHN CCc1ccc(CN2CCCC[C@@H]2CC)o1 ZINC000505313779 529639092 /nfs/dbraw/zinc/63/90/92/529639092.db2.gz JFWIMLOARRUGQY-LBPRGKRZSA-N 0 3 221.344 3.607 20 0 BHADHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(F)c(F)c1 ZINC000505324442 533738134 /nfs/dbraw/zinc/73/81/34/533738134.db2.gz BKWIXXAGWARKCW-GHMZBOCLSA-N 0 3 239.309 3.728 20 0 BHADHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(F)c(F)c1 ZINC000505324443 533830258 /nfs/dbraw/zinc/83/02/58/533830258.db2.gz BKWIXXAGWARKCW-PHIMTYICSA-N 0 3 239.309 3.728 20 0 BHADHN C[C@H]1CCC[C@H](C)N1Cc1ccc(F)c(F)c1 ZINC000505324444 226354140 /nfs/dbraw/zinc/35/41/40/226354140.db2.gz BKWIXXAGWARKCW-QWRGUYRKSA-N 0 3 239.309 3.728 20 0 BHADHN C[C@@H]1CCC[C@@H](C)N1Cc1cc(F)cc(F)c1 ZINC000505325425 533737465 /nfs/dbraw/zinc/73/74/65/533737465.db2.gz IEKPCSIJBXCELS-GHMZBOCLSA-N 0 3 239.309 3.728 20 0 BHADHN C[C@@H]1CCC[C@H](C)N1Cc1cc(F)cc(F)c1 ZINC000505325426 533830149 /nfs/dbraw/zinc/83/01/49/533830149.db2.gz IEKPCSIJBXCELS-PHIMTYICSA-N 0 3 239.309 3.728 20 0 BHADHN C[C@H]1CCC[C@H](C)N1Cc1cc(F)cc(F)c1 ZINC000505325427 226354024 /nfs/dbraw/zinc/35/40/24/226354024.db2.gz IEKPCSIJBXCELS-QWRGUYRKSA-N 0 3 239.309 3.728 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@H](C)C2)o1 ZINC000505325667 533742923 /nfs/dbraw/zinc/74/29/23/533742923.db2.gz JJGJFYFOOQIEBE-BZPMIXESSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN2CCC[C@@H](C)C2)o1 ZINC000505325668 226354124 /nfs/dbraw/zinc/35/41/24/226354124.db2.gz JJGJFYFOOQIEBE-DYEKYZERSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN2CCC[C@@H](C)C2)o1 ZINC000505325669 226353976 /nfs/dbraw/zinc/35/39/76/226353976.db2.gz JJGJFYFOOQIEBE-MBNYWOFBSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@@H](C)C2)o1 ZINC000505325671 534051281 /nfs/dbraw/zinc/05/12/81/534051281.db2.gz JJGJFYFOOQIEBE-YRGRVCCFSA-N 0 3 233.355 3.635 20 0 BHADHN CN(Cc1ccc(Cl)o1)C1CCCCC1 ZINC000505326490 529985840 /nfs/dbraw/zinc/98/58/40/529985840.db2.gz OCBGIKXOTVIRLG-UHFFFAOYSA-N 0 3 227.735 3.698 20 0 BHADHN C[C@@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000505330270 533692743 /nfs/dbraw/zinc/69/27/43/533692743.db2.gz JLAQPBRRWZOUPG-LLVKDONJSA-N 0 3 247.313 3.804 20 0 BHADHN C[C@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000505330271 226353867 /nfs/dbraw/zinc/35/38/67/226353867.db2.gz JLAQPBRRWZOUPG-NSHDSACASA-N 0 3 247.313 3.804 20 0 BHADHN C[C@H]1CCCN(C/C=C\c2ccc(F)cc2)C1 ZINC000505336582 226354283 /nfs/dbraw/zinc/35/42/83/226354283.db2.gz CGXDAMQLWMJXMP-DXTPNHAXSA-N 0 3 233.330 3.571 20 0 BHADHN C[C@@H]1CCCN(C/C=C\c2ccc(F)cc2)C1 ZINC000505336583 533678386 /nfs/dbraw/zinc/67/83/86/533678386.db2.gz CGXDAMQLWMJXMP-HSBHDXMMSA-N 0 3 233.330 3.571 20 0 BHADHN C[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000505336584 226354317 /nfs/dbraw/zinc/35/43/17/226354317.db2.gz CGXDAMQLWMJXMP-LQPUYASZSA-N 0 3 233.330 3.571 20 0 BHADHN C[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000505336585 533677878 /nfs/dbraw/zinc/67/78/78/533677878.db2.gz CGXDAMQLWMJXMP-MASHWEEQSA-N 0 3 233.330 3.571 20 0 BHADHN Cc1cc2cc(CN3CCCC3)oc2cc1C ZINC000505339912 534086624 /nfs/dbraw/zinc/08/66/24/534086624.db2.gz XTJYHZOZZQRKNJ-UHFFFAOYSA-N 0 3 229.323 3.645 20 0 BHADHN Fc1ccccc1-c1ccc(CN2CCCC2)o1 ZINC000505342241 534530090 /nfs/dbraw/zinc/53/00/90/534530090.db2.gz GPXLDGWFOCCADZ-UHFFFAOYSA-N 0 3 245.297 3.682 20 0 BHADHN Cc1ccc(-c2ccc(CN3CCCC3)o2)cc1 ZINC000505347908 226354454 /nfs/dbraw/zinc/35/44/54/226354454.db2.gz DPOAYPRAXBWZSD-UHFFFAOYSA-N 0 3 241.334 3.851 20 0 BHADHN CCCN(CCC)Cc1cc(F)c(F)c(F)c1 ZINC000505348634 528060111 /nfs/dbraw/zinc/06/01/11/528060111.db2.gz IGWMYTXIJVWCNS-UHFFFAOYSA-N 0 3 245.288 3.726 20 0 BHADHN CCCN(CCC)Cc1cccc(F)c1F ZINC000505350491 528059697 /nfs/dbraw/zinc/05/96/97/528059697.db2.gz OZFFGZKVRXYXFN-UHFFFAOYSA-N 0 3 227.298 3.587 20 0 BHADHN CCCN(CCC)Cc1ccc(Cl)o1 ZINC000505350840 528060766 /nfs/dbraw/zinc/06/07/66/528060766.db2.gz QNBOUVOTDBCTMR-UHFFFAOYSA-N 0 3 215.724 3.555 20 0 BHADHN COc1ccsc1CN(C)C1CCCCC1 ZINC000505352195 533095670 /nfs/dbraw/zinc/09/56/70/533095670.db2.gz WLVOLFGRMLJTEO-UHFFFAOYSA-N 0 3 239.384 3.521 20 0 BHADHN CCCN(CCC)Cc1cc(F)c(F)cc1F ZINC000505355629 528060708 /nfs/dbraw/zinc/06/07/08/528060708.db2.gz KUHOSYBTRKEKSA-UHFFFAOYSA-N 0 3 245.288 3.726 20 0 BHADHN c1ccc(OC2CCCC2)c(CN2CCCC2)c1 ZINC000505356382 226354656 /nfs/dbraw/zinc/35/46/56/226354656.db2.gz VNCCZCMOMYERQK-UHFFFAOYSA-N 0 3 245.366 3.604 20 0 BHADHN Fc1ccc(-c2ccc(CN3CCCC3)o2)cc1 ZINC000505362036 534451931 /nfs/dbraw/zinc/45/19/31/534451931.db2.gz KDLGIYZNZOJHTJ-UHFFFAOYSA-N 0 3 245.297 3.682 20 0 BHADHN Cc1cc(CN2CCCCCC2)ccc1F ZINC000505437740 533599046 /nfs/dbraw/zinc/59/90/46/533599046.db2.gz GVORHBCRLGCWGO-UHFFFAOYSA-N 0 3 221.319 3.510 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN2CCCCCC2)o1 ZINC000505460903 398080907 /nfs/dbraw/zinc/08/09/07/398080907.db2.gz GNHKFZCLYVFFFC-GXTWGEPZSA-N 0 3 233.355 3.779 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN2CCCCCC2)o1 ZINC000505460904 398081051 /nfs/dbraw/zinc/08/10/51/398081051.db2.gz GNHKFZCLYVFFFC-JSGCOSHPSA-N 0 3 233.355 3.779 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCCCCC2)o1 ZINC000505460905 398080695 /nfs/dbraw/zinc/08/06/95/398080695.db2.gz GNHKFZCLYVFFFC-OCCSQVGLSA-N 0 3 233.355 3.779 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CCCCCC2)o1 ZINC000505460906 398081232 /nfs/dbraw/zinc/08/12/32/398081232.db2.gz GNHKFZCLYVFFFC-TZMCWYRMSA-N 0 3 233.355 3.779 20 0 BHADHN COc1ccccc1/C=C/CN1CCCCCC1 ZINC000505461026 398081070 /nfs/dbraw/zinc/08/10/70/398081070.db2.gz HROOWGYWGDIKKR-CSKARUKUSA-N 0 3 245.366 3.584 20 0 BHADHN COc1ccccc1/C=C\CN1CCCCCC1 ZINC000505461027 398080742 /nfs/dbraw/zinc/08/07/42/398080742.db2.gz HROOWGYWGDIKKR-NTMALXAHSA-N 0 3 245.366 3.584 20 0 BHADHN Cc1ccc(F)c(CN2CCCCCC2)c1 ZINC000505461152 229244999 /nfs/dbraw/zinc/24/49/99/229244999.db2.gz IRQCJMAGGDIFPO-UHFFFAOYSA-N 0 3 221.319 3.510 20 0 BHADHN Cc1ccc(CN2CCCCCC2)cc1F ZINC000505466148 533918896 /nfs/dbraw/zinc/91/88/96/533918896.db2.gz CJVMHGAUAZIMLH-UHFFFAOYSA-N 0 3 221.319 3.510 20 0 BHADHN CC[C@@H](NCc1c(F)cccc1F)C(C)(C)C ZINC000505478352 529181325 /nfs/dbraw/zinc/18/13/25/529181325.db2.gz BWWYUPXXAGLBJB-CYBMUJFWSA-N 0 3 241.325 3.879 20 0 BHADHN CC[C@H](NCc1c(F)cccc1F)C(C)(C)C ZINC000505478353 529622770 /nfs/dbraw/zinc/62/27/70/529622770.db2.gz BWWYUPXXAGLBJB-ZDUSSCGKSA-N 0 3 241.325 3.879 20 0 BHADHN Cc1ccc(CN(C)Cc2cccs2)c(C)c1 ZINC000505559775 533875557 /nfs/dbraw/zinc/87/55/57/533875557.db2.gz MRSVACKOBWUNAK-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN Cc1cc(F)ccc1CN(C)Cc1cccs1 ZINC000505564139 533876782 /nfs/dbraw/zinc/87/67/82/533876782.db2.gz LKOHMWAJWLZYER-UHFFFAOYSA-N 0 3 249.354 3.828 20 0 BHADHN c1coc(CN(Cc2cccs2)CC2CC2)c1 ZINC000505564960 226356958 /nfs/dbraw/zinc/35/69/58/226356958.db2.gz RMNJAOLXZGAWBW-UHFFFAOYSA-N 0 3 247.363 3.753 20 0 BHADHN Cc1ccc(CN(C)Cc2cccs2)cc1C ZINC000505576979 533876279 /nfs/dbraw/zinc/87/62/79/533876279.db2.gz OBDBIDGTOWQLFG-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CCc1ccc(CN(C)Cc2cccs2)cc1 ZINC000505590942 529636585 /nfs/dbraw/zinc/63/65/85/529636585.db2.gz PWNUJYXHBXDNFJ-UHFFFAOYSA-N 0 3 245.391 3.943 20 0 BHADHN CN(Cc1ccccc1F)C[C@@H]1CC=CCC1 ZINC000505595193 530002770 /nfs/dbraw/zinc/00/27/70/530002770.db2.gz BTJVQMUFUDUQSE-CYBMUJFWSA-N 0 3 233.330 3.614 20 0 BHADHN CN(Cc1ccccc1F)C[C@H]1CC=CCC1 ZINC000505595197 530002779 /nfs/dbraw/zinc/00/27/79/530002779.db2.gz BTJVQMUFUDUQSE-ZDUSSCGKSA-N 0 3 233.330 3.614 20 0 BHADHN CC[C@@H]1CC[C@@H](C)N1Cc1c(F)cccc1F ZINC000505596345 529337775 /nfs/dbraw/zinc/33/77/75/529337775.db2.gz LFYQGJHCFSFEGW-GHMZBOCLSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@H]1CC[C@@H](C)N1Cc1c(F)cccc1F ZINC000505596346 529249339 /nfs/dbraw/zinc/24/93/39/529249339.db2.gz LFYQGJHCFSFEGW-MNOVXSKESA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@H]1CC[C@H](C)N1Cc1c(F)cccc1F ZINC000505596348 529253788 /nfs/dbraw/zinc/25/37/88/529253788.db2.gz LFYQGJHCFSFEGW-QWRGUYRKSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@@H]1CC[C@H](C)N1Cc1c(F)cccc1F ZINC000505596349 529343458 /nfs/dbraw/zinc/34/34/58/529343458.db2.gz LFYQGJHCFSFEGW-WDEREUQCSA-N 0 3 239.309 3.728 20 0 BHADHN CCc1ccc(CN(C)Cc2ccsc2)cc1 ZINC000505610815 529635762 /nfs/dbraw/zinc/63/57/62/529635762.db2.gz OXSWRRNFASOXFJ-UHFFFAOYSA-N 0 3 245.391 3.943 20 0 BHADHN Cc1cccc(CN(C)Cc2cccs2)c1C ZINC000505631819 226357884 /nfs/dbraw/zinc/35/78/84/226357884.db2.gz KBXDZZWIHHCZBX-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CN(C/C=C\c1ccccc1)Cc1cccs1 ZINC000505632825 529820689 /nfs/dbraw/zinc/82/06/89/529820689.db2.gz LIUSBRCZEHUEFC-UITAMQMPSA-N 0 3 243.375 3.893 20 0 BHADHN CC(C)[N@@H+](Cc1cccc([O-])c1)C1CCCCC1 ZINC000505767849 528946213 /nfs/dbraw/zinc/94/62/13/528946213.db2.gz VMSTUQAHBPTNCY-UHFFFAOYSA-N 0 3 247.382 3.935 20 0 BHADHN CC(C)[N@H+](Cc1cccc([O-])c1)C1CCCCC1 ZINC000505767849 528946209 /nfs/dbraw/zinc/94/62/09/528946209.db2.gz VMSTUQAHBPTNCY-UHFFFAOYSA-N 0 3 247.382 3.935 20 0 BHADHN CCCCCN(CCCCC)Cc1cc[nH]n1 ZINC000505842109 528168283 /nfs/dbraw/zinc/16/82/83/528168283.db2.gz CQKMSVZVFZDMHI-UHFFFAOYSA-N 0 3 237.391 3.592 20 0 BHADHN Cc1ccc(CN2CCCC[C@H]2C)cc1F ZINC000505847753 533924821 /nfs/dbraw/zinc/92/48/21/533924821.db2.gz FOFRNAFPTCQFJL-GFCCVEGCSA-N 0 3 221.319 3.509 20 0 BHADHN Cc1ccc(CN2CCCC[C@@H]2C)cc1F ZINC000505847754 533924151 /nfs/dbraw/zinc/92/41/51/533924151.db2.gz FOFRNAFPTCQFJL-LBPRGKRZSA-N 0 3 221.319 3.509 20 0 BHADHN CCc1ccc(CN(CC)Cc2ccccc2)o1 ZINC000505852786 529637491 /nfs/dbraw/zinc/63/74/91/529637491.db2.gz AJERLJXFXPXDOY-UHFFFAOYSA-N 0 3 243.350 3.864 20 0 BHADHN CCCCN(CC)Cc1cc(F)c(F)c(F)c1 ZINC000505853108 528394316 /nfs/dbraw/zinc/39/43/16/528394316.db2.gz GTGNEMFGZFCQOP-UHFFFAOYSA-N 0 3 245.288 3.726 20 0 BHADHN CCCCN(C)Cc1cc(Cl)ccc1F ZINC000505858541 528360530 /nfs/dbraw/zinc/36/05/30/528360530.db2.gz GBPWOHYITFIBKU-UHFFFAOYSA-N 0 3 229.726 3.711 20 0 BHADHN CCCCN(C)Cc1ccccc1OCC1CC1 ZINC000505859003 528359796 /nfs/dbraw/zinc/35/97/96/528359796.db2.gz NWBVRCTWZDJIEE-UHFFFAOYSA-N 0 3 247.382 3.707 20 0 BHADHN CCCCN(C)Cc1ccc(OC)cc1Cl ZINC000505863168 528359725 /nfs/dbraw/zinc/35/97/25/528359725.db2.gz AAKSDPAARDRDSO-UHFFFAOYSA-N 0 3 241.762 3.581 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN2CCC(C)CC2)o1 ZINC000505867427 226360632 /nfs/dbraw/zinc/36/06/32/226360632.db2.gz GFORBJJFGRFNPB-GXTWGEPZSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN2CCC(C)CC2)o1 ZINC000505867428 226360599 /nfs/dbraw/zinc/36/05/99/226360599.db2.gz GFORBJJFGRFNPB-JSGCOSHPSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(C)CC2)o1 ZINC000505867429 533743560 /nfs/dbraw/zinc/74/35/60/533743560.db2.gz GFORBJJFGRFNPB-OCCSQVGLSA-N 0 3 233.355 3.635 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CCC(C)CC2)o1 ZINC000505867430 534050065 /nfs/dbraw/zinc/05/00/65/534050065.db2.gz GFORBJJFGRFNPB-TZMCWYRMSA-N 0 3 233.355 3.635 20 0 BHADHN Cc1ccc(F)c(CN2CCCC[C@H]2C)c1 ZINC000505869203 226361046 /nfs/dbraw/zinc/36/10/46/226361046.db2.gz VOCOOQGUENQBIP-GFCCVEGCSA-N 0 3 221.319 3.509 20 0 BHADHN Cc1ccc(F)c(CN2CCCC[C@@H]2C)c1 ZINC000505869204 226361018 /nfs/dbraw/zinc/36/10/18/226361018.db2.gz VOCOOQGUENQBIP-LBPRGKRZSA-N 0 3 221.319 3.509 20 0 BHADHN CC(C)N(C)Cc1ccc(-c2ccccc2F)o1 ZINC000505871551 528833874 /nfs/dbraw/zinc/83/38/74/528833874.db2.gz FAVKTZNAGARXTQ-UHFFFAOYSA-N 0 3 247.313 3.926 20 0 BHADHN CC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000505871928 528226375 /nfs/dbraw/zinc/22/63/75/528226375.db2.gz IQIDOZYSYRBJOZ-IHWYPQMZSA-N 0 3 233.330 3.571 20 0 BHADHN CC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000505871929 528227366 /nfs/dbraw/zinc/22/73/66/528227366.db2.gz IQIDOZYSYRBJOZ-NSCUHMNNSA-N 0 3 233.330 3.571 20 0 BHADHN CCCCN(C)Cc1cccc(Cl)c1F ZINC000505872141 528359662 /nfs/dbraw/zinc/35/96/62/528359662.db2.gz KTLVFRBPQLOKLA-UHFFFAOYSA-N 0 3 229.726 3.711 20 0 BHADHN C[C@@H]1CCCCN1Cc1cc2cc(F)ccc2o1 ZINC000505873058 534162456 /nfs/dbraw/zinc/16/24/56/534162456.db2.gz VNBWYEJYRFILTN-LLVKDONJSA-N 0 3 247.313 3.946 20 0 BHADHN C[C@H]1CCCCN1Cc1cc2cc(F)ccc2o1 ZINC000505873059 226361065 /nfs/dbraw/zinc/36/10/65/226361065.db2.gz VNBWYEJYRFILTN-NSHDSACASA-N 0 3 247.313 3.946 20 0 BHADHN C[C@@H]1CCCCN1Cc1cc2ccccc2o1 ZINC000505881901 534163860 /nfs/dbraw/zinc/16/38/60/534163860.db2.gz VQKQYGYJERKZEI-GFCCVEGCSA-N 0 3 229.323 3.807 20 0 BHADHN C[C@H]1CCCCN1Cc1cc2ccccc2o1 ZINC000505881902 226360918 /nfs/dbraw/zinc/36/09/18/226360918.db2.gz VQKQYGYJERKZEI-LBPRGKRZSA-N 0 3 229.323 3.807 20 0 BHADHN CC(C)N(C)Cc1ccc(-c2ccccc2)o1 ZINC000505886517 528835047 /nfs/dbraw/zinc/83/50/47/528835047.db2.gz GYWXQYCCAGAEJP-UHFFFAOYSA-N 0 3 229.323 3.787 20 0 BHADHN Cc1cc(CN2CCCC[C@H]2C)ccc1F ZINC000505891298 533599113 /nfs/dbraw/zinc/59/91/13/533599113.db2.gz JXNXVHKKZATCBF-GFCCVEGCSA-N 0 3 221.319 3.509 20 0 BHADHN Cc1cc(CN2CCCC[C@@H]2C)ccc1F ZINC000505891299 533597964 /nfs/dbraw/zinc/59/79/64/533597964.db2.gz JXNXVHKKZATCBF-LBPRGKRZSA-N 0 3 221.319 3.509 20 0 BHADHN CC(C)N(C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000505891529 528834441 /nfs/dbraw/zinc/83/44/41/528834441.db2.gz MPCZTISXTFDUOD-UHFFFAOYSA-N 0 3 247.313 3.926 20 0 BHADHN CC(C)N(C)Cc1ccccc1OC1CCCC1 ZINC000505893341 528838139 /nfs/dbraw/zinc/83/81/39/528838139.db2.gz DRUVKTCPRCMQET-UHFFFAOYSA-N 0 3 247.382 3.848 20 0 BHADHN COc1ccccc1/C=C/CN1CCCC[C@H]1C ZINC000505895354 533948058 /nfs/dbraw/zinc/94/80/58/533948058.db2.gz WSCJEYWNWJOWHP-DNGMOHDESA-N 0 3 245.366 3.583 20 0 BHADHN COc1ccccc1/C=C\CN1CCCC[C@H]1C ZINC000505895356 533958806 /nfs/dbraw/zinc/95/88/06/533958806.db2.gz WSCJEYWNWJOWHP-JKEYDSJLSA-N 0 3 245.366 3.583 20 0 BHADHN COc1ccccc1/C=C/CN1CCCC[C@@H]1C ZINC000505895358 533947345 /nfs/dbraw/zinc/94/73/45/533947345.db2.gz WSCJEYWNWJOWHP-RNVIBTMRSA-N 0 3 245.366 3.583 20 0 BHADHN COc1ccccc1/C=C\CN1CCCC[C@@H]1C ZINC000505895359 533957995 /nfs/dbraw/zinc/95/79/95/533957995.db2.gz WSCJEYWNWJOWHP-YHAOYDPOSA-N 0 3 245.366 3.583 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCCC[C@H]2C)o1 ZINC000505897680 533744594 /nfs/dbraw/zinc/74/45/94/533744594.db2.gz HSLNKJAKXNAIOY-BZPMIXESSA-N 0 3 233.355 3.777 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCCC[C@@H]2C)o1 ZINC000505897681 533745472 /nfs/dbraw/zinc/74/54/72/533745472.db2.gz HSLNKJAKXNAIOY-DYEKYZERSA-N 0 3 233.355 3.777 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CCCC[C@@H]2C)o1 ZINC000505897682 534050491 /nfs/dbraw/zinc/05/04/91/534050491.db2.gz HSLNKJAKXNAIOY-MBNYWOFBSA-N 0 3 233.355 3.777 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CCCC[C@H]2C)o1 ZINC000505897683 534049574 /nfs/dbraw/zinc/04/95/74/534049574.db2.gz HSLNKJAKXNAIOY-YRGRVCCFSA-N 0 3 233.355 3.777 20 0 BHADHN CCCCN(CC)Cc1cc(F)cc(F)c1 ZINC000505902421 528394035 /nfs/dbraw/zinc/39/40/35/528394035.db2.gz FTYZUEFGIDNCGP-UHFFFAOYSA-N 0 3 227.298 3.587 20 0 BHADHN C[C@H]1CCCCN1C/C=C\c1ccc(F)cc1 ZINC000505902902 226361325 /nfs/dbraw/zinc/36/13/25/226361325.db2.gz LNFLFTSNQYFJAG-AGLBCWCQSA-N 0 3 233.330 3.713 20 0 BHADHN C[C@H]1CCCCN1C/C=C/c1ccc(F)cc1 ZINC000505902903 226361558 /nfs/dbraw/zinc/36/15/58/226361558.db2.gz LNFLFTSNQYFJAG-BPJJOFIESA-N 0 3 233.330 3.713 20 0 BHADHN C[C@@H]1CCCCN1C/C=C/c1ccc(F)cc1 ZINC000505902904 226361478 /nfs/dbraw/zinc/36/14/78/226361478.db2.gz LNFLFTSNQYFJAG-DIECRNLCSA-N 0 3 233.330 3.713 20 0 BHADHN C[C@@H]1CCCCN1C/C=C\c1ccc(F)cc1 ZINC000505902905 226361402 /nfs/dbraw/zinc/36/14/02/226361402.db2.gz LNFLFTSNQYFJAG-RYWCDNDXSA-N 0 3 233.330 3.713 20 0 BHADHN CCCCN(C)Cc1ccc(F)c(Cl)c1 ZINC000505903627 528360057 /nfs/dbraw/zinc/36/00/57/528360057.db2.gz UAFMDIWUOBBMLL-UHFFFAOYSA-N 0 3 229.726 3.711 20 0 BHADHN CCCCN(CC)Cc1ccc(Cl)o1 ZINC000505904060 528395378 /nfs/dbraw/zinc/39/53/78/528395378.db2.gz YURXDRIEFAFSKA-UHFFFAOYSA-N 0 3 215.724 3.555 20 0 BHADHN CC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000505906469 528255851 /nfs/dbraw/zinc/25/58/51/528255851.db2.gz AJWZDYQYZVUODU-UHFFFAOYSA-N 0 3 247.313 3.804 20 0 BHADHN CCCCN(CC)Cc1cccc(F)c1F ZINC000505906663 528394402 /nfs/dbraw/zinc/39/44/02/528394402.db2.gz DWEOLGPCVWQXQE-UHFFFAOYSA-N 0 3 227.298 3.587 20 0 BHADHN CCCCCN(CCCCC)Cc1cnc[nH]1 ZINC000505913739 528168705 /nfs/dbraw/zinc/16/87/05/528168705.db2.gz WMIGLYFLQWVBQA-UHFFFAOYSA-N 0 3 237.391 3.592 20 0 BHADHN CCCCCN(CCCCC)Cc1c[nH]cn1 ZINC000505913739 528168699 /nfs/dbraw/zinc/16/86/99/528168699.db2.gz WMIGLYFLQWVBQA-UHFFFAOYSA-N 0 3 237.391 3.592 20 0 BHADHN Cc1cc(C)cc(CN(C)Cc2ccsc2)c1 ZINC000506013525 226362261 /nfs/dbraw/zinc/36/22/61/226362261.db2.gz XICFNPKTHQBCIX-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN Cc1ccc(CN(C)Cc2ccsc2)cc1C ZINC000506027881 533878765 /nfs/dbraw/zinc/87/87/65/533878765.db2.gz VLNYZIFDZXZXGP-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN Cc1cccc(CN(C)Cc2ccsc2)c1C ZINC000506046149 226362437 /nfs/dbraw/zinc/36/24/37/226362437.db2.gz RETFFYJIAZSWQD-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CC[C@@H](CN(C)Cc1ccco1)c1ccccc1 ZINC000506088526 529472037 /nfs/dbraw/zinc/47/20/37/529472037.db2.gz WHFJSVYYKDZYDJ-AWEZNQCLSA-N 0 3 243.350 3.905 20 0 BHADHN CC[C@H](CN(C)Cc1ccco1)c1ccccc1 ZINC000506088527 529332973 /nfs/dbraw/zinc/33/29/73/529332973.db2.gz WHFJSVYYKDZYDJ-CQSZACIVSA-N 0 3 243.350 3.905 20 0 BHADHN CN(Cc1ccco1)CC1CCCCCC1 ZINC000506114553 530008540 /nfs/dbraw/zinc/00/85/40/530008540.db2.gz BIGSIKRORARTTB-UHFFFAOYSA-N 0 3 221.344 3.682 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN(C)CC(C)(C)C)o1 ZINC000506151754 226362696 /nfs/dbraw/zinc/36/26/96/226362696.db2.gz SPZOSPUHSSNQMR-AAEUAGOBSA-N 0 3 235.371 3.881 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN(C)CC(C)(C)C)o1 ZINC000506151755 534050036 /nfs/dbraw/zinc/05/00/36/534050036.db2.gz SPZOSPUHSSNQMR-DGCLKSJQSA-N 0 3 235.371 3.881 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN(C)CC(C)(C)C)o1 ZINC000506151756 226362774 /nfs/dbraw/zinc/36/27/74/226362774.db2.gz SPZOSPUHSSNQMR-WCQYABFASA-N 0 3 235.371 3.881 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN(C)CC(C)(C)C)o1 ZINC000506151757 226362591 /nfs/dbraw/zinc/36/25/91/226362591.db2.gz SPZOSPUHSSNQMR-YPMHNXCESA-N 0 3 235.371 3.881 20 0 BHADHN C[C@@H]1CCC[C@@H](N(C)Cc2ccc(Cl)o2)C1 ZINC000506179901 533761640 /nfs/dbraw/zinc/76/16/40/533761640.db2.gz QKIOGPDOEQKXPH-GHMZBOCLSA-N 0 3 241.762 3.944 20 0 BHADHN C[C@@H]1CCC[C@H](N(C)Cc2ccc(Cl)o2)C1 ZINC000506179903 226362656 /nfs/dbraw/zinc/36/26/56/226362656.db2.gz QKIOGPDOEQKXPH-MNOVXSKESA-N 0 3 241.762 3.944 20 0 BHADHN C[C@H]1CCC[C@H](N(C)Cc2ccc(Cl)o2)C1 ZINC000506179904 226362724 /nfs/dbraw/zinc/36/27/24/226362724.db2.gz QKIOGPDOEQKXPH-QWRGUYRKSA-N 0 3 241.762 3.944 20 0 BHADHN C[C@H]1CCC[C@@H](N(C)Cc2ccc(Cl)o2)C1 ZINC000506179906 226362644 /nfs/dbraw/zinc/36/26/44/226362644.db2.gz QKIOGPDOEQKXPH-WDEREUQCSA-N 0 3 241.762 3.944 20 0 BHADHN CC(C)CCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000506181002 527709414 /nfs/dbraw/zinc/70/94/14/527709414.db2.gz YISNGFXRERQFNX-UHFFFAOYSA-N 0 3 245.288 3.582 20 0 BHADHN CN(Cc1cccc(Cl)c1F)C1CCCC1 ZINC000506259321 529994191 /nfs/dbraw/zinc/99/41/91/529994191.db2.gz PKVOLWRBOAMNAB-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN Cc1ccc(F)c(CN(C)C2CCCC2)c1 ZINC000506270835 226362869 /nfs/dbraw/zinc/36/28/69/226362869.db2.gz VERFJPOENNMJRV-UHFFFAOYSA-N 0 3 221.319 3.509 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN(C)C2CCCC2)o1 ZINC000506312364 534050374 /nfs/dbraw/zinc/05/03/74/534050374.db2.gz ZFJDAXVWMDVDJK-BXUZGUMPSA-N 0 3 233.355 3.777 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN(C)C2CCCC2)o1 ZINC000506312365 226363286 /nfs/dbraw/zinc/36/32/86/226363286.db2.gz ZFJDAXVWMDVDJK-FZMZJTMJSA-N 0 3 233.355 3.777 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN(C)C2CCCC2)o1 ZINC000506312367 226363328 /nfs/dbraw/zinc/36/33/28/226363328.db2.gz ZFJDAXVWMDVDJK-RISCZKNCSA-N 0 3 233.355 3.777 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN(C)C2CCCC2)o1 ZINC000506312368 226363495 /nfs/dbraw/zinc/36/34/95/226363495.db2.gz ZFJDAXVWMDVDJK-SMDDNHRTSA-N 0 3 233.355 3.777 20 0 BHADHN CN(Cc1cc(Cl)ccc1F)C1CCCC1 ZINC000506313137 529977924 /nfs/dbraw/zinc/97/79/24/529977924.db2.gz UAOMKXRWFQVWRN-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CCN(Cc1cccn1CCC(C)C)C(C)C ZINC000506328375 528849747 /nfs/dbraw/zinc/84/97/47/528849747.db2.gz XLHOZAVUSVXXNN-UHFFFAOYSA-N 0 3 236.403 3.765 20 0 BHADHN CCN(C)Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000506340444 527840765 /nfs/dbraw/zinc/84/07/65/527840765.db2.gz LWYQMIHUKMLTOV-UHFFFAOYSA-N 0 3 247.313 3.846 20 0 BHADHN Cc1ccoc1CN(C)CC1CCCCC1 ZINC000506340955 226363380 /nfs/dbraw/zinc/36/33/80/226363380.db2.gz OFXAJBWZYGJZHA-UHFFFAOYSA-N 0 3 221.344 3.600 20 0 BHADHN CCN(Cc1cccc2c1OC(C)(C)C2)C(C)C ZINC000506343569 528815911 /nfs/dbraw/zinc/81/59/11/528815911.db2.gz ZYBPGCNPIFSYCK-UHFFFAOYSA-N 0 3 247.382 3.630 20 0 BHADHN CCN(C)Cc1ccc(-c2ccccc2)s1 ZINC000506344016 527840473 /nfs/dbraw/zinc/84/04/73/527840473.db2.gz WRBUXXVYNICKHD-UHFFFAOYSA-N 0 3 231.364 3.867 20 0 BHADHN CCN(Cc1cc(Cl)ccc1F)C(C)C ZINC000506368775 528767120 /nfs/dbraw/zinc/76/71/20/528767120.db2.gz KEGMUEWOIYRLHH-UHFFFAOYSA-N 0 3 229.726 3.709 20 0 BHADHN CCN(C)Cc1ccc(-c2ccc(C)cc2)o1 ZINC000506369339 527839728 /nfs/dbraw/zinc/83/97/28/527839728.db2.gz MHZIXVPMKVOISO-UHFFFAOYSA-N 0 3 229.323 3.707 20 0 BHADHN CCN(Cc1ccccc1OCC1CC1)C(C)C ZINC000506369630 528842111 /nfs/dbraw/zinc/84/21/11/528842111.db2.gz NKHZUOHBCJJCFC-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN CCN(C)Cc1cc(-c2ccccc2)cs1 ZINC000506370607 527841421 /nfs/dbraw/zinc/84/14/21/527841421.db2.gz RDYXTOAKVODVLG-UHFFFAOYSA-N 0 3 231.364 3.867 20 0 BHADHN CCN(C)Cc1ccc(-c2cccc(F)c2C)o1 ZINC000506370931 527839569 /nfs/dbraw/zinc/83/95/69/527839569.db2.gz QZEWUXBBWFZNOF-UHFFFAOYSA-N 0 3 247.313 3.846 20 0 BHADHN C[C@H](CSc1cc(Cl)ccc1F)N(C)C ZINC000506378076 226363780 /nfs/dbraw/zinc/36/37/80/226363780.db2.gz CLRDHWKIKJKDGN-MRVPVSSYSA-N 0 3 247.766 3.521 20 0 BHADHN C[C@@H](CSc1cc(Cl)ccc1F)N(C)C ZINC000506378077 534193417 /nfs/dbraw/zinc/19/34/17/534193417.db2.gz CLRDHWKIKJKDGN-QMMMGPOBSA-N 0 3 247.766 3.521 20 0 BHADHN CCN(Cc1cccc(Cl)c1F)C(C)C ZINC000506378654 528805664 /nfs/dbraw/zinc/80/56/64/528805664.db2.gz DAQYERGROKPIOW-UHFFFAOYSA-N 0 3 229.726 3.709 20 0 BHADHN CCc1ccc(CN(C)CCc2ccccc2)o1 ZINC000506382627 529635019 /nfs/dbraw/zinc/63/50/19/529635019.db2.gz RONXOFIAWGQMON-UHFFFAOYSA-N 0 3 243.350 3.517 20 0 BHADHN CN(CCc1ccccc1)Cc1ccc(Cl)o1 ZINC000506383604 529934555 /nfs/dbraw/zinc/93/45/55/529934555.db2.gz UOTDHHPUIQCKBG-UHFFFAOYSA-N 0 3 249.741 3.608 20 0 BHADHN Cc1ccc(CN(Cc2ccco2)C(C)C)cc1 ZINC000506396331 533907614 /nfs/dbraw/zinc/90/76/14/533907614.db2.gz KRTJAYUNAVFIKM-UHFFFAOYSA-N 0 3 243.350 3.999 20 0 BHADHN CCCN(C)Cc1ccc(-c2ccccc2F)o1 ZINC000506415689 527853606 /nfs/dbraw/zinc/85/36/06/527853606.db2.gz KRPSWGGFBTYUGW-UHFFFAOYSA-N 0 3 247.313 3.928 20 0 BHADHN CC(C)CN(C)Cc1cc(Cl)ccc1F ZINC000506416277 527914676 /nfs/dbraw/zinc/91/46/76/527914676.db2.gz MNUANYOQNQCAEL-UHFFFAOYSA-N 0 3 229.726 3.567 20 0 BHADHN CCCN(C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000506417958 527850560 /nfs/dbraw/zinc/85/05/60/527850560.db2.gz SYXUVNBEIWDYOC-UHFFFAOYSA-N 0 3 249.251 3.686 20 0 BHADHN CC(C)CN(C)Cc1ccccc1OCC1CC1 ZINC000506418607 527914716 /nfs/dbraw/zinc/91/47/16/527914716.db2.gz YDAUHZSEGHFIQP-UHFFFAOYSA-N 0 3 247.382 3.563 20 0 BHADHN CC(C)CN(C)Cc1cccc(Cl)c1F ZINC000506431709 527915105 /nfs/dbraw/zinc/91/51/05/527915105.db2.gz JGCFICKSWIUBMI-UHFFFAOYSA-N 0 3 229.726 3.567 20 0 BHADHN CCCN(C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000506442909 527852816 /nfs/dbraw/zinc/85/28/16/527852816.db2.gz IQZCOXTVXDFUKP-UHFFFAOYSA-N 0 3 247.313 3.928 20 0 BHADHN CCCN(C)Cc1ccc(-c2ccccc2)o1 ZINC000506446215 527854494 /nfs/dbraw/zinc/85/44/94/527854494.db2.gz WSQZGIJKDGGKLT-UHFFFAOYSA-N 0 3 229.323 3.788 20 0 BHADHN CC(C)CCn1cccc1CN(C)CC(C)C ZINC000506447225 527887256 /nfs/dbraw/zinc/88/72/56/527887256.db2.gz YCZGVPMCMBYUFL-UHFFFAOYSA-N 0 3 236.403 3.622 20 0 BHADHN CCCN(C)Cc1ccc(F)cc1C(F)(F)F ZINC000506459754 527854103 /nfs/dbraw/zinc/85/41/03/527854103.db2.gz NVWBXJOYWRWTCR-UHFFFAOYSA-N 0 3 249.251 3.686 20 0 BHADHN CCCN(C)Cc1ccccc1OC1CCCC1 ZINC000506460483 527853992 /nfs/dbraw/zinc/85/39/92/527853992.db2.gz USJHXRXYQALERH-UHFFFAOYSA-N 0 3 247.382 3.850 20 0 BHADHN CCCN(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000506494830 527853090 /nfs/dbraw/zinc/85/30/90/527853090.db2.gz ILNLCYXSKGZXAF-UHFFFAOYSA-N 0 3 249.251 3.686 20 0 BHADHN CCCN(C)Cc1c(Cl)oc2ccccc21 ZINC000506495051 527851012 /nfs/dbraw/zinc/85/10/12/527851012.db2.gz IPQRAOXMUTZBCV-UHFFFAOYSA-N 0 3 237.730 3.928 20 0 BHADHN CC(C)CCN(Cc1ccc(Cl)o1)C1CC1 ZINC000506583071 538753124 /nfs/dbraw/zinc/75/31/24/538753124.db2.gz FBFJGWYDZQQFCH-UHFFFAOYSA-N 0 3 241.762 3.944 20 0 BHADHN CN(Cc1cccc(Cl)c1Cl)CC1CC1 ZINC000506761512 529994308 /nfs/dbraw/zinc/99/43/08/529994308.db2.gz YRINMIROSHNXIY-UHFFFAOYSA-N 0 3 244.165 3.835 20 0 BHADHN CCCCN(CCCC)Cc1conc1CC ZINC000506865233 528404865 /nfs/dbraw/zinc/40/48/65/528404865.db2.gz MAPKNWVBSYXVDV-UHFFFAOYSA-N 0 3 238.375 3.639 20 0 BHADHN CCC[C@@H](C)N(C)Cc1ccc(Cl)o1 ZINC000507019123 528888606 /nfs/dbraw/zinc/88/86/06/528888606.db2.gz DVFINROYFBJORF-SECBINFHSA-N 0 3 215.724 3.553 20 0 BHADHN CCC[C@H](C)N(C)Cc1ccc(Cl)o1 ZINC000507019125 528046819 /nfs/dbraw/zinc/04/68/19/528046819.db2.gz DVFINROYFBJORF-VIFPVBQESA-N 0 3 215.724 3.553 20 0 BHADHN CCN(Cc1ccc(C)o1)Cc1ccccc1C ZINC000507109196 528777518 /nfs/dbraw/zinc/77/75/18/528777518.db2.gz BUTKPGJFTGYJLG-UHFFFAOYSA-N 0 3 243.350 3.919 20 0 BHADHN CCN(CCc1ccccc1)Cc1occc1C ZINC000507111232 528591955 /nfs/dbraw/zinc/59/19/55/528591955.db2.gz OKMSBVHHQKNJSK-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN CCN(Cc1occc1C)Cc1cccc(C)c1 ZINC000507111299 528918159 /nfs/dbraw/zinc/91/81/59/528918159.db2.gz PBRYHGAKKHOFSD-UHFFFAOYSA-N 0 3 243.350 3.919 20 0 BHADHN Cc1ccc(-c2ccc(CN(C)C3CC3)o2)cc1 ZINC000507111626 226365227 /nfs/dbraw/zinc/36/52/27/226365227.db2.gz QESUYNMPCGYHBX-UHFFFAOYSA-N 0 3 241.334 3.849 20 0 BHADHN CCc1oc2ccccc2c1CN(C)C1CC1 ZINC000507111631 226365364 /nfs/dbraw/zinc/36/53/64/226365364.db2.gz QGLBOILYFAEOPJ-UHFFFAOYSA-N 0 3 229.323 3.589 20 0 BHADHN c1cc(C2CCC2)ccc1CN1CCSCC1 ZINC000507113110 226365254 /nfs/dbraw/zinc/36/52/54/226365254.db2.gz ZQKXQGRQILBFHA-UHFFFAOYSA-N 0 3 247.407 3.503 20 0 BHADHN Cc1sccc1CN(C)CCc1ccccc1 ZINC000507117200 226365375 /nfs/dbraw/zinc/36/53/75/226365375.db2.gz USFOVYMPZKRABT-UHFFFAOYSA-N 0 3 245.391 3.731 20 0 BHADHN Cc1cc(Cl)cc(C)c1CN(C)C1CC1 ZINC000507117229 533769456 /nfs/dbraw/zinc/76/94/56/533769456.db2.gz UZYOSECVWJMCPC-UHFFFAOYSA-N 0 3 223.747 3.551 20 0 BHADHN CC(C)[C@@H]1CCCN1Cc1cc(F)ccc1F ZINC000507118266 528674639 /nfs/dbraw/zinc/67/46/39/528674639.db2.gz BSMVIWLYJDJLTJ-AWEZNQCLSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)[C@H]1CCCN1Cc1cc(F)ccc1F ZINC000507118267 527785291 /nfs/dbraw/zinc/78/52/91/527785291.db2.gz BSMVIWLYJDJLTJ-CQSZACIVSA-N 0 3 239.309 3.585 20 0 BHADHN CCN(Cc1occc1C)Cc1ccccc1C ZINC000507118457 528917703 /nfs/dbraw/zinc/91/77/03/528917703.db2.gz CJMRRKZSRZBVKS-UHFFFAOYSA-N 0 3 243.350 3.919 20 0 BHADHN CC(C)CCOc1ccc(CN(C)C2CC2)cc1 ZINC000507131119 527776751 /nfs/dbraw/zinc/77/67/51/527776751.db2.gz CSUGNQDWNQCEHC-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN Cc1cc2cc(CN(C)C3CC3)oc2cc1C ZINC000507132194 534085170 /nfs/dbraw/zinc/08/51/70/534085170.db2.gz JGOJAXHUGGZSNY-UHFFFAOYSA-N 0 3 229.323 3.644 20 0 BHADHN CN(Cc1ccc(C(C)(C)C)s1)C1CC1 ZINC000507132994 529984181 /nfs/dbraw/zinc/98/41/81/529984181.db2.gz RGCMTXDCVJUELV-UHFFFAOYSA-N 0 3 223.385 3.640 20 0 BHADHN CN(Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000507133529 529982531 /nfs/dbraw/zinc/98/25/31/529982531.db2.gz ZYWZOSFDISYXMX-UHFFFAOYSA-N 0 3 237.346 3.948 20 0 BHADHN CC(C)[C@@H]1CCCN1Cc1ccc(F)cc1F ZINC000507133902 528674962 /nfs/dbraw/zinc/67/49/62/528674962.db2.gz HHAOXJYWWKYJDK-AWEZNQCLSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)[C@H]1CCCN1Cc1ccc(F)cc1F ZINC000507133903 527784458 /nfs/dbraw/zinc/78/44/58/527784458.db2.gz HHAOXJYWWKYJDK-CQSZACIVSA-N 0 3 239.309 3.585 20 0 BHADHN CN(Cc1ccc(-c2ccccc2F)o1)C1CC1 ZINC000507134325 529982448 /nfs/dbraw/zinc/98/24/48/529982448.db2.gz LJOSGVFKOJHCIL-UHFFFAOYSA-N 0 3 245.297 3.680 20 0 BHADHN CCN(Cc1ccccc1Cl)CC1CC1 ZINC000507134441 528838803 /nfs/dbraw/zinc/83/88/03/528838803.db2.gz LQWVAEGWGOVJEQ-UHFFFAOYSA-N 0 3 223.747 3.572 20 0 BHADHN CCN(Cc1cc(F)c(F)c(F)c1)CC(C)C ZINC000507134445 528766716 /nfs/dbraw/zinc/76/67/16/528766716.db2.gz LTSWDWHIMOBRMT-UHFFFAOYSA-N 0 3 245.288 3.582 20 0 BHADHN CC(C)C[C@H]1CCCN1Cc1ccc(Cl)o1 ZINC000507135946 528590797 /nfs/dbraw/zinc/59/07/97/528590797.db2.gz VQUKGUOQSPFIBL-LLVKDONJSA-N 0 3 241.762 3.944 20 0 BHADHN CC(C)C[C@@H]1CCCN1Cc1ccc(Cl)o1 ZINC000507135947 528380445 /nfs/dbraw/zinc/38/04/45/528380445.db2.gz VQUKGUOQSPFIBL-NSHDSACASA-N 0 3 241.762 3.944 20 0 BHADHN CC[C@@H](C)N(C)Cc1ccccc1OCC1CC1 ZINC000507144247 529345110 /nfs/dbraw/zinc/34/51/10/529345110.db2.gz PTSXUBUELQPWJJ-CYBMUJFWSA-N 0 3 247.382 3.706 20 0 BHADHN CC[C@H](C)N(C)Cc1ccccc1OCC1CC1 ZINC000507144248 529691404 /nfs/dbraw/zinc/69/14/04/529691404.db2.gz PTSXUBUELQPWJJ-ZDUSSCGKSA-N 0 3 247.382 3.706 20 0 BHADHN Cc1cccc([C@@H]2CCCN2Cc2ccco2)c1 ZINC000507144554 226366420 /nfs/dbraw/zinc/36/64/20/226366420.db2.gz PMTKMFMDKDUWGQ-INIZCTEOSA-N 0 3 241.334 3.925 20 0 BHADHN Cc1cccc([C@H]2CCCN2Cc2ccco2)c1 ZINC000507144555 534764675 /nfs/dbraw/zinc/76/46/75/534764675.db2.gz PMTKMFMDKDUWGQ-MRXNPFEDSA-N 0 3 241.334 3.925 20 0 BHADHN CCN(Cc1occc1C)Cc1ccc(C)cc1 ZINC000507144576 528917730 /nfs/dbraw/zinc/91/77/30/528917730.db2.gz QSZMGZUPXDJFLR-UHFFFAOYSA-N 0 3 243.350 3.919 20 0 BHADHN CC(C)[C@@H]1CCCN1Cc1c(F)cccc1F ZINC000507147162 528673818 /nfs/dbraw/zinc/67/38/18/528673818.db2.gz XIUQQJWBTPZKOE-AWEZNQCLSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)[C@H]1CCCN1Cc1c(F)cccc1F ZINC000507147163 527783988 /nfs/dbraw/zinc/78/39/88/527783988.db2.gz XIUQQJWBTPZKOE-CQSZACIVSA-N 0 3 239.309 3.585 20 0 BHADHN Cc1ccoc1CN(C)CCCc1ccccc1 ZINC000507153177 226366417 /nfs/dbraw/zinc/36/64/17/226366417.db2.gz AIZOCNAZTYTMMA-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN CC[C@H](C)N(C)Cc1cccn1CCC(C)C ZINC000507158769 529690950 /nfs/dbraw/zinc/69/09/50/529690950.db2.gz FMTNFKQEYQKNIS-AWEZNQCLSA-N 0 3 236.403 3.765 20 0 BHADHN CC[C@@H](C)N(C)Cc1cccn1CCC(C)C ZINC000507158770 529345200 /nfs/dbraw/zinc/34/52/00/529345200.db2.gz FMTNFKQEYQKNIS-CQSZACIVSA-N 0 3 236.403 3.765 20 0 BHADHN CC[C@H](C)N(C)Cc1ccc(OC)cc1Cl ZINC000507159072 529691392 /nfs/dbraw/zinc/69/13/92/529691392.db2.gz GYDUBTYOPPBQQH-JTQLQIEISA-N 0 3 241.762 3.579 20 0 BHADHN CC[C@@H](C)N(C)Cc1ccc(OC)cc1Cl ZINC000507159073 529345239 /nfs/dbraw/zinc/34/52/39/529345239.db2.gz GYDUBTYOPPBQQH-SNVBAGLBSA-N 0 3 241.762 3.579 20 0 BHADHN CC[C@@H](C)N(C)Cc1cccc(Cl)c1F ZINC000507159857 529344715 /nfs/dbraw/zinc/34/47/15/529344715.db2.gz JHULRJSQNSCRLJ-SECBINFHSA-N 0 3 229.726 3.709 20 0 BHADHN CC[C@H](C)N(C)Cc1cccc(Cl)c1F ZINC000507159858 529691389 /nfs/dbraw/zinc/69/13/89/529691389.db2.gz JHULRJSQNSCRLJ-VIFPVBQESA-N 0 3 229.726 3.709 20 0 BHADHN CC[C@@H](C)N(C)Cc1cccc2c1OC(C)(C)C2 ZINC000507161405 529345039 /nfs/dbraw/zinc/34/50/39/529345039.db2.gz QIKUJFONZDLRAQ-GFCCVEGCSA-N 0 3 247.382 3.630 20 0 BHADHN CC[C@H](C)N(C)Cc1cccc2c1OC(C)(C)C2 ZINC000507161407 529691537 /nfs/dbraw/zinc/69/15/37/529691537.db2.gz QIKUJFONZDLRAQ-LBPRGKRZSA-N 0 3 247.382 3.630 20 0 BHADHN CC[C@H](C)N(C)Cc1cnc(C2CCC2)s1 ZINC000507162062 529691178 /nfs/dbraw/zinc/69/11/78/529691178.db2.gz UCEKMCRHVMWFTH-JTQLQIEISA-N 0 3 238.400 3.641 20 0 BHADHN CC[C@@H](C)N(C)Cc1cnc(C2CCC2)s1 ZINC000507162063 529345173 /nfs/dbraw/zinc/34/51/73/529345173.db2.gz UCEKMCRHVMWFTH-SNVBAGLBSA-N 0 3 238.400 3.641 20 0 BHADHN CCN(Cc1cc(F)c(F)cc1F)CC(C)C ZINC000507162117 528766217 /nfs/dbraw/zinc/76/62/17/528766217.db2.gz UUMSVLOUMCVTTD-UHFFFAOYSA-N 0 3 245.288 3.582 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1CC[C@@H](C)C1 ZINC000507163496 226366509 /nfs/dbraw/zinc/36/65/09/226366509.db2.gz GQNXQDJBIXAANI-GHMZBOCLSA-N 0 3 223.747 3.743 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](C)C1 ZINC000507163497 226366099 /nfs/dbraw/zinc/36/60/99/226366099.db2.gz GQNXQDJBIXAANI-MNOVXSKESA-N 0 3 223.747 3.743 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)N1CC[C@H](C)C1 ZINC000507163498 226366504 /nfs/dbraw/zinc/36/65/04/226366504.db2.gz GQNXQDJBIXAANI-QWRGUYRKSA-N 0 3 223.747 3.743 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1CC[C@H](C)C1 ZINC000507163499 226366096 /nfs/dbraw/zinc/36/60/96/226366096.db2.gz GQNXQDJBIXAANI-WDEREUQCSA-N 0 3 223.747 3.743 20 0 BHADHN CCN(CCc1ccccc1)Cc1ccc(C)o1 ZINC000507171423 528591485 /nfs/dbraw/zinc/59/14/85/528591485.db2.gz VBWSDTIQWUTZFN-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN Clc1ccc([C@@H]2CCCN2CC2CC2)cc1 ZINC000507171995 226366669 /nfs/dbraw/zinc/36/66/69/226366669.db2.gz YLEVHTVUNOOTQN-AWEZNQCLSA-N 0 3 235.758 3.887 20 0 BHADHN Clc1ccc([C@H]2CCCN2CC2CC2)cc1 ZINC000507171996 226366747 /nfs/dbraw/zinc/36/67/47/226366747.db2.gz YLEVHTVUNOOTQN-CQSZACIVSA-N 0 3 235.758 3.887 20 0 BHADHN Cc1nocc1CN(C1CC1)C1CCC(C)CC1 ZINC000507172196 226366878 /nfs/dbraw/zinc/36/68/78/226366878.db2.gz ZNPABBLWIKDLCB-UHFFFAOYSA-N 0 3 248.370 3.526 20 0 BHADHN Clc1ccccc1[C@@H]1CCCN1CC1CC1 ZINC000507176131 534653581 /nfs/dbraw/zinc/65/35/81/534653581.db2.gz XLVYJTUNPGBUHU-AWEZNQCLSA-N 0 3 235.758 3.887 20 0 BHADHN Clc1ccccc1[C@H]1CCCN1CC1CC1 ZINC000507176132 534654197 /nfs/dbraw/zinc/65/41/97/534654197.db2.gz XLVYJTUNPGBUHU-CQSZACIVSA-N 0 3 235.758 3.887 20 0 BHADHN Cc1sccc1CN(C)Cc1cccc(C)c1 ZINC000507186510 226366768 /nfs/dbraw/zinc/36/67/68/226366768.db2.gz FRKUAOXZEGLVQQ-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CC(C)[C@H]1CCCN1Cc1ccc(Cl)o1 ZINC000507187197 527784700 /nfs/dbraw/zinc/78/47/00/527784700.db2.gz JENPJEDDNCIFMW-LLVKDONJSA-N 0 3 227.735 3.553 20 0 BHADHN CC(C)[C@@H]1CCCN1Cc1ccc(Cl)o1 ZINC000507187199 528674767 /nfs/dbraw/zinc/67/47/67/528674767.db2.gz JENPJEDDNCIFMW-NSHDSACASA-N 0 3 227.735 3.553 20 0 BHADHN CC(C)[C@H]1CCCN1Cc1cccc(F)c1F ZINC000507188569 527785068 /nfs/dbraw/zinc/78/50/68/527785068.db2.gz QFYPCHXELBUMBU-CYBMUJFWSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)[C@@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000507189976 528674239 /nfs/dbraw/zinc/67/42/39/528674239.db2.gz XOUKANLYJJWABU-AWEZNQCLSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)[C@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000507189977 527784031 /nfs/dbraw/zinc/78/40/31/527784031.db2.gz XOUKANLYJJWABU-CQSZACIVSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)[C@@H](C)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000507191834 528406574 /nfs/dbraw/zinc/40/65/74/528406574.db2.gz PPXWSIUFIVIIMZ-SECBINFHSA-N 0 3 245.288 3.580 20 0 BHADHN CC(C)[C@H](C)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000507191835 528959971 /nfs/dbraw/zinc/95/99/71/528959971.db2.gz PPXWSIUFIVIIMZ-VIFPVBQESA-N 0 3 245.288 3.580 20 0 BHADHN Cc1ccc([C@H](C)N(C)Cc2ccccn2)cc1 ZINC000507194356 226367206 /nfs/dbraw/zinc/36/72/06/226367206.db2.gz XKFAASIQXDYZNT-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1ccc([C@@H](C)N(C)Cc2ccccn2)cc1 ZINC000507194357 226367035 /nfs/dbraw/zinc/36/70/35/226367035.db2.gz XKFAASIQXDYZNT-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN CCC1(C)CCN(Cc2ccccc2F)CC1 ZINC000507197390 529022929 /nfs/dbraw/zinc/02/29/29/529022929.db2.gz QDGPKAURBJNNOX-UHFFFAOYSA-N 0 3 235.346 3.838 20 0 BHADHN CCC1(C)CCN(Cc2ccc(F)cc2)CC1 ZINC000507198371 529022329 /nfs/dbraw/zinc/02/23/29/529022329.db2.gz VYRKADJVRIDMIR-UHFFFAOYSA-N 0 3 235.346 3.838 20 0 BHADHN CCN(Cc1cc(C)cc(Cl)c1)C1CC1 ZINC000507207337 528764763 /nfs/dbraw/zinc/76/47/63/528764763.db2.gz BTMRRWFLOCCJFY-UHFFFAOYSA-N 0 3 223.747 3.633 20 0 BHADHN C[C@H](NCC1(C(F)(F)F)CC1)c1ccccc1 ZINC000507208078 226367075 /nfs/dbraw/zinc/36/70/75/226367075.db2.gz GAIVNMPKTIFYGJ-JTQLQIEISA-N 0 3 243.272 3.680 20 0 BHADHN C[C@@H](NCC1(C(F)(F)F)CC1)c1ccccc1 ZINC000507208080 226367247 /nfs/dbraw/zinc/36/72/47/226367247.db2.gz GAIVNMPKTIFYGJ-SNVBAGLBSA-N 0 3 243.272 3.680 20 0 BHADHN CCC1(C)CCN(Cc2cccc(F)c2)CC1 ZINC000507211824 529023688 /nfs/dbraw/zinc/02/36/88/529023688.db2.gz VEDLQWZTLRDHHZ-UHFFFAOYSA-N 0 3 235.346 3.838 20 0 BHADHN Cc1ccccc1[C@@H](C)N(C)Cc1ccoc1 ZINC000507212005 226367526 /nfs/dbraw/zinc/36/75/26/226367526.db2.gz NOAMOKIRKWCTPK-CYBMUJFWSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1ccccc1[C@H](C)N(C)Cc1ccoc1 ZINC000507212006 226367483 /nfs/dbraw/zinc/36/74/83/226367483.db2.gz NOAMOKIRKWCTPK-ZDUSSCGKSA-N 0 3 229.323 3.781 20 0 BHADHN C[C@@H](CCc1ccccc1)N(C)Cc1ccoc1 ZINC000507212024 533673580 /nfs/dbraw/zinc/67/35/80/533673580.db2.gz NOXJSMYSWFBMDU-AWEZNQCLSA-N 0 3 243.350 3.733 20 0 BHADHN C[C@H](CCc1ccccc1)N(C)Cc1ccoc1 ZINC000507212025 533993713 /nfs/dbraw/zinc/99/37/13/533993713.db2.gz NOXJSMYSWFBMDU-CQSZACIVSA-N 0 3 243.350 3.733 20 0 BHADHN CC(C)[C@@H](C)N(C)Cc1cc(F)c(F)cc1F ZINC000507213124 528406600 /nfs/dbraw/zinc/40/66/00/528406600.db2.gz PMOUJXMXYSDLCN-SECBINFHSA-N 0 3 245.288 3.580 20 0 BHADHN CC(C)[C@H](C)N(C)Cc1cc(F)c(F)cc1F ZINC000507213126 528958932 /nfs/dbraw/zinc/95/89/32/528958932.db2.gz PMOUJXMXYSDLCN-VIFPVBQESA-N 0 3 245.288 3.580 20 0 BHADHN CCN(Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000507221531 528767804 /nfs/dbraw/zinc/76/78/04/528767804.db2.gz KXVMRBGMVRTPTH-UHFFFAOYSA-N 0 3 233.286 3.556 20 0 BHADHN CCCN(Cc1ccc(Cl)s1)C1CC1 ZINC000507225430 528136687 /nfs/dbraw/zinc/13/66/87/528136687.db2.gz CZDZNGZYAMRZAI-UHFFFAOYSA-N 0 3 229.776 3.776 20 0 BHADHN Cc1ccc(F)c(CN(C)[C@H](C)C(C)C)c1 ZINC000507225503 226367692 /nfs/dbraw/zinc/36/76/92/226367692.db2.gz DIRAIRLZZPWAPP-GFCCVEGCSA-N 0 3 223.335 3.610 20 0 BHADHN Cc1ccc(F)c(CN(C)[C@@H](C)C(C)C)c1 ZINC000507225505 226367560 /nfs/dbraw/zinc/36/75/60/226367560.db2.gz DIRAIRLZZPWAPP-LBPRGKRZSA-N 0 3 223.335 3.610 20 0 BHADHN CCCN(Cc1ccccc1OC(C)C)C1CC1 ZINC000507227970 528148537 /nfs/dbraw/zinc/14/85/37/528148537.db2.gz JNWGVZITZBJEAX-UHFFFAOYSA-N 0 3 247.382 3.848 20 0 BHADHN CCCCN(Cc1sccc1OC)C1CC1 ZINC000507228537 528447451 /nfs/dbraw/zinc/44/74/51/528447451.db2.gz GWZDBAJHELIVAZ-UHFFFAOYSA-N 0 3 239.384 3.521 20 0 BHADHN CCCN(Cc1cnc(C(C)C)s1)C1CC1 ZINC000507229074 528151332 /nfs/dbraw/zinc/15/13/32/528151332.db2.gz HPJZFOKSAHBYPC-UHFFFAOYSA-N 0 3 238.400 3.641 20 0 BHADHN CC(C)c1ncc(CN(C)[C@H](C)C(C)C)s1 ZINC000507232003 528346980 /nfs/dbraw/zinc/34/69/80/528346980.db2.gz NCTQUSDQXWYYNF-LLVKDONJSA-N 0 3 240.416 3.743 20 0 BHADHN CC(C)c1ncc(CN(C)[C@@H](C)C(C)C)s1 ZINC000507232004 528348251 /nfs/dbraw/zinc/34/82/51/528348251.db2.gz NCTQUSDQXWYYNF-NSHDSACASA-N 0 3 240.416 3.743 20 0 BHADHN CCN(Cc1ccc(-c2ccccc2)o1)C1CC1 ZINC000507233347 528770507 /nfs/dbraw/zinc/77/05/07/528770507.db2.gz UTRRTNHKFHZFBX-UHFFFAOYSA-N 0 3 241.334 3.931 20 0 BHADHN CCCN(Cc1cccc(Cl)c1F)C1CC1 ZINC000507235348 528141438 /nfs/dbraw/zinc/14/14/38/528141438.db2.gz VCOWSULKVJZHEY-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CN(Cc1ccc(C2CCC2)cc1)C1CC1 ZINC000507235751 529984616 /nfs/dbraw/zinc/98/46/16/529984616.db2.gz VQQLJJOYDOUFCN-UHFFFAOYSA-N 0 3 215.340 3.548 20 0 BHADHN CCN(Cc1cccn1CCC(C)C)C1CC1 ZINC000507236716 528850237 /nfs/dbraw/zinc/85/02/37/528850237.db2.gz ZHCWHXDMVNXRES-UHFFFAOYSA-N 0 3 234.387 3.519 20 0 BHADHN CCCN(Cc1cc(C)ccc1F)C1CC1 ZINC000507236941 528130237 /nfs/dbraw/zinc/13/02/37/528130237.db2.gz ZSFPOBIJUPFUDF-UHFFFAOYSA-N 0 3 221.319 3.509 20 0 BHADHN CCCN(Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000507241935 528135816 /nfs/dbraw/zinc/13/58/16/528135816.db2.gz CFZRCHFKRXBUMQ-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CC[C@@H](c1ccccc1)N(C)Cc1ccoc1 ZINC000507242541 529256031 /nfs/dbraw/zinc/25/60/31/529256031.db2.gz GREJMIVGTMAFES-HNNXBMFYSA-N 0 3 229.323 3.863 20 0 BHADHN CC[C@H](c1ccccc1)N(C)Cc1ccoc1 ZINC000507242542 529180654 /nfs/dbraw/zinc/18/06/54/529180654.db2.gz GREJMIVGTMAFES-OAHLLOKOSA-N 0 3 229.323 3.863 20 0 BHADHN CCCCCN(Cc1conc1CC)C(C)C ZINC000507245012 528181200 /nfs/dbraw/zinc/18/12/00/528181200.db2.gz VQOYXIIFEJWGDP-UHFFFAOYSA-N 0 3 238.375 3.638 20 0 BHADHN CCCCN(Cc1ccc(CC)o1)C1CC1 ZINC000507245293 528441503 /nfs/dbraw/zinc/44/15/03/528441503.db2.gz YDFRMGCBLXCYNN-UHFFFAOYSA-N 0 3 221.344 3.607 20 0 BHADHN CCCN(Cc1cc(Cl)ccc1F)C1CC1 ZINC000507251790 528130182 /nfs/dbraw/zinc/13/01/82/528130182.db2.gz KDPCLUKNTHXNFN-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CCCN(Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000507252394 528136430 /nfs/dbraw/zinc/13/64/30/528136430.db2.gz NBDPJSRRNRAMKK-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CCCCN(Cc1cc(F)cc(F)c1)C1CC1 ZINC000507252775 528442117 /nfs/dbraw/zinc/44/21/17/528442117.db2.gz NZXOVOTUVJFXDK-UHFFFAOYSA-N 0 3 239.309 3.729 20 0 BHADHN CCCCN(Cc1ccc(Cl)o1)C1CC1 ZINC000507253886 528442306 /nfs/dbraw/zinc/44/23/06/528442306.db2.gz SMHZUCQEUQLBON-UHFFFAOYSA-N 0 3 227.735 3.698 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1ccc(F)cc1Cl ZINC000507439777 324170381 /nfs/dbraw/zinc/17/03/81/324170381.db2.gz FUEGXHVLTXKURA-SECBINFHSA-N 0 3 241.737 3.709 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1ccc(F)cc1Cl ZINC000507439779 324170243 /nfs/dbraw/zinc/17/02/43/324170243.db2.gz FUEGXHVLTXKURA-VIFPVBQESA-N 0 3 241.737 3.709 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1cc(Cl)ccc1F ZINC000507443653 388384330 /nfs/dbraw/zinc/38/43/30/388384330.db2.gz UCRZZTHCWGRTDE-SECBINFHSA-N 0 3 241.737 3.709 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1cc(Cl)ccc1F ZINC000507443655 388384274 /nfs/dbraw/zinc/38/42/74/388384274.db2.gz UCRZZTHCWGRTDE-VIFPVBQESA-N 0 3 241.737 3.709 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1cccc(Cl)c1F ZINC000507449701 388384553 /nfs/dbraw/zinc/38/45/53/388384553.db2.gz IIOZELJOJROGHI-SECBINFHSA-N 0 3 241.737 3.709 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1cccc(Cl)c1F ZINC000507449702 388384453 /nfs/dbraw/zinc/38/44/53/388384453.db2.gz IIOZELJOJROGHI-VIFPVBQESA-N 0 3 241.737 3.709 20 0 BHADHN CCc1cccnc1[C@@H](C)NCC1(C(C)C)CC1 ZINC000507473558 529621646 /nfs/dbraw/zinc/62/16/46/529621646.db2.gz VFPHJHJUAUTFOG-CYBMUJFWSA-N 0 3 246.398 3.731 20 0 BHADHN CCc1cccnc1[C@H](C)NCC1(C(C)C)CC1 ZINC000507473559 529623018 /nfs/dbraw/zinc/62/30/18/529623018.db2.gz VFPHJHJUAUTFOG-ZDUSSCGKSA-N 0 3 246.398 3.731 20 0 BHADHN CCCC1(CN[C@H](C)c2ncccc2CC)CC1 ZINC000507504579 528062704 /nfs/dbraw/zinc/06/27/04/528062704.db2.gz COUBJYYNIQGRFG-CYBMUJFWSA-N 0 3 246.398 3.875 20 0 BHADHN CCCC1(CN[C@@H](C)c2ncccc2CC)CC1 ZINC000507504581 528062725 /nfs/dbraw/zinc/06/27/25/528062725.db2.gz COUBJYYNIQGRFG-ZDUSSCGKSA-N 0 3 246.398 3.875 20 0 BHADHN CCc1cccnc1[C@@H](C)NCCCC(C)C ZINC000507506725 529622204 /nfs/dbraw/zinc/62/22/04/529622204.db2.gz HHKGRCWWGSAZCA-CYBMUJFWSA-N 0 3 234.387 3.731 20 0 BHADHN CCc1cccnc1[C@H](C)NCCCC(C)C ZINC000507506726 529623384 /nfs/dbraw/zinc/62/33/84/529623384.db2.gz HHKGRCWWGSAZCA-ZDUSSCGKSA-N 0 3 234.387 3.731 20 0 BHADHN CCc1cccnc1[C@@H](C)NCCC1CCCC1 ZINC000507508223 529622704 /nfs/dbraw/zinc/62/27/04/529622704.db2.gz IUHZIXNQVNVFAP-CYBMUJFWSA-N 0 3 246.398 3.875 20 0 BHADHN CCc1cccnc1[C@H](C)NCCC1CCCC1 ZINC000507508227 529623158 /nfs/dbraw/zinc/62/31/58/529623158.db2.gz IUHZIXNQVNVFAP-ZDUSSCGKSA-N 0 3 246.398 3.875 20 0 BHADHN CCN(CC)Cc1ccc(Oc2ccccc2)o1 ZINC000507609492 528192601 /nfs/dbraw/zinc/19/26/01/528192601.db2.gz ZLATXCSVKXZRPG-UHFFFAOYSA-N 0 3 245.322 3.914 20 0 BHADHN CCCN(C)Cc1ccc(Oc2ccccc2)o1 ZINC000507609686 527853157 /nfs/dbraw/zinc/85/31/57/527853157.db2.gz FLTGSNAXFJZVRI-UHFFFAOYSA-N 0 3 245.322 3.914 20 0 BHADHN CC(C)N(C)Cc1ccc(Oc2ccccc2)o1 ZINC000507619528 528834230 /nfs/dbraw/zinc/83/42/30/528834230.db2.gz KLZVLEVNLCKGBS-UHFFFAOYSA-N 0 3 245.322 3.912 20 0 BHADHN Cc1cc(CN2CCC[C@H]2C)ccc1Cl ZINC000507809030 226370895 /nfs/dbraw/zinc/37/08/95/226370895.db2.gz COXUGTACCMNPEA-LLVKDONJSA-N 0 3 223.747 3.633 20 0 BHADHN Cc1cc(CN2CCC[C@@H]2C)ccc1Cl ZINC000507809031 533606114 /nfs/dbraw/zinc/60/61/14/533606114.db2.gz COXUGTACCMNPEA-NSHDSACASA-N 0 3 223.747 3.633 20 0 BHADHN CCCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000507815171 528215039 /nfs/dbraw/zinc/21/50/39/528215039.db2.gz ZBFSEJVPRLXNKQ-CYBMUJFWSA-N 0 3 239.309 3.732 20 0 BHADHN CCCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000507815174 528216731 /nfs/dbraw/zinc/21/67/31/528216731.db2.gz ZBFSEJVPRLXNKQ-ZDUSSCGKSA-N 0 3 239.309 3.732 20 0 BHADHN CC(C)(C)CN[C@@H]1CCc2c1c(F)ccc2F ZINC000507817016 527689461 /nfs/dbraw/zinc/68/94/61/527689461.db2.gz ZRFPKQKFCSAJGH-GFCCVEGCSA-N 0 3 239.309 3.588 20 0 BHADHN CC(C)(C)CN[C@H]1CCc2c1c(F)ccc2F ZINC000507817017 527689397 /nfs/dbraw/zinc/68/93/97/527689397.db2.gz ZRFPKQKFCSAJGH-LBPRGKRZSA-N 0 3 239.309 3.588 20 0 BHADHN CCC(CC)N[C@@H]1CCc2c1c(F)ccc2F ZINC000507827560 528804710 /nfs/dbraw/zinc/80/47/10/528804710.db2.gz RHPGSOSLYQGTNR-CYBMUJFWSA-N 0 3 239.309 3.730 20 0 BHADHN CCC(CC)N[C@H]1CCc2c1c(F)ccc2F ZINC000507827562 528804772 /nfs/dbraw/zinc/80/47/72/528804772.db2.gz RHPGSOSLYQGTNR-ZDUSSCGKSA-N 0 3 239.309 3.730 20 0 BHADHN CC(C)CCN[C@@H]1CCc2c1c(F)ccc2F ZINC000507827564 527741570 /nfs/dbraw/zinc/74/15/70/527741570.db2.gz RHUBJIUUNZBCRC-CYBMUJFWSA-N 0 3 239.309 3.588 20 0 BHADHN CC(C)CCN[C@H]1CCc2c1c(F)ccc2F ZINC000507827569 527743597 /nfs/dbraw/zinc/74/35/97/527743597.db2.gz RHUBJIUUNZBCRC-ZDUSSCGKSA-N 0 3 239.309 3.588 20 0 BHADHN Cc1ccc(F)c(CN([C@H](C)C2CC2)C2CC2)c1 ZINC000507995275 226371515 /nfs/dbraw/zinc/37/15/15/226371515.db2.gz PTEOBCPXCPRGJP-GFCCVEGCSA-N 0 3 247.357 3.897 20 0 BHADHN Cc1ccc(F)c(CN([C@@H](C)C2CC2)C2CC2)c1 ZINC000507995276 226371624 /nfs/dbraw/zinc/37/16/24/226371624.db2.gz PTEOBCPXCPRGJP-LBPRGKRZSA-N 0 3 247.357 3.897 20 0 BHADHN CC(C)N(Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000507999245 528939853 /nfs/dbraw/zinc/93/98/53/528939853.db2.gz OKKWQDGIBGTFSX-UHFFFAOYSA-N 0 3 241.737 3.852 20 0 BHADHN CC(C)N(Cc1cc(Cl)ccc1F)C1CC1 ZINC000508024717 528936392 /nfs/dbraw/zinc/93/63/92/528936392.db2.gz DTILFTKMEGYWLD-UHFFFAOYSA-N 0 3 241.737 3.852 20 0 BHADHN CC(C)C[C@@H](C)N(C)Cc1ccccc1F ZINC000508028521 528258334 /nfs/dbraw/zinc/25/83/34/528258334.db2.gz QMUYVNQSPUSUNC-GFCCVEGCSA-N 0 3 223.335 3.692 20 0 BHADHN CC(C)C[C@H](C)N(C)Cc1ccccc1F ZINC000508028522 528467641 /nfs/dbraw/zinc/46/76/41/528467641.db2.gz QMUYVNQSPUSUNC-LBPRGKRZSA-N 0 3 223.335 3.692 20 0 BHADHN CC(C)N(Cc1cccc(Cl)c1F)C1CC1 ZINC000508041942 528943825 /nfs/dbraw/zinc/94/38/25/528943825.db2.gz NNJMHDKXVWZJFI-UHFFFAOYSA-N 0 3 241.737 3.852 20 0 BHADHN CC(C)N(Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000508043431 528939703 /nfs/dbraw/zinc/93/97/03/528939703.db2.gz WBBKHCDKJSHKPR-UHFFFAOYSA-N 0 3 241.737 3.852 20 0 BHADHN COc1ccccc1CN(C)[C@H](C)CC(C)C ZINC000508053956 534062212 /nfs/dbraw/zinc/06/22/12/534062212.db2.gz SDQALERTPOZEAA-CYBMUJFWSA-N 0 3 235.371 3.562 20 0 BHADHN COc1ccccc1CN(C)[C@@H](C)CC(C)C ZINC000508053957 534062503 /nfs/dbraw/zinc/06/25/03/534062503.db2.gz SDQALERTPOZEAA-ZDUSSCGKSA-N 0 3 235.371 3.562 20 0 BHADHN Cc1cc(Cl)cc(CN2CCC[C@H]2C)c1 ZINC000508492006 226373021 /nfs/dbraw/zinc/37/30/21/226373021.db2.gz UODLDGKZLQNYMN-LLVKDONJSA-N 0 3 223.747 3.633 20 0 BHADHN Cc1cc(Cl)cc(CN2CCC[C@@H]2C)c1 ZINC000508492016 226373063 /nfs/dbraw/zinc/37/30/63/226373063.db2.gz UODLDGKZLQNYMN-NSHDSACASA-N 0 3 223.747 3.633 20 0 BHADHN CCCN(Cc1ccc(F)cc1F)CC1CC1 ZINC000508590462 528139841 /nfs/dbraw/zinc/13/98/41/528139841.db2.gz WJMNTRNHOUZHFV-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN C/C(=C/c1ccccc1)CN1CCCSCC1 ZINC000508635638 527506711 /nfs/dbraw/zinc/50/67/11/527506711.db2.gz CHBVKAYZGKVIEV-OWBHPGMISA-N 0 3 247.407 3.529 20 0 BHADHN C/C(=C\c1ccccc1)CN1CCCSCC1 ZINC000508635645 527533037 /nfs/dbraw/zinc/53/30/37/527533037.db2.gz CHBVKAYZGKVIEV-WYMLVPIESA-N 0 3 247.407 3.529 20 0 BHADHN Cc1ccc(CN(C)Cc2ccccc2)c(C)c1 ZINC000508895752 533876552 /nfs/dbraw/zinc/87/65/52/533876552.db2.gz XPISRDBBPOVKGL-UHFFFAOYSA-N 0 3 239.362 3.935 20 0 BHADHN Cc1cccc(C2=CCN(CCCCF)CC2)c1 ZINC000508966649 226373832 /nfs/dbraw/zinc/37/38/32/226373832.db2.gz QDZZNZWAQYDUIG-UHFFFAOYSA-N 0 3 247.357 3.834 20 0 BHADHN Cc1cccc(C2=CCN(CC[C@H](C)F)CC2)c1 ZINC000508968181 226373884 /nfs/dbraw/zinc/37/38/84/226373884.db2.gz VNMNZMWHWALBDT-AWEZNQCLSA-N 0 3 247.357 3.832 20 0 BHADHN Cc1cccc(C2=CCN(CC[C@@H](C)F)CC2)c1 ZINC000508968182 226373954 /nfs/dbraw/zinc/37/39/54/226373954.db2.gz VNMNZMWHWALBDT-CQSZACIVSA-N 0 3 247.357 3.832 20 0 BHADHN CC[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000509056586 529298887 /nfs/dbraw/zinc/29/88/87/529298887.db2.gz KLHJLUHETQGSTC-GFCCVEGCSA-N 0 3 237.774 3.962 20 0 BHADHN CC[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000509056587 529216785 /nfs/dbraw/zinc/21/67/85/529216785.db2.gz KLHJLUHETQGSTC-LBPRGKRZSA-N 0 3 237.774 3.962 20 0 BHADHN CCN(CC[C@@H](C)F)Cc1cccc(Cl)c1 ZINC000509276591 528584336 /nfs/dbraw/zinc/58/43/36/528584336.db2.gz KVXSJXFUPFVPSV-LLVKDONJSA-N 0 3 243.753 3.910 20 0 BHADHN CCN(CC[C@H](C)F)Cc1cccc(Cl)c1 ZINC000509276593 528585752 /nfs/dbraw/zinc/58/57/52/528585752.db2.gz KVXSJXFUPFVPSV-NSHDSACASA-N 0 3 243.753 3.910 20 0 BHADHN CC[C@@H]1c2ccsc2CCN1CC[C@H](C)F ZINC000509310619 529486477 /nfs/dbraw/zinc/48/64/77/529486477.db2.gz MSDWTENWMNEENH-CMPLNLGQSA-N 0 3 241.375 3.805 20 0 BHADHN CC[C@H]1c2ccsc2CCN1CC[C@H](C)F ZINC000509310620 529345698 /nfs/dbraw/zinc/34/56/98/529345698.db2.gz MSDWTENWMNEENH-JQWIXIFHSA-N 0 3 241.375 3.805 20 0 BHADHN CC[C@H]1c2ccsc2CCN1CC[C@@H](C)F ZINC000509310621 529345651 /nfs/dbraw/zinc/34/56/51/529345651.db2.gz MSDWTENWMNEENH-PWSUYJOCSA-N 0 3 241.375 3.805 20 0 BHADHN CC[C@@H]1c2ccsc2CCN1CC[C@@H](C)F ZINC000509310622 529486738 /nfs/dbraw/zinc/48/67/38/529486738.db2.gz MSDWTENWMNEENH-ZYHUDNBSSA-N 0 3 241.375 3.805 20 0 BHADHN CC(C)c1ccc(CN(C)CC[C@@H](C)F)cc1 ZINC000509311993 528090385 /nfs/dbraw/zinc/09/03/85/528090385.db2.gz BJSWAAGHLIERID-CYBMUJFWSA-N 0 3 237.362 3.990 20 0 BHADHN CC(C)c1ccc(CN(C)CC[C@H](C)F)cc1 ZINC000509311994 528090605 /nfs/dbraw/zinc/09/06/05/528090605.db2.gz BJSWAAGHLIERID-ZDUSSCGKSA-N 0 3 237.362 3.990 20 0 BHADHN CCN(CC[C@@H](C)F)Cc1ccccc1Cl ZINC000509312332 528585419 /nfs/dbraw/zinc/58/54/19/528585419.db2.gz BNOIQEPLHCNNMX-LLVKDONJSA-N 0 3 243.753 3.910 20 0 BHADHN CCN(CC[C@H](C)F)Cc1ccccc1Cl ZINC000509312333 528585043 /nfs/dbraw/zinc/58/50/43/528585043.db2.gz BNOIQEPLHCNNMX-NSHDSACASA-N 0 3 243.753 3.910 20 0 BHADHN CCN(CCCCF)Cc1ccccc1Cl ZINC000509312366 528432699 /nfs/dbraw/zinc/43/26/99/528432699.db2.gz BWOUYPIQZCNBGC-UHFFFAOYSA-N 0 3 243.753 3.912 20 0 BHADHN CC[C@@H]1c2ccsc2CCN1CCCCF ZINC000509312483 529486730 /nfs/dbraw/zinc/48/67/30/529486730.db2.gz XGNYSWBUSZCXTO-GFCCVEGCSA-N 0 3 241.375 3.807 20 0 BHADHN CC[C@H]1c2ccsc2CCN1CCCCF ZINC000509312484 529345550 /nfs/dbraw/zinc/34/55/50/529345550.db2.gz XGNYSWBUSZCXTO-LBPRGKRZSA-N 0 3 241.375 3.807 20 0 BHADHN CC(C)CN(Cc1cccc(F)c1F)C(C)C ZINC000509384163 527945204 /nfs/dbraw/zinc/94/52/04/527945204.db2.gz GHIDFEFARRDHGM-UHFFFAOYSA-N 0 3 241.325 3.831 20 0 BHADHN CC[C@@H](C)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000509402008 529314775 /nfs/dbraw/zinc/31/47/75/529314775.db2.gz VRACREJGFWCHIM-SECBINFHSA-N 0 3 245.288 3.582 20 0 BHADHN CC[C@H](C)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000509402009 529650908 /nfs/dbraw/zinc/65/09/08/529650908.db2.gz VRACREJGFWCHIM-VIFPVBQESA-N 0 3 245.288 3.582 20 0 BHADHN Clc1ccccc1C1=CCN(CC2CC2)CC1 ZINC000509466838 229275905 /nfs/dbraw/zinc/27/59/05/229275905.db2.gz ZHOAOSBHCBPRNB-UHFFFAOYSA-N 0 3 247.769 3.839 20 0 BHADHN CC(C)N1CC=C(c2ccccc2Cl)CC1 ZINC000509481439 528985820 /nfs/dbraw/zinc/98/58/20/528985820.db2.gz UBNMZFFDHLTMIV-UHFFFAOYSA-N 0 3 235.758 3.838 20 0 BHADHN CCCN1CC=C(c2ccccc2Cl)CC1 ZINC000509516160 528180634 /nfs/dbraw/zinc/18/06/34/528180634.db2.gz JYFZLCYZDIRGBA-UHFFFAOYSA-N 0 3 235.758 3.839 20 0 BHADHN CN(CCCCc1ccccc1)Cc1ccco1 ZINC000509585548 529885506 /nfs/dbraw/zinc/88/55/06/529885506.db2.gz GQMBKNNKYTXYFH-UHFFFAOYSA-N 0 3 243.350 3.734 20 0 BHADHN CN(Cc1cc(Cl)cc(Cl)c1)CC1CC1 ZINC000509585645 529977519 /nfs/dbraw/zinc/97/75/19/529977519.db2.gz GYYIQXGYKWZVFC-UHFFFAOYSA-N 0 3 244.165 3.835 20 0 BHADHN CCN(CCCCF)Cc1ccc(Cl)s1 ZINC000509845601 528432968 /nfs/dbraw/zinc/43/29/68/528432968.db2.gz CZWWPBKGMCQOSQ-UHFFFAOYSA-N 0 3 249.782 3.973 20 0 BHADHN CCN(CC[C@@H](C)F)Cc1ccc(Cl)s1 ZINC000509847301 528584797 /nfs/dbraw/zinc/58/47/97/528584797.db2.gz QYUSSUPEULHTED-SECBINFHSA-N 0 3 249.782 3.972 20 0 BHADHN CCN(CC[C@H](C)F)Cc1ccc(Cl)s1 ZINC000509847302 528585180 /nfs/dbraw/zinc/58/51/80/528585180.db2.gz QYUSSUPEULHTED-VIFPVBQESA-N 0 3 249.782 3.972 20 0 BHADHN c1cc([C@@H]2CCCCN2CCC2CCCC2)n[nH]1 ZINC000510073022 229291005 /nfs/dbraw/zinc/29/10/05/229291005.db2.gz NRRRGEVQBFFGSZ-HNNXBMFYSA-N 0 3 247.386 3.517 20 0 BHADHN c1cc([C@H]2CCCCN2CCC2CCCC2)n[nH]1 ZINC000510073024 229290641 /nfs/dbraw/zinc/29/06/41/229290641.db2.gz NRRRGEVQBFFGSZ-OAHLLOKOSA-N 0 3 247.386 3.517 20 0 BHADHN CCC(C)(C)CCN1CCCC[C@H]1c1cc[nH]n1 ZINC000510077063 528502007 /nfs/dbraw/zinc/50/20/07/528502007.db2.gz AMVWTRHFGXOECG-AWEZNQCLSA-N 0 3 249.402 3.763 20 0 BHADHN CCC(C)(C)CCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000510077065 528502392 /nfs/dbraw/zinc/50/23/92/528502392.db2.gz AMVWTRHFGXOECG-CQSZACIVSA-N 0 3 249.402 3.763 20 0 BHADHN c1cc([C@@H]2CCCCN2CC2CCCCC2)n[nH]1 ZINC000510088117 229291149 /nfs/dbraw/zinc/29/11/49/229291149.db2.gz SEBGSHOHMAWZHP-HNNXBMFYSA-N 0 3 247.386 3.517 20 0 BHADHN c1cc([C@H]2CCCCN2CC2CCCCC2)n[nH]1 ZINC000510088119 229291227 /nfs/dbraw/zinc/29/12/27/229291227.db2.gz SEBGSHOHMAWZHP-OAHLLOKOSA-N 0 3 247.386 3.517 20 0 BHADHN CC(C)(C)CCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000510132373 527661398 /nfs/dbraw/zinc/66/13/98/527661398.db2.gz KSJLCKJHHMJCGI-AWEZNQCLSA-N 0 3 249.402 3.763 20 0 BHADHN CC(C)(C)CCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000510132374 527660973 /nfs/dbraw/zinc/66/09/73/527660973.db2.gz KSJLCKJHHMJCGI-CQSZACIVSA-N 0 3 249.402 3.763 20 0 BHADHN CC(C)C[C@H](C)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000510140966 528459687 /nfs/dbraw/zinc/45/96/87/528459687.db2.gz WPPBWNFTRMTAKY-DZGCQCFKSA-N 0 3 249.402 3.619 20 0 BHADHN CC(C)C[C@@H](C)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000510140967 528252621 /nfs/dbraw/zinc/25/26/21/528252621.db2.gz WPPBWNFTRMTAKY-HIFRSBDPSA-N 0 3 249.402 3.619 20 0 BHADHN CC(C)C[C@@H](C)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000510140968 528251310 /nfs/dbraw/zinc/25/13/10/528251310.db2.gz WPPBWNFTRMTAKY-UKRRQHHQSA-N 0 3 249.402 3.619 20 0 BHADHN CC(C)C[C@H](C)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000510140969 528460196 /nfs/dbraw/zinc/46/01/96/528460196.db2.gz WPPBWNFTRMTAKY-ZFWWWQNUSA-N 0 3 249.402 3.619 20 0 BHADHN CN(Cc1c(Cl)oc2ccccc21)CC1CC1 ZINC000510390827 529973981 /nfs/dbraw/zinc/97/39/81/529973981.db2.gz FBNLXOPENNIKJP-UHFFFAOYSA-N 0 3 249.741 3.928 20 0 BHADHN CN(Cc1cc(Cl)ccc1Cl)CC1CC1 ZINC000510415768 529977315 /nfs/dbraw/zinc/97/73/15/529977315.db2.gz UWOSZRUFYDXCOE-UHFFFAOYSA-N 0 3 244.165 3.835 20 0 BHADHN CN(Cc1ccc(-c2ccccc2)o1)CC1CC1 ZINC000510446503 529982514 /nfs/dbraw/zinc/98/25/14/529982514.db2.gz UMILLSBDSYXCOS-UHFFFAOYSA-N 0 3 241.334 3.788 20 0 BHADHN CN(Cc1cc(F)c(F)c(F)c1)CC(C)(C)C ZINC000510627878 529978835 /nfs/dbraw/zinc/97/88/35/529978835.db2.gz FNNBNAQPDMLYBR-UHFFFAOYSA-N 0 3 245.288 3.582 20 0 BHADHN Cc1ccc(F)c(CN(C)CC(C)(C)C)c1 ZINC000510673698 229303728 /nfs/dbraw/zinc/30/37/28/229303728.db2.gz DYHHGEXBNKOLSA-UHFFFAOYSA-N 0 3 223.335 3.612 20 0 BHADHN Cc1cc(C)nc(N[C@H]2CC[C@H]2C2CCC2)c1 ZINC000510680331 229303604 /nfs/dbraw/zinc/30/36/04/229303604.db2.gz IAOQSZLOWQXHRY-KBPBESRZSA-N 0 3 230.355 3.689 20 0 BHADHN Cc1cc(C)nc(N[C@H]2CC[C@@H]2C2CCC2)c1 ZINC000510680336 229303376 /nfs/dbraw/zinc/30/33/76/229303376.db2.gz IAOQSZLOWQXHRY-KGLIPLIRSA-N 0 3 230.355 3.689 20 0 BHADHN Cc1cc(C)nc(N[C@@H]2CC[C@H]2C2CCC2)c1 ZINC000510680338 534141936 /nfs/dbraw/zinc/14/19/36/534141936.db2.gz IAOQSZLOWQXHRY-UONOGXRCSA-N 0 3 230.355 3.689 20 0 BHADHN Cc1cc(C)nc(N[C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000510680340 534140962 /nfs/dbraw/zinc/14/09/62/534140962.db2.gz IAOQSZLOWQXHRY-ZIAGYGMSSA-N 0 3 230.355 3.689 20 0 BHADHN CC(C)c1cccc2c1CCN(CCCCF)C2 ZINC000510745211 528189365 /nfs/dbraw/zinc/18/93/65/528189365.db2.gz JPWQDDOMLPENKY-UHFFFAOYSA-N 0 3 249.373 3.918 20 0 BHADHN C[C@@H](F)CCN[C@H](C)c1cc2ccccc2o1 ZINC000510746789 229305959 /nfs/dbraw/zinc/30/59/59/229305959.db2.gz MQPYPCAODVYWNC-GHMZBOCLSA-N 0 3 235.302 3.832 20 0 BHADHN C[C@@H](NCC[C@H](C)F)c1cc2ccccc2o1 ZINC000510746798 229306293 /nfs/dbraw/zinc/30/62/93/229306293.db2.gz MQPYPCAODVYWNC-WDEREUQCSA-N 0 3 235.302 3.832 20 0 BHADHN C/C(=C\c1ccccc1)CN(C)CC[C@H](C)F ZINC000510748806 527532491 /nfs/dbraw/zinc/53/24/91/527532491.db2.gz KAXHUHHYHCQNQV-CMPYXILNSA-N 0 3 235.346 3.770 20 0 BHADHN C/C(=C/c1ccccc1)CN(C)CC[C@H](C)F ZINC000510748807 527505511 /nfs/dbraw/zinc/50/55/11/527505511.db2.gz KAXHUHHYHCQNQV-FZDNWWAKSA-N 0 3 235.346 3.770 20 0 BHADHN C/C(=C/c1ccccc1)CN(C)CC[C@@H](C)F ZINC000510748808 527505295 /nfs/dbraw/zinc/50/52/95/527505295.db2.gz KAXHUHHYHCQNQV-YBEMTRGBSA-N 0 3 235.346 3.770 20 0 BHADHN C/C(=C\c1ccccc1)CN(C)CC[C@@H](C)F ZINC000510748809 527532555 /nfs/dbraw/zinc/53/25/55/527532555.db2.gz KAXHUHHYHCQNQV-YPDDLIOESA-N 0 3 235.346 3.770 20 0 BHADHN CC(C)c1cccc2c1CCN(CC[C@@H](C)F)C2 ZINC000510752708 528188687 /nfs/dbraw/zinc/18/86/87/528188687.db2.gz XZFMTTKYQHYPEB-CYBMUJFWSA-N 0 3 249.373 3.916 20 0 BHADHN CC(C)c1cccc2c1CCN(CC[C@H](C)F)C2 ZINC000510752709 528189197 /nfs/dbraw/zinc/18/91/97/528189197.db2.gz XZFMTTKYQHYPEB-ZDUSSCGKSA-N 0 3 249.373 3.916 20 0 BHADHN C[C@@H](F)CCN[C@@H](C)c1cc2ccccc2o1 ZINC000510764834 229306119 /nfs/dbraw/zinc/30/61/19/229306119.db2.gz MQPYPCAODVYWNC-MNOVXSKESA-N 0 3 235.302 3.832 20 0 BHADHN C[C@H](F)CCN[C@@H](C)c1cc2ccccc2o1 ZINC000510764835 229306355 /nfs/dbraw/zinc/30/63/55/229306355.db2.gz MQPYPCAODVYWNC-QWRGUYRKSA-N 0 3 235.302 3.832 20 0 BHADHN CCCC(CCC)N[C@H](C)c1ccncc1F ZINC000510937553 528000343 /nfs/dbraw/zinc/00/03/43/528000343.db2.gz YXTDMSJMNFBZIB-LLVKDONJSA-N 0 3 238.350 3.840 20 0 BHADHN CCCC(CCC)N[C@@H](C)c1ccncc1F ZINC000510937554 528000313 /nfs/dbraw/zinc/00/03/13/528000313.db2.gz YXTDMSJMNFBZIB-NSHDSACASA-N 0 3 238.350 3.840 20 0 BHADHN CCCC[C@H](CC)N[C@H](C)c1ccncc1F ZINC000510994602 528915125 /nfs/dbraw/zinc/91/51/25/528915125.db2.gz PTYXSPHNOAUGDT-NEPJUHHUSA-N 0 3 238.350 3.840 20 0 BHADHN CCCC[C@@H](CC)N[C@@H](C)c1ccncc1F ZINC000510994605 528783033 /nfs/dbraw/zinc/78/30/33/528783033.db2.gz PTYXSPHNOAUGDT-NWDGAFQWSA-N 0 3 238.350 3.840 20 0 BHADHN CCCC[C@H](CC)N[C@@H](C)c1ccncc1F ZINC000510994607 528915150 /nfs/dbraw/zinc/91/51/50/528915150.db2.gz PTYXSPHNOAUGDT-RYUDHWBXSA-N 0 3 238.350 3.840 20 0 BHADHN CCCC[C@@H](CC)N[C@H](C)c1ccncc1F ZINC000510994609 528782886 /nfs/dbraw/zinc/78/28/86/528782886.db2.gz PTYXSPHNOAUGDT-VXGBXAGGSA-N 0 3 238.350 3.840 20 0 BHADHN CSc1ccccc1CN(C)CC(C)(C)C ZINC000511102379 533039293 /nfs/dbraw/zinc/03/92/93/533039293.db2.gz SIRJFAXTOCPRGT-UHFFFAOYSA-N 0 3 237.412 3.886 20 0 BHADHN CCCCN(C)Cc1ccccc1SC ZINC000511129295 528359270 /nfs/dbraw/zinc/35/92/70/528359270.db2.gz GUGXXTCFBXATGS-UHFFFAOYSA-N 0 3 223.385 3.640 20 0 BHADHN CC[C@@H](CN(C)Cc1ccoc1)c1ccccc1 ZINC000511502147 529471979 /nfs/dbraw/zinc/47/19/79/529471979.db2.gz AZBGIULYQKPYCT-HNNXBMFYSA-N 0 3 243.350 3.905 20 0 BHADHN CC[C@H](CN(C)Cc1ccoc1)c1ccccc1 ZINC000511502148 529332704 /nfs/dbraw/zinc/33/27/04/529332704.db2.gz AZBGIULYQKPYCT-OAHLLOKOSA-N 0 3 243.350 3.905 20 0 BHADHN CC[C@@H]1CCCN1Cc1cc(C)ccc1F ZINC000511510433 529302107 /nfs/dbraw/zinc/30/21/07/529302107.db2.gz VAVGKLBTLONYHJ-CYBMUJFWSA-N 0 3 221.319 3.509 20 0 BHADHN CC[C@H]1CCCN1Cc1cc(C)ccc1F ZINC000511510434 529220295 /nfs/dbraw/zinc/22/02/95/529220295.db2.gz VAVGKLBTLONYHJ-ZDUSSCGKSA-N 0 3 221.319 3.509 20 0 BHADHN CCCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511540771 528486958 /nfs/dbraw/zinc/48/69/58/528486958.db2.gz IRNCZJCNDZFDRL-CYBMUJFWSA-N 0 3 223.747 3.887 20 0 BHADHN CCCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000511540772 528485743 /nfs/dbraw/zinc/48/57/43/528485743.db2.gz IRNCZJCNDZFDRL-ZDUSSCGKSA-N 0 3 223.747 3.887 20 0 BHADHN Clc1ccc([C@@H]2CCN2CCC2CC2)cc1 ZINC000511547746 229320451 /nfs/dbraw/zinc/32/04/51/229320451.db2.gz VOUPTJNGXRMUHK-AWEZNQCLSA-N 0 3 235.758 3.887 20 0 BHADHN Clc1ccc([C@H]2CCN2CCC2CC2)cc1 ZINC000511547747 229320218 /nfs/dbraw/zinc/32/02/18/229320218.db2.gz VOUPTJNGXRMUHK-CQSZACIVSA-N 0 3 235.758 3.887 20 0 BHADHN Clc1ccc([C@@H]2CCN2CC2CCC2)cc1 ZINC000511599502 229322719 /nfs/dbraw/zinc/32/27/19/229322719.db2.gz ZMGFELMXTGHTCG-AWEZNQCLSA-N 0 3 235.758 3.887 20 0 BHADHN Clc1ccc([C@H]2CCN2CC2CCC2)cc1 ZINC000511599504 229322767 /nfs/dbraw/zinc/32/27/67/229322767.db2.gz ZMGFELMXTGHTCG-CQSZACIVSA-N 0 3 235.758 3.887 20 0 BHADHN CN(CCC(F)(F)F)CC1CCCCCC1 ZINC000511755661 529874344 /nfs/dbraw/zinc/87/43/44/529874344.db2.gz MBJYDQATASZUKF-UHFFFAOYSA-N 0 3 237.309 3.841 20 0 BHADHN CC1CCC(CN(C)CCC(F)(F)F)CC1 ZINC000511766865 528176627 /nfs/dbraw/zinc/17/66/27/528176627.db2.gz AAZIHFNQWHZWIA-UHFFFAOYSA-N 0 3 237.309 3.697 20 0 BHADHN CC(C)=CCNC/C=C\c1ccc(F)c(F)c1 ZINC000511795968 527442972 /nfs/dbraw/zinc/44/29/72/527442972.db2.gz JXDWHKRPULNTSP-ARJAWSKDSA-N 0 3 237.293 3.534 20 0 BHADHN CC(C)=CCNC/C=C/c1ccc(F)c(F)c1 ZINC000511795969 527442442 /nfs/dbraw/zinc/44/24/42/527442442.db2.gz JXDWHKRPULNTSP-ONEGZZNKSA-N 0 3 237.293 3.534 20 0 BHADHN Fc1ccccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000511878985 229327508 /nfs/dbraw/zinc/32/75/08/229327508.db2.gz ZZAIMVCHKDFCGP-DOMZBBRYSA-N 0 3 233.330 3.590 20 0 BHADHN Fc1ccccc1CN1CCC[C@H]2CCC[C@H]21 ZINC000511878986 229327757 /nfs/dbraw/zinc/32/77/57/229327757.db2.gz ZZAIMVCHKDFCGP-IUODEOHRSA-N 0 3 233.330 3.590 20 0 BHADHN Fc1ccccc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000511878987 229328374 /nfs/dbraw/zinc/32/83/74/229328374.db2.gz ZZAIMVCHKDFCGP-SWLSCSKDSA-N 0 3 233.330 3.590 20 0 BHADHN Fc1ccccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000511878988 229328119 /nfs/dbraw/zinc/32/81/19/229328119.db2.gz ZZAIMVCHKDFCGP-WFASDCNBSA-N 0 3 233.330 3.590 20 0 BHADHN C[C@H]1CCN(Cc2c(Cl)oc3ccccc32)C1 ZINC000511979623 229329051 /nfs/dbraw/zinc/32/90/51/229329051.db2.gz XOESKKBDGWCAOM-JTQLQIEISA-N 0 3 249.741 3.928 20 0 BHADHN C[C@@H]1CCN(Cc2c(Cl)oc3ccccc32)C1 ZINC000511979624 229328899 /nfs/dbraw/zinc/32/88/99/229328899.db2.gz XOESKKBDGWCAOM-SNVBAGLBSA-N 0 3 249.741 3.928 20 0 BHADHN Fc1ccc(/C=C\CN[C@@H]2C=CCCC2)cc1F ZINC000512009931 229329238 /nfs/dbraw/zinc/32/92/38/229329238.db2.gz VGQCDYNAMSGQGY-DSYXLKISSA-N 0 3 249.304 3.676 20 0 BHADHN Fc1ccc(/C=C/CN[C@H]2C=CCCC2)cc1F ZINC000512009937 229329358 /nfs/dbraw/zinc/32/93/58/229329358.db2.gz VGQCDYNAMSGQGY-IHVVCDCBSA-N 0 3 249.304 3.676 20 0 BHADHN Fc1ccc(/C=C/CN[C@@H]2C=CCCC2)cc1F ZINC000512009938 229329105 /nfs/dbraw/zinc/32/91/05/229329105.db2.gz VGQCDYNAMSGQGY-MUBLQREKSA-N 0 3 249.304 3.676 20 0 BHADHN Fc1ccc(/C=C\CN[C@H]2C=CCCC2)cc1F ZINC000512009940 229328889 /nfs/dbraw/zinc/32/88/89/229328889.db2.gz VGQCDYNAMSGQGY-ZFDPJTLLSA-N 0 3 249.304 3.676 20 0 BHADHN CCCCCN(Cc1cc[nH]n1)[C@H](C)CCC ZINC000512061523 528182141 /nfs/dbraw/zinc/18/21/41/528182141.db2.gz YOKLRNXARNCKJQ-CYBMUJFWSA-N 0 3 237.391 3.591 20 0 BHADHN CCCCCN(Cc1cc[nH]n1)[C@@H](C)CCC ZINC000512061524 528181930 /nfs/dbraw/zinc/18/19/30/528181930.db2.gz YOKLRNXARNCKJQ-ZDUSSCGKSA-N 0 3 237.391 3.591 20 0 BHADHN C[C@@H]1CCCCCN1Cc1nc2ccccc2o1 ZINC000512175272 229334750 /nfs/dbraw/zinc/33/47/50/229334750.db2.gz NUYMFAHCWHKIDK-GFCCVEGCSA-N 0 3 244.338 3.592 20 0 BHADHN C[C@H]1CCCCCN1Cc1nc2ccccc2o1 ZINC000512175273 229334891 /nfs/dbraw/zinc/33/48/91/229334891.db2.gz NUYMFAHCWHKIDK-LBPRGKRZSA-N 0 3 244.338 3.592 20 0 BHADHN CCN(Cc1cccc(F)c1F)[C@H](C)C(C)C ZINC000512226382 528812585 /nfs/dbraw/zinc/81/25/85/528812585.db2.gz IHKNHDFEUFNDQT-LLVKDONJSA-N 0 3 241.325 3.831 20 0 BHADHN Cc1ccc(CNCC[C@H]2CCCC[C@@H]2C)o1 ZINC000512229384 534060309 /nfs/dbraw/zinc/06/03/09/534060309.db2.gz NRFODCHOOZHTMH-GXTWGEPZSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccc(CNCC[C@@H]2CCCC[C@@H]2C)o1 ZINC000512229385 534058962 /nfs/dbraw/zinc/05/89/62/534058962.db2.gz NRFODCHOOZHTMH-JSGCOSHPSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccc(CNCC[C@@H]2CCCC[C@H]2C)o1 ZINC000512229386 534059392 /nfs/dbraw/zinc/05/93/92/534059392.db2.gz NRFODCHOOZHTMH-OCCSQVGLSA-N 0 3 235.371 3.894 20 0 BHADHN Cc1ccc(CNCC[C@H]2CCCC[C@H]2C)o1 ZINC000512229387 534059722 /nfs/dbraw/zinc/05/97/22/534059722.db2.gz NRFODCHOOZHTMH-TZMCWYRMSA-N 0 3 235.371 3.894 20 0 BHADHN CC/C=C\CCN1CCOc2ccc(C)cc2C1 ZINC000512261658 528789830 /nfs/dbraw/zinc/78/98/30/528789830.db2.gz QVKYOZKPTBIJBS-PLNGDYQASA-N 0 3 245.366 3.546 20 0 BHADHN CC/C=C/CCN1CCOc2ccc(C)cc2C1 ZINC000512261659 528772346 /nfs/dbraw/zinc/77/23/46/528772346.db2.gz QVKYOZKPTBIJBS-SNAWJCMRSA-N 0 3 245.366 3.546 20 0 BHADHN CC[C@@H](F)CN([C@@H](C)c1ccccc1)C1CC1 ZINC000512269720 529550584 /nfs/dbraw/zinc/55/05/84/529550584.db2.gz MQCUAQFYELBPMN-GXTWGEPZSA-N 0 3 235.346 3.960 20 0 BHADHN CC[C@H](F)CN([C@@H](C)c1ccccc1)C1CC1 ZINC000512269721 529436637 /nfs/dbraw/zinc/43/66/37/529436637.db2.gz MQCUAQFYELBPMN-JSGCOSHPSA-N 0 3 235.346 3.960 20 0 BHADHN CC[C@H](F)CN([C@H](C)c1ccccc1)C1CC1 ZINC000512269722 529436514 /nfs/dbraw/zinc/43/65/14/529436514.db2.gz MQCUAQFYELBPMN-OCCSQVGLSA-N 0 3 235.346 3.960 20 0 BHADHN CC[C@@H](F)CN([C@H](C)c1ccccc1)C1CC1 ZINC000512269723 529551807 /nfs/dbraw/zinc/55/18/07/529551807.db2.gz MQCUAQFYELBPMN-TZMCWYRMSA-N 0 3 235.346 3.960 20 0 BHADHN CN(Cc1cc(F)cc(F)c1)CC1CCCC1 ZINC000512669718 529980030 /nfs/dbraw/zinc/98/00/30/529980030.db2.gz XQTRKCVJPWOZFF-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN FC(F)C1(NC[C@@H]2CC=CCC2)CCCCC1 ZINC000512897184 487563861 /nfs/dbraw/zinc/56/38/61/487563861.db2.gz ZYOJMKQARZUYCP-GFCCVEGCSA-N 0 3 243.341 3.900 20 0 BHADHN FC(F)C1(NC[C@H]2CC=CCC2)CCCCC1 ZINC000512897185 229378626 /nfs/dbraw/zinc/37/86/26/229378626.db2.gz ZYOJMKQARZUYCP-LBPRGKRZSA-N 0 3 243.341 3.900 20 0 BHADHN CN(CCC1CCCCC1)Cc1cccc(O)c1 ZINC000513027018 529877706 /nfs/dbraw/zinc/87/77/06/529877706.db2.gz IBOAXOXDEZTNAX-UHFFFAOYSA-N 0 3 247.382 3.794 20 0 BHADHN Cc1ncccc1CN(C)CCC1CCCCC1 ZINC000513028063 229384645 /nfs/dbraw/zinc/38/46/45/229384645.db2.gz UKWPXXUYYIZGHL-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN Cc1ccc(CN(C)CCC2CCCCC2)nc1 ZINC000513036685 533872948 /nfs/dbraw/zinc/87/29/48/533872948.db2.gz OFHFBBPVYCZQJW-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CCCCOc1ccccc1CN[C@@H]1CC[C@@H]1C ZINC000513070074 528702323 /nfs/dbraw/zinc/70/23/23/528702323.db2.gz QWOILVHYFWLAOJ-DZGCQCFKSA-N 0 3 247.382 3.754 20 0 BHADHN CCCCOc1ccccc1CN[C@H]1CC[C@H]1C ZINC000513070075 528701603 /nfs/dbraw/zinc/70/16/03/528701603.db2.gz QWOILVHYFWLAOJ-HIFRSBDPSA-N 0 3 247.382 3.754 20 0 BHADHN CCCCOc1ccccc1CN[C@@H]1CC[C@H]1C ZINC000513070076 528701962 /nfs/dbraw/zinc/70/19/62/528701962.db2.gz QWOILVHYFWLAOJ-UKRRQHHQSA-N 0 3 247.382 3.754 20 0 BHADHN CCCCOc1ccccc1CN[C@H]1CC[C@@H]1C ZINC000513070077 528702653 /nfs/dbraw/zinc/70/26/53/528702653.db2.gz QWOILVHYFWLAOJ-ZFWWWQNUSA-N 0 3 247.382 3.754 20 0 BHADHN C[C@@H]1CC[C@@H]1NCc1ccc(-c2ccccc2)o1 ZINC000513085097 534201542 /nfs/dbraw/zinc/20/15/42/534201542.db2.gz ZGZKEHYDDAEKQO-DOMZBBRYSA-N 0 3 241.334 3.835 20 0 BHADHN C[C@@H]1CC[C@H]1NCc1ccc(-c2ccccc2)o1 ZINC000513085098 534263396 /nfs/dbraw/zinc/26/33/96/534263396.db2.gz ZGZKEHYDDAEKQO-IUODEOHRSA-N 0 3 241.334 3.835 20 0 BHADHN C[C@H]1CC[C@H]1NCc1ccc(-c2ccccc2)o1 ZINC000513085099 229388686 /nfs/dbraw/zinc/38/86/86/229388686.db2.gz ZGZKEHYDDAEKQO-SWLSCSKDSA-N 0 3 241.334 3.835 20 0 BHADHN C[C@H]1CC[C@@H]1NCc1ccc(-c2ccccc2)o1 ZINC000513085100 533724400 /nfs/dbraw/zinc/72/44/00/533724400.db2.gz ZGZKEHYDDAEKQO-WFASDCNBSA-N 0 3 241.334 3.835 20 0 BHADHN CN(CCC1CCCCC1)Cc1ccco1 ZINC000513107116 529877679 /nfs/dbraw/zinc/87/76/79/529877679.db2.gz TXSPTAMMIZWZED-UHFFFAOYSA-N 0 3 221.344 3.682 20 0 BHADHN CC[C@H](F)CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513229391 487677490 /nfs/dbraw/zinc/67/74/90/487677490.db2.gz XTRZEXAVILRKKY-AEGPPILISA-N 0 3 235.346 3.818 20 0 BHADHN CC[C@H](F)CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513229392 487677423 /nfs/dbraw/zinc/67/74/23/487677423.db2.gz XTRZEXAVILRKKY-QEJZJMRPSA-N 0 3 235.346 3.818 20 0 BHADHN CC[C@H](F)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513229393 487677620 /nfs/dbraw/zinc/67/76/20/487677620.db2.gz XTRZEXAVILRKKY-SNPRPXQTSA-N 0 3 235.346 3.818 20 0 BHADHN CC[C@H](F)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513229394 487677606 /nfs/dbraw/zinc/67/76/06/487677606.db2.gz XTRZEXAVILRKKY-VHDGCEQUSA-N 0 3 235.346 3.818 20 0 BHADHN CC(C)=CCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000513333397 527427524 /nfs/dbraw/zinc/42/75/24/527427524.db2.gz KKFZEERKCRWAMU-LLVKDONJSA-N 0 3 239.309 3.924 20 0 BHADHN CC(C)=CCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000513333398 388423542 /nfs/dbraw/zinc/42/35/42/388423542.db2.gz KKFZEERKCRWAMU-NSHDSACASA-N 0 3 239.309 3.924 20 0 BHADHN c1ccc2c(c1)CN(CC1CCCCC1)C2 ZINC000513641441 388437428 /nfs/dbraw/zinc/43/74/28/388437428.db2.gz ALUGFQDDBRBIQG-UHFFFAOYSA-N 0 3 215.340 3.583 20 0 BHADHN c1ccc([C@@H]2C[C@@H]2CN2Cc3ccccc3C2)cc1 ZINC000513643060 388437184 /nfs/dbraw/zinc/43/71/84/388437184.db2.gz QUAZFUFFKGLJRM-MSOLQXFVSA-N 0 3 249.357 3.806 20 0 BHADHN c1ccc([C@H]2C[C@@H]2CN2Cc3ccccc3C2)cc1 ZINC000513643062 388436948 /nfs/dbraw/zinc/43/69/48/388436948.db2.gz QUAZFUFFKGLJRM-QZTJIDSGSA-N 0 3 249.357 3.806 20 0 BHADHN c1ccc([C@H]2C[C@H]2CN2Cc3ccccc3C2)cc1 ZINC000513643064 388437202 /nfs/dbraw/zinc/43/72/02/388437202.db2.gz QUAZFUFFKGLJRM-ZWKOTPCHSA-N 0 3 249.357 3.806 20 0 BHADHN CCCCC1CCC(N[C@@H](C)c2ncc[nH]2)CC1 ZINC000513655123 487738516 /nfs/dbraw/zinc/73/85/16/487738516.db2.gz LGZBETFMKNZKAA-HSBZDZAISA-N 0 3 249.402 3.809 20 0 BHADHN CCCCC1CCC(N[C@H](C)c2ncc[nH]2)CC1 ZINC000513655124 487738702 /nfs/dbraw/zinc/73/87/02/487738702.db2.gz LGZBETFMKNZKAA-IYXRBSQSSA-N 0 3 249.402 3.809 20 0 BHADHN C[C@@H]1c2ccccc2CCN1Cc1cccs1 ZINC000513671808 388439529 /nfs/dbraw/zinc/43/95/29/388439529.db2.gz GAYISIUKWWONOH-GFCCVEGCSA-N 0 3 243.375 3.867 20 0 BHADHN C[C@H]1c2ccccc2CCN1Cc1cccs1 ZINC000513671809 388439605 /nfs/dbraw/zinc/43/96/05/388439605.db2.gz GAYISIUKWWONOH-LBPRGKRZSA-N 0 3 243.375 3.867 20 0 BHADHN CN(Cc1ccc(Cl)cc1F)C1CCCC1 ZINC000513691170 388440200 /nfs/dbraw/zinc/44/02/00/388440200.db2.gz RXRGQXQFSXBWNE-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CC(C)(C)CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000513712455 527689247 /nfs/dbraw/zinc/68/92/47/527689247.db2.gz CSAINHRTMDXFES-CYBMUJFWSA-N 0 3 249.402 3.667 20 0 BHADHN CC(C)(C)CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000513712456 388442891 /nfs/dbraw/zinc/44/28/91/388442891.db2.gz CSAINHRTMDXFES-ZDUSSCGKSA-N 0 3 249.402 3.667 20 0 BHADHN c1csc(CN2CCCc3ccccc3C2)c1 ZINC000513729902 388444170 /nfs/dbraw/zinc/44/41/70/388444170.db2.gz SMNADXFMEIWXLW-UHFFFAOYSA-N 0 3 243.375 3.697 20 0 BHADHN CC(C)(C)[C@H]1CCCN1Cc1ccc(Cl)o1 ZINC000513756476 388447887 /nfs/dbraw/zinc/44/78/87/388447887.db2.gz YEDDKDKSMSFBHN-LLVKDONJSA-N 0 3 241.762 3.944 20 0 BHADHN CC(C)(C)[C@@H]1CCCN1Cc1ccc(Cl)o1 ZINC000513756480 388447616 /nfs/dbraw/zinc/44/76/16/388447616.db2.gz YEDDKDKSMSFBHN-NSHDSACASA-N 0 3 241.762 3.944 20 0 BHADHN CC(C)CCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000513760773 388447914 /nfs/dbraw/zinc/44/79/14/388447914.db2.gz KRNLYBUBJVZGNC-AWEZNQCLSA-N 0 3 249.402 3.667 20 0 BHADHN CC(C)CCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000513760774 388447993 /nfs/dbraw/zinc/44/79/93/388447993.db2.gz KRNLYBUBJVZGNC-CQSZACIVSA-N 0 3 249.402 3.667 20 0 BHADHN CCN(CCC(F)(F)F)Cc1ccccc1C ZINC000514001217 388483713 /nfs/dbraw/zinc/48/37/13/388483713.db2.gz HKLPAUGEDIQRHH-UHFFFAOYSA-N 0 3 245.288 3.769 20 0 BHADHN Cc1ccc(CN(C)C[C@@H](C)c2ccccc2)o1 ZINC000514096457 386680469 /nfs/dbraw/zinc/68/04/69/386680469.db2.gz WAQXWMKBURKISN-CYBMUJFWSA-N 0 3 243.350 3.824 20 0 BHADHN Cc1ccc(CN(C)C[C@H](C)c2ccccc2)o1 ZINC000514096464 386682617 /nfs/dbraw/zinc/68/26/17/386682617.db2.gz WAQXWMKBURKISN-ZDUSSCGKSA-N 0 3 243.350 3.824 20 0 BHADHN CCOCCN[C@@H](C)c1cccc(CC(C)C)c1 ZINC000514098270 385913722 /nfs/dbraw/zinc/91/37/22/385913722.db2.gz FMQVQHUNHIUKCM-AWEZNQCLSA-N 0 3 249.398 3.572 20 0 BHADHN CCOCCN[C@H](C)c1cccc(CC(C)C)c1 ZINC000514098272 385913576 /nfs/dbraw/zinc/91/35/76/385913576.db2.gz FMQVQHUNHIUKCM-CQSZACIVSA-N 0 3 249.398 3.572 20 0 BHADHN CCCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000514103637 356603284 /nfs/dbraw/zinc/60/32/84/356603284.db2.gz CZSANKDSNFITMI-AWEZNQCLSA-N 0 3 249.402 3.811 20 0 BHADHN CCCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000514103638 356603628 /nfs/dbraw/zinc/60/36/28/356603628.db2.gz CZSANKDSNFITMI-CQSZACIVSA-N 0 3 249.402 3.811 20 0 BHADHN CN(CCC1CCCCCC1)Cc1ccccn1 ZINC000514619308 323326377 /nfs/dbraw/zinc/32/63/77/323326377.db2.gz USKYVBHHIITAAN-UHFFFAOYSA-N 0 3 246.398 3.874 20 0 BHADHN CC(C)=CCN(C)Cc1ccc(Cl)cc1 ZINC000514736067 387282008 /nfs/dbraw/zinc/28/20/08/387282008.db2.gz BHBFPUAEXYGDCR-UHFFFAOYSA-N 0 3 223.747 3.738 20 0 BHADHN C[C@@H](CN1[C@H](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000514839702 387300395 /nfs/dbraw/zinc/30/03/95/387300395.db2.gz DPOZKCZQGNHJGT-GARJFASQSA-N 0 3 239.309 3.551 20 0 BHADHN C[C@H](CN1[C@H](C)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000514839703 387299798 /nfs/dbraw/zinc/29/97/98/387299798.db2.gz DPOZKCZQGNHJGT-GMTAPVOTSA-N 0 3 239.309 3.551 20 0 BHADHN C[C@H](CN1[C@H](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000514839704 387299784 /nfs/dbraw/zinc/29/97/84/387299784.db2.gz DPOZKCZQGNHJGT-MXWKQRLJSA-N 0 3 239.309 3.551 20 0 BHADHN C[C@H](CN1[C@@H](C)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000514839705 387300319 /nfs/dbraw/zinc/30/03/19/387300319.db2.gz DPOZKCZQGNHJGT-VWYCJHECSA-N 0 3 239.309 3.551 20 0 BHADHN CCc1ccc(CN2CCC[C@H](CC)CC2)nc1 ZINC000514923228 387307783 /nfs/dbraw/zinc/30/77/83/387307783.db2.gz ZZDXJIASXBGKNW-AWEZNQCLSA-N 0 3 246.398 3.656 20 0 BHADHN CCc1ccc(CN2CCC[C@@H](CC)CC2)nc1 ZINC000514923229 387308612 /nfs/dbraw/zinc/30/86/12/387308612.db2.gz ZZDXJIASXBGKNW-CQSZACIVSA-N 0 3 246.398 3.656 20 0 BHADHN CCCC(CCC)NCc1noc2ccccc12 ZINC000514952112 387315024 /nfs/dbraw/zinc/31/50/24/387315024.db2.gz OQZZFWNTZGYRKF-UHFFFAOYSA-N 0 3 246.354 3.886 20 0 BHADHN C[C@@H]1C[C@@H]1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000515093201 387336921 /nfs/dbraw/zinc/33/69/21/387336921.db2.gz FUIMMUURCWCYAK-MPKXVKKWSA-N 0 3 235.758 3.743 20 0 BHADHN C[C@@H]1C[C@H]1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000515093202 387335843 /nfs/dbraw/zinc/33/58/43/387335843.db2.gz FUIMMUURCWCYAK-OSMZGAPFSA-N 0 3 235.758 3.743 20 0 BHADHN C[C@@H]1C[C@@H]1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000515093203 387335483 /nfs/dbraw/zinc/33/54/83/387335483.db2.gz FUIMMUURCWCYAK-QKCSRTOESA-N 0 3 235.758 3.743 20 0 BHADHN C[C@@H]1C[C@H]1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000515093204 387335316 /nfs/dbraw/zinc/33/53/16/387335316.db2.gz FUIMMUURCWCYAK-SCDSUCTJSA-N 0 3 235.758 3.743 20 0 BHADHN CN(CCCF)Cc1ccc(C(C)(C)C)cc1 ZINC000515194773 387348152 /nfs/dbraw/zinc/34/81/52/387348152.db2.gz FYURVZPMWJAZJN-UHFFFAOYSA-N 0 3 237.362 3.776 20 0 BHADHN CCCCN(Cc1cocn1)C1CCCCC1 ZINC000515239802 387352944 /nfs/dbraw/zinc/35/29/44/387352944.db2.gz UFZHTQLLRQWGII-UHFFFAOYSA-N 0 3 236.359 3.609 20 0 BHADHN CCN(Cc1ccccc1OCC(C)C)C(C)C ZINC000515389343 387376313 /nfs/dbraw/zinc/37/63/13/387376313.db2.gz BIXGDSYFUAGJGT-UHFFFAOYSA-N 0 3 249.398 3.952 20 0 BHADHN CC(C)C[C@@H](C)N1CCc2ccc(F)cc2C1 ZINC000515443807 411275347 /nfs/dbraw/zinc/27/53/47/411275347.db2.gz PVMASPKGQFJMNQ-GFCCVEGCSA-N 0 3 235.346 3.618 20 0 BHADHN CC(C)C[C@H](C)N1CCc2ccc(F)cc2C1 ZINC000515443808 411275227 /nfs/dbraw/zinc/27/52/27/411275227.db2.gz PVMASPKGQFJMNQ-LBPRGKRZSA-N 0 3 235.346 3.618 20 0 BHADHN Cc1cnccc1CN1CCC2(CCCC2)CC1 ZINC000515458677 256746687 /nfs/dbraw/zinc/74/66/87/256746687.db2.gz WPLVPVVELPEMBR-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN CCN(Cc1ccc(F)cc1Cl)C(C)C ZINC000515496361 387390999 /nfs/dbraw/zinc/39/09/99/387390999.db2.gz SYMWZHMBEQOODM-UHFFFAOYSA-N 0 3 229.726 3.709 20 0 BHADHN C[C@@H](c1ccc(F)cc1)N1C2CCC1CC2 ZINC000515542233 387393591 /nfs/dbraw/zinc/39/35/91/387393591.db2.gz LNQIGRRYSCXMDW-FNBIGBAISA-N 0 3 219.303 3.514 20 0 BHADHN C[C@H](c1ccc(F)cc1)N1C2CCC1CC2 ZINC000515542351 387394471 /nfs/dbraw/zinc/39/44/71/387394471.db2.gz LNQIGRRYSCXMDW-GWMXKSKGSA-N 0 3 219.303 3.514 20 0 BHADHN CC(C)=CCN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000515548309 387395923 /nfs/dbraw/zinc/39/59/23/387395923.db2.gz QAQXBHMIABRSCR-KKUMJFAQSA-N 0 3 221.388 3.853 20 0 BHADHN CC(C)=CCN1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000515548310 387395377 /nfs/dbraw/zinc/39/53/77/387395377.db2.gz QAQXBHMIABRSCR-RRFJBIMHSA-N 0 3 221.388 3.853 20 0 BHADHN CC(C)=CCN1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000515548311 387395159 /nfs/dbraw/zinc/39/51/59/387395159.db2.gz QAQXBHMIABRSCR-SOUVJXGZSA-N 0 3 221.388 3.853 20 0 BHADHN CC(C)=CCN1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000515548312 387395511 /nfs/dbraw/zinc/39/55/11/387395511.db2.gz QAQXBHMIABRSCR-ZNMIVQPWSA-N 0 3 221.388 3.853 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1ccccc1F ZINC000515844218 387432811 /nfs/dbraw/zinc/43/28/11/387432811.db2.gz UPWGUZUSISRSAM-QJPTWQEYSA-N 0 3 239.309 3.757 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@H](F)C1)c1ccccc1F ZINC000515844219 387433620 /nfs/dbraw/zinc/43/36/20/387433620.db2.gz UPWGUZUSISRSAM-SDDRHHMPSA-N 0 3 239.309 3.757 20 0 BHADHN C[C@H](N[C@H]1CCC[C@H](F)C1)c1ccccc1F ZINC000515844220 387433082 /nfs/dbraw/zinc/43/30/82/387433082.db2.gz UPWGUZUSISRSAM-SRVKXCTJSA-N 0 3 239.309 3.757 20 0 BHADHN C[C@H](N[C@H]1CCC[C@@H](F)C1)c1ccccc1F ZINC000515844221 387433103 /nfs/dbraw/zinc/43/31/03/387433103.db2.gz UPWGUZUSISRSAM-TUAOUCFPSA-N 0 3 239.309 3.757 20 0 BHADHN CCCN(Cc1ccc(F)cc1F)CC(C)C ZINC000515891337 411278353 /nfs/dbraw/zinc/27/83/53/411278353.db2.gz IPDRZUAQOYKSSM-UHFFFAOYSA-N 0 3 241.325 3.833 20 0 BHADHN CC[C@@H](C)N(C)Cc1ccc(SC)s1 ZINC000515929720 411278306 /nfs/dbraw/zinc/27/83/06/411278306.db2.gz ZTQHQLKCJVNYRF-SECBINFHSA-N 0 3 229.414 3.700 20 0 BHADHN CC[C@H](C)N(C)Cc1ccc(SC)s1 ZINC000515929721 411278364 /nfs/dbraw/zinc/27/83/64/411278364.db2.gz ZTQHQLKCJVNYRF-VIFPVBQESA-N 0 3 229.414 3.700 20 0 BHADHN Cc1cnccc1CN1CC=C(C(C)(C)C)CC1 ZINC000515983023 256761476 /nfs/dbraw/zinc/76/14/76/256761476.db2.gz NDINVNUNILCGGY-UHFFFAOYSA-N 0 3 244.382 3.568 20 0 BHADHN CC1(F)CC(NCc2ccc(C(F)F)cc2)C1 ZINC000516241988 387485916 /nfs/dbraw/zinc/48/59/16/387485916.db2.gz LIBYTEKLWKWQJX-UHFFFAOYSA-N 0 3 243.272 3.604 20 0 BHADHN Cc1cc(C)c(CN2CCC[C@H]2CF)c(C)c1 ZINC000516259882 387491052 /nfs/dbraw/zinc/49/10/52/387491052.db2.gz QWLQSLHCGYDXNI-AWEZNQCLSA-N 0 3 235.346 3.546 20 0 BHADHN Cc1cc(C)c(CN2CCC[C@@H]2CF)c(C)c1 ZINC000516259883 387490760 /nfs/dbraw/zinc/49/07/60/387490760.db2.gz QWLQSLHCGYDXNI-CQSZACIVSA-N 0 3 235.346 3.546 20 0 BHADHN C[C@@H]1CN(Cc2ccc3ccccc3c2)[C@@H]1C ZINC000516320012 387498133 /nfs/dbraw/zinc/49/81/33/387498133.db2.gz JPZLMBFCUDQAKW-CHWSQXEVSA-N 0 3 225.335 3.680 20 0 BHADHN C[C@@H]1CN(Cc2ccc3ccccc3c2)[C@H]1C ZINC000516320018 387491803 /nfs/dbraw/zinc/49/18/03/387491803.db2.gz JPZLMBFCUDQAKW-OLZOCXBDSA-N 0 3 225.335 3.680 20 0 BHADHN C[C@@H]1[C@@H](C)CN1Cc1ccc2ccccc2c1 ZINC000516320019 387493240 /nfs/dbraw/zinc/49/32/40/387493240.db2.gz JPZLMBFCUDQAKW-QWHCGFSZSA-N 0 3 225.335 3.680 20 0 BHADHN C[C@H]1CN(Cc2ccc3ccccc3c2)[C@H]1C ZINC000516320022 387492380 /nfs/dbraw/zinc/49/23/80/387492380.db2.gz JPZLMBFCUDQAKW-STQMWFEESA-N 0 3 225.335 3.680 20 0 BHADHN CCc1cnc(CN(CC)C(CC)CC)s1 ZINC000516514297 387519392 /nfs/dbraw/zinc/51/93/92/387519392.db2.gz OJTRUUXNDAWYRB-UHFFFAOYSA-N 0 3 240.416 3.716 20 0 BHADHN CCCN(Cc1cnc(C2CC2)s1)C(C)C ZINC000516584270 388358279 /nfs/dbraw/zinc/35/82/79/388358279.db2.gz UNNCAIUVBGHEIG-UHFFFAOYSA-N 0 3 238.400 3.641 20 0 BHADHN CC(C)=CCN(Cc1cccs1)C(C)C ZINC000516745552 388515106 /nfs/dbraw/zinc/51/51/06/388515106.db2.gz WBZGGQSWWPPLOX-UHFFFAOYSA-N 0 3 223.385 3.925 20 0 BHADHN CC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1F ZINC000516931887 384417702 /nfs/dbraw/zinc/41/77/02/384417702.db2.gz SVQSXSVKZRDQJN-WCQGTBRESA-N 0 3 243.272 3.520 20 0 BHADHN C[C@@H](c1ccccc1Cl)N1[C@H](C)C[C@@H]1C ZINC000516944695 388527741 /nfs/dbraw/zinc/52/77/41/388527741.db2.gz UNOIWKKSJVWMIU-AXFHLTTASA-N 0 3 223.747 3.884 20 0 BHADHN C[C@H](c1ccccc1Cl)N1[C@H](C)C[C@H]1C ZINC000516944696 388527336 /nfs/dbraw/zinc/52/73/36/388527336.db2.gz UNOIWKKSJVWMIU-GMTAPVOTSA-N 0 3 223.747 3.884 20 0 BHADHN C[C@@H](c1ccccc1Cl)N1[C@H](C)C[C@H]1C ZINC000516944697 388527637 /nfs/dbraw/zinc/52/76/37/388527637.db2.gz UNOIWKKSJVWMIU-MXWKQRLJSA-N 0 3 223.747 3.884 20 0 BHADHN C[C@H](c1ccccc1Cl)N1[C@H](C)C[C@@H]1C ZINC000516944698 388527592 /nfs/dbraw/zinc/52/75/92/388527592.db2.gz UNOIWKKSJVWMIU-OUAUKWLOSA-N 0 3 223.747 3.884 20 0 BHADHN CN(Cc1ccc(F)c(Cl)c1)CC1(C)CC1 ZINC000516946404 388527648 /nfs/dbraw/zinc/52/76/48/388527648.db2.gz TYUYHSZITNALBT-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CSc1ccc(CN2CCCC[C@@H]2C)s1 ZINC000517001722 388530865 /nfs/dbraw/zinc/53/08/65/388530865.db2.gz QOAMZEHHUFPVED-JTQLQIEISA-N 0 3 241.425 3.844 20 0 BHADHN CSc1ccc(CN2CCCC[C@H]2C)s1 ZINC000517001723 388530971 /nfs/dbraw/zinc/53/09/71/388530971.db2.gz QOAMZEHHUFPVED-SNVBAGLBSA-N 0 3 241.425 3.844 20 0 BHADHN CN(CC1(F)CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000517015906 388532177 /nfs/dbraw/zinc/53/21/77/388532177.db2.gz SDDCQISANNNQQF-CABCVRRESA-N 0 3 247.357 3.757 20 0 BHADHN CN(CC1(F)CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000517015907 388531890 /nfs/dbraw/zinc/53/18/90/388531890.db2.gz SDDCQISANNNQQF-GJZGRUSLSA-N 0 3 247.357 3.757 20 0 BHADHN CN(CC1(F)CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000517015908 388532740 /nfs/dbraw/zinc/53/27/40/388532740.db2.gz SDDCQISANNNQQF-HUUCEWRRSA-N 0 3 247.357 3.757 20 0 BHADHN CN(CC1(F)CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000517015909 388532725 /nfs/dbraw/zinc/53/27/25/388532725.db2.gz SDDCQISANNNQQF-LSDHHAIUSA-N 0 3 247.357 3.757 20 0 BHADHN c1nc(C2CC2)sc1CN1CCCC12CCC2 ZINC000517070133 388537710 /nfs/dbraw/zinc/53/77/10/388537710.db2.gz NROPQYBYRIPJHR-UHFFFAOYSA-N 0 3 248.395 3.539 20 0 BHADHN CCC(CC)N(Cc1cnc(C)s1)C1CC1 ZINC000517124333 388538086 /nfs/dbraw/zinc/53/80/86/388538086.db2.gz CHFSJISXLBOHBA-UHFFFAOYSA-N 0 3 238.400 3.605 20 0 BHADHN Cc1ccc(C(C)(C)CNCC2(F)CC2)c(C)c1 ZINC000517211739 388541053 /nfs/dbraw/zinc/54/10/53/388541053.db2.gz LLASLSPJCAXXQJ-UHFFFAOYSA-N 0 3 249.373 3.673 20 0 BHADHN CC(C)C(C)(C)NCc1cc(F)c(F)cc1F ZINC000517253722 388546131 /nfs/dbraw/zinc/54/61/31/388546131.db2.gz PTCBDUGDOVXMSM-UHFFFAOYSA-N 0 3 245.288 3.628 20 0 BHADHN C[C@@H]1CCCN(c2ccnc3ccccc32)CC1 ZINC000517659152 411194729 /nfs/dbraw/zinc/19/47/29/411194729.db2.gz WSMWMWOIRHQHGE-CYBMUJFWSA-N 0 3 240.350 3.861 20 0 BHADHN C[C@H]1CCCN(c2ccnc3ccccc32)CC1 ZINC000517659155 411194511 /nfs/dbraw/zinc/19/45/11/411194511.db2.gz WSMWMWOIRHQHGE-ZDUSSCGKSA-N 0 3 240.350 3.861 20 0 BHADHN CC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(C)cc1 ZINC000517752675 322894237 /nfs/dbraw/zinc/89/42/37/322894237.db2.gz YKAOPORVNZFSBU-XQQFMLRXSA-N 0 3 239.309 3.689 20 0 BHADHN C[C@H]1C[C@H](C)N1CCSC1CCCCC1 ZINC000517964636 256556754 /nfs/dbraw/zinc/55/67/54/256556754.db2.gz HEAGLTFIZFBZJT-RYUDHWBXSA-N 0 3 227.417 3.535 20 0 BHADHN C[C@@H]1C[C@H](C)N1CCSC1CCCCC1 ZINC000517964637 384595713 /nfs/dbraw/zinc/59/57/13/384595713.db2.gz HEAGLTFIZFBZJT-TXEJJXNPSA-N 0 3 227.417 3.535 20 0 BHADHN C[C@@H]1C[C@@H](C)N1CCSC1CCCCC1 ZINC000517964638 384596022 /nfs/dbraw/zinc/59/60/22/384596022.db2.gz HEAGLTFIZFBZJT-VXGBXAGGSA-N 0 3 227.417 3.535 20 0 BHADHN CCCCN(CC)c1ccnc2ccccc21 ZINC000518351978 384975060 /nfs/dbraw/zinc/97/50/60/384975060.db2.gz JRSYEWWGHXCGGD-UHFFFAOYSA-N 0 3 228.339 3.861 20 0 BHADHN CN(Cc1ccccc1)c1ccnc2ccccc21 ZINC000518352683 384973410 /nfs/dbraw/zinc/97/34/10/384973410.db2.gz MFZGXKZBKHYJTR-UHFFFAOYSA-N 0 3 248.329 3.871 20 0 BHADHN Cc1ccnc([C@H](C)NC2CC(C(C)(C)C)C2)c1 ZINC000518407634 385069063 /nfs/dbraw/zinc/06/90/63/385069063.db2.gz HBJXJZUJIRVPOF-HSBZDZAISA-N 0 3 246.398 3.865 20 0 BHADHN Cc1ccnc([C@@H](C)NC2CC(C(C)(C)C)C2)c1 ZINC000518407635 256571692 /nfs/dbraw/zinc/57/16/92/256571692.db2.gz HBJXJZUJIRVPOF-IYXRBSQSSA-N 0 3 246.398 3.865 20 0 BHADHN Cc1cccc(CN(C)Cc2cccc(C)c2)c1 ZINC000518459520 383903023 /nfs/dbraw/zinc/90/30/23/383903023.db2.gz SGPIYGFIQLYXLP-UHFFFAOYSA-N 0 3 239.362 3.935 20 0 BHADHN COc1ccccc1C[C@H](C)N(C)CC=C(C)C ZINC000518607952 384073892 /nfs/dbraw/zinc/07/38/92/384073892.db2.gz VNNAVSSGPKSDKN-AWEZNQCLSA-N 0 3 247.382 3.524 20 0 BHADHN COc1ccccc1C[C@@H](C)N(C)CC=C(C)C ZINC000518607953 384073759 /nfs/dbraw/zinc/07/37/59/384073759.db2.gz VNNAVSSGPKSDKN-CQSZACIVSA-N 0 3 247.382 3.524 20 0 BHADHN Cc1ccc(CNC[C@@H](C)c2ccc(F)cc2)o1 ZINC000518775966 385241686 /nfs/dbraw/zinc/24/16/86/385241686.db2.gz NHWWTJHVDPXTTI-LLVKDONJSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1ccc(CNC[C@H](C)c2ccc(F)cc2)o1 ZINC000518775967 385242924 /nfs/dbraw/zinc/24/29/24/385242924.db2.gz NHWWTJHVDPXTTI-NSHDSACASA-N 0 3 247.313 3.620 20 0 BHADHN Cc1nsc(C)c1CN(C(C)C)C1CCC1 ZINC000518790651 259392233 /nfs/dbraw/zinc/39/22/33/259392233.db2.gz JSWGNPKJHAESGL-UHFFFAOYSA-N 0 3 238.400 3.523 20 0 BHADHN FC(F)c1ccc(CN[C@@H]2CCC[C@@H]2F)cc1 ZINC000518936833 256638769 /nfs/dbraw/zinc/63/87/69/256638769.db2.gz FQAQKJCZFKFEIQ-NWDGAFQWSA-N 0 3 243.272 3.604 20 0 BHADHN CC(C)Oc1ccccc1CN1CCC(C)CC1 ZINC000519042864 386994520 /nfs/dbraw/zinc/99/45/20/386994520.db2.gz GPNCNYUUKSIFOI-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN CCN(Cc1ccccc1OC(C)C)C(C)C ZINC000519051737 386993656 /nfs/dbraw/zinc/99/36/56/386993656.db2.gz RVARPGOAYRWFMI-UHFFFAOYSA-N 0 3 235.371 3.704 20 0 BHADHN CC(C)O[C@H](CN1[C@H](C)C[C@H]1C)c1ccccc1 ZINC000519059933 386996931 /nfs/dbraw/zinc/99/69/31/386996931.db2.gz QBVRSQMJVBDDJO-IIAWOOMASA-N 0 3 247.382 3.635 20 0 BHADHN CC(C)O[C@H](CN1[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000519059934 386995241 /nfs/dbraw/zinc/99/52/41/386995241.db2.gz QBVRSQMJVBDDJO-IJEWVQPXSA-N 0 3 247.382 3.635 20 0 BHADHN CC(C)O[C@@H](CN1[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000519059935 386995669 /nfs/dbraw/zinc/99/56/69/386995669.db2.gz QBVRSQMJVBDDJO-LZWOXQAQSA-N 0 3 247.382 3.635 20 0 BHADHN CC(C)O[C@H](CN1[C@@H](C)C[C@@H]1C)c1ccccc1 ZINC000519059936 386995254 /nfs/dbraw/zinc/99/52/54/386995254.db2.gz QBVRSQMJVBDDJO-OFQRWUPVSA-N 0 3 247.382 3.635 20 0 BHADHN CC(C)Oc1ccccc1CN1CCCCCC1 ZINC000519066109 386998085 /nfs/dbraw/zinc/99/80/85/386998085.db2.gz PPLBFELCWBBRAX-UHFFFAOYSA-N 0 3 247.382 3.850 20 0 BHADHN Fc1ccccc1CN1CCC2(CCCC2)CC1 ZINC000519231846 387037561 /nfs/dbraw/zinc/03/75/61/387037561.db2.gz GTDGLKJDQAWPQO-UHFFFAOYSA-N 0 3 247.357 3.982 20 0 BHADHN CC(C)N(Cc1ccccc1F)CC1(C)CC1 ZINC000519273644 387049587 /nfs/dbraw/zinc/04/95/87/387049587.db2.gz TVPPQIIQFBGMFJ-UHFFFAOYSA-N 0 3 235.346 3.836 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H](F)C2)o1 ZINC000519399180 386430869 /nfs/dbraw/zinc/43/08/69/386430869.db2.gz AAGRKMOMGJXOJR-QJPTWQEYSA-N 0 3 225.307 3.519 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@H](F)C2)o1 ZINC000519399181 386430111 /nfs/dbraw/zinc/43/01/11/386430111.db2.gz AAGRKMOMGJXOJR-SDDRHHMPSA-N 0 3 225.307 3.519 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CCC[C@H](F)C2)o1 ZINC000519399182 386429617 /nfs/dbraw/zinc/42/96/17/386429617.db2.gz AAGRKMOMGJXOJR-SRVKXCTJSA-N 0 3 225.307 3.519 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CCC[C@@H](F)C2)o1 ZINC000519399183 386431721 /nfs/dbraw/zinc/43/17/21/386431721.db2.gz AAGRKMOMGJXOJR-TUAOUCFPSA-N 0 3 225.307 3.519 20 0 BHADHN CC(C)=CCN(C)C/C(C)=C/c1ccccc1 ZINC000519414106 323198495 /nfs/dbraw/zinc/19/84/95/323198495.db2.gz UTUBMIKHIJQTOV-NTCAYCPXSA-N 0 3 229.367 3.988 20 0 BHADHN CC(C)=CCN(C)C/C(C)=C\c1ccccc1 ZINC000519414107 323198466 /nfs/dbraw/zinc/19/84/66/323198466.db2.gz UTUBMIKHIJQTOV-QINSGFPZSA-N 0 3 229.367 3.988 20 0 BHADHN CC(C)[C@H](C)N(C)Cc1ccc(F)cc1Cl ZINC000519559323 386491774 /nfs/dbraw/zinc/49/17/74/386491774.db2.gz XPETWKOTRBZKDG-JTQLQIEISA-N 0 3 243.753 3.955 20 0 BHADHN CC(C)[C@@H](C)N(C)Cc1ccc(F)cc1Cl ZINC000519559389 386491451 /nfs/dbraw/zinc/49/14/51/386491451.db2.gz XPETWKOTRBZKDG-SNVBAGLBSA-N 0 3 243.753 3.955 20 0 BHADHN Cc1cc(CN2CCC(C)=C(C)C2)cc(C)c1O ZINC000519568097 386490374 /nfs/dbraw/zinc/49/03/74/386490374.db2.gz PKFWXRSQQGUYGB-UHFFFAOYSA-N 0 3 245.366 3.551 20 0 BHADHN Cc1cccc(Cl)c1CNC1(C2CC2)CC1 ZINC000519579729 386494906 /nfs/dbraw/zinc/49/49/06/386494906.db2.gz RBYLDOVTFYMKQP-UHFFFAOYSA-N 0 3 235.758 3.681 20 0 BHADHN CCCC[C@@H](CC)N[C@H](C)c1cscn1 ZINC000519767452 386551540 /nfs/dbraw/zinc/55/15/40/386551540.db2.gz GYRBTJGWYQASCM-GHMZBOCLSA-N 0 3 226.389 3.763 20 0 BHADHN CCCC[C@H](CC)N[C@H](C)c1cscn1 ZINC000519767590 386552823 /nfs/dbraw/zinc/55/28/23/386552823.db2.gz GYRBTJGWYQASCM-MNOVXSKESA-N 0 3 226.389 3.763 20 0 BHADHN CCCC[C@H](CC)N[C@@H](C)c1cscn1 ZINC000519767593 256659564 /nfs/dbraw/zinc/65/95/64/256659564.db2.gz GYRBTJGWYQASCM-QWRGUYRKSA-N 0 3 226.389 3.763 20 0 BHADHN CCCC[C@@H](CC)N[C@@H](C)c1cscn1 ZINC000519767600 386551744 /nfs/dbraw/zinc/55/17/44/386551744.db2.gz GYRBTJGWYQASCM-WDEREUQCSA-N 0 3 226.389 3.763 20 0 BHADHN CCc1cccc(CNCc2sccc2C)c1 ZINC000519767637 256659725 /nfs/dbraw/zinc/65/97/25/256659725.db2.gz WNXOINPBEGFCFR-UHFFFAOYSA-N 0 3 245.391 3.909 20 0 BHADHN C[C@@H]1C[C@H]1CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000519789091 386556945 /nfs/dbraw/zinc/55/69/45/386556945.db2.gz NEPIAVONEWTBSJ-MDZLAQPJSA-N 0 3 235.396 3.787 20 0 BHADHN C[C@@H]1C[C@@H]1CN1CC(C)(C)[C@H]1c1cccs1 ZINC000519789095 386557111 /nfs/dbraw/zinc/55/71/11/386557111.db2.gz NEPIAVONEWTBSJ-NQBHXWOUSA-N 0 3 235.396 3.787 20 0 BHADHN C[C@@H]1C[C@H]1CN1CC(C)(C)[C@H]1c1cccs1 ZINC000519789098 386557284 /nfs/dbraw/zinc/55/72/84/386557284.db2.gz NEPIAVONEWTBSJ-NTZNESFSSA-N 0 3 235.396 3.787 20 0 BHADHN C[C@@H]1C[C@@H]1CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000519789100 256660197 /nfs/dbraw/zinc/66/01/97/256660197.db2.gz NEPIAVONEWTBSJ-WZRBSPASSA-N 0 3 235.396 3.787 20 0 BHADHN CCC[C@@H](NCc1ncccc1F)C(C)(C)C ZINC000519805952 386555713 /nfs/dbraw/zinc/55/57/13/386555713.db2.gz TVDFCJXTJIIPCA-CYBMUJFWSA-N 0 3 238.350 3.525 20 0 BHADHN CCC[C@H](NCc1ncccc1F)C(C)(C)C ZINC000519805971 386554908 /nfs/dbraw/zinc/55/49/08/386554908.db2.gz TVDFCJXTJIIPCA-ZDUSSCGKSA-N 0 3 238.350 3.525 20 0 BHADHN CCc1cccc(CNCc2ccsc2)c1 ZINC000519821759 386562785 /nfs/dbraw/zinc/56/27/85/386562785.db2.gz FVTMMCLZQOVCMH-UHFFFAOYSA-N 0 3 231.364 3.600 20 0 BHADHN C[C@@H]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000519870385 386569451 /nfs/dbraw/zinc/56/94/51/386569451.db2.gz GMZGZVOERRVMLF-GFCCVEGCSA-N 0 3 237.774 3.962 20 0 BHADHN CCCN(Cc1nc2ccccc2o1)CC(C)C ZINC000519906579 386580330 /nfs/dbraw/zinc/58/03/30/386580330.db2.gz KOMUCMLUNXNXAQ-UHFFFAOYSA-N 0 3 246.354 3.696 20 0 BHADHN Cc1ccc([C@H](C)N(C)CCOC(C)(C)C)cc1 ZINC000519907880 386581586 /nfs/dbraw/zinc/58/15/86/386581586.db2.gz MTGGOWQKPQHLQZ-AWEZNQCLSA-N 0 3 249.398 3.803 20 0 BHADHN COCCN(CC=C(C)C)[C@@H](C)c1ccccc1 ZINC000519917661 583546773 /nfs/dbraw/zinc/54/67/73/583546773.db2.gz BTUYSAHYONIPHN-HNNXBMFYSA-N 0 3 247.382 3.662 20 0 BHADHN COCCN(CC=C(C)C)[C@H](C)c1ccccc1 ZINC000519917662 583546579 /nfs/dbraw/zinc/54/65/79/583546579.db2.gz BTUYSAHYONIPHN-OAHLLOKOSA-N 0 3 247.382 3.662 20 0 BHADHN Cc1cc(OCCN(C)C2CC2)ccc1C(C)C ZINC000519968929 384237532 /nfs/dbraw/zinc/23/75/32/384237532.db2.gz XDPKHGXWTVPDGR-UHFFFAOYSA-N 0 3 247.382 3.591 20 0 BHADHN CC(C)=CCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000520042090 383837234 /nfs/dbraw/zinc/83/72/34/383837234.db2.gz HVBSKKMJAJISSM-INIZCTEOSA-N 0 3 247.357 3.799 20 0 BHADHN CC(C)=CCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000520042091 383835370 /nfs/dbraw/zinc/83/53/70/383835370.db2.gz HVBSKKMJAJISSM-MRXNPFEDSA-N 0 3 247.357 3.799 20 0 BHADHN CC(C)=CCN(Cc1ccccc1C)C1CC1 ZINC000520168936 386592697 /nfs/dbraw/zinc/59/26/97/386592697.db2.gz IVMLUHVJOWXWCQ-UHFFFAOYSA-N 0 3 229.367 3.926 20 0 BHADHN CCCN(CC)Cc1ccc(F)cc1Cl ZINC000520169066 386592391 /nfs/dbraw/zinc/59/23/91/386592391.db2.gz RNMKBKOOMCUEMQ-UHFFFAOYSA-N 0 3 229.726 3.711 20 0 BHADHN CCCN(CC)Cc1ccccc1OC(C)C ZINC000520169604 386592250 /nfs/dbraw/zinc/59/22/50/386592250.db2.gz ZZMBAQFOAJTPNP-UHFFFAOYSA-N 0 3 235.371 3.706 20 0 BHADHN CCC1CCN(C/C=C/c2ccccc2)CC1 ZINC000520273322 256670489 /nfs/dbraw/zinc/67/04/89/256670489.db2.gz IDLKRTASJWLLJV-RMKNXTFCSA-N 0 3 229.367 3.822 20 0 BHADHN CCC1CCN(C/C=C\c2ccccc2)CC1 ZINC000520273323 386641187 /nfs/dbraw/zinc/64/11/87/386641187.db2.gz IDLKRTASJWLLJV-TWGQIWQCSA-N 0 3 229.367 3.822 20 0 BHADHN Cc1nc2ccc(CN3CCC3(C)C)cc2s1 ZINC000520388061 386664138 /nfs/dbraw/zinc/66/41/38/386664138.db2.gz XUAIJKMVHBJHDF-UHFFFAOYSA-N 0 3 246.379 3.589 20 0 BHADHN C[C@H]1CCC[C@@H](N(C)Cc2ccccc2F)C1 ZINC000520527291 386692748 /nfs/dbraw/zinc/69/27/48/386692748.db2.gz WNGCUUTUGZSMHP-GXTWGEPZSA-N 0 3 235.346 3.836 20 0 BHADHN C[C@H]1CCC[C@H](N(C)Cc2ccccc2F)C1 ZINC000520527293 386690504 /nfs/dbraw/zinc/69/05/04/386690504.db2.gz WNGCUUTUGZSMHP-JSGCOSHPSA-N 0 3 235.346 3.836 20 0 BHADHN C[C@@H]1CCC[C@H](N(C)Cc2ccccc2F)C1 ZINC000520527294 386690612 /nfs/dbraw/zinc/69/06/12/386690612.db2.gz WNGCUUTUGZSMHP-OCCSQVGLSA-N 0 3 235.346 3.836 20 0 BHADHN C[C@@H]1CCC[C@@H](N(C)Cc2ccccc2F)C1 ZINC000520527295 386690930 /nfs/dbraw/zinc/69/09/30/386690930.db2.gz WNGCUUTUGZSMHP-TZMCWYRMSA-N 0 3 235.346 3.836 20 0 BHADHN CC(C)Oc1ccccc1CN1C2CCC1CC2 ZINC000520630687 386709552 /nfs/dbraw/zinc/70/95/52/386709552.db2.gz RGCNEDQUZNFALL-UHFFFAOYSA-N 0 3 245.366 3.601 20 0 BHADHN CCCN(CC)Cc1cc(Cl)ccc1OC ZINC000521187622 384873980 /nfs/dbraw/zinc/87/39/80/384873980.db2.gz TYMHUIOAPPENKK-UHFFFAOYSA-N 0 3 241.762 3.581 20 0 BHADHN Cc1ccccc1[C@H](C)N(C)CCOC(C)(C)C ZINC000521188317 324178707 /nfs/dbraw/zinc/17/87/07/324178707.db2.gz ZLSASXNOMNEIGE-AWEZNQCLSA-N 0 3 249.398 3.803 20 0 BHADHN Cc1ccccc1[C@@H](C)N(C)CCOC(C)(C)C ZINC000521188318 388564280 /nfs/dbraw/zinc/56/42/80/388564280.db2.gz ZLSASXNOMNEIGE-CQSZACIVSA-N 0 3 249.398 3.803 20 0 BHADHN CC(C)Oc1ccccc1CN(C(C)C)C1CC1 ZINC000521422815 385802387 /nfs/dbraw/zinc/80/23/87/385802387.db2.gz YSTIVYNPOAXGQD-UHFFFAOYSA-N 0 3 247.382 3.847 20 0 BHADHN CC(C)C1CC(N[C@@H]2c3ccccc3O[C@H]2C)C1 ZINC000521514273 388612924 /nfs/dbraw/zinc/61/29/24/388612924.db2.gz QRVOZYQNTXWVLG-ITDKRANNSA-N 0 3 245.366 3.533 20 0 BHADHN CC(C)C1CC(N[C@H]2c3ccccc3O[C@@H]2C)C1 ZINC000521514274 388612906 /nfs/dbraw/zinc/61/29/06/388612906.db2.gz QRVOZYQNTXWVLG-NEQJSVFRSA-N 0 3 245.366 3.533 20 0 BHADHN CC(C)C1CC(N[C@@H]2c3ccccc3O[C@@H]2C)C1 ZINC000521514275 388613060 /nfs/dbraw/zinc/61/30/60/388613060.db2.gz QRVOZYQNTXWVLG-OCLKLICZSA-N 0 3 245.366 3.533 20 0 BHADHN CC(C)C1CC(N[C@H]2c3ccccc3O[C@H]2C)C1 ZINC000521514276 388612535 /nfs/dbraw/zinc/61/25/35/388612535.db2.gz QRVOZYQNTXWVLG-PIISCBOPSA-N 0 3 245.366 3.533 20 0 BHADHN Cc1cc(N(C)CC(C)C)c2ccccc2n1 ZINC000521565118 388617908 /nfs/dbraw/zinc/61/79/08/388617908.db2.gz RBUBUVYEBJORPJ-UHFFFAOYSA-N 0 3 228.339 3.635 20 0 BHADHN C[C@@H]1CCCN(Cc2cccc(Cl)c2)CC1 ZINC000521714371 388626132 /nfs/dbraw/zinc/62/61/32/388626132.db2.gz ARFUZDBKOZEFCJ-GFCCVEGCSA-N 0 3 237.774 3.962 20 0 BHADHN CCCN(CC)Cc1ccccc1OC(F)F ZINC000521814573 388629146 /nfs/dbraw/zinc/62/91/46/388629146.db2.gz CNJCIUGNHQLDSL-UHFFFAOYSA-N 0 3 243.297 3.520 20 0 BHADHN CCCN(Cc1cccc(F)c1F)CC(C)C ZINC000521819970 388630116 /nfs/dbraw/zinc/63/01/16/388630116.db2.gz PDSCNFRXPXUNTR-UHFFFAOYSA-N 0 3 241.325 3.833 20 0 BHADHN CCN(CCOC(C)(C)C)Cc1ccc(C)cc1 ZINC000521859897 388635226 /nfs/dbraw/zinc/63/52/26/388635226.db2.gz YELUHJVEXNSDAR-UHFFFAOYSA-N 0 3 249.398 3.632 20 0 BHADHN CCN(CC=C(C)C)Cc1ccc(C)cc1 ZINC000521860714 388635851 /nfs/dbraw/zinc/63/58/51/388635851.db2.gz HMLJHKHPUPZTLL-UHFFFAOYSA-N 0 3 217.356 3.783 20 0 BHADHN CCC1CCN(Cc2ccccc2Cl)CC1 ZINC000521888732 388639984 /nfs/dbraw/zinc/63/99/84/388639984.db2.gz KWNXPESJGSMSFK-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN CC(C)C(CN(C)Cc1ccoc1)C(C)C ZINC000521919908 388667241 /nfs/dbraw/zinc/66/72/41/388667241.db2.gz VUWMPGZHXSTBJX-UHFFFAOYSA-N 0 3 223.360 3.640 20 0 BHADHN CC1(C)CCN(c2ccnc3ccccc32)CC1 ZINC000521931286 388668451 /nfs/dbraw/zinc/66/84/51/388668451.db2.gz ZJCSRZLDGRDPBB-UHFFFAOYSA-N 0 3 240.350 3.861 20 0 BHADHN CN(CC1CCCC1)c1ccnc2ccccc21 ZINC000521934305 388668199 /nfs/dbraw/zinc/66/81/99/388668199.db2.gz CYOQKCJZDFUBIW-UHFFFAOYSA-N 0 3 240.350 3.861 20 0 BHADHN C[C@H]1C[C@H](c2ccccc2)N(CC2(F)CC2)C1 ZINC000521942238 491116624 /nfs/dbraw/zinc/11/66/24/491116624.db2.gz DPHFGRUQYDVFIP-GXTWGEPZSA-N 0 3 233.330 3.572 20 0 BHADHN C[C@H]1C[C@@H](c2ccccc2)N(CC2(F)CC2)C1 ZINC000521942239 491085273 /nfs/dbraw/zinc/08/52/73/491085273.db2.gz DPHFGRUQYDVFIP-JSGCOSHPSA-N 0 3 233.330 3.572 20 0 BHADHN C[C@@H]1C[C@@H](c2ccccc2)N(CC2(F)CC2)C1 ZINC000521942240 491085294 /nfs/dbraw/zinc/08/52/94/491085294.db2.gz DPHFGRUQYDVFIP-OCCSQVGLSA-N 0 3 233.330 3.572 20 0 BHADHN C[C@@H]1C[C@H](c2ccccc2)N(CC2(F)CC2)C1 ZINC000521942241 491085268 /nfs/dbraw/zinc/08/52/68/491085268.db2.gz DPHFGRUQYDVFIP-TZMCWYRMSA-N 0 3 233.330 3.572 20 0 BHADHN Cc1cc(N(C)CC2CCC2)c2ccccc2n1 ZINC000521969172 398104099 /nfs/dbraw/zinc/10/40/99/398104099.db2.gz DJBXDSRLBFWIAO-UHFFFAOYSA-N 0 3 240.350 3.780 20 0 BHADHN CC(C)[C@H](N[C@H]1CCC[C@H]1F)c1ccccc1 ZINC000522018825 388674905 /nfs/dbraw/zinc/67/49/05/388674905.db2.gz GVRBAUHOVAKJQD-ILXRZTDVSA-N 0 3 235.346 3.864 20 0 BHADHN CC(C)[C@@H](N[C@H]1CCC[C@H]1F)c1ccccc1 ZINC000522018826 388674983 /nfs/dbraw/zinc/67/49/83/388674983.db2.gz GVRBAUHOVAKJQD-QLFBSQMISA-N 0 3 235.346 3.864 20 0 BHADHN CCC(CC)(CC)CN[C@H](C)c1cc(C)on1 ZINC000522019260 388675322 /nfs/dbraw/zinc/67/53/22/388675322.db2.gz ZZCDHFKSKWKECS-GFCCVEGCSA-N 0 3 238.375 3.850 20 0 BHADHN CCC(CC)(CC)CN[C@@H](C)c1cc(C)on1 ZINC000522019261 388675299 /nfs/dbraw/zinc/67/52/99/388675299.db2.gz ZZCDHFKSKWKECS-LBPRGKRZSA-N 0 3 238.375 3.850 20 0 BHADHN CN(Cc1ccc(F)cc1Cl)CC1CCC1 ZINC000522068957 388683103 /nfs/dbraw/zinc/68/31/03/388683103.db2.gz SHMSTQNGWYXDCI-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CC[C@@H]1CCCN1Cc1ccc(F)cc1Cl ZINC000522082989 324199892 /nfs/dbraw/zinc/19/98/92/324199892.db2.gz YZNJNIIUFZZRID-GFCCVEGCSA-N 0 3 241.737 3.854 20 0 BHADHN CC[C@H]1CCCN1Cc1ccc(F)cc1Cl ZINC000522082990 324200116 /nfs/dbraw/zinc/20/01/16/324200116.db2.gz YZNJNIIUFZZRID-LBPRGKRZSA-N 0 3 241.737 3.854 20 0 BHADHN CCOc1ccc(CN(C)[C@H]2C=CCCC2)cc1 ZINC000522209312 388721899 /nfs/dbraw/zinc/72/18/99/388721899.db2.gz UFGXXTQFUGPNOS-HNNXBMFYSA-N 0 3 245.366 3.626 20 0 BHADHN CCOc1ccc(CN(C)[C@@H]2C=CCCC2)cc1 ZINC000522209313 388721484 /nfs/dbraw/zinc/72/14/84/388721484.db2.gz UFGXXTQFUGPNOS-OAHLLOKOSA-N 0 3 245.366 3.626 20 0 BHADHN C[C@@H]1CCN([C@@H]2C=CCCC2)[C@H]2CCCC[C@H]12 ZINC000522209638 388721359 /nfs/dbraw/zinc/72/13/59/388721359.db2.gz LZXUSCLQWCUJCJ-FPCVCCKLSA-N 0 3 233.399 3.996 20 0 BHADHN C[C@@H]1CCN([C@@H]2C=CCCC2)[C@@H]2CCCC[C@H]12 ZINC000522209639 388721648 /nfs/dbraw/zinc/72/16/48/388721648.db2.gz LZXUSCLQWCUJCJ-KLHDSHLOSA-N 0 3 233.399 3.996 20 0 BHADHN C[C@@H]1CCN([C@@H]2C=CCCC2)[C@@H]2CCCC[C@@H]12 ZINC000522209640 388721546 /nfs/dbraw/zinc/72/15/46/388721546.db2.gz LZXUSCLQWCUJCJ-LVQVYYBASA-N 0 3 233.399 3.996 20 0 BHADHN C[C@@H]1CCN([C@@H]2C=CCCC2)[C@H]2CCCC[C@@H]12 ZINC000522209641 388721995 /nfs/dbraw/zinc/72/19/95/388721995.db2.gz LZXUSCLQWCUJCJ-WCVJEAGWSA-N 0 3 233.399 3.996 20 0 BHADHN COc1c(C)cc(CN(C)CC=C(C)C)cc1C ZINC000522341897 388751563 /nfs/dbraw/zinc/75/15/63/388751563.db2.gz DHSCCGVYQMVVPD-UHFFFAOYSA-N 0 3 247.382 3.710 20 0 BHADHN CCc1ccc(CCN(C)Cc2ccco2)cc1 ZINC000522448119 388754942 /nfs/dbraw/zinc/75/49/42/388754942.db2.gz OZPABHKHBMTCPZ-UHFFFAOYSA-N 0 3 243.350 3.517 20 0 BHADHN Cc1ccc(CCNCc2ccc(Cl)o2)cc1 ZINC000522536347 259633981 /nfs/dbraw/zinc/63/39/81/259633981.db2.gz KNGUCTNVPVJDDM-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN CCCCCN1CCc2sccc2[C@H]1C ZINC000522776567 385868005 /nfs/dbraw/zinc/86/80/05/385868005.db2.gz NZIKLPHNENNXBB-LLVKDONJSA-N 0 3 223.385 3.857 20 0 BHADHN CCCCCN1CCc2sccc2[C@@H]1C ZINC000522776568 385868902 /nfs/dbraw/zinc/86/89/02/385868902.db2.gz NZIKLPHNENNXBB-NSHDSACASA-N 0 3 223.385 3.857 20 0 BHADHN Cc1cccc(C)c1CN(C)Cc1cccs1 ZINC000523437102 398113587 /nfs/dbraw/zinc/11/35/87/398113587.db2.gz VPOFVLLPJJJQLE-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CCN(Cc1ccc(F)cc1Cl)C1CCC1 ZINC000523440563 388840181 /nfs/dbraw/zinc/84/01/81/388840181.db2.gz PCMBNXOCGDVJRT-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CCN(Cc1ccccc1OC(C)C)C1CCC1 ZINC000523441079 388839483 /nfs/dbraw/zinc/83/94/83/388839483.db2.gz AIBNEIHTWOHOKK-UHFFFAOYSA-N 0 3 247.382 3.848 20 0 BHADHN Cc1ccc(C)c([C@H](C)N(C)CCOC(C)C)c1 ZINC000523441106 388840117 /nfs/dbraw/zinc/84/01/17/388840117.db2.gz BRNMACFQBNNEEU-HNNXBMFYSA-N 0 3 249.398 3.721 20 0 BHADHN Cc1ccc(C)c([C@@H](C)N(C)CCOC(C)C)c1 ZINC000523441107 388839025 /nfs/dbraw/zinc/83/90/25/388839025.db2.gz BRNMACFQBNNEEU-OAHLLOKOSA-N 0 3 249.398 3.721 20 0 BHADHN CC[C@@H](C)CN(C)Cc1ccccc1Cl ZINC000523606567 324209105 /nfs/dbraw/zinc/20/91/05/324209105.db2.gz DTNPLCNYCFASBC-LLVKDONJSA-N 0 3 225.763 3.818 20 0 BHADHN CC[C@H](C)CN(C)Cc1ccccc1Cl ZINC000523606568 324209205 /nfs/dbraw/zinc/20/92/05/324209205.db2.gz DTNPLCNYCFASBC-NSHDSACASA-N 0 3 225.763 3.818 20 0 BHADHN CC[C@@H](c1ccccc1)N1C[C@@H](C)O[C@H](CC)C1 ZINC000523607691 324209201 /nfs/dbraw/zinc/20/92/01/324209201.db2.gz QKXAWACBDNAKRN-BMFZPTHFSA-N 0 3 247.382 3.637 20 0 BHADHN CC[C@H](c1ccccc1)N1C[C@@H](C)O[C@H](CC)C1 ZINC000523607692 324209197 /nfs/dbraw/zinc/20/91/97/324209197.db2.gz QKXAWACBDNAKRN-FVQBIDKESA-N 0 3 247.382 3.637 20 0 BHADHN CC[C@@H](c1ccccc1)N1C[C@@H](CC)O[C@@H](C)C1 ZINC000523607693 324209188 /nfs/dbraw/zinc/20/91/88/324209188.db2.gz QKXAWACBDNAKRN-IMJJTQAJSA-N 0 3 247.382 3.637 20 0 BHADHN CC[C@H](c1ccccc1)N1C[C@@H](CC)O[C@@H](C)C1 ZINC000523607694 324209272 /nfs/dbraw/zinc/20/92/72/324209272.db2.gz QKXAWACBDNAKRN-NUEKZKHPSA-N 0 3 247.382 3.637 20 0 BHADHN CC(C)Oc1ccccc1CN(C)CC1CCC1 ZINC000523636739 388847755 /nfs/dbraw/zinc/84/77/55/388847755.db2.gz JKEVRFLGWIPVKF-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN CC(C)=CCN(CCc1cccc(F)c1)C1CC1 ZINC000523669728 388849633 /nfs/dbraw/zinc/84/96/33/388849633.db2.gz OQEWILVSNSZOAB-UHFFFAOYSA-N 0 3 247.357 3.799 20 0 BHADHN CC(C)=CCN1CCSC[C@H]1c1ccccc1 ZINC000523760885 388859909 /nfs/dbraw/zinc/85/99/09/388859909.db2.gz OLHIUZCUGJZORA-HNNXBMFYSA-N 0 3 247.407 3.743 20 0 BHADHN CC(C)=CCN1CCSC[C@@H]1c1ccccc1 ZINC000523760886 388859339 /nfs/dbraw/zinc/85/93/39/388859339.db2.gz OLHIUZCUGJZORA-OAHLLOKOSA-N 0 3 247.407 3.743 20 0 BHADHN CCCCN1CCSC[C@H]1c1ccc(C)cc1 ZINC000523862576 388862016 /nfs/dbraw/zinc/86/20/16/388862016.db2.gz WVDMFCFKUIDLJR-HNNXBMFYSA-N 0 3 249.423 3.885 20 0 BHADHN CCCCN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000523862577 388863013 /nfs/dbraw/zinc/86/30/13/388863013.db2.gz WVDMFCFKUIDLJR-OAHLLOKOSA-N 0 3 249.423 3.885 20 0 BHADHN COc1ccc(C)cc1CN1CCC(C)(C)CC1 ZINC000524025933 388346234 /nfs/dbraw/zinc/34/62/34/388346234.db2.gz PICJIJXGULNUMO-UHFFFAOYSA-N 0 3 247.382 3.626 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1C2CCC1CC2 ZINC000524081996 388347065 /nfs/dbraw/zinc/34/70/65/388347065.db2.gz MLDFNQBTRUIWLU-GCVQQVDUSA-N 0 3 237.293 3.653 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1C2CCC1CC2 ZINC000524081997 388346849 /nfs/dbraw/zinc/34/68/49/388346849.db2.gz MLDFNQBTRUIWLU-OIKLOGQESA-N 0 3 237.293 3.653 20 0 BHADHN CCCCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000524156919 388347933 /nfs/dbraw/zinc/34/79/33/388347933.db2.gz RGEDEMGUUBSKKD-JTQLQIEISA-N 0 3 227.298 3.758 20 0 BHADHN CCCCN(C)[C@H](C)c1cc(F)ccc1F ZINC000524156920 388347951 /nfs/dbraw/zinc/34/79/51/388347951.db2.gz RGEDEMGUUBSKKD-SNVBAGLBSA-N 0 3 227.298 3.758 20 0 BHADHN CN(CCCC(C)(C)C)Cc1cccc(O)c1 ZINC000524457824 388361861 /nfs/dbraw/zinc/36/18/61/388361861.db2.gz BPJDZUGBJLPOKO-UHFFFAOYSA-N 0 3 235.371 3.650 20 0 BHADHN C(=C/c1ccccc1)\CNC1(c2ccccc2)CC1 ZINC000524687183 259675130 /nfs/dbraw/zinc/67/51/30/259675130.db2.gz BKVQAKGRKYIOAV-JXMROGBWSA-N 0 3 249.357 3.979 20 0 BHADHN C(=C\c1ccccc1)\CNC1(c2ccccc2)CC1 ZINC000524687184 388374862 /nfs/dbraw/zinc/37/48/62/388374862.db2.gz BKVQAKGRKYIOAV-YFHOEESVSA-N 0 3 249.357 3.979 20 0 BHADHN CCC[C@]1(C)CCCN(CCC(F)(F)F)C1 ZINC000524717384 259675954 /nfs/dbraw/zinc/67/59/54/259675954.db2.gz CSLGJMIBROLNCD-LLVKDONJSA-N 0 3 237.309 3.841 20 0 BHADHN CCC[C@@]1(C)CCCN(CCC(F)(F)F)C1 ZINC000524717385 388375764 /nfs/dbraw/zinc/37/57/64/388375764.db2.gz CSLGJMIBROLNCD-NSHDSACASA-N 0 3 237.309 3.841 20 0 BHADHN CN(CCC1CC1)Cc1ccccc1Cl ZINC000524754629 388407153 /nfs/dbraw/zinc/40/71/53/388407153.db2.gz PDORHAPPMUZNON-UHFFFAOYSA-N 0 3 223.747 3.572 20 0 BHADHN C[C@@H]1c2c(F)cccc2CCN1CCC1CC1 ZINC000524755736 388408182 /nfs/dbraw/zinc/40/81/82/388408182.db2.gz SOTJIUJTWWZQLO-LLVKDONJSA-N 0 3 233.330 3.545 20 0 BHADHN C[C@H]1c2c(F)cccc2CCN1CCC1CC1 ZINC000524755737 388408267 /nfs/dbraw/zinc/40/82/67/388408267.db2.gz SOTJIUJTWWZQLO-NSHDSACASA-N 0 3 233.330 3.545 20 0 BHADHN CCc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000524756148 388408302 /nfs/dbraw/zinc/40/83/02/388408302.db2.gz MEJOSPVWJDLVHG-BETUJISGSA-N 0 3 249.423 3.575 20 0 BHADHN CCc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1 ZINC000524756149 388406773 /nfs/dbraw/zinc/40/67/73/388406773.db2.gz MEJOSPVWJDLVHG-CHWSQXEVSA-N 0 3 249.423 3.575 20 0 BHADHN CCc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1 ZINC000524756150 388406549 /nfs/dbraw/zinc/40/65/49/388406549.db2.gz MEJOSPVWJDLVHG-STQMWFEESA-N 0 3 249.423 3.575 20 0 BHADHN C[C@@H]1CN(C/C=C\c2ccccc2)C[C@@H](C)S1 ZINC000524757174 388407801 /nfs/dbraw/zinc/40/78/01/388407801.db2.gz GTHJHVJECLNTPI-MVUUYHCISA-N 0 3 247.407 3.526 20 0 BHADHN C[C@@H]1CN(C/C=C/c2ccccc2)C[C@@H](C)S1 ZINC000524757183 388408360 /nfs/dbraw/zinc/40/83/60/388408360.db2.gz GTHJHVJECLNTPI-VAIDBEGPSA-N 0 3 247.407 3.526 20 0 BHADHN CC1(C)CCN(Cc2ccc(Cl)cc2)C1 ZINC000524766297 388408345 /nfs/dbraw/zinc/40/83/45/388408345.db2.gz QXRYWJVYYPFOJJ-UHFFFAOYSA-N 0 3 223.747 3.572 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2ccc(F)cc2Cl)C1 ZINC000524895094 388413348 /nfs/dbraw/zinc/41/33/48/388413348.db2.gz JTFSHEYBEBHTTQ-NXEZZACHSA-N 0 3 241.737 3.709 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2ccc(F)cc2Cl)C1 ZINC000524895095 388413302 /nfs/dbraw/zinc/41/33/02/388413302.db2.gz JTFSHEYBEBHTTQ-UWVGGRQHSA-N 0 3 241.737 3.709 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1ccc(F)cc1Cl ZINC000524895096 388412875 /nfs/dbraw/zinc/41/28/75/388412875.db2.gz JTFSHEYBEBHTTQ-VHSXEESVSA-N 0 3 241.737 3.709 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2ccc(F)cc2Cl)C1 ZINC000524895097 388412783 /nfs/dbraw/zinc/41/27/83/388412783.db2.gz JTFSHEYBEBHTTQ-ZJUUUORDSA-N 0 3 241.737 3.709 20 0 BHADHN Cc1ccoc1CNCCc1ccc(C)cc1C ZINC000525189682 388419369 /nfs/dbraw/zinc/41/93/69/388419369.db2.gz XHGAXWNCHBSKPN-UHFFFAOYSA-N 0 3 243.350 3.537 20 0 BHADHN CC[C@@H](CNCc1occc1C)c1ccccc1 ZINC000525190190 388419158 /nfs/dbraw/zinc/41/91/58/388419158.db2.gz XVCROGGYRZJKBA-AWEZNQCLSA-N 0 3 243.350 3.871 20 0 BHADHN CC[C@H](CNCc1occc1C)c1ccccc1 ZINC000525190191 388419867 /nfs/dbraw/zinc/41/98/67/388419867.db2.gz XVCROGGYRZJKBA-CQSZACIVSA-N 0 3 243.350 3.871 20 0 BHADHN CC1(C)CCN(Cc2ccccc2Cl)C1 ZINC000525283067 388423862 /nfs/dbraw/zinc/42/38/62/388423862.db2.gz ITBCDMCCLFYUQH-UHFFFAOYSA-N 0 3 223.747 3.572 20 0 BHADHN CC1(C)CCN(Cc2cccc(Cl)c2)C1 ZINC000525283433 388424602 /nfs/dbraw/zinc/42/46/02/388424602.db2.gz DHAZQVJEEVTZDY-UHFFFAOYSA-N 0 3 223.747 3.572 20 0 BHADHN Cc1ccc(SCCN2CCCCC2)c(C)c1 ZINC000525350665 388427015 /nfs/dbraw/zinc/42/70/15/388427015.db2.gz QLENIDUUTPNEGM-UHFFFAOYSA-N 0 3 249.423 3.881 20 0 BHADHN Cc1ccc(C)c(SCCN2CCCCC2)c1 ZINC000525350932 388426947 /nfs/dbraw/zinc/42/69/47/388426947.db2.gz XMJYXSMATWKBOP-UHFFFAOYSA-N 0 3 249.423 3.881 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2ccccc2Cl)C1 ZINC000525408628 388428265 /nfs/dbraw/zinc/42/82/65/388428265.db2.gz UZRHMVPPJLRZAB-GHMZBOCLSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2ccccc2Cl)C1 ZINC000525408629 259702321 /nfs/dbraw/zinc/70/23/21/259702321.db2.gz UZRHMVPPJLRZAB-MNOVXSKESA-N 0 3 223.747 3.570 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2ccccc2Cl)C1 ZINC000525408630 388428418 /nfs/dbraw/zinc/42/84/18/388428418.db2.gz UZRHMVPPJLRZAB-QWRGUYRKSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1ccccc1Cl ZINC000525408631 388428502 /nfs/dbraw/zinc/42/85/02/388428502.db2.gz UZRHMVPPJLRZAB-WDEREUQCSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2ccc(Cl)cc2)C1 ZINC000525410821 388428456 /nfs/dbraw/zinc/42/84/56/388428456.db2.gz LGLUFHYYGPVOLI-GHMZBOCLSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2ccc(Cl)cc2)C1 ZINC000525410822 388428761 /nfs/dbraw/zinc/42/87/61/388428761.db2.gz LGLUFHYYGPVOLI-MNOVXSKESA-N 0 3 223.747 3.570 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2ccc(Cl)cc2)C1 ZINC000525410823 388428579 /nfs/dbraw/zinc/42/85/79/388428579.db2.gz LGLUFHYYGPVOLI-QWRGUYRKSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1ccc(Cl)cc1 ZINC000525410824 388428838 /nfs/dbraw/zinc/42/88/38/388428838.db2.gz LGLUFHYYGPVOLI-WDEREUQCSA-N 0 3 223.747 3.570 20 0 BHADHN Cc1ccccc1[C@@H](C)N(C)CCC(F)(F)F ZINC000525422804 388428513 /nfs/dbraw/zinc/42/85/13/388428513.db2.gz VCTLBVQMAXHNFM-LLVKDONJSA-N 0 3 245.288 3.940 20 0 BHADHN Cc1ccccc1[C@H](C)N(C)CCC(F)(F)F ZINC000525422805 388428644 /nfs/dbraw/zinc/42/86/44/388428644.db2.gz VCTLBVQMAXHNFM-NSHDSACASA-N 0 3 245.288 3.940 20 0 BHADHN CN(CCC1CCCCC1)CCC(F)(F)F ZINC000525422869 388428554 /nfs/dbraw/zinc/42/85/54/388428554.db2.gz AMMXUIOOSYMKLJ-UHFFFAOYSA-N 0 3 237.309 3.841 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000525635169 384497060 /nfs/dbraw/zinc/49/70/60/384497060.db2.gz KKSSTBLCJKZFAH-HONMWMINSA-N 0 3 249.785 3.989 20 0 BHADHN C[C@@H](c1cccc(Cl)c1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000525635171 262730991 /nfs/dbraw/zinc/73/09/91/262730991.db2.gz KKSSTBLCJKZFAH-LEWSCRJBSA-N 0 3 249.785 3.989 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000525637208 259353083 /nfs/dbraw/zinc/35/30/83/259353083.db2.gz CDWZONHDTCCLFP-HONMWMINSA-N 0 3 249.785 3.989 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000525637210 259353040 /nfs/dbraw/zinc/35/30/40/259353040.db2.gz CDWZONHDTCCLFP-LEWSCRJBSA-N 0 3 249.785 3.989 20 0 BHADHN CCN(CCc1ccc(C)cc1)Cc1ccco1 ZINC000525682725 384261319 /nfs/dbraw/zinc/26/13/19/384261319.db2.gz GRGFYGMWWAHUCI-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN Cc1ccoc1CNC[C@H](C)c1cccc(C)c1 ZINC000525697506 323029943 /nfs/dbraw/zinc/02/99/43/323029943.db2.gz PELCZAGWHLCTOZ-AWEZNQCLSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1ccoc1CNC[C@@H](C)c1cccc(C)c1 ZINC000525697507 323029988 /nfs/dbraw/zinc/02/99/88/323029988.db2.gz PELCZAGWHLCTOZ-CQSZACIVSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1ccoc1CNC[C@H](C)Cc1cccs1 ZINC000525708962 259359587 /nfs/dbraw/zinc/35/95/87/259359587.db2.gz YPXUWMRWTYQNMA-LLVKDONJSA-N 0 3 249.379 3.618 20 0 BHADHN Cc1ccoc1CNC[C@@H](C)Cc1cccs1 ZINC000525708963 259359539 /nfs/dbraw/zinc/35/95/39/259359539.db2.gz YPXUWMRWTYQNMA-NSHDSACASA-N 0 3 249.379 3.618 20 0 BHADHN C/C(=C/c1ccccc1)CNCCC(F)(F)F ZINC000525709003 259359581 /nfs/dbraw/zinc/35/95/81/259359581.db2.gz BVNMGJWUNMMAHP-LUAWRHEFSA-N 0 3 243.272 3.632 20 0 BHADHN C/C(=C\c1ccccc1)CNCCC(F)(F)F ZINC000525709004 259359546 /nfs/dbraw/zinc/35/95/46/259359546.db2.gz BVNMGJWUNMMAHP-PKNBQFBNSA-N 0 3 243.272 3.632 20 0 BHADHN Cc1ccc(CN[C@H]2C[C@@H]2C2CCCCC2)o1 ZINC000525709400 259359634 /nfs/dbraw/zinc/35/96/34/259359634.db2.gz YKQJYCRPQMPWTJ-CABCVRRESA-N 0 3 233.355 3.646 20 0 BHADHN Cc1ccc(CN[C@H]2C[C@H]2C2CCCCC2)o1 ZINC000525709401 259359548 /nfs/dbraw/zinc/35/95/48/259359548.db2.gz YKQJYCRPQMPWTJ-GJZGRUSLSA-N 0 3 233.355 3.646 20 0 BHADHN Cc1ccc(CN[C@@H]2C[C@@H]2C2CCCCC2)o1 ZINC000525709402 259359682 /nfs/dbraw/zinc/35/96/82/259359682.db2.gz YKQJYCRPQMPWTJ-HUUCEWRRSA-N 0 3 233.355 3.646 20 0 BHADHN Cc1ccc(CN[C@@H]2C[C@H]2C2CCCCC2)o1 ZINC000525709403 259359611 /nfs/dbraw/zinc/35/96/11/259359611.db2.gz YKQJYCRPQMPWTJ-LSDHHAIUSA-N 0 3 233.355 3.646 20 0 BHADHN CN(Cc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000525783724 259396273 /nfs/dbraw/zinc/39/62/73/259396273.db2.gz XVLDNLJQTJSAAG-UHFFFAOYSA-N 0 3 244.165 3.978 20 0 BHADHN Cc1cc(C)cc(CN2C[C@H](C)S[C@@H](C)C2)c1 ZINC000525785332 259397095 /nfs/dbraw/zinc/39/70/95/259397095.db2.gz KZTUMDVHLSDMCD-KBPBESRZSA-N 0 3 249.423 3.629 20 0 BHADHN Cc1cc(C)cc(CN2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000525785333 259397199 /nfs/dbraw/zinc/39/71/99/259397199.db2.gz KZTUMDVHLSDMCD-OKILXGFUSA-N 0 3 249.423 3.629 20 0 BHADHN Cc1cc(C)cc(CN2C[C@@H](C)S[C@H](C)C2)c1 ZINC000525785334 259397069 /nfs/dbraw/zinc/39/70/69/259397069.db2.gz KZTUMDVHLSDMCD-ZIAGYGMSSA-N 0 3 249.423 3.629 20 0 BHADHN C[C@@H]1c2c(F)cccc2CCN1CC1CCC1 ZINC000525785351 259396890 /nfs/dbraw/zinc/39/68/90/259396890.db2.gz OCXDXVWUHMTGEF-LLVKDONJSA-N 0 3 233.330 3.545 20 0 BHADHN C[C@H]1c2c(F)cccc2CCN1CC1CCC1 ZINC000525785352 259396752 /nfs/dbraw/zinc/39/67/52/259396752.db2.gz OCXDXVWUHMTGEF-NSHDSACASA-N 0 3 233.330 3.545 20 0 BHADHN CC[C@@H]1C[C@H](C)CN1Cc1cccc(F)c1F ZINC000525819579 386425880 /nfs/dbraw/zinc/42/58/80/386425880.db2.gz BHYPCLLSNRPUSO-CMPLNLGQSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1C[C@H](C)CN1Cc1cccc(F)c1F ZINC000525819580 386426524 /nfs/dbraw/zinc/42/65/24/386426524.db2.gz BHYPCLLSNRPUSO-JQWIXIFHSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1C[C@@H](C)CN1Cc1cccc(F)c1F ZINC000525819581 386427004 /nfs/dbraw/zinc/42/70/04/386427004.db2.gz BHYPCLLSNRPUSO-PWSUYJOCSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1C[C@@H](C)CN1Cc1cccc(F)c1F ZINC000525819582 386425003 /nfs/dbraw/zinc/42/50/03/386425003.db2.gz BHYPCLLSNRPUSO-ZYHUDNBSSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(F)c(F)c1 ZINC000525819822 350463776 /nfs/dbraw/zinc/46/37/76/350463776.db2.gz UNFQXDIDDGGXSG-CMPLNLGQSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1C[C@H](C)CN1Cc1ccc(F)c(F)c1 ZINC000525819823 350463751 /nfs/dbraw/zinc/46/37/51/350463751.db2.gz UNFQXDIDDGGXSG-JQWIXIFHSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(F)c(F)c1 ZINC000525819824 350463570 /nfs/dbraw/zinc/46/35/70/350463570.db2.gz UNFQXDIDDGGXSG-PWSUYJOCSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(F)c(F)c1 ZINC000525819825 350463678 /nfs/dbraw/zinc/46/36/78/350463678.db2.gz UNFQXDIDDGGXSG-ZYHUDNBSSA-N 0 3 239.309 3.585 20 0 BHADHN CCC(C)(C)N(C)Cc1ccccc1Cl ZINC000525827301 386490260 /nfs/dbraw/zinc/49/02/60/386490260.db2.gz GQVBLZSHLXCGOO-UHFFFAOYSA-N 0 3 225.763 3.960 20 0 BHADHN CCc1ccccc1CN(C)Cc1cccs1 ZINC000525833524 323100161 /nfs/dbraw/zinc/10/01/61/323100161.db2.gz LIMHNGFISLAIBJ-UHFFFAOYSA-N 0 3 245.391 3.943 20 0 BHADHN CC[C@@H](C)N(Cc1ccccc1)CC1(F)CC1 ZINC000525976751 353861242 /nfs/dbraw/zinc/86/12/42/353861242.db2.gz ABUZTNRGRPUMOD-CYBMUJFWSA-N 0 3 235.346 3.789 20 0 BHADHN CC[C@H](C)N(Cc1ccccc1)CC1(F)CC1 ZINC000525976752 353861482 /nfs/dbraw/zinc/86/14/82/353861482.db2.gz ABUZTNRGRPUMOD-ZDUSSCGKSA-N 0 3 235.346 3.789 20 0 BHADHN CCc1cccc(F)c1CN1C2CCC1CC2 ZINC000525976850 388438912 /nfs/dbraw/zinc/43/89/12/388438912.db2.gz WMJOIEKSEPBDJY-UHFFFAOYSA-N 0 3 233.330 3.515 20 0 BHADHN CCCN(Cc1ccc(C)cc1)CC1(F)CC1 ZINC000525976854 388438886 /nfs/dbraw/zinc/43/88/86/388438886.db2.gz XPFRXCBQHZVXAW-UHFFFAOYSA-N 0 3 235.346 3.709 20 0 BHADHN Cc1ccccc1[C@@H]1CCCN1CC1(F)CC1 ZINC000525976855 388438696 /nfs/dbraw/zinc/43/86/96/388438696.db2.gz XTZYUCAHIAUIGG-AWEZNQCLSA-N 0 3 233.330 3.634 20 0 BHADHN Cc1ccccc1[C@H]1CCCN1CC1(F)CC1 ZINC000525976856 388438788 /nfs/dbraw/zinc/43/87/88/388438788.db2.gz XTZYUCAHIAUIGG-CQSZACIVSA-N 0 3 233.330 3.634 20 0 BHADHN Cc1ccc([C@@H]2CCCN2CC2(F)CC2)cc1 ZINC000525977548 388439980 /nfs/dbraw/zinc/43/99/80/388439980.db2.gz UDLMPOAJKUKYAE-AWEZNQCLSA-N 0 3 233.330 3.634 20 0 BHADHN Cc1ccc([C@H]2CCCN2CC2(F)CC2)cc1 ZINC000525977549 388439671 /nfs/dbraw/zinc/43/96/71/388439671.db2.gz UDLMPOAJKUKYAE-CQSZACIVSA-N 0 3 233.330 3.634 20 0 BHADHN FC1(CN2CCCC3(CCCCC3)C2)CC1 ZINC000525977623 388440838 /nfs/dbraw/zinc/44/08/38/388440838.db2.gz HOVCGINWUTVOCF-UHFFFAOYSA-N 0 3 225.351 3.535 20 0 BHADHN CCN(CC1(F)CC1)[C@H](C)c1ccc(F)cc1 ZINC000525977632 388441431 /nfs/dbraw/zinc/44/14/31/388441431.db2.gz JCHLLYJDYHDDNY-LLVKDONJSA-N 0 3 239.309 3.711 20 0 BHADHN CCN(CC1(F)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000525977633 388441038 /nfs/dbraw/zinc/44/10/38/388441038.db2.gz JCHLLYJDYHDDNY-NSHDSACASA-N 0 3 239.309 3.711 20 0 BHADHN C[C@]1(c2ccccc2)CCCN(CC2(F)CC2)C1 ZINC000525977784 388441408 /nfs/dbraw/zinc/44/14/08/388441408.db2.gz KAZMNKMPCFQOEL-HNNXBMFYSA-N 0 3 247.357 3.542 20 0 BHADHN C[C@@]1(c2ccccc2)CCCN(CC2(F)CC2)C1 ZINC000525977785 388441330 /nfs/dbraw/zinc/44/13/30/388441330.db2.gz KAZMNKMPCFQOEL-OAHLLOKOSA-N 0 3 247.357 3.542 20 0 BHADHN Cc1ccc(CN(CC2(F)CC2)C2CC2)cc1C ZINC000525977871 388441168 /nfs/dbraw/zinc/44/11/68/388441168.db2.gz ZQLPNOJCOYKHMZ-UHFFFAOYSA-N 0 3 247.357 3.770 20 0 BHADHN Cc1ccc(C[C@@H]2CCCN2CC2(F)CC2)cc1 ZINC000525977893 388441368 /nfs/dbraw/zinc/44/13/68/388441368.db2.gz FIMSQUFTJPZWAD-HNNXBMFYSA-N 0 3 247.357 3.504 20 0 BHADHN Cc1ccc(C[C@H]2CCCN2CC2(F)CC2)cc1 ZINC000525977894 259711941 /nfs/dbraw/zinc/71/19/41/259711941.db2.gz FIMSQUFTJPZWAD-OAHLLOKOSA-N 0 3 247.357 3.504 20 0 BHADHN FC1(CN2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000525978575 386843311 /nfs/dbraw/zinc/84/33/11/386843311.db2.gz AILGMQBJNBGJKU-HNNXBMFYSA-N 0 3 247.357 3.758 20 0 BHADHN FC1(CN2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000525978576 386843598 /nfs/dbraw/zinc/84/35/98/386843598.db2.gz AILGMQBJNBGJKU-OAHLLOKOSA-N 0 3 247.357 3.758 20 0 BHADHN Cc1ccc(C)c([C@@H]2CCCN2CC2(F)CC2)c1 ZINC000525978754 388443174 /nfs/dbraw/zinc/44/31/74/388443174.db2.gz CZIQZJOHEAFPNM-HNNXBMFYSA-N 0 3 247.357 3.942 20 0 BHADHN Cc1ccc(C)c([C@H]2CCCN2CC2(F)CC2)c1 ZINC000525978755 388442975 /nfs/dbraw/zinc/44/29/75/388442975.db2.gz CZIQZJOHEAFPNM-OAHLLOKOSA-N 0 3 247.357 3.942 20 0 BHADHN FC1(CNCC2(c3ccccc3)CCCC2)CC1 ZINC000525982118 388448167 /nfs/dbraw/zinc/44/81/67/388448167.db2.gz WVXNQUOIPNCNNI-UHFFFAOYSA-N 0 3 247.357 3.590 20 0 BHADHN Cc1cc(C)cc([C@H]2CCN(CC3(F)CC3)C2)c1 ZINC000525993572 388452860 /nfs/dbraw/zinc/45/28/60/388452860.db2.gz JTTMXVPTYGBRIP-AWEZNQCLSA-N 0 3 247.357 3.595 20 0 BHADHN Cc1cc(C)cc([C@@H]2CCN(CC3(F)CC3)C2)c1 ZINC000525993573 388452344 /nfs/dbraw/zinc/45/23/44/388452344.db2.gz JTTMXVPTYGBRIP-CQSZACIVSA-N 0 3 247.357 3.595 20 0 BHADHN C[C@H](CN1[C@H](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000525996704 388453392 /nfs/dbraw/zinc/45/33/92/388453392.db2.gz XUVYDBBRXHEORJ-IJLUTSLNSA-N 0 3 237.774 3.926 20 0 BHADHN C[C@@H](CN1[C@H](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000525996705 388454292 /nfs/dbraw/zinc/45/42/92/388454292.db2.gz XUVYDBBRXHEORJ-SDDRHHMPSA-N 0 3 237.774 3.926 20 0 BHADHN C[C@H](CN1[C@H](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000525996706 388453983 /nfs/dbraw/zinc/45/39/83/388453983.db2.gz XUVYDBBRXHEORJ-UTUOFQBUSA-N 0 3 237.774 3.926 20 0 BHADHN C[C@H](CN1[C@@H](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000525996707 388454117 /nfs/dbraw/zinc/45/41/17/388454117.db2.gz XUVYDBBRXHEORJ-WOPDTQHZSA-N 0 3 237.774 3.926 20 0 BHADHN C[C@@H]1C[C@H](C)N1Cc1ccc(-c2ccccc2)o1 ZINC000525996934 388453558 /nfs/dbraw/zinc/45/35/58/388453558.db2.gz XAGCNHJDZYZCEI-BETUJISGSA-N 0 3 241.334 3.929 20 0 BHADHN C[C@@H]1C[C@@H](C)N1Cc1ccc(-c2ccccc2)o1 ZINC000525996935 388453684 /nfs/dbraw/zinc/45/36/84/388453684.db2.gz XAGCNHJDZYZCEI-CHWSQXEVSA-N 0 3 241.334 3.929 20 0 BHADHN C[C@H]1C[C@H](C)N1Cc1ccc(-c2ccccc2)o1 ZINC000525996936 388454054 /nfs/dbraw/zinc/45/40/54/388454054.db2.gz XAGCNHJDZYZCEI-STQMWFEESA-N 0 3 241.334 3.929 20 0 BHADHN Cc1cc(CN2[C@H](C)C[C@@H]2C)cc2cccnc12 ZINC000525996946 388453543 /nfs/dbraw/zinc/45/35/43/388453543.db2.gz YOTCXUPSTROFJH-BETUJISGSA-N 0 3 240.350 3.526 20 0 BHADHN Cc1cc(CN2[C@H](C)C[C@H]2C)cc2cccnc12 ZINC000525996947 388453612 /nfs/dbraw/zinc/45/36/12/388453612.db2.gz YOTCXUPSTROFJH-CHWSQXEVSA-N 0 3 240.350 3.526 20 0 BHADHN Cc1cc(CN2[C@@H](C)C[C@@H]2C)cc2cccnc12 ZINC000525996948 388453837 /nfs/dbraw/zinc/45/38/37/388453837.db2.gz YOTCXUPSTROFJH-STQMWFEESA-N 0 3 240.350 3.526 20 0 BHADHN Cc1oc2ccccc2c1CN1[C@H](C)C[C@H]1C ZINC000525996986 388453745 /nfs/dbraw/zinc/45/37/45/388453745.db2.gz HOWDZCHHLYQFRG-GHMZBOCLSA-N 0 3 229.323 3.724 20 0 BHADHN Cc1oc2ccccc2c1CN1[C@H](C)C[C@@H]1C ZINC000525996987 388454150 /nfs/dbraw/zinc/45/41/50/388454150.db2.gz HOWDZCHHLYQFRG-PHIMTYICSA-N 0 3 229.323 3.724 20 0 BHADHN Cc1oc2ccccc2c1CN1[C@@H](C)C[C@@H]1C ZINC000525996988 388454202 /nfs/dbraw/zinc/45/42/02/388454202.db2.gz HOWDZCHHLYQFRG-QWRGUYRKSA-N 0 3 229.323 3.724 20 0 BHADHN C/C(=C\c1ccccc1)CN1[C@H](C)C[C@H]1C ZINC000525997088 388454028 /nfs/dbraw/zinc/45/40/28/388454028.db2.gz ZWMSEBONSFSWRV-DBLGQFABSA-N 0 3 215.340 3.573 20 0 BHADHN C/C(=C\c1ccccc1)CN1[C@H](C)C[C@@H]1C ZINC000525997089 388454111 /nfs/dbraw/zinc/45/41/11/388454111.db2.gz ZWMSEBONSFSWRV-IRBPBCMDSA-N 0 3 215.340 3.573 20 0 BHADHN C/C(=C/c1ccccc1)CN1[C@H](C)C[C@H]1C ZINC000525997090 388454087 /nfs/dbraw/zinc/45/40/87/388454087.db2.gz ZWMSEBONSFSWRV-ISESHHHUSA-N 0 3 215.340 3.573 20 0 BHADHN C/C(=C/c1ccccc1)CN1[C@H](C)C[C@@H]1C ZINC000525997091 388453465 /nfs/dbraw/zinc/45/34/65/388453465.db2.gz ZWMSEBONSFSWRV-JVGGDYBHSA-N 0 3 215.340 3.573 20 0 BHADHN Cc1cc(Cl)ccc1CN1[C@H](C)C[C@H]1C ZINC000525997362 388453421 /nfs/dbraw/zinc/45/34/21/388453421.db2.gz IXXMDLCJWFNZLW-GHMZBOCLSA-N 0 3 223.747 3.631 20 0 BHADHN Cc1cc(Cl)ccc1CN1[C@H](C)C[C@@H]1C ZINC000525997363 388453672 /nfs/dbraw/zinc/45/36/72/388453672.db2.gz IXXMDLCJWFNZLW-PHIMTYICSA-N 0 3 223.747 3.631 20 0 BHADHN Cc1cc(Cl)ccc1CN1[C@@H](C)C[C@@H]1C ZINC000525997364 388453497 /nfs/dbraw/zinc/45/34/97/388453497.db2.gz IXXMDLCJWFNZLW-QWRGUYRKSA-N 0 3 223.747 3.631 20 0 BHADHN FC1(CNCc2ccc(C3CCC3)cc2)CC1 ZINC000526001802 388453717 /nfs/dbraw/zinc/45/37/17/388453717.db2.gz IXCVBCUFRMMDTF-UHFFFAOYSA-N 0 3 233.330 3.546 20 0 BHADHN Clc1ccc(/C=C/CN2C3CCC2CC3)cc1 ZINC000526059051 385455463 /nfs/dbraw/zinc/45/54/63/385455463.db2.gz DSJMWMBSLVFRJK-OWOJBTEDSA-N 0 3 247.769 3.980 20 0 BHADHN Clc1ccc(/C=C\CN2C3CCC2CC3)cc1 ZINC000526059052 385455118 /nfs/dbraw/zinc/45/51/18/385455118.db2.gz DSJMWMBSLVFRJK-UPHRSURJSA-N 0 3 247.769 3.980 20 0 BHADHN CC(C)[C@@H](NCCCF)c1cc(F)ccc1F ZINC000526075433 323185325 /nfs/dbraw/zinc/18/53/25/323185325.db2.gz VWHZHDPFLBDZRS-CYBMUJFWSA-N 0 3 245.288 3.611 20 0 BHADHN CC(C)[C@H](NCCCF)c1cc(F)ccc1F ZINC000526075434 323185339 /nfs/dbraw/zinc/18/53/39/323185339.db2.gz VWHZHDPFLBDZRS-ZDUSSCGKSA-N 0 3 245.288 3.611 20 0 BHADHN CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1ccoc1 ZINC000526108122 323226757 /nfs/dbraw/zinc/22/67/57/323226757.db2.gz LYVGATQFYITYLF-GXSJLCMTSA-N 0 3 249.276 3.907 20 0 BHADHN CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1ccoc1 ZINC000526108123 323226746 /nfs/dbraw/zinc/22/67/46/323226746.db2.gz LYVGATQFYITYLF-KOLCDFICSA-N 0 3 249.276 3.907 20 0 BHADHN CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1ccoc1 ZINC000526108124 323226666 /nfs/dbraw/zinc/22/66/66/323226666.db2.gz LYVGATQFYITYLF-MWLCHTKSSA-N 0 3 249.276 3.907 20 0 BHADHN CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1ccoc1 ZINC000526108125 323226474 /nfs/dbraw/zinc/22/64/74/323226474.db2.gz LYVGATQFYITYLF-ONGXEEELSA-N 0 3 249.276 3.907 20 0 BHADHN CCN(CC=C(C)C)Cc1c[nH]c2ccccc12 ZINC000526949890 386702799 /nfs/dbraw/zinc/70/27/99/386702799.db2.gz NIUWFEZEXULQRB-UHFFFAOYSA-N 0 3 242.366 3.956 20 0 BHADHN Cc1cccc([C@@H]2CCCN2CC2(F)CC2)c1 ZINC000526969399 323309311 /nfs/dbraw/zinc/30/93/11/323309311.db2.gz ODCCVCYICIZNIG-AWEZNQCLSA-N 0 3 233.330 3.634 20 0 BHADHN Cc1cccc([C@H]2CCCN2CC2(F)CC2)c1 ZINC000526969400 323308926 /nfs/dbraw/zinc/30/89/26/323308926.db2.gz ODCCVCYICIZNIG-CQSZACIVSA-N 0 3 233.330 3.634 20 0 BHADHN FC1(CN(Cc2ccccc2)CC2CCC2)CC1 ZINC000526969928 323308883 /nfs/dbraw/zinc/30/88/83/323308883.db2.gz RSJIBNDSWJPGRN-UHFFFAOYSA-N 0 3 247.357 3.791 20 0 BHADHN CC(C)N(Cc1ccc(F)cc1)CC1(F)CC1 ZINC000526970163 323309504 /nfs/dbraw/zinc/30/95/04/323309504.db2.gz YOGYUBSITCCGLY-UHFFFAOYSA-N 0 3 239.309 3.538 20 0 BHADHN FC1(CN2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000526970860 386714437 /nfs/dbraw/zinc/71/44/37/386714437.db2.gz RLGZQKHPXFSDFG-HNNXBMFYSA-N 0 3 247.357 3.586 20 0 BHADHN FC1(CN2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000526970861 386713548 /nfs/dbraw/zinc/71/35/48/386713548.db2.gz RLGZQKHPXFSDFG-OAHLLOKOSA-N 0 3 247.357 3.586 20 0 BHADHN C[C@H]1CN(CC2(F)CC2)CC[C@H]1c1ccccc1 ZINC000526971264 386715358 /nfs/dbraw/zinc/71/53/58/386715358.db2.gz JYWJSAGZGUBIRK-DZGCQCFKSA-N 0 3 247.357 3.614 20 0 BHADHN C[C@@H]1CN(CC2(F)CC2)CC[C@@H]1c1ccccc1 ZINC000526971265 386714021 /nfs/dbraw/zinc/71/40/21/386714021.db2.gz JYWJSAGZGUBIRK-HIFRSBDPSA-N 0 3 247.357 3.614 20 0 BHADHN C[C@@H]1CN(CC2(F)CC2)CC[C@H]1c1ccccc1 ZINC000526971266 386715191 /nfs/dbraw/zinc/71/51/91/386715191.db2.gz JYWJSAGZGUBIRK-UKRRQHHQSA-N 0 3 247.357 3.614 20 0 BHADHN C[C@H]1CN(CC2(F)CC2)CC[C@@H]1c1ccccc1 ZINC000526971267 386714780 /nfs/dbraw/zinc/71/47/80/386714780.db2.gz JYWJSAGZGUBIRK-ZFWWWQNUSA-N 0 3 247.357 3.614 20 0 BHADHN CC(C)(C)c1ccc(CCNCC2(F)CC2)cc1 ZINC000526973507 583931665 /nfs/dbraw/zinc/93/16/65/583931665.db2.gz GRBLLOIEZVBIDZ-UHFFFAOYSA-N 0 3 249.373 3.618 20 0 BHADHN CC(C)(C)c1ccc(CNCC2(F)CC2)cc1 ZINC000526978862 386717257 /nfs/dbraw/zinc/71/72/57/386717257.db2.gz HCWAOBZMEVIVEW-UHFFFAOYSA-N 0 3 235.346 3.576 20 0 BHADHN CCCN(CCc1cccs1)CC1(F)CC1 ZINC000526984863 386717922 /nfs/dbraw/zinc/71/79/22/386717922.db2.gz LZTHLCLOGHWMOB-UHFFFAOYSA-N 0 3 241.375 3.505 20 0 BHADHN FC(F)c1ccc(CNC2CC(F)(F)C2)cc1 ZINC000526988110 386725335 /nfs/dbraw/zinc/72/53/35/386725335.db2.gz BWHWQNYTDCOXHR-UHFFFAOYSA-N 0 3 247.235 3.512 20 0 BHADHN C[C@@H]1C[C@H](C)N1Cc1cc2cc(F)ccc2o1 ZINC000526989309 386726716 /nfs/dbraw/zinc/72/67/16/386726716.db2.gz IZVDDNPQYUKUBE-AOOOYVTPSA-N 0 3 233.286 3.555 20 0 BHADHN C[C@@H]1C[C@@H](C)N1Cc1cc2cc(F)ccc2o1 ZINC000526989310 386727376 /nfs/dbraw/zinc/72/73/76/386727376.db2.gz IZVDDNPQYUKUBE-NXEZZACHSA-N 0 3 233.286 3.555 20 0 BHADHN C[C@H]1C[C@H](C)N1Cc1cc2cc(F)ccc2o1 ZINC000526989311 386726962 /nfs/dbraw/zinc/72/69/62/386726962.db2.gz IZVDDNPQYUKUBE-UWVGGRQHSA-N 0 3 233.286 3.555 20 0 BHADHN CC(C)COc1cccc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000526989479 386727618 /nfs/dbraw/zinc/72/76/18/386727618.db2.gz JFUQCZGFLRUJIL-KBPBESRZSA-N 0 3 247.382 3.704 20 0 BHADHN CC(C)COc1cccc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000526989480 386727135 /nfs/dbraw/zinc/72/71/35/386727135.db2.gz JFUQCZGFLRUJIL-OKILXGFUSA-N 0 3 247.382 3.704 20 0 BHADHN CC(C)COc1cccc(CN2[C@H](C)C[C@H]2C)c1 ZINC000526989481 262801542 /nfs/dbraw/zinc/80/15/42/262801542.db2.gz JFUQCZGFLRUJIL-ZIAGYGMSSA-N 0 3 247.382 3.704 20 0 BHADHN CCSc1cccc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000526989522 386727285 /nfs/dbraw/zinc/72/72/85/386727285.db2.gz NTIZCQMQSMZSLY-RYUDHWBXSA-N 0 3 235.396 3.781 20 0 BHADHN CCSc1cccc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000526989523 386727118 /nfs/dbraw/zinc/72/71/18/386727118.db2.gz NTIZCQMQSMZSLY-TXEJJXNPSA-N 0 3 235.396 3.781 20 0 BHADHN CCSc1cccc(CN2[C@H](C)C[C@H]2C)c1 ZINC000526989524 386727781 /nfs/dbraw/zinc/72/77/81/386727781.db2.gz NTIZCQMQSMZSLY-VXGBXAGGSA-N 0 3 235.396 3.781 20 0 BHADHN CSc1ccccc1CN(C)CC1(C)CC1 ZINC000526989699 386727344 /nfs/dbraw/zinc/72/73/44/386727344.db2.gz RDJXMMFSPGJZBA-UHFFFAOYSA-N 0 3 235.396 3.640 20 0 BHADHN C[C@@H]1C[C@@H](C)N1Cc1csc2ccccc12 ZINC000526990497 386722582 /nfs/dbraw/zinc/72/25/82/386722582.db2.gz HCVMJXIXIJYMGN-GHMZBOCLSA-N 0 3 231.364 3.884 20 0 BHADHN C[C@@H]1C[C@H](C)N1Cc1csc2ccccc12 ZINC000526990498 386721879 /nfs/dbraw/zinc/72/18/79/386721879.db2.gz HCVMJXIXIJYMGN-PHIMTYICSA-N 0 3 231.364 3.884 20 0 BHADHN C[C@H]1C[C@H](C)N1Cc1csc2ccccc12 ZINC000526990499 386721182 /nfs/dbraw/zinc/72/11/82/386721182.db2.gz HCVMJXIXIJYMGN-QWRGUYRKSA-N 0 3 231.364 3.884 20 0 BHADHN Cc1ccc([C@H]2CCN(CC3(F)CC3)C2)c(C)c1 ZINC000526992208 386722297 /nfs/dbraw/zinc/72/22/97/386722297.db2.gz QIAODAKXYDMEOT-AWEZNQCLSA-N 0 3 247.357 3.595 20 0 BHADHN Cc1ccc([C@@H]2CCN(CC3(F)CC3)C2)c(C)c1 ZINC000526992209 386721753 /nfs/dbraw/zinc/72/17/53/386721753.db2.gz QIAODAKXYDMEOT-CQSZACIVSA-N 0 3 247.357 3.595 20 0 BHADHN CC(C)[C@H]1C[C@@H](NCC2(F)CC2)c2ccccc21 ZINC000526994650 386724892 /nfs/dbraw/zinc/72/48/92/386724892.db2.gz UWUHVEAUIAQONJ-HUUCEWRRSA-N 0 3 247.357 3.963 20 0 BHADHN CN(CCC1CC1)Cc1cc(Cl)ccc1F ZINC000527048173 386760346 /nfs/dbraw/zinc/76/03/46/386760346.db2.gz OALNSOALTPYTBG-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CC(C)=CCN1CC[C@H](C(F)(F)F)C1(C)C ZINC000527053240 386759673 /nfs/dbraw/zinc/75/96/73/386759673.db2.gz VTLJBFZBZYNMBD-JTQLQIEISA-N 0 3 235.293 3.615 20 0 BHADHN CC(C)=CCN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000527053241 386761112 /nfs/dbraw/zinc/76/11/12/386761112.db2.gz VTLJBFZBZYNMBD-SNVBAGLBSA-N 0 3 235.293 3.615 20 0 BHADHN c1cc(CN2CCCC3(CCCCC3)CC2)on1 ZINC000527055991 386767227 /nfs/dbraw/zinc/76/72/27/386767227.db2.gz SWLNCWXREKYHRW-UHFFFAOYSA-N 0 3 248.370 3.611 20 0 BHADHN CN(Cc1cc(F)ccc1Cl)CC1CCC1 ZINC000527074179 386775648 /nfs/dbraw/zinc/77/56/48/386775648.db2.gz FNSYNAFFEDMAEJ-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CC(C)CN(C)Cc1cc(F)ccc1Cl ZINC000527074212 386775837 /nfs/dbraw/zinc/77/58/37/386775837.db2.gz JZPFIYMTOMDHSH-UHFFFAOYSA-N 0 3 229.726 3.567 20 0 BHADHN CC(C)(C)CCNC1(c2ccccc2F)CC1 ZINC000527111633 387383852 /nfs/dbraw/zinc/38/38/52/387383852.db2.gz KRWHBECUSPXBPI-UHFFFAOYSA-N 0 3 235.346 3.841 20 0 BHADHN Cc1ccc(NCCCC(C)C)c(CN(C)C)c1 ZINC000527115878 323653721 /nfs/dbraw/zinc/65/37/21/323653721.db2.gz ZCQWENFIRBLTEG-UHFFFAOYSA-N 0 3 248.414 3.905 20 0 BHADHN CC(C)CN(Cc1ccccc1)CC1(F)CC1 ZINC000527218279 387538802 /nfs/dbraw/zinc/53/88/02/387538802.db2.gz AFJQTWIFPDKBSU-UHFFFAOYSA-N 0 3 235.346 3.647 20 0 BHADHN CCCN(Cc1ccc(F)cc1)CC1(F)CC1 ZINC000527219026 387538483 /nfs/dbraw/zinc/53/84/83/387538483.db2.gz NPBZOIUSDLJMIU-UHFFFAOYSA-N 0 3 239.309 3.540 20 0 BHADHN Cc1ccccc1C[C@@H]1CCCN1CC1(F)CC1 ZINC000527219229 387537406 /nfs/dbraw/zinc/53/74/06/387537406.db2.gz UIQKSJAOZIBZPN-HNNXBMFYSA-N 0 3 247.357 3.504 20 0 BHADHN Cc1ccccc1C[C@H]1CCCN1CC1(F)CC1 ZINC000527219230 387538828 /nfs/dbraw/zinc/53/88/28/387538828.db2.gz UIQKSJAOZIBZPN-OAHLLOKOSA-N 0 3 247.357 3.504 20 0 BHADHN CC1(C)CCN1Cc1ccc(C(F)F)cc1 ZINC000527219239 387538558 /nfs/dbraw/zinc/53/85/58/387538558.db2.gz VVMNLTRRPGJGBB-UHFFFAOYSA-N 0 3 225.282 3.609 20 0 BHADHN Cc1cccc([C@@H]2CCCN2CC2(F)CC2)c1C ZINC000527219689 387541908 /nfs/dbraw/zinc/54/19/08/387541908.db2.gz VQRHUJIIFNIIQH-HNNXBMFYSA-N 0 3 247.357 3.942 20 0 BHADHN Cc1cccc([C@H]2CCCN2CC2(F)CC2)c1C ZINC000527219690 387542096 /nfs/dbraw/zinc/54/20/96/387542096.db2.gz VQRHUJIIFNIIQH-OAHLLOKOSA-N 0 3 247.357 3.942 20 0 BHADHN CC(C)[C@@H](c1ccccc1)N(C)CC1(F)CC1 ZINC000527219900 387536748 /nfs/dbraw/zinc/53/67/48/387536748.db2.gz KLFJSVBSDYWBJS-AWEZNQCLSA-N 0 3 235.346 3.818 20 0 BHADHN CC(C)[C@H](c1ccccc1)N(C)CC1(F)CC1 ZINC000527219901 387536260 /nfs/dbraw/zinc/53/62/60/387536260.db2.gz KLFJSVBSDYWBJS-CQSZACIVSA-N 0 3 235.346 3.818 20 0 BHADHN CC(C)c1ccc(CCCNCC2(F)CC2)cc1 ZINC000527227474 387541507 /nfs/dbraw/zinc/54/15/07/387541507.db2.gz KVAMPUFVYXXPON-UHFFFAOYSA-N 0 3 249.373 3.834 20 0 BHADHN FC1(CN2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000527233482 387543488 /nfs/dbraw/zinc/54/34/88/387543488.db2.gz KIDKNQNAMSNRJZ-CDNLZTBQSA-N 0 3 245.341 3.666 20 0 BHADHN FC1(CN2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000527233484 262834953 /nfs/dbraw/zinc/83/49/53/262834953.db2.gz KIDKNQNAMSNRJZ-HVHJFMEUSA-N 0 3 245.341 3.666 20 0 BHADHN FC1(CN2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000527233486 262834574 /nfs/dbraw/zinc/83/45/74/262834574.db2.gz KIDKNQNAMSNRJZ-WHLNPGIBSA-N 0 3 245.341 3.666 20 0 BHADHN FC1(CN2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000527233487 387543406 /nfs/dbraw/zinc/54/34/06/387543406.db2.gz KIDKNQNAMSNRJZ-XVJNWHFHSA-N 0 3 245.341 3.666 20 0 BHADHN FC(F)c1ccc(CN[C@@H]2C=CCCC2)cc1 ZINC000527238233 262835417 /nfs/dbraw/zinc/83/54/17/262835417.db2.gz GRMDFCRHKOCSJP-CYBMUJFWSA-N 0 3 237.293 3.823 20 0 BHADHN FC(F)c1ccc(CN[C@H]2C=CCCC2)cc1 ZINC000527238234 387546046 /nfs/dbraw/zinc/54/60/46/387546046.db2.gz GRMDFCRHKOCSJP-ZDUSSCGKSA-N 0 3 237.293 3.823 20 0 BHADHN Cc1ccc2cc(CN3[C@H](C)C[C@@H]3C)ccc2n1 ZINC000527238462 387546018 /nfs/dbraw/zinc/54/60/18/387546018.db2.gz DTRYXSVHMGTRRE-BETUJISGSA-N 0 3 240.350 3.526 20 0 BHADHN Cc1ccc2cc(CN3[C@H](C)C[C@H]3C)ccc2n1 ZINC000527238465 387546426 /nfs/dbraw/zinc/54/64/26/387546426.db2.gz DTRYXSVHMGTRRE-CHWSQXEVSA-N 0 3 240.350 3.526 20 0 BHADHN Cc1ccc2cc(CN3[C@@H](C)C[C@@H]3C)ccc2n1 ZINC000527238467 387546566 /nfs/dbraw/zinc/54/65/66/387546566.db2.gz DTRYXSVHMGTRRE-STQMWFEESA-N 0 3 240.350 3.526 20 0 BHADHN CC(C)CCn1cccc1CN1[C@@H](C)C[C@@H]1C ZINC000527238474 387546473 /nfs/dbraw/zinc/54/64/73/387546473.db2.gz FOFAEDGFFXSYPA-KBPBESRZSA-N 0 3 234.387 3.517 20 0 BHADHN CC(C)CCn1cccc1CN1[C@H](C)C[C@@H]1C ZINC000527238481 387545933 /nfs/dbraw/zinc/54/59/33/387545933.db2.gz FOFAEDGFFXSYPA-OKILXGFUSA-N 0 3 234.387 3.517 20 0 BHADHN CC(C)CCn1cccc1CN1[C@H](C)C[C@H]1C ZINC000527238482 387546218 /nfs/dbraw/zinc/54/62/18/387546218.db2.gz FOFAEDGFFXSYPA-ZIAGYGMSSA-N 0 3 234.387 3.517 20 0 BHADHN CCC(C)(C)N(C)Cc1cc(C)ccc1F ZINC000527241234 387547760 /nfs/dbraw/zinc/54/77/60/387547760.db2.gz AIFHYFVWOVSJGG-UHFFFAOYSA-N 0 3 223.335 3.755 20 0 BHADHN Cc1ccc([C@@H]2C[C@H](C)N(CC3(F)CC3)C2)cc1 ZINC000527243457 387542960 /nfs/dbraw/zinc/54/29/60/387542960.db2.gz FPUQTQYGAXFNDG-DZGCQCFKSA-N 0 3 247.357 3.675 20 0 BHADHN Cc1ccc([C@H]2C[C@@H](C)N(CC3(F)CC3)C2)cc1 ZINC000527243460 387543329 /nfs/dbraw/zinc/54/33/29/387543329.db2.gz FPUQTQYGAXFNDG-HIFRSBDPSA-N 0 3 247.357 3.675 20 0 BHADHN Cc1ccc([C@@H]2C[C@@H](C)N(CC3(F)CC3)C2)cc1 ZINC000527243461 387542884 /nfs/dbraw/zinc/54/28/84/387542884.db2.gz FPUQTQYGAXFNDG-UKRRQHHQSA-N 0 3 247.357 3.675 20 0 BHADHN Cc1ccc([C@H]2C[C@H](C)N(CC3(F)CC3)C2)cc1 ZINC000527243462 387543825 /nfs/dbraw/zinc/54/38/25/387543825.db2.gz FPUQTQYGAXFNDG-ZFWWWQNUSA-N 0 3 247.357 3.675 20 0 BHADHN CCC(CC)(CNCC1(F)CC1)c1ccccc1 ZINC000527281113 388458563 /nfs/dbraw/zinc/45/85/63/388458563.db2.gz QKKLESAZJWVJPS-UHFFFAOYSA-N 0 3 249.373 3.836 20 0 BHADHN Clc1ccc(/C=C/CN2CCC23CCC3)cc1 ZINC000527297816 323025693 /nfs/dbraw/zinc/02/56/93/323025693.db2.gz JWJPQCJIFBKGTB-HNQUOIGGSA-N 0 3 247.769 3.982 20 0 BHADHN Clc1ccc(/C=C\CN2CCC23CCC3)cc1 ZINC000527297817 323025703 /nfs/dbraw/zinc/02/57/03/323025703.db2.gz JWJPQCJIFBKGTB-IWQZZHSRSA-N 0 3 247.769 3.982 20 0 BHADHN CCC(C)(C)N(C)Cc1cc(F)ccc1F ZINC000527318888 386827002 /nfs/dbraw/zinc/82/70/02/386827002.db2.gz PMMLRTJYSKHSGT-UHFFFAOYSA-N 0 3 227.298 3.585 20 0 BHADHN CC[C@H]1CC[C@H](C)N1Cc1cc(F)cc(F)c1 ZINC000527324414 387021593 /nfs/dbraw/zinc/02/15/93/387021593.db2.gz FEVVJKPRDXVIQX-HZMBPMFUSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@@H]1CC[C@H](C)N1Cc1cc(F)cc(F)c1 ZINC000527324415 387022819 /nfs/dbraw/zinc/02/28/19/387022819.db2.gz FEVVJKPRDXVIQX-IINYFYTJSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@@H]1CC[C@@H](C)N1Cc1cc(F)cc(F)c1 ZINC000527324416 387021806 /nfs/dbraw/zinc/02/18/06/387021806.db2.gz FEVVJKPRDXVIQX-QMTHXVAHSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@H]1CC[C@@H](C)N1Cc1cc(F)cc(F)c1 ZINC000527324417 387021672 /nfs/dbraw/zinc/02/16/72/387021672.db2.gz FEVVJKPRDXVIQX-YGRLFVJLSA-N 0 3 239.309 3.728 20 0 BHADHN C[C@H](CN1CCCC1)c1cccc(Cl)c1 ZINC000527355964 323197811 /nfs/dbraw/zinc/19/78/11/323197811.db2.gz DUCUUGYQWQPATE-LLVKDONJSA-N 0 3 223.747 3.539 20 0 BHADHN C[C@@H](CN1CCCC1)c1cccc(Cl)c1 ZINC000527355965 323197794 /nfs/dbraw/zinc/19/77/94/323197794.db2.gz DUCUUGYQWQPATE-NSHDSACASA-N 0 3 223.747 3.539 20 0 BHADHN Cc1ccc([C@@H]2CCCN2CC2(F)CC2)cc1C ZINC000527509168 387587641 /nfs/dbraw/zinc/58/76/41/387587641.db2.gz QVZCUAITEUYQSN-HNNXBMFYSA-N 0 3 247.357 3.942 20 0 BHADHN Cc1ccc([C@H]2CCCN2CC2(F)CC2)cc1C ZINC000527509169 387586316 /nfs/dbraw/zinc/58/63/16/387586316.db2.gz QVZCUAITEUYQSN-OAHLLOKOSA-N 0 3 247.357 3.942 20 0 BHADHN Cc1ccc(CN(CC2(F)CC2)C(C)C)s1 ZINC000527509253 387587141 /nfs/dbraw/zinc/58/71/41/387587141.db2.gz FXKQBBWZNUTTBH-UHFFFAOYSA-N 0 3 241.375 3.769 20 0 BHADHN CCC(CC)N(Cc1ccnn1C(C)C)C1CC1 ZINC000527509322 387587864 /nfs/dbraw/zinc/58/78/64/387587864.db2.gz QEAWSEKBLWRXPV-UHFFFAOYSA-N 0 3 249.402 3.617 20 0 BHADHN FC1(CN2CCCCC[C@H]2c2ccncc2)CC1 ZINC000527509398 262849733 /nfs/dbraw/zinc/84/97/33/262849733.db2.gz YZCFCMBWVAVJJE-AWEZNQCLSA-N 0 3 248.345 3.501 20 0 BHADHN FC1(CN2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000527509399 387587673 /nfs/dbraw/zinc/58/76/73/387587673.db2.gz YZCFCMBWVAVJJE-CQSZACIVSA-N 0 3 248.345 3.501 20 0 BHADHN CN(Cc1cccc2ccccc21)CC1(F)CC1 ZINC000527509890 387587690 /nfs/dbraw/zinc/58/76/90/387587690.db2.gz BWEPIIHQCZMOQM-UHFFFAOYSA-N 0 3 243.325 3.774 20 0 BHADHN CC[C@@H](c1ccccc1)N(CC)CC1(F)CC1 ZINC000527509916 387587892 /nfs/dbraw/zinc/58/78/92/387587892.db2.gz GVRPTIKUEJKVRO-AWEZNQCLSA-N 0 3 235.346 3.962 20 0 BHADHN CC[C@H](c1ccccc1)N(CC)CC1(F)CC1 ZINC000527509917 387587795 /nfs/dbraw/zinc/58/77/95/387587795.db2.gz GVRPTIKUEJKVRO-CQSZACIVSA-N 0 3 235.346 3.962 20 0 BHADHN CCCN(CC1(F)CC1)[C@H]1CCc2ccccc21 ZINC000527510120 387588036 /nfs/dbraw/zinc/58/80/36/387588036.db2.gz PIUPYSADIXTDMA-HNNXBMFYSA-N 0 3 247.357 3.888 20 0 BHADHN CCCN(CC1(F)CC1)[C@@H]1CCc2ccccc21 ZINC000527510121 387588928 /nfs/dbraw/zinc/58/89/28/387588928.db2.gz PIUPYSADIXTDMA-OAHLLOKOSA-N 0 3 247.357 3.888 20 0 BHADHN Cc1ccccc1[C@H]1C[C@H](C)N(CC2(F)CC2)C1 ZINC000527510390 398170193 /nfs/dbraw/zinc/17/01/93/398170193.db2.gz JNNSXBPZMYGKCO-KBPBESRZSA-N 0 3 247.357 3.675 20 0 BHADHN Cc1ccccc1[C@H]1C[C@@H](C)N(CC2(F)CC2)C1 ZINC000527510391 262850281 /nfs/dbraw/zinc/85/02/81/262850281.db2.gz JNNSXBPZMYGKCO-KGLIPLIRSA-N 0 3 247.357 3.675 20 0 BHADHN Cc1ccccc1[C@@H]1C[C@H](C)N(CC2(F)CC2)C1 ZINC000527510392 262850448 /nfs/dbraw/zinc/85/04/48/262850448.db2.gz JNNSXBPZMYGKCO-UONOGXRCSA-N 0 3 247.357 3.675 20 0 BHADHN Cc1ccccc1[C@@H]1C[C@@H](C)N(CC2(F)CC2)C1 ZINC000527510393 398170297 /nfs/dbraw/zinc/17/02/97/398170297.db2.gz JNNSXBPZMYGKCO-ZIAGYGMSSA-N 0 3 247.357 3.675 20 0 BHADHN Cc1ccc(C(C)(C)CN(C)CC2(F)CC2)cc1 ZINC000527510554 398170288 /nfs/dbraw/zinc/17/02/88/398170288.db2.gz LSYKJEZSLPIRRU-UHFFFAOYSA-N 0 3 249.373 3.707 20 0 BHADHN CC[C@@H](Cc1ccc(C)cc1)N(C)CC1(F)CC1 ZINC000527510831 387590107 /nfs/dbraw/zinc/59/01/07/387590107.db2.gz LMWRLYYMZPMCOP-HNNXBMFYSA-N 0 3 249.373 3.750 20 0 BHADHN CC[C@H](Cc1ccc(C)cc1)N(C)CC1(F)CC1 ZINC000527510832 387589488 /nfs/dbraw/zinc/58/94/88/387589488.db2.gz LMWRLYYMZPMCOP-OAHLLOKOSA-N 0 3 249.373 3.750 20 0 BHADHN FC1(CNCCc2csc3ccccc23)CC1 ZINC000527518168 387594036 /nfs/dbraw/zinc/59/40/36/387594036.db2.gz OIVFCGABYCDLBZ-UHFFFAOYSA-N 0 3 249.354 3.536 20 0 BHADHN Cc1ccccc1C1CCN(CC2(F)CC2)CC1 ZINC000527525016 387595470 /nfs/dbraw/zinc/59/54/70/387595470.db2.gz BFPDWWDQWJRUHT-UHFFFAOYSA-N 0 3 247.357 3.677 20 0 BHADHN CCc1ccc(C(C)(C)CNCC2(F)CC2)cc1 ZINC000527529129 387598610 /nfs/dbraw/zinc/59/86/10/387598610.db2.gz ODBBLFVNIWRGNF-UHFFFAOYSA-N 0 3 249.373 3.618 20 0 BHADHN Cc1ccc2[nH]c(CN3[C@@H](C)C[C@@H]3C)cc2c1C ZINC000527529582 387598314 /nfs/dbraw/zinc/59/83/14/387598314.db2.gz DVBMREUVZKUGCX-RYUDHWBXSA-N 0 3 242.366 3.767 20 0 BHADHN Cc1ccc2[nH]c(CN3[C@H](C)C[C@@H]3C)cc2c1C ZINC000527529583 387597760 /nfs/dbraw/zinc/59/77/60/387597760.db2.gz DVBMREUVZKUGCX-TXEJJXNPSA-N 0 3 242.366 3.767 20 0 BHADHN Cc1ccc2[nH]c(CN3[C@H](C)C[C@H]3C)cc2c1C ZINC000527529584 387597736 /nfs/dbraw/zinc/59/77/36/387597736.db2.gz DVBMREUVZKUGCX-VXGBXAGGSA-N 0 3 242.366 3.767 20 0 BHADHN Cc1cc(CN(C)[C@@H](C)c2ccccc2)ccn1 ZINC000527535671 387629141 /nfs/dbraw/zinc/62/91/41/387629141.db2.gz UWOZCPAGCMWODY-AWEZNQCLSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cc(CN(C)[C@H](C)c2ccccc2)ccn1 ZINC000527535673 387631371 /nfs/dbraw/zinc/63/13/71/387631371.db2.gz UWOZCPAGCMWODY-CQSZACIVSA-N 0 3 240.350 3.583 20 0 BHADHN Cc1cc(CN2CCC3(CCCC3)CC2)ccn1 ZINC000527535933 262863235 /nfs/dbraw/zinc/86/32/35/262863235.db2.gz VMNQJOTYUBZCQB-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN Cc1cc(CN2CC=C(C(C)(C)C)CC2)ccn1 ZINC000527538835 387606421 /nfs/dbraw/zinc/60/64/21/387606421.db2.gz NLJBISHFFCUURR-UHFFFAOYSA-N 0 3 244.382 3.568 20 0 BHADHN CC[C@@H](C)NCc1c(F)ccc(F)c1Cl ZINC000527629716 387641536 /nfs/dbraw/zinc/64/15/36/387641536.db2.gz ORCQFGHXKOPHIS-SSDOTTSWSA-N 0 3 233.689 3.506 20 0 BHADHN CC[C@H](C)NCc1c(F)ccc(F)c1Cl ZINC000527629717 387641524 /nfs/dbraw/zinc/64/15/24/387641524.db2.gz ORCQFGHXKOPHIS-ZETCQYMHSA-N 0 3 233.689 3.506 20 0 BHADHN CCCCNCc1ccsc1C(F)(F)F ZINC000527630127 387641847 /nfs/dbraw/zinc/64/18/47/387641847.db2.gz WEOAQQSTRFZQGP-UHFFFAOYSA-N 0 3 237.290 3.657 20 0 BHADHN Fc1ccc(F)c(CNC2CCCC2)c1Cl ZINC000527630185 387641367 /nfs/dbraw/zinc/64/13/67/387641367.db2.gz YMNSKIZQCYSFNU-UHFFFAOYSA-N 0 3 245.700 3.650 20 0 BHADHN CC1(CNCc2ccsc2C(F)(F)F)CC1 ZINC000527670554 387654144 /nfs/dbraw/zinc/65/41/44/387654144.db2.gz QFVQWOJMGYXKLE-UHFFFAOYSA-N 0 3 249.301 3.657 20 0 BHADHN CC1CC(NCc2ccsc2C(F)(F)F)C1 ZINC000527671295 387654246 /nfs/dbraw/zinc/65/42/46/387654246.db2.gz UAYFDXIPZMUDHS-UHFFFAOYSA-N 0 3 249.301 3.655 20 0 BHADHN CC(C)=CCNCc1ccsc1C(F)(F)F ZINC000527699727 517407204 /nfs/dbraw/zinc/40/72/04/517407204.db2.gz KTMHSWCOIHZJOU-UHFFFAOYSA-N 0 3 249.301 3.823 20 0 BHADHN C[C@@H]1CC[C@@H]1NCc1ccsc1C(F)(F)F ZINC000527710515 387669914 /nfs/dbraw/zinc/66/99/14/387669914.db2.gz ULYHQTQDXRCQBU-APPZFPTMSA-N 0 3 249.301 3.655 20 0 BHADHN C[C@H]1CC[C@@H]1NCc1ccsc1C(F)(F)F ZINC000527710517 387669827 /nfs/dbraw/zinc/66/98/27/387669827.db2.gz ULYHQTQDXRCQBU-CBAPKCEASA-N 0 3 249.301 3.655 20 0 BHADHN C[C@H]1CC[C@H]1NCc1ccsc1C(F)(F)F ZINC000527710519 262875131 /nfs/dbraw/zinc/87/51/31/262875131.db2.gz ULYHQTQDXRCQBU-IONNQARKSA-N 0 3 249.301 3.655 20 0 BHADHN C[C@@H]1CC[C@H]1NCc1ccsc1C(F)(F)F ZINC000527710520 262874959 /nfs/dbraw/zinc/87/49/59/262874959.db2.gz ULYHQTQDXRCQBU-VXNVDRBHSA-N 0 3 249.301 3.655 20 0 BHADHN C[C@@H](NCc1c(F)ccc(F)c1Cl)C1CC1 ZINC000527713743 387670813 /nfs/dbraw/zinc/67/08/13/387670813.db2.gz SFXGKLBNCHFRJT-SSDOTTSWSA-N 0 3 245.700 3.506 20 0 BHADHN C[C@H](NCc1c(F)ccc(F)c1Cl)C1CC1 ZINC000527713746 387669883 /nfs/dbraw/zinc/66/98/83/387669883.db2.gz SFXGKLBNCHFRJT-ZETCQYMHSA-N 0 3 245.700 3.506 20 0 BHADHN CC1(C)C[C@@H]1NCc1ccsc1C(F)(F)F ZINC000527716925 387672437 /nfs/dbraw/zinc/67/24/37/387672437.db2.gz AWGUWHIFQIEXFK-QMMMGPOBSA-N 0 3 249.301 3.655 20 0 BHADHN F[C@@H]1CCCC[C@H]1NCc1ccc2cc[nH]c2c1 ZINC000527718838 387673817 /nfs/dbraw/zinc/67/38/17/387673817.db2.gz GCGVZLHITNVQFR-ZIAGYGMSSA-N 0 3 246.329 3.538 20 0 BHADHN CC(C)Cc1ccccc1CNCc1cc[nH]c1 ZINC000527735043 387682960 /nfs/dbraw/zinc/68/29/60/387682960.db2.gz WXSDADRSRQARNW-UHFFFAOYSA-N 0 3 242.366 3.503 20 0 BHADHN CC(C)(NCC1CC1)c1nc2ccccc2s1 ZINC000527742565 387687952 /nfs/dbraw/zinc/68/79/52/387687952.db2.gz CQBWRTQDGMGNMJ-UHFFFAOYSA-N 0 3 246.379 3.531 20 0 BHADHN Fc1ccc(Cl)cc1CNCC1CC=CC1 ZINC000527744346 387689061 /nfs/dbraw/zinc/68/90/61/387689061.db2.gz LQZARMCOKLHFPM-UHFFFAOYSA-N 0 3 239.721 3.535 20 0 BHADHN CC(C)CNC(C)(C)c1nc2ccccc2s1 ZINC000527749313 323676668 /nfs/dbraw/zinc/67/66/68/323676668.db2.gz YUJWTGZEJCAKHE-UHFFFAOYSA-N 0 3 248.395 3.777 20 0 BHADHN Fc1ccc(CNCC2CC=CC2)c(Cl)c1 ZINC000527749989 323676750 /nfs/dbraw/zinc/67/67/50/323676750.db2.gz BJFQOENYEJMACG-UHFFFAOYSA-N 0 3 239.721 3.535 20 0 BHADHN Fc1cccc(Cl)c1CNCC1CC=CC1 ZINC000527750397 323677757 /nfs/dbraw/zinc/67/77/57/323677757.db2.gz LDDZVNQRNZQYET-UHFFFAOYSA-N 0 3 239.721 3.535 20 0 BHADHN CC[C@@H](CCc1ccccc1)NCc1ccco1 ZINC000527760692 323682298 /nfs/dbraw/zinc/68/22/98/323682298.db2.gz HQBHCCLZIXOZEK-HNNXBMFYSA-N 0 3 243.350 3.781 20 0 BHADHN CC[C@H](CCc1ccccc1)NCc1ccco1 ZINC000527760694 387698942 /nfs/dbraw/zinc/69/89/42/387698942.db2.gz HQBHCCLZIXOZEK-OAHLLOKOSA-N 0 3 243.350 3.781 20 0 BHADHN Cc1cccc([C@@H](NCc2cc[nH]c2)C(C)C)c1 ZINC000527814468 323698481 /nfs/dbraw/zinc/69/84/81/323698481.db2.gz SCTUNIJPMYZTGM-INIZCTEOSA-N 0 3 242.366 3.810 20 0 BHADHN Cc1cccc([C@H](NCc2cc[nH]c2)C(C)C)c1 ZINC000527814469 323698155 /nfs/dbraw/zinc/69/81/55/323698155.db2.gz SCTUNIJPMYZTGM-MRXNPFEDSA-N 0 3 242.366 3.810 20 0 BHADHN CC[C@H](NCc1cc[nH]c1)c1cc(C)ccc1C ZINC000527821323 387742319 /nfs/dbraw/zinc/74/23/19/387742319.db2.gz NCWDRDSQTZRFNM-INIZCTEOSA-N 0 3 242.366 3.872 20 0 BHADHN CC[C@@H](NCc1cc[nH]c1)c1cc(C)ccc1C ZINC000527821328 387743900 /nfs/dbraw/zinc/74/39/00/387743900.db2.gz NCWDRDSQTZRFNM-MRXNPFEDSA-N 0 3 242.366 3.872 20 0 BHADHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)[C@H]1CC12CC2 ZINC000527848225 387753929 /nfs/dbraw/zinc/75/39/29/387753929.db2.gz IURPHSCTKGCQHL-MHDGFBEUSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1CC12CC2 ZINC000527848227 387754001 /nfs/dbraw/zinc/75/40/01/387754001.db2.gz IURPHSCTKGCQHL-RFHZTLPTSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)[C@H]1CC12CC2 ZINC000527848229 387755406 /nfs/dbraw/zinc/75/54/06/387755406.db2.gz IURPHSCTKGCQHL-UVLXDEKHSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1CC12CC2 ZINC000527848233 387755268 /nfs/dbraw/zinc/75/52/68/387755268.db2.gz IURPHSCTKGCQHL-XWUBHJNHSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@H](NC1(c2ccccc2F)CC1)[C@@H]1CC12CC2 ZINC000527888247 387772945 /nfs/dbraw/zinc/77/29/45/387772945.db2.gz UTAOBVORPJMKBE-AAEUAGOBSA-N 0 3 245.341 3.593 20 0 BHADHN C[C@@H](NC1(c2ccccc2F)CC1)[C@H]1CC12CC2 ZINC000527888248 387772164 /nfs/dbraw/zinc/77/21/64/387772164.db2.gz UTAOBVORPJMKBE-DGCLKSJQSA-N 0 3 245.341 3.593 20 0 BHADHN C[C@H](NC1(c2ccccc2F)CC1)[C@H]1CC12CC2 ZINC000527888249 387772492 /nfs/dbraw/zinc/77/24/92/387772492.db2.gz UTAOBVORPJMKBE-WCQYABFASA-N 0 3 245.341 3.593 20 0 BHADHN C[C@@H](NC1(c2ccccc2F)CC1)[C@@H]1CC12CC2 ZINC000527888250 387772653 /nfs/dbraw/zinc/77/26/53/387772653.db2.gz UTAOBVORPJMKBE-YPMHNXCESA-N 0 3 245.341 3.593 20 0 BHADHN Cc1csc([C@H](C)NCC2CC(C)(C)C2)n1 ZINC000527897139 262892934 /nfs/dbraw/zinc/89/29/34/262892934.db2.gz ZZKFGZBRMWRMKS-JTQLQIEISA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@@H](C)NCC2CC(C)(C)C2)n1 ZINC000527897141 262892824 /nfs/dbraw/zinc/89/28/24/262892824.db2.gz ZZKFGZBRMWRMKS-SNVBAGLBSA-N 0 3 238.400 3.538 20 0 BHADHN CC(C)c1cccc([C@H](C)N[C@H]2CO[C@H](C)C2)c1 ZINC000527909205 387764322 /nfs/dbraw/zinc/76/43/22/387764322.db2.gz IHNGKLXVNQYKPB-DVOMOZLQSA-N 0 3 247.382 3.638 20 0 BHADHN CC(C)c1cccc([C@@H](C)N[C@@H]2CO[C@H](C)C2)c1 ZINC000527909208 387764945 /nfs/dbraw/zinc/76/49/45/387764945.db2.gz IHNGKLXVNQYKPB-IOASZLSFSA-N 0 3 247.382 3.638 20 0 BHADHN CC(C)c1cccc([C@H](C)N[C@@H]2CO[C@H](C)C2)c1 ZINC000527909211 323719258 /nfs/dbraw/zinc/71/92/58/323719258.db2.gz IHNGKLXVNQYKPB-WWGRRREGSA-N 0 3 247.382 3.638 20 0 BHADHN CC(C)c1cccc([C@@H](C)N[C@H]2CO[C@H](C)C2)c1 ZINC000527909214 387764047 /nfs/dbraw/zinc/76/40/47/387764047.db2.gz IHNGKLXVNQYKPB-XJKCOSOUSA-N 0 3 247.382 3.638 20 0 BHADHN C[C@H](NCC[C@@H]1CCCC1(C)C)c1ccccn1 ZINC000527914398 387786455 /nfs/dbraw/zinc/78/64/55/387786455.db2.gz BJUBZCSDMQMSEZ-KBPBESRZSA-N 0 3 246.398 3.949 20 0 BHADHN C[C@@H](NCC[C@@H]1CCCC1(C)C)c1ccccn1 ZINC000527914402 387786882 /nfs/dbraw/zinc/78/68/82/387786882.db2.gz BJUBZCSDMQMSEZ-KGLIPLIRSA-N 0 3 246.398 3.949 20 0 BHADHN C[C@H](NCC[C@H]1CCCC1(C)C)c1ccccn1 ZINC000527914406 387786937 /nfs/dbraw/zinc/78/69/37/387786937.db2.gz BJUBZCSDMQMSEZ-UONOGXRCSA-N 0 3 246.398 3.949 20 0 BHADHN C[C@@H](NCC[C@H]1CCCC1(C)C)c1ccccn1 ZINC000527914410 387785716 /nfs/dbraw/zinc/78/57/16/387785716.db2.gz BJUBZCSDMQMSEZ-ZIAGYGMSSA-N 0 3 246.398 3.949 20 0 BHADHN C[C@@H](NCC[C@H]1CC=CCC1)c1nccs1 ZINC000527981411 387797990 /nfs/dbraw/zinc/79/79/90/387797990.db2.gz JCVKBYCJVWBXQL-NEPJUHHUSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@H](NCC[C@@H]1CC=CCC1)c1nccs1 ZINC000527981413 387798275 /nfs/dbraw/zinc/79/82/75/387798275.db2.gz JCVKBYCJVWBXQL-NWDGAFQWSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@H](NCC[C@H]1CC=CCC1)c1nccs1 ZINC000527981416 387797608 /nfs/dbraw/zinc/79/76/08/387797608.db2.gz JCVKBYCJVWBXQL-RYUDHWBXSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@@H](NCC[C@@H]1CC=CCC1)c1nccs1 ZINC000527981417 387798258 /nfs/dbraw/zinc/79/82/58/387798258.db2.gz JCVKBYCJVWBXQL-VXGBXAGGSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@@H](NCC[C@@H]1CC=CCC1)c1ccncc1F ZINC000527983359 387799401 /nfs/dbraw/zinc/79/94/01/387799401.db2.gz WTIQQCBAZWKKLU-CHWSQXEVSA-N 0 3 248.345 3.618 20 0 BHADHN C[C@@H](NCC[C@H]1CC=CCC1)c1ccncc1F ZINC000527983362 387799352 /nfs/dbraw/zinc/79/93/52/387799352.db2.gz WTIQQCBAZWKKLU-OLZOCXBDSA-N 0 3 248.345 3.618 20 0 BHADHN C[C@H](NCC[C@@H]1CC=CCC1)c1ccncc1F ZINC000527983366 387802167 /nfs/dbraw/zinc/80/21/67/387802167.db2.gz WTIQQCBAZWKKLU-QWHCGFSZSA-N 0 3 248.345 3.618 20 0 BHADHN C[C@H](NCC[C@H]1CC=CCC1)c1ccncc1F ZINC000527983369 387801632 /nfs/dbraw/zinc/80/16/32/387801632.db2.gz WTIQQCBAZWKKLU-STQMWFEESA-N 0 3 248.345 3.618 20 0 BHADHN Cc1cc([C@@H](C)NCc2cccnc2C)cs1 ZINC000527983699 387801515 /nfs/dbraw/zinc/80/15/15/387801515.db2.gz CACRTOZQJRDKAK-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc([C@H](C)NCc2cccnc2C)cs1 ZINC000527983700 387802231 /nfs/dbraw/zinc/80/22/31/387802231.db2.gz CACRTOZQJRDKAK-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccsc1[C@@H](C)NCc1cccnc1C ZINC000527985499 387802402 /nfs/dbraw/zinc/80/24/02/387802402.db2.gz IMLVMEYLBKTTDP-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccsc1[C@H](C)NCc1cccnc1C ZINC000527985501 262898542 /nfs/dbraw/zinc/89/85/42/262898542.db2.gz IMLVMEYLBKTTDP-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC[C@H](NCc1cccnc1C)c1ccsc1 ZINC000527985650 387802050 /nfs/dbraw/zinc/80/20/50/387802050.db2.gz HYKBKBHSPFSOKV-AWEZNQCLSA-N 0 3 246.379 3.692 20 0 BHADHN CC[C@@H](NCc1cccnc1C)c1ccsc1 ZINC000527985654 387801258 /nfs/dbraw/zinc/80/12/58/387801258.db2.gz HYKBKBHSPFSOKV-CQSZACIVSA-N 0 3 246.379 3.692 20 0 BHADHN C[C@@H](NCC[C@@H]1CC=CCC1)c1ccco1 ZINC000527988349 262898720 /nfs/dbraw/zinc/89/87/20/262898720.db2.gz XHGJEGDHEZGIAU-CHWSQXEVSA-N 0 3 219.328 3.677 20 0 BHADHN C[C@@H](NCC[C@H]1CC=CCC1)c1ccco1 ZINC000527988351 387803360 /nfs/dbraw/zinc/80/33/60/387803360.db2.gz XHGJEGDHEZGIAU-OLZOCXBDSA-N 0 3 219.328 3.677 20 0 BHADHN C[C@H](NCC[C@@H]1CC=CCC1)c1ccco1 ZINC000527988352 262898836 /nfs/dbraw/zinc/89/88/36/262898836.db2.gz XHGJEGDHEZGIAU-QWHCGFSZSA-N 0 3 219.328 3.677 20 0 BHADHN C[C@H](NCC[C@H]1CC=CCC1)c1ccco1 ZINC000527988354 387803570 /nfs/dbraw/zinc/80/35/70/387803570.db2.gz XHGJEGDHEZGIAU-STQMWFEESA-N 0 3 219.328 3.677 20 0 BHADHN C[C@@H](NCC[C@H]1CC=CCC1)c1cscn1 ZINC000527989016 387804326 /nfs/dbraw/zinc/80/43/26/387804326.db2.gz ZNEGYFNHRUPBIR-NEPJUHHUSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@H](NCC[C@@H]1CC=CCC1)c1cscn1 ZINC000527989018 387804408 /nfs/dbraw/zinc/80/44/08/387804408.db2.gz ZNEGYFNHRUPBIR-NWDGAFQWSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@H](NCC[C@H]1CC=CCC1)c1cscn1 ZINC000527989021 387803719 /nfs/dbraw/zinc/80/37/19/387803719.db2.gz ZNEGYFNHRUPBIR-RYUDHWBXSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@@H](NCC[C@@H]1CC=CCC1)c1cscn1 ZINC000527989023 387803442 /nfs/dbraw/zinc/80/34/42/387803442.db2.gz ZNEGYFNHRUPBIR-VXGBXAGGSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@@H](NCC[C@@H]1CC=CCC1)c1ccc(F)cn1 ZINC000527989190 387803542 /nfs/dbraw/zinc/80/35/42/387803542.db2.gz ZZQWSJURMVKNLA-CHWSQXEVSA-N 0 3 248.345 3.618 20 0 BHADHN C[C@@H](NCC[C@H]1CC=CCC1)c1ccc(F)cn1 ZINC000527989191 387804437 /nfs/dbraw/zinc/80/44/37/387804437.db2.gz ZZQWSJURMVKNLA-OLZOCXBDSA-N 0 3 248.345 3.618 20 0 BHADHN C[C@H](NCC[C@@H]1CC=CCC1)c1ccc(F)cn1 ZINC000527989192 387803989 /nfs/dbraw/zinc/80/39/89/387803989.db2.gz ZZQWSJURMVKNLA-QWHCGFSZSA-N 0 3 248.345 3.618 20 0 BHADHN C[C@H](NCC[C@H]1CC=CCC1)c1ccc(F)cn1 ZINC000527989193 387804544 /nfs/dbraw/zinc/80/45/44/387804544.db2.gz ZZQWSJURMVKNLA-STQMWFEESA-N 0 3 248.345 3.618 20 0 BHADHN C[C@H](NC1CCC2(CC2)CC1)c1ncccc1F ZINC000528034728 387816982 /nfs/dbraw/zinc/81/69/82/387816982.db2.gz BHVQSZRNTQJXHX-NSHDSACASA-N 0 3 248.345 3.594 20 0 BHADHN C[C@H](NC1CCCCCC1)c1ncccc1F ZINC000528035485 387817199 /nfs/dbraw/zinc/81/71/99/387817199.db2.gz HNRMBYOALWSXGL-NSHDSACASA-N 0 3 236.334 3.594 20 0 BHADHN C[C@H](N[C@H]1CCC12CCCC2)c1ncccc1F ZINC000528036638 323743585 /nfs/dbraw/zinc/74/35/85/323743585.db2.gz WHWGXEDVCKYCIH-AAEUAGOBSA-N 0 3 248.345 3.594 20 0 BHADHN C[C@H](N[C@@H]1CCC12CCCC2)c1ncccc1F ZINC000528036639 323744169 /nfs/dbraw/zinc/74/41/69/323744169.db2.gz WHWGXEDVCKYCIH-WCQYABFASA-N 0 3 248.345 3.594 20 0 BHADHN CCCC(CCC)N[C@@H](C)c1ncccc1F ZINC000528036702 387818653 /nfs/dbraw/zinc/81/86/53/387818653.db2.gz UOJHAGPXMRUTJU-NSHDSACASA-N 0 3 238.350 3.840 20 0 BHADHN C[C@H](CC(C)(C)C)N[C@@H](C)c1ncccc1F ZINC000528037638 387820651 /nfs/dbraw/zinc/82/06/51/387820651.db2.gz KGQPUFFOIYYYJO-MNOVXSKESA-N 0 3 238.350 3.696 20 0 BHADHN C[C@@H](CC(C)(C)C)N[C@@H](C)c1ncccc1F ZINC000528037639 387819663 /nfs/dbraw/zinc/81/96/63/387819663.db2.gz KGQPUFFOIYYYJO-QWRGUYRKSA-N 0 3 238.350 3.696 20 0 BHADHN CC(C)CN(Cc1ncccc1Cl)C(C)C ZINC000528351441 387906496 /nfs/dbraw/zinc/90/64/96/387906496.db2.gz OJYSFTVAZDXSJW-UHFFFAOYSA-N 0 3 240.778 3.601 20 0 BHADHN CCN(Cc1nc2cc(C)ccc2s1)C(C)C ZINC000528354563 387907498 /nfs/dbraw/zinc/90/74/98/387907498.db2.gz QONJDNVLYJNOSM-UHFFFAOYSA-N 0 3 248.395 3.835 20 0 BHADHN Cc1cc([C@H]2CCCN2CC2CC(C)(C)C2)on1 ZINC000528356676 387908125 /nfs/dbraw/zinc/90/81/25/387908125.db2.gz MAUAIWUJPWUIGK-CYBMUJFWSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cc([C@@H]2CCCN2CC2CC(C)(C)C2)on1 ZINC000528356682 387908710 /nfs/dbraw/zinc/90/87/10/387908710.db2.gz MAUAIWUJPWUIGK-ZDUSSCGKSA-N 0 3 248.370 3.556 20 0 BHADHN CCN(Cc1ncccc1Cl)[C@H](C)C(C)C ZINC000528356841 387909237 /nfs/dbraw/zinc/90/92/37/387909237.db2.gz FAVFVCPCEBJABE-LLVKDONJSA-N 0 3 240.778 3.601 20 0 BHADHN CCN(Cc1ncccc1Cl)[C@@H](C)C(C)C ZINC000528356842 387907440 /nfs/dbraw/zinc/90/74/40/387907440.db2.gz FAVFVCPCEBJABE-NSHDSACASA-N 0 3 240.778 3.601 20 0 BHADHN CCCN(CC)Cc1nc2cc(C)ccc2s1 ZINC000528360158 387911321 /nfs/dbraw/zinc/91/13/21/387911321.db2.gz NGWHBSHUNQPZOB-UHFFFAOYSA-N 0 3 248.395 3.837 20 0 BHADHN Cc1ccc2sc(CN(C)CC(C)C)nc2c1 ZINC000528360269 387911106 /nfs/dbraw/zinc/91/11/06/387911106.db2.gz NYNZGGFIJBKJML-UHFFFAOYSA-N 0 3 248.395 3.693 20 0 BHADHN CCCN(Cc1ncccc1Cl)CC(C)C ZINC000528368739 388451782 /nfs/dbraw/zinc/45/17/82/388451782.db2.gz WBVGUUNUCSNZIK-UHFFFAOYSA-N 0 3 240.778 3.603 20 0 BHADHN C/C(Cl)=C/CNC(C)(C)c1ccccc1 ZINC000528371834 388451240 /nfs/dbraw/zinc/45/12/40/388451240.db2.gz JFMDASDKRIUBQX-LUAWRHEFSA-N 0 3 223.747 3.654 20 0 BHADHN C/C(Cl)=C\CNC(C)(C)c1ccccc1 ZINC000528371835 388452113 /nfs/dbraw/zinc/45/21/13/388452113.db2.gz JFMDASDKRIUBQX-PKNBQFBNSA-N 0 3 223.747 3.654 20 0 BHADHN C/C(Cl)=C\CN(C1CC1)C1CCCC1 ZINC000528379688 388518141 /nfs/dbraw/zinc/51/81/41/388518141.db2.gz JKLRCKLMAQSBAO-CSKARUKUSA-N 0 3 213.752 3.536 20 0 BHADHN C/C(Cl)=C/CN(C1CC1)C1CCCC1 ZINC000528379689 388518646 /nfs/dbraw/zinc/51/86/46/388518646.db2.gz JKLRCKLMAQSBAO-NTMALXAHSA-N 0 3 213.752 3.536 20 0 BHADHN CCC(CC)(CC)NCc1ncccc1Cl ZINC000528415375 388521262 /nfs/dbraw/zinc/52/12/62/388521262.db2.gz ILTCYJJYBZKQRH-UHFFFAOYSA-N 0 3 240.778 3.793 20 0 BHADHN CC[C@@H](C)N(C)Cc1nc2cc(C)ccc2s1 ZINC000528415696 388520623 /nfs/dbraw/zinc/52/06/23/388520623.db2.gz MXPSJNBKRDDYQG-LLVKDONJSA-N 0 3 248.395 3.835 20 0 BHADHN CC[C@H](C)N(C)Cc1nc2cc(C)ccc2s1 ZINC000528415699 388520899 /nfs/dbraw/zinc/52/08/99/388520899.db2.gz MXPSJNBKRDDYQG-NSHDSACASA-N 0 3 248.395 3.835 20 0 BHADHN C[C@H](c1ccccn1)N(C)CC1CC(C)(C)C1 ZINC000528423376 388522212 /nfs/dbraw/zinc/52/22/12/388522212.db2.gz LJMBWZBCTSTQAW-GFCCVEGCSA-N 0 3 232.371 3.511 20 0 BHADHN C[C@@H](c1ccccn1)N(C)CC1CC(C)(C)C1 ZINC000528423379 388522761 /nfs/dbraw/zinc/52/27/61/388522761.db2.gz LJMBWZBCTSTQAW-LBPRGKRZSA-N 0 3 232.371 3.511 20 0 BHADHN C/C(Cl)=C\CN[C@H](c1cccs1)C1CC1 ZINC000528434019 388525549 /nfs/dbraw/zinc/52/55/49/388525549.db2.gz SLBWRSVFPIFKLF-LZGFCCKTSA-N 0 3 241.787 3.931 20 0 BHADHN C/C(Cl)=C/CN[C@@H](c1cccs1)C1CC1 ZINC000528434022 388525481 /nfs/dbraw/zinc/52/54/81/388525481.db2.gz SLBWRSVFPIFKLF-OJIASSBASA-N 0 3 241.787 3.931 20 0 BHADHN C/C(Cl)=C/CN[C@H](c1cccs1)C1CC1 ZINC000528434025 388524655 /nfs/dbraw/zinc/52/46/55/388524655.db2.gz SLBWRSVFPIFKLF-PWWFUAJNSA-N 0 3 241.787 3.931 20 0 BHADHN C/C(Cl)=C\CN[C@@H](c1cccs1)C1CC1 ZINC000528434029 262947312 /nfs/dbraw/zinc/94/73/12/262947312.db2.gz SLBWRSVFPIFKLF-UVMWJGKXSA-N 0 3 241.787 3.931 20 0 BHADHN CC[C@@H](NCc1ncccc1Cl)C(C)(C)C ZINC000528437544 388526676 /nfs/dbraw/zinc/52/66/76/388526676.db2.gz IQGALPQKQCPLIN-GFCCVEGCSA-N 0 3 240.778 3.649 20 0 BHADHN CC[C@H](NCc1ncccc1Cl)C(C)(C)C ZINC000528437546 388526186 /nfs/dbraw/zinc/52/61/86/388526186.db2.gz IQGALPQKQCPLIN-LBPRGKRZSA-N 0 3 240.778 3.649 20 0 BHADHN C/C(Cl)=C\CN[C@H](c1ccccc1)C1CC1 ZINC000528437898 388526263 /nfs/dbraw/zinc/52/62/63/388526263.db2.gz KCOOGISSMRAHRZ-CFRMROPGSA-N 0 3 235.758 3.870 20 0 BHADHN C/C(Cl)=C/CN[C@@H](c1ccccc1)C1CC1 ZINC000528437899 262947643 /nfs/dbraw/zinc/94/76/43/262947643.db2.gz KCOOGISSMRAHRZ-FPAJZGIOSA-N 0 3 235.758 3.870 20 0 BHADHN C/C(Cl)=C\CN[C@@H](c1ccccc1)C1CC1 ZINC000528437901 388526268 /nfs/dbraw/zinc/52/62/68/388526268.db2.gz KCOOGISSMRAHRZ-MARXPDLDSA-N 0 3 235.758 3.870 20 0 BHADHN C/C(Cl)=C/CN[C@H](c1ccccc1)C1CC1 ZINC000528437902 388526497 /nfs/dbraw/zinc/52/64/97/388526497.db2.gz KCOOGISSMRAHRZ-RBJHHQRMSA-N 0 3 235.758 3.870 20 0 BHADHN CC[C@@H](NCC1CC(C)(C)C1)c1nccs1 ZINC000528438196 388525700 /nfs/dbraw/zinc/52/57/00/388525700.db2.gz AZHRDKAUWUJVGE-LLVKDONJSA-N 0 3 238.400 3.620 20 0 BHADHN CC[C@H](NCC1CC(C)(C)C1)c1nccs1 ZINC000528438201 388526130 /nfs/dbraw/zinc/52/61/30/388526130.db2.gz AZHRDKAUWUJVGE-NSHDSACASA-N 0 3 238.400 3.620 20 0 BHADHN C/C(Cl)=C\CNC(C)(C)c1cccs1 ZINC000528449467 388527727 /nfs/dbraw/zinc/52/77/27/388527727.db2.gz LXQLOBSEQVYSGD-RMKNXTFCSA-N 0 3 229.776 3.715 20 0 BHADHN C/C(Cl)=C/CNC(C)(C)c1cccs1 ZINC000528449469 262948937 /nfs/dbraw/zinc/94/89/37/262948937.db2.gz LXQLOBSEQVYSGD-TWGQIWQCSA-N 0 3 229.776 3.715 20 0 BHADHN Cc1cnc([C@H](C)NCC2CC(C)(C)C2)s1 ZINC000528451968 388528673 /nfs/dbraw/zinc/52/86/73/388528673.db2.gz NYSHIVOYYWISGS-JTQLQIEISA-N 0 3 238.400 3.538 20 0 BHADHN Cc1cnc([C@@H](C)NCC2CC(C)(C)C2)s1 ZINC000528451975 388528838 /nfs/dbraw/zinc/52/88/38/388528838.db2.gz NYSHIVOYYWISGS-SNVBAGLBSA-N 0 3 238.400 3.538 20 0 BHADHN C/C(Cl)=C/CN(C)C1CCC(F)(F)CC1 ZINC000528500405 262953925 /nfs/dbraw/zinc/95/39/25/262953925.db2.gz AOXXHSDOYXSDOW-UITAMQMPSA-N 0 3 237.721 3.639 20 0 BHADHN C/C(Cl)=C\CN(C)C1CCC(F)(F)CC1 ZINC000528500417 388535088 /nfs/dbraw/zinc/53/50/88/388535088.db2.gz AOXXHSDOYXSDOW-WEVVVXLNSA-N 0 3 237.721 3.639 20 0 BHADHN CCC(CC)N(CC)Cc1ncccc1Cl ZINC000528501397 388535445 /nfs/dbraw/zinc/53/54/45/388535445.db2.gz FYEPKSZZGMBYHE-UHFFFAOYSA-N 0 3 240.778 3.746 20 0 BHADHN C/C(Cl)=C\CN(C1CCC1)C1CCC1 ZINC000528511115 388538832 /nfs/dbraw/zinc/53/88/32/388538832.db2.gz CIZTZPCTVUPBGA-CSKARUKUSA-N 0 3 213.752 3.536 20 0 BHADHN C/C(Cl)=C/CN(C1CCC1)C1CCC1 ZINC000528511116 388538609 /nfs/dbraw/zinc/53/86/09/388538609.db2.gz CIZTZPCTVUPBGA-NTMALXAHSA-N 0 3 213.752 3.536 20 0 BHADHN CCC1(NCc2ncccc2Cl)CCCC1 ZINC000528515388 388509318 /nfs/dbraw/zinc/50/93/18/388509318.db2.gz FQYGVEGWFCFTMX-UHFFFAOYSA-N 0 3 238.762 3.547 20 0 BHADHN Cc1ccc2sc(CN(C)C(C)(C)C)nc2c1 ZINC000528537575 388545363 /nfs/dbraw/zinc/54/53/63/388545363.db2.gz JYRFAZCIQIFTPY-UHFFFAOYSA-N 0 3 248.395 3.835 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1ncccc1Cl ZINC000528546568 388545877 /nfs/dbraw/zinc/54/58/77/388545877.db2.gz AVLLYGZWGXIPCM-JTQLQIEISA-N 0 3 240.778 3.649 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1ncccc1Cl ZINC000528546569 388546262 /nfs/dbraw/zinc/54/62/62/388546262.db2.gz AVLLYGZWGXIPCM-SNVBAGLBSA-N 0 3 240.778 3.649 20 0 BHADHN CCCNC(C)(C)c1nc2ccccc2s1 ZINC000528613328 388551983 /nfs/dbraw/zinc/55/19/83/388551983.db2.gz NWXYRFHNGQRXOZ-UHFFFAOYSA-N 0 3 234.368 3.531 20 0 BHADHN CCCCNC(C)(C)c1nc2ccccc2s1 ZINC000528613451 388552382 /nfs/dbraw/zinc/55/23/82/388552382.db2.gz QMKQRDGXUOJIJK-UHFFFAOYSA-N 0 3 248.395 3.921 20 0 BHADHN c1ccc([C@H](N[C@@H]2C=CCCC2)C2CCC2)nc1 ZINC000528647273 388554370 /nfs/dbraw/zinc/55/43/70/388554370.db2.gz BUYZGUSCADWCNV-GDBMZVCRSA-N 0 3 242.366 3.621 20 0 BHADHN c1ccc([C@H](N[C@H]2C=CCCC2)C2CCC2)nc1 ZINC000528647274 388554775 /nfs/dbraw/zinc/55/47/75/388554775.db2.gz BUYZGUSCADWCNV-GOEBONIOSA-N 0 3 242.366 3.621 20 0 BHADHN c1ccc([C@@H](N[C@H]2C=CCCC2)C2CCC2)nc1 ZINC000528647275 388554299 /nfs/dbraw/zinc/55/42/99/388554299.db2.gz BUYZGUSCADWCNV-HOCLYGCPSA-N 0 3 242.366 3.621 20 0 BHADHN c1ccc([C@@H](N[C@@H]2C=CCCC2)C2CCC2)nc1 ZINC000528647276 388554276 /nfs/dbraw/zinc/55/42/76/388554276.db2.gz BUYZGUSCADWCNV-ZBFHGGJFSA-N 0 3 242.366 3.621 20 0 BHADHN Cc1ccccc1CN1CCC(F)(F)C[C@H]1C ZINC000528763969 388569183 /nfs/dbraw/zinc/56/91/83/388569183.db2.gz CAHHTIURGPDHEJ-GFCCVEGCSA-N 0 3 239.309 3.615 20 0 BHADHN Cc1ccccc1CN1CCC(F)(F)C[C@@H]1C ZINC000528763970 388569873 /nfs/dbraw/zinc/56/98/73/388569873.db2.gz CAHHTIURGPDHEJ-LBPRGKRZSA-N 0 3 239.309 3.615 20 0 BHADHN Cc1cccc(CN2CCC(F)(F)C[C@H]2C)c1 ZINC000528768953 388570422 /nfs/dbraw/zinc/57/04/22/388570422.db2.gz PQZXMMUNDJBWGA-GFCCVEGCSA-N 0 3 239.309 3.615 20 0 BHADHN Cc1cccc(CN2CCC(F)(F)C[C@@H]2C)c1 ZINC000528768955 388570440 /nfs/dbraw/zinc/57/04/40/388570440.db2.gz PQZXMMUNDJBWGA-LBPRGKRZSA-N 0 3 239.309 3.615 20 0 BHADHN Cc1ccc(CN2CCC(F)(F)C[C@H]2C)cc1 ZINC000528771339 388570500 /nfs/dbraw/zinc/57/05/00/388570500.db2.gz WXMLMRXWXCWHRB-GFCCVEGCSA-N 0 3 239.309 3.615 20 0 BHADHN Cc1ccc(CN2CCC(F)(F)C[C@@H]2C)cc1 ZINC000528771342 388570702 /nfs/dbraw/zinc/57/07/02/388570702.db2.gz WXMLMRXWXCWHRB-LBPRGKRZSA-N 0 3 239.309 3.615 20 0 BHADHN C[C@@H]1CC(F)(F)CCN1CC1=CCCCC1 ZINC000528773402 387692917 /nfs/dbraw/zinc/69/29/17/387692917.db2.gz PZPLGKWQRCVUPR-LLVKDONJSA-N 0 3 229.314 3.606 20 0 BHADHN C[C@H]1CC(F)(F)CCN1CC1=CCCCC1 ZINC000528773404 387692105 /nfs/dbraw/zinc/69/21/05/387692105.db2.gz PZPLGKWQRCVUPR-NSHDSACASA-N 0 3 229.314 3.606 20 0 BHADHN C[C@H](NCCC1=CCCCC1)c1ncccc1F ZINC000528822225 388576898 /nfs/dbraw/zinc/57/68/98/388576898.db2.gz ASLWBEJEYDZRQL-LBPRGKRZSA-N 0 3 248.345 3.762 20 0 BHADHN CC(C)N(C)Cc1ccsc1C(F)(F)F ZINC000529518149 324322410 /nfs/dbraw/zinc/32/24/10/324322410.db2.gz RUSHVBSCSDXPSL-UHFFFAOYSA-N 0 3 237.290 3.607 20 0 BHADHN CCN(CC)Cc1ccsc1C(F)(F)F ZINC000529519848 324322288 /nfs/dbraw/zinc/32/22/88/324322288.db2.gz YWFPMGWKYUFMMS-UHFFFAOYSA-N 0 3 237.290 3.609 20 0 BHADHN CCCN(C)Cc1ccsc1C(F)(F)F ZINC000529519853 324322229 /nfs/dbraw/zinc/32/22/29/324322229.db2.gz HWRFIKZGORLXRF-UHFFFAOYSA-N 0 3 237.290 3.609 20 0 BHADHN CN(Cc1ccsc1C(F)(F)F)CC1CC1 ZINC000529524772 324324826 /nfs/dbraw/zinc/32/48/26/324324826.db2.gz JCSVLHSZOSALOU-UHFFFAOYSA-N 0 3 249.301 3.609 20 0 BHADHN CN(Cc1ccsc1C(F)(F)F)C1CCC1 ZINC000529529910 324326067 /nfs/dbraw/zinc/32/60/67/324326067.db2.gz FNJYOHXGEZIWJL-UHFFFAOYSA-N 0 3 249.301 3.751 20 0 BHADHN CC1(NCc2ccsc2C(F)(F)F)CCC1 ZINC000529540685 324331443 /nfs/dbraw/zinc/33/14/43/324331443.db2.gz IHWZMJDJOJTMOW-UHFFFAOYSA-N 0 3 249.301 3.799 20 0 BHADHN Fc1ccc(CNCCC2=CCCCCC2)nc1 ZINC000529545490 323183511 /nfs/dbraw/zinc/18/35/11/323183511.db2.gz WZQJJNYJVJJWFO-UHFFFAOYSA-N 0 3 248.345 3.591 20 0 BHADHN Cc1cc(C)nc(N[C@@H](C)C2CC(F)(F)C2)c1 ZINC000529545543 324335178 /nfs/dbraw/zinc/33/51/78/324335178.db2.gz SOWUUHPKIZQWBG-JTQLQIEISA-N 0 3 240.297 3.544 20 0 BHADHN Cc1cc(C)nc(N[C@H](C)C2CC(F)(F)C2)c1 ZINC000529545545 324335117 /nfs/dbraw/zinc/33/51/17/324335117.db2.gz SOWUUHPKIZQWBG-SNVBAGLBSA-N 0 3 240.297 3.544 20 0 BHADHN c1cc2ccc(CN3CC4(C3)CCCC4)cc2[nH]1 ZINC000529569208 324346429 /nfs/dbraw/zinc/34/64/29/324346429.db2.gz LAIORBKVJHJLOX-UHFFFAOYSA-N 0 3 240.350 3.544 20 0 BHADHN CCC1(NCc2ccsc2C(F)(F)F)CC1 ZINC000529589545 324355117 /nfs/dbraw/zinc/35/51/17/324355117.db2.gz VKMBXSBSGWXNLO-UHFFFAOYSA-N 0 3 249.301 3.799 20 0 BHADHN C[C@H](CN[C@@H](C)c1ncccc1F)C(C)(C)C ZINC000529690065 324377574 /nfs/dbraw/zinc/37/75/74/324377574.db2.gz SCDIBTOMCFDDAM-MNOVXSKESA-N 0 3 238.350 3.554 20 0 BHADHN C[C@@H](CN[C@@H](C)c1ncccc1F)C(C)(C)C ZINC000529690066 324377517 /nfs/dbraw/zinc/37/75/17/324377517.db2.gz SCDIBTOMCFDDAM-QWRGUYRKSA-N 0 3 238.350 3.554 20 0 BHADHN C[C@@H](NCCCc1ccccc1F)c1ccoc1 ZINC000530370908 323383177 /nfs/dbraw/zinc/38/31/77/323383177.db2.gz UWKUAQHAUVUZGW-GFCCVEGCSA-N 0 3 247.313 3.702 20 0 BHADHN C[C@H](NCCCc1ccccc1F)c1ccoc1 ZINC000530370909 323383166 /nfs/dbraw/zinc/38/31/66/323383166.db2.gz UWKUAQHAUVUZGW-LBPRGKRZSA-N 0 3 247.313 3.702 20 0 BHADHN C[C@H](c1cccnc1)N1CCC(C(C)(C)C)CC1 ZINC000530461750 342752628 /nfs/dbraw/zinc/75/26/28/342752628.db2.gz AKHFOWATYHFPFJ-CYBMUJFWSA-N 0 3 246.398 3.901 20 0 BHADHN C[C@@H](c1cccnc1)N1CCC(C(C)(C)C)CC1 ZINC000530461751 342752730 /nfs/dbraw/zinc/75/27/30/342752730.db2.gz AKHFOWATYHFPFJ-ZDUSSCGKSA-N 0 3 246.398 3.901 20 0 BHADHN C[C@@H]1CN(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000530662874 385004885 /nfs/dbraw/zinc/00/48/85/385004885.db2.gz LSNHVYLUEDCCSA-PBHICJAKSA-N 0 3 237.346 3.880 20 0 BHADHN C[C@@H]1CN(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000530662877 385006396 /nfs/dbraw/zinc/00/63/96/385006396.db2.gz LSNHVYLUEDCCSA-RHSMWYFYSA-N 0 3 237.346 3.880 20 0 BHADHN C[C@H]1CN(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000530662878 385006302 /nfs/dbraw/zinc/00/63/02/385006302.db2.gz LSNHVYLUEDCCSA-WMLDXEAASA-N 0 3 237.346 3.880 20 0 BHADHN C[C@H]1CN(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000530662879 385005881 /nfs/dbraw/zinc/00/58/81/385005881.db2.gz LSNHVYLUEDCCSA-YOEHRIQHSA-N 0 3 237.346 3.880 20 0 BHADHN CC1CC(NCc2ccc(-c3ccccc3)o2)C1 ZINC000530729911 322891611 /nfs/dbraw/zinc/89/16/11/322891611.db2.gz LBYPXBCTWNDLLI-UHFFFAOYSA-N 0 3 241.334 3.835 20 0 BHADHN CC[C@@H](c1ccc(F)cc1F)N1CCC[C@@H]1C ZINC000530732931 343203538 /nfs/dbraw/zinc/20/35/38/343203538.db2.gz BUOOWGXRUIXSNR-HZMBPMFUSA-N 0 3 239.309 3.900 20 0 BHADHN CC[C@H](c1ccc(F)cc1F)N1CCC[C@@H]1C ZINC000530732935 343203514 /nfs/dbraw/zinc/20/35/14/343203514.db2.gz BUOOWGXRUIXSNR-IINYFYTJSA-N 0 3 239.309 3.900 20 0 BHADHN CC[C@H](c1ccc(F)cc1F)N1CCC[C@H]1C ZINC000530732936 343203520 /nfs/dbraw/zinc/20/35/20/343203520.db2.gz BUOOWGXRUIXSNR-QMTHXVAHSA-N 0 3 239.309 3.900 20 0 BHADHN CC[C@@H](c1ccc(F)cc1F)N1CCC[C@H]1C ZINC000530732937 343203556 /nfs/dbraw/zinc/20/35/56/343203556.db2.gz BUOOWGXRUIXSNR-YGRLFVJLSA-N 0 3 239.309 3.900 20 0 BHADHN C[C@@H]1CCN(Cc2ccccc2Cl)[C@@H]1C ZINC000530733118 343204281 /nfs/dbraw/zinc/20/42/81/343204281.db2.gz CLLMDETWIUYUFK-GHMZBOCLSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1CCN(Cc2ccccc2Cl)[C@H]1C ZINC000530733121 343204606 /nfs/dbraw/zinc/20/46/06/343204606.db2.gz CLLMDETWIUYUFK-MNOVXSKESA-N 0 3 223.747 3.570 20 0 BHADHN C[C@H]1CCN(Cc2ccccc2Cl)[C@H]1C ZINC000530733122 343204866 /nfs/dbraw/zinc/20/48/66/343204866.db2.gz CLLMDETWIUYUFK-QWRGUYRKSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1ccccc1Cl ZINC000530733123 343204973 /nfs/dbraw/zinc/20/49/73/343204973.db2.gz CLLMDETWIUYUFK-WDEREUQCSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1CCC[C@H]1C ZINC000530733603 343207292 /nfs/dbraw/zinc/20/72/92/343207292.db2.gz ZSCMIDQJQKGWBQ-GHMZBOCLSA-N 0 3 223.747 3.885 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1C ZINC000530733605 343207220 /nfs/dbraw/zinc/20/72/20/343207220.db2.gz ZSCMIDQJQKGWBQ-MNOVXSKESA-N 0 3 223.747 3.885 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C ZINC000530733607 343207283 /nfs/dbraw/zinc/20/72/83/343207283.db2.gz ZSCMIDQJQKGWBQ-QWRGUYRKSA-N 0 3 223.747 3.885 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H]1C ZINC000530733608 343207265 /nfs/dbraw/zinc/20/72/65/343207265.db2.gz ZSCMIDQJQKGWBQ-WDEREUQCSA-N 0 3 223.747 3.885 20 0 BHADHN C[C@@H](N(C)Cc1ccccc1Cl)C1(C)CC1 ZINC000530754618 385042896 /nfs/dbraw/zinc/04/28/96/385042896.db2.gz ATOZCEQDQLOPFM-LLVKDONJSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@H](N(C)Cc1ccccc1Cl)C1(C)CC1 ZINC000530754620 385042633 /nfs/dbraw/zinc/04/26/33/385042633.db2.gz ATOZCEQDQLOPFM-NSHDSACASA-N 0 3 237.774 3.960 20 0 BHADHN C(C1CCCC1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000530754673 385044091 /nfs/dbraw/zinc/04/40/91/385044091.db2.gz WNZMTHGLDBKNJD-KBPBESRZSA-N 0 3 239.428 3.537 20 0 BHADHN C(C1CCCC1)N1CCS[C@H]2CCCC[C@H]21 ZINC000530754674 385042839 /nfs/dbraw/zinc/04/28/39/385042839.db2.gz WNZMTHGLDBKNJD-KGLIPLIRSA-N 0 3 239.428 3.537 20 0 BHADHN C(C1CCCC1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000530754675 385044698 /nfs/dbraw/zinc/04/46/98/385044698.db2.gz WNZMTHGLDBKNJD-UONOGXRCSA-N 0 3 239.428 3.537 20 0 BHADHN C(C1CCCC1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000530754676 385044738 /nfs/dbraw/zinc/04/47/38/385044738.db2.gz WNZMTHGLDBKNJD-ZIAGYGMSSA-N 0 3 239.428 3.537 20 0 BHADHN CCCCN(CC)Cc1cc(F)ccc1F ZINC000530756196 385042965 /nfs/dbraw/zinc/04/29/65/385042965.db2.gz KMNHAFKXUHCDSX-UHFFFAOYSA-N 0 3 227.298 3.587 20 0 BHADHN C[C@@H]1CN(Cc2cc(F)ccc2F)C(C)(C)C1 ZINC000530756734 385047697 /nfs/dbraw/zinc/04/76/97/385047697.db2.gz USERABIHACQUEX-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CN(Cc2cc(F)ccc2F)C(C)(C)C1 ZINC000530756735 385046856 /nfs/dbraw/zinc/04/68/56/385046856.db2.gz USERABIHACQUEX-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CN(Cc2ccc(F)cc2F)C(C)(C)C1 ZINC000530772441 385047435 /nfs/dbraw/zinc/04/74/35/385047435.db2.gz OOFGUCUAGXFRHN-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CN(Cc2ccc(F)cc2F)C(C)(C)C1 ZINC000530772442 385047022 /nfs/dbraw/zinc/04/70/22/385047022.db2.gz OOFGUCUAGXFRHN-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN Fc1ccc(C2(NCc3ccccc3)CC2)cc1 ZINC000530858629 322896631 /nfs/dbraw/zinc/89/66/31/322896631.db2.gz UNYUKLNXODXXQM-UHFFFAOYSA-N 0 3 241.309 3.605 20 0 BHADHN CCN(CCc1c(F)cccc1Cl)C1CC1 ZINC000530865752 385115201 /nfs/dbraw/zinc/11/52/01/385115201.db2.gz CVALHMJLXONHSI-UHFFFAOYSA-N 0 3 241.737 3.506 20 0 BHADHN C[C@@H]1CN(Cc2ccc(F)c(F)c2)C(C)(C)C1 ZINC000530866123 385115397 /nfs/dbraw/zinc/11/53/97/385115397.db2.gz LOUHKIQRRWGUQC-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CN(Cc2ccc(F)c(F)c2)C(C)(C)C1 ZINC000530866124 385113932 /nfs/dbraw/zinc/11/39/32/385113932.db2.gz LOUHKIQRRWGUQC-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN Cc1cc2cc(CNC3CCC3)oc2cc1C ZINC000530915420 322898496 /nfs/dbraw/zinc/89/84/96/322898496.db2.gz ZDDQXHJXTHQJPV-UHFFFAOYSA-N 0 3 229.323 3.692 20 0 BHADHN CC[N@@H+](CC1CCCC1)[C@H](C)c1cccc([O-])c1 ZINC000530926912 385173788 /nfs/dbraw/zinc/17/37/88/385173788.db2.gz XVOCRBVSJVYTGW-CYBMUJFWSA-N 0 3 247.382 3.965 20 0 BHADHN CC[N@H+](CC1CCCC1)[C@H](C)c1cccc([O-])c1 ZINC000530926912 385173783 /nfs/dbraw/zinc/17/37/83/385173783.db2.gz XVOCRBVSJVYTGW-CYBMUJFWSA-N 0 3 247.382 3.965 20 0 BHADHN CC[N@@H+](CC1CCCC1)[C@@H](C)c1cccc([O-])c1 ZINC000530926913 385173698 /nfs/dbraw/zinc/17/36/98/385173698.db2.gz XVOCRBVSJVYTGW-ZDUSSCGKSA-N 0 3 247.382 3.965 20 0 BHADHN CC[N@H+](CC1CCCC1)[C@@H](C)c1cccc([O-])c1 ZINC000530926913 385173693 /nfs/dbraw/zinc/17/36/93/385173693.db2.gz XVOCRBVSJVYTGW-ZDUSSCGKSA-N 0 3 247.382 3.965 20 0 BHADHN Fc1ccc(C2(NCc3cccs3)CC2)cc1 ZINC000530968129 322914919 /nfs/dbraw/zinc/91/49/19/322914919.db2.gz MVXQJXSCRPZBEN-UHFFFAOYSA-N 0 3 247.338 3.666 20 0 BHADHN C[C@@H]1CCN(Cc2cccc(Cl)c2)[C@@H]1C ZINC000530976016 384869699 /nfs/dbraw/zinc/86/96/99/384869699.db2.gz KWEWMXZAYKDZJF-GHMZBOCLSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1CCN(Cc2cccc(Cl)c2)[C@H]1C ZINC000530976017 384868607 /nfs/dbraw/zinc/86/86/07/384868607.db2.gz KWEWMXZAYKDZJF-MNOVXSKESA-N 0 3 223.747 3.570 20 0 BHADHN C[C@H]1CCN(Cc2cccc(Cl)c2)[C@H]1C ZINC000530976018 384870707 /nfs/dbraw/zinc/87/07/07/384870707.db2.gz KWEWMXZAYKDZJF-QWRGUYRKSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1cccc(Cl)c1 ZINC000530976019 384870567 /nfs/dbraw/zinc/87/05/67/384870567.db2.gz KWEWMXZAYKDZJF-WDEREUQCSA-N 0 3 223.747 3.570 20 0 BHADHN CN(C)CCSCc1cccc2ccccc21 ZINC000531032938 384678777 /nfs/dbraw/zinc/67/87/77/384678777.db2.gz YLIWBPHTGGHCQH-UHFFFAOYSA-N 0 3 245.391 3.635 20 0 BHADHN CC(C)=CCN1CCc2ccccc2[C@H]1C ZINC000531140045 323048024 /nfs/dbraw/zinc/04/80/24/323048024.db2.gz ZHKMIKDOEOGSHG-CYBMUJFWSA-N 0 3 215.340 3.572 20 0 BHADHN CC(C)=CCN1CCc2ccccc2[C@@H]1C ZINC000531140046 323048051 /nfs/dbraw/zinc/04/80/51/323048051.db2.gz ZHKMIKDOEOGSHG-ZDUSSCGKSA-N 0 3 215.340 3.572 20 0 BHADHN CC[C@H]1C[C@H](C)CN1Cc1cc(F)ccc1F ZINC000531233134 323086173 /nfs/dbraw/zinc/08/61/73/323086173.db2.gz FBBCHOAVJJJTSJ-GWCFXTLKSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1C[C@H](C)CN1Cc1cc(F)ccc1F ZINC000531233143 323086192 /nfs/dbraw/zinc/08/61/92/323086192.db2.gz FBBCHOAVJJJTSJ-GXFFZTMASA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1C[C@@H](C)CN1Cc1cc(F)ccc1F ZINC000531233146 323086223 /nfs/dbraw/zinc/08/62/23/323086223.db2.gz FBBCHOAVJJJTSJ-MFKMUULPSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1C[C@@H](C)CN1Cc1cc(F)ccc1F ZINC000531233149 323086163 /nfs/dbraw/zinc/08/61/63/323086163.db2.gz FBBCHOAVJJJTSJ-ZWNOBZJWSA-N 0 3 239.309 3.585 20 0 BHADHN CCCN(CCC)Cc1cc(F)ccc1F ZINC000531233461 323086151 /nfs/dbraw/zinc/08/61/51/323086151.db2.gz XCBQKRXXSMIOKK-UHFFFAOYSA-N 0 3 227.298 3.587 20 0 BHADHN CC[C@H]1C[C@H](C)CN1Cc1ccc(F)cc1F ZINC000531249385 347871461 /nfs/dbraw/zinc/87/14/61/347871461.db2.gz TZSDNTKHSAYQIF-GWCFXTLKSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(F)cc1F ZINC000531249388 347871603 /nfs/dbraw/zinc/87/16/03/347871603.db2.gz TZSDNTKHSAYQIF-GXFFZTMASA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(F)cc1F ZINC000531249389 347871370 /nfs/dbraw/zinc/87/13/70/347871370.db2.gz TZSDNTKHSAYQIF-MFKMUULPSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(F)cc1F ZINC000531249395 323086515 /nfs/dbraw/zinc/08/65/15/323086515.db2.gz TZSDNTKHSAYQIF-ZWNOBZJWSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1CN(Cc2cccc(F)c2F)C(C)(C)C1 ZINC000531342216 323087666 /nfs/dbraw/zinc/08/76/66/323087666.db2.gz RCKZEFLWGWVBKW-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CN(Cc2cccc(F)c2F)C(C)(C)C1 ZINC000531342217 323087633 /nfs/dbraw/zinc/08/76/33/323087633.db2.gz RCKZEFLWGWVBKW-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN CC1(C)CN(C/C=C/c2ccccc2)CCS1 ZINC000531441180 323089908 /nfs/dbraw/zinc/08/99/08/323089908.db2.gz RIBDXPDAHLEKFV-RMKNXTFCSA-N 0 3 247.407 3.527 20 0 BHADHN CC1(C)CN(C/C=C\c2ccccc2)CCS1 ZINC000531441187 323089881 /nfs/dbraw/zinc/08/98/81/323089881.db2.gz RIBDXPDAHLEKFV-TWGQIWQCSA-N 0 3 247.407 3.527 20 0 BHADHN CCN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000531441498 323089997 /nfs/dbraw/zinc/08/99/97/323089997.db2.gz VTNVVZYZZZVHPF-UHFFFAOYSA-N 0 3 239.309 3.729 20 0 BHADHN C[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@@H]1C ZINC000531452989 323091404 /nfs/dbraw/zinc/09/14/04/323091404.db2.gz JRMZNXFGYHTOSS-GHMZBOCLSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1CCN(Cc2ccc(Cl)cc2)[C@H]1C ZINC000531452990 323091423 /nfs/dbraw/zinc/09/14/23/323091423.db2.gz JRMZNXFGYHTOSS-MNOVXSKESA-N 0 3 223.747 3.570 20 0 BHADHN C[C@H]1CCN(Cc2ccc(Cl)cc2)[C@H]1C ZINC000531452991 323091375 /nfs/dbraw/zinc/09/13/75/323091375.db2.gz JRMZNXFGYHTOSS-QWRGUYRKSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1ccc(Cl)cc1 ZINC000531452992 323091389 /nfs/dbraw/zinc/09/13/89/323091389.db2.gz JRMZNXFGYHTOSS-WDEREUQCSA-N 0 3 223.747 3.570 20 0 BHADHN CC[C@@H](c1ccc(F)cc1F)N1CC[C@H](C)C1 ZINC000531470280 323097809 /nfs/dbraw/zinc/09/78/09/323097809.db2.gz ZKIKPRZJERAMDO-HZMBPMFUSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@H](c1ccc(F)cc1F)N1CC[C@H](C)C1 ZINC000531470281 323097830 /nfs/dbraw/zinc/09/78/30/323097830.db2.gz ZKIKPRZJERAMDO-IINYFYTJSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](C)C1 ZINC000531470282 323097834 /nfs/dbraw/zinc/09/78/34/323097834.db2.gz ZKIKPRZJERAMDO-QMTHXVAHSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@@H](c1ccc(F)cc1F)N1CC[C@@H](C)C1 ZINC000531470283 323097821 /nfs/dbraw/zinc/09/78/21/323097821.db2.gz ZKIKPRZJERAMDO-YGRLFVJLSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000531528279 323109450 /nfs/dbraw/zinc/10/94/50/323109450.db2.gz HOSFXLNKSYYHBI-LLVKDONJSA-N 0 3 223.747 3.572 20 0 BHADHN CC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000531528287 323109538 /nfs/dbraw/zinc/10/95/38/323109538.db2.gz HOSFXLNKSYYHBI-NSHDSACASA-N 0 3 223.747 3.572 20 0 BHADHN CN(CCC(C)(C)C)Cc1cc(Cl)cn1C ZINC000531562003 323109984 /nfs/dbraw/zinc/10/99/84/323109984.db2.gz OZBOSQDUXVBLDY-UHFFFAOYSA-N 0 3 242.794 3.547 20 0 BHADHN CC[C@@]1(C)CCN(Cc2ccc(F)c(F)c2)C1 ZINC000531579787 323109695 /nfs/dbraw/zinc/10/96/95/323109695.db2.gz RYSASVMBWNBRFR-AWEZNQCLSA-N 0 3 239.309 3.587 20 0 BHADHN CC[C@]1(C)CCN(Cc2ccc(F)c(F)c2)C1 ZINC000531579789 323109722 /nfs/dbraw/zinc/10/97/22/323109722.db2.gz RYSASVMBWNBRFR-CQSZACIVSA-N 0 3 239.309 3.587 20 0 BHADHN COc1cccc(C=C2CCN(C(C)C)CC2)c1 ZINC000531614481 323110399 /nfs/dbraw/zinc/11/03/99/323110399.db2.gz INGQDGAYKIRJLR-UHFFFAOYSA-N 0 3 245.366 3.583 20 0 BHADHN Cc1ccc(CNCC[C@@H]2CCCC[C@H]2C)nc1 ZINC000531629827 323110706 /nfs/dbraw/zinc/11/07/06/323110706.db2.gz KSHHKVAOYJCPII-CABCVRRESA-N 0 3 246.398 3.696 20 0 BHADHN Cc1ccc(CNCC[C@@H]2CCCC[C@@H]2C)nc1 ZINC000531629828 323110684 /nfs/dbraw/zinc/11/06/84/323110684.db2.gz KSHHKVAOYJCPII-GJZGRUSLSA-N 0 3 246.398 3.696 20 0 BHADHN Cc1ccc(CNCC[C@H]2CCCC[C@H]2C)nc1 ZINC000531629829 323110691 /nfs/dbraw/zinc/11/06/91/323110691.db2.gz KSHHKVAOYJCPII-HUUCEWRRSA-N 0 3 246.398 3.696 20 0 BHADHN Cc1ccc(CNCC[C@H]2CCCC[C@@H]2C)nc1 ZINC000531629830 323110645 /nfs/dbraw/zinc/11/06/45/323110645.db2.gz KSHHKVAOYJCPII-LSDHHAIUSA-N 0 3 246.398 3.696 20 0 BHADHN Cc1ccoc1CNCCc1c(C)cccc1C ZINC000531698769 323111819 /nfs/dbraw/zinc/11/18/19/323111819.db2.gz TUAUIXTWAKAREC-UHFFFAOYSA-N 0 3 243.350 3.537 20 0 BHADHN Cc1ccc(CCN[C@@H](C)c2ccoc2)c(C)c1 ZINC000531700275 323111799 /nfs/dbraw/zinc/11/17/99/323111799.db2.gz CTMWMPYYBUIELO-AWEZNQCLSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1ccc(CCN[C@H](C)c2ccoc2)c(C)c1 ZINC000531700276 323111806 /nfs/dbraw/zinc/11/18/06/323111806.db2.gz CTMWMPYYBUIELO-CQSZACIVSA-N 0 3 243.350 3.790 20 0 BHADHN CCC[C@@H](C)[C@@H](CC)NCc1cc(CC)no1 ZINC000531721100 323112223 /nfs/dbraw/zinc/11/22/23/323112223.db2.gz DDDYUBYSQPGLPA-BXUZGUMPSA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@H](C)[C@H](CC)NCc1cc(CC)no1 ZINC000531721105 323112307 /nfs/dbraw/zinc/11/23/07/323112307.db2.gz DDDYUBYSQPGLPA-FZMZJTMJSA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@@H](C)[C@H](CC)NCc1cc(CC)no1 ZINC000531721106 323112257 /nfs/dbraw/zinc/11/22/57/323112257.db2.gz DDDYUBYSQPGLPA-RISCZKNCSA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@H](C)[C@@H](CC)NCc1cc(CC)no1 ZINC000531721107 323112197 /nfs/dbraw/zinc/11/21/97/323112197.db2.gz DDDYUBYSQPGLPA-SMDDNHRTSA-N 0 3 238.375 3.541 20 0 BHADHN c1c2ccccc2oc1CN1C2CCC1CC2 ZINC000531756766 323112631 /nfs/dbraw/zinc/11/26/31/323112631.db2.gz CVAIZMPYNNXJHX-UHFFFAOYSA-N 0 3 227.307 3.560 20 0 BHADHN CCCCC[C@@H]1CCCN1Cc1cc(C)no1 ZINC000531757239 323112885 /nfs/dbraw/zinc/11/28/85/323112885.db2.gz DHJRXUNCKLQRQP-CYBMUJFWSA-N 0 3 236.359 3.528 20 0 BHADHN CCCCC[C@H]1CCCN1Cc1cc(C)no1 ZINC000531757240 323112912 /nfs/dbraw/zinc/11/29/12/323112912.db2.gz DHJRXUNCKLQRQP-ZDUSSCGKSA-N 0 3 236.359 3.528 20 0 BHADHN CCC(CC)N(Cc1nc(C)cs1)C1CC1 ZINC000531779671 323113151 /nfs/dbraw/zinc/11/31/51/323113151.db2.gz UBEMKABSOHIJLX-UHFFFAOYSA-N 0 3 238.400 3.605 20 0 BHADHN Clc1cccc(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000531801013 323113943 /nfs/dbraw/zinc/11/39/43/323113943.db2.gz FIYRRTSRQVIKLO-BETUJISGSA-N 0 3 235.758 3.572 20 0 BHADHN Clc1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000531801021 323113938 /nfs/dbraw/zinc/11/39/38/323113938.db2.gz FIYRRTSRQVIKLO-CHWSQXEVSA-N 0 3 235.758 3.572 20 0 BHADHN Clc1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000531801023 323114028 /nfs/dbraw/zinc/11/40/28/323114028.db2.gz FIYRRTSRQVIKLO-STQMWFEESA-N 0 3 235.758 3.572 20 0 BHADHN CC(C)CN1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000531833433 323114909 /nfs/dbraw/zinc/11/49/09/323114909.db2.gz KQHWDOQJWPSGFM-JTQLQIEISA-N 0 3 239.309 3.540 20 0 BHADHN CC(C)CN1CCc2c(F)cc(F)cc2[C@H]1C ZINC000531833434 323114896 /nfs/dbraw/zinc/11/48/96/323114896.db2.gz KQHWDOQJWPSGFM-SNVBAGLBSA-N 0 3 239.309 3.540 20 0 BHADHN Fc1ccc2oc(CNC3(C4CC4)CC3)cc2c1 ZINC000531863425 323118209 /nfs/dbraw/zinc/11/82/09/323118209.db2.gz WAYWFMZEFZSTFE-UHFFFAOYSA-N 0 3 245.297 3.604 20 0 BHADHN CCc1ccc([C@@H](C)NCCc2ccccc2)o1 ZINC000531932691 323155070 /nfs/dbraw/zinc/15/50/70/323155070.db2.gz YKIQXERXGIJFQP-CYBMUJFWSA-N 0 3 243.350 3.735 20 0 BHADHN CCc1ccc([C@H](C)NCCc2ccccc2)o1 ZINC000531932692 323155033 /nfs/dbraw/zinc/15/50/33/323155033.db2.gz YKIQXERXGIJFQP-ZDUSSCGKSA-N 0 3 243.350 3.735 20 0 BHADHN CCc1ccc([C@@H](C)NCCc2ccc(C)o2)o1 ZINC000531940471 323155945 /nfs/dbraw/zinc/15/59/45/323155945.db2.gz XIRCEHJKGXCACJ-GFCCVEGCSA-N 0 3 247.338 3.637 20 0 BHADHN CCc1ccc([C@H](C)NCCc2ccc(C)o2)o1 ZINC000531940472 323156025 /nfs/dbraw/zinc/15/60/25/323156025.db2.gz XIRCEHJKGXCACJ-LBPRGKRZSA-N 0 3 247.338 3.637 20 0 BHADHN CN(CCCC1CCCC1)Cc1cccc(O)c1 ZINC000531969282 323159951 /nfs/dbraw/zinc/15/99/51/323159951.db2.gz RBHRCSZAIPBTQX-UHFFFAOYSA-N 0 3 247.382 3.794 20 0 BHADHN CC[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000532038581 323168911 /nfs/dbraw/zinc/16/89/11/323168911.db2.gz ZIMTZKXYMVQRQN-LLVKDONJSA-N 0 3 223.747 3.572 20 0 BHADHN CC[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000532038582 323168935 /nfs/dbraw/zinc/16/89/35/323168935.db2.gz ZIMTZKXYMVQRQN-NSHDSACASA-N 0 3 223.747 3.572 20 0 BHADHN CC(C)C[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000532091657 323196542 /nfs/dbraw/zinc/19/65/42/323196542.db2.gz ZCYQDUYTNMOTHY-LLVKDONJSA-N 0 3 237.309 3.697 20 0 BHADHN CC(C)C[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000532091658 323196562 /nfs/dbraw/zinc/19/65/62/323196562.db2.gz ZCYQDUYTNMOTHY-NSHDSACASA-N 0 3 237.309 3.697 20 0 BHADHN Fc1ccccc1C=C1CCN(CC2CC2)CC1 ZINC000532168194 323208116 /nfs/dbraw/zinc/20/81/16/323208116.db2.gz VLKTZANOSLQUDC-UHFFFAOYSA-N 0 3 245.341 3.715 20 0 BHADHN CCc1ccc(CCN[C@H](C)c2ccoc2)cc1 ZINC000532225442 323210108 /nfs/dbraw/zinc/21/01/08/323210108.db2.gz ZKPPPYNRPUETEF-CYBMUJFWSA-N 0 3 243.350 3.735 20 0 BHADHN CCc1ccc(CCN[C@@H](C)c2ccoc2)cc1 ZINC000532225443 323210225 /nfs/dbraw/zinc/21/02/25/323210225.db2.gz ZKPPPYNRPUETEF-ZDUSSCGKSA-N 0 3 243.350 3.735 20 0 BHADHN CC1(C)CCN(Cc2cc3ccccc3o2)C1 ZINC000532268086 323212858 /nfs/dbraw/zinc/21/28/58/323212858.db2.gz WTLONBXOSHXKEC-UHFFFAOYSA-N 0 3 229.323 3.665 20 0 BHADHN CC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000532293372 323213967 /nfs/dbraw/zinc/21/39/67/323213967.db2.gz XDWRBZUOFNGPHT-LLVKDONJSA-N 0 3 223.747 3.572 20 0 BHADHN CC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000532293382 323214121 /nfs/dbraw/zinc/21/41/21/323214121.db2.gz XDWRBZUOFNGPHT-NSHDSACASA-N 0 3 223.747 3.572 20 0 BHADHN Clc1ccccc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000532312165 323215370 /nfs/dbraw/zinc/21/53/70/323215370.db2.gz KPGIPTULQBZFIR-RYUDHWBXSA-N 0 3 235.758 3.572 20 0 BHADHN Clc1ccccc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000532312166 323215387 /nfs/dbraw/zinc/21/53/87/323215387.db2.gz KPGIPTULQBZFIR-TXEJJXNPSA-N 0 3 235.758 3.572 20 0 BHADHN Clc1ccccc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000532312167 323215548 /nfs/dbraw/zinc/21/55/48/323215548.db2.gz KPGIPTULQBZFIR-VXGBXAGGSA-N 0 3 235.758 3.572 20 0 BHADHN Clc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000532312192 323215501 /nfs/dbraw/zinc/21/55/01/323215501.db2.gz SBSOEEIYMUFNIU-BETUJISGSA-N 0 3 235.758 3.572 20 0 BHADHN Clc1ccc(CN2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000532312193 323215608 /nfs/dbraw/zinc/21/56/08/323215608.db2.gz SBSOEEIYMUFNIU-CHWSQXEVSA-N 0 3 235.758 3.572 20 0 BHADHN Clc1ccc(CN2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000532312194 323215423 /nfs/dbraw/zinc/21/54/23/323215423.db2.gz SBSOEEIYMUFNIU-STQMWFEESA-N 0 3 235.758 3.572 20 0 BHADHN CC(C)N1CCC(=Cc2ccccc2F)CC1 ZINC000532313067 323218314 /nfs/dbraw/zinc/21/83/14/323218314.db2.gz AVZABPISFKHYJV-UHFFFAOYSA-N 0 3 233.330 3.713 20 0 BHADHN Cc1ccc(CCN[C@H](C)c2ccccc2F)o1 ZINC000532449790 323264107 /nfs/dbraw/zinc/26/41/07/323264107.db2.gz HOYXXJWEOKWLPQ-GFCCVEGCSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1ccc(CCN[C@@H](C)c2ccccc2F)o1 ZINC000532449795 323264526 /nfs/dbraw/zinc/26/45/26/323264526.db2.gz HOYXXJWEOKWLPQ-LBPRGKRZSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1ccc(CNCCc2c(C)cccc2C)o1 ZINC000532470267 323267726 /nfs/dbraw/zinc/26/77/26/323267726.db2.gz CHUSPQVWUAGWIZ-UHFFFAOYSA-N 0 3 243.350 3.537 20 0 BHADHN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C1(C)CC1 ZINC000532475729 323270151 /nfs/dbraw/zinc/27/01/51/323270151.db2.gz SXSDFHLVKZOYLB-MDZLAQPJSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C1(C)CC1 ZINC000532475730 323269976 /nfs/dbraw/zinc/26/99/76/323269976.db2.gz SXSDFHLVKZOYLB-NQBHXWOUSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C1(C)CC1 ZINC000532475731 323270218 /nfs/dbraw/zinc/27/02/18/323270218.db2.gz SXSDFHLVKZOYLB-NTZNESFSSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)C1(C)CC1 ZINC000532475732 323270028 /nfs/dbraw/zinc/27/00/28/323270028.db2.gz SXSDFHLVKZOYLB-WZRBSPASSA-N 0 3 233.355 3.681 20 0 BHADHN c1cc(CN[C@@H](CC2CC2)c2ccccc2)co1 ZINC000532476822 323269908 /nfs/dbraw/zinc/26/99/08/323269908.db2.gz PTNVFHOZOYKZNN-INIZCTEOSA-N 0 3 241.334 3.911 20 0 BHADHN c1cc(CN[C@H](CC2CC2)c2ccccc2)co1 ZINC000532476823 323269920 /nfs/dbraw/zinc/26/99/20/323269920.db2.gz PTNVFHOZOYKZNN-MRXNPFEDSA-N 0 3 241.334 3.911 20 0 BHADHN CCCCOCCN[C@@H](C)c1cccc(C)c1C ZINC000532492397 323269440 /nfs/dbraw/zinc/26/94/40/323269440.db2.gz RKRQHZKZYLRBIJ-HNNXBMFYSA-N 0 3 249.398 3.771 20 0 BHADHN CCCCOCCN[C@H](C)c1cccc(C)c1C ZINC000532492408 323269255 /nfs/dbraw/zinc/26/92/55/323269255.db2.gz RKRQHZKZYLRBIJ-OAHLLOKOSA-N 0 3 249.398 3.771 20 0 BHADHN CCc1ccc(CN(C)Cc2ccccc2)s1 ZINC000532496847 323269873 /nfs/dbraw/zinc/26/98/73/323269873.db2.gz IPEITZVJINFANQ-UHFFFAOYSA-N 0 3 245.391 3.943 20 0 BHADHN CCc1ccc(CCN[C@H](C)c2ccco2)cc1 ZINC000532503693 487603216 /nfs/dbraw/zinc/60/32/16/487603216.db2.gz BMDAAXFWFBSBRF-CYBMUJFWSA-N 0 3 243.350 3.735 20 0 BHADHN CCc1ccc(CCN[C@@H](C)c2ccco2)cc1 ZINC000532503695 487603618 /nfs/dbraw/zinc/60/36/18/487603618.db2.gz BMDAAXFWFBSBRF-ZDUSSCGKSA-N 0 3 243.350 3.735 20 0 BHADHN CCCN(C)[C@H](CC)c1ccc(F)cc1F ZINC000532512598 323272458 /nfs/dbraw/zinc/27/24/58/323272458.db2.gz SNBMIRJLWBIGSZ-CYBMUJFWSA-N 0 3 227.298 3.758 20 0 BHADHN CCCN(C)[C@@H](CC)c1ccc(F)cc1F ZINC000532512601 323272489 /nfs/dbraw/zinc/27/24/89/323272489.db2.gz SNBMIRJLWBIGSZ-ZDUSSCGKSA-N 0 3 227.298 3.758 20 0 BHADHN Cc1cc(C)cc(CCN[C@@H](C)c2ccoc2)c1 ZINC000532520449 323273110 /nfs/dbraw/zinc/27/31/10/323273110.db2.gz HZNRZXREBFHYRQ-AWEZNQCLSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1cc(C)cc(CCN[C@H](C)c2ccoc2)c1 ZINC000532520451 323273383 /nfs/dbraw/zinc/27/33/83/323273383.db2.gz HZNRZXREBFHYRQ-CQSZACIVSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1ccc(CC[C@H](C)N[C@@H](C)c2ccoc2)o1 ZINC000532527912 323273212 /nfs/dbraw/zinc/27/32/12/323273212.db2.gz ZIFNAMVXRYLYFX-AAEUAGOBSA-N 0 3 247.338 3.853 20 0 BHADHN Cc1ccc(CC[C@@H](C)N[C@H](C)c2ccoc2)o1 ZINC000532527913 323273320 /nfs/dbraw/zinc/27/33/20/323273320.db2.gz ZIFNAMVXRYLYFX-DGCLKSJQSA-N 0 3 247.338 3.853 20 0 BHADHN Cc1ccc(CC[C@H](C)N[C@H](C)c2ccoc2)o1 ZINC000532527914 323273006 /nfs/dbraw/zinc/27/30/06/323273006.db2.gz ZIFNAMVXRYLYFX-WCQYABFASA-N 0 3 247.338 3.853 20 0 BHADHN Cc1ccc(CC[C@@H](C)N[C@@H](C)c2ccoc2)o1 ZINC000532527915 323273204 /nfs/dbraw/zinc/27/32/04/323273204.db2.gz ZIFNAMVXRYLYFX-YPMHNXCESA-N 0 3 247.338 3.853 20 0 BHADHN C[C@@H](c1ccc(F)cc1F)N(C)CC1CCC1 ZINC000532583923 323278154 /nfs/dbraw/zinc/27/81/54/323278154.db2.gz YUDNHGZMKSAKFU-JTQLQIEISA-N 0 3 239.309 3.758 20 0 BHADHN C[C@H](c1ccc(F)cc1F)N(C)CC1CCC1 ZINC000532584010 323278259 /nfs/dbraw/zinc/27/82/59/323278259.db2.gz YUDNHGZMKSAKFU-SNVBAGLBSA-N 0 3 239.309 3.758 20 0 BHADHN Fc1ccccc1C1(NC[C@@H]2CC=CCC2)CC1 ZINC000532786038 323297137 /nfs/dbraw/zinc/29/71/37/323297137.db2.gz BSVAGIJHAAYWLO-CYBMUJFWSA-N 0 3 245.341 3.761 20 0 BHADHN Fc1ccccc1C1(NC[C@H]2CC=CCC2)CC1 ZINC000532786039 323297234 /nfs/dbraw/zinc/29/72/34/323297234.db2.gz BSVAGIJHAAYWLO-ZDUSSCGKSA-N 0 3 245.341 3.761 20 0 BHADHN CCCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000532793139 323297963 /nfs/dbraw/zinc/29/79/63/323297963.db2.gz ZWPNGFAUXNGQQL-UHFFFAOYSA-N 0 3 233.330 3.715 20 0 BHADHN C[C@H](c1cc(F)ccc1F)N1CCCCCC1 ZINC000532903275 357502226 /nfs/dbraw/zinc/50/22/26/357502226.db2.gz PHULQAXAALLLAR-LLVKDONJSA-N 0 3 239.309 3.902 20 0 BHADHN C[C@@H](c1cc(F)ccc1F)N1CCCCCC1 ZINC000532903282 357501863 /nfs/dbraw/zinc/50/18/63/357501863.db2.gz PHULQAXAALLLAR-NSHDSACASA-N 0 3 239.309 3.902 20 0 BHADHN CC[C@H](c1ccc(F)cc1F)N(CC)CC ZINC000532912092 323388164 /nfs/dbraw/zinc/38/81/64/323388164.db2.gz ZOISZJUQDHZEDG-CYBMUJFWSA-N 0 3 227.298 3.758 20 0 BHADHN CC[C@@H](c1ccc(F)cc1F)N(CC)CC ZINC000532912093 323388349 /nfs/dbraw/zinc/38/83/49/323388349.db2.gz ZOISZJUQDHZEDG-ZDUSSCGKSA-N 0 3 227.298 3.758 20 0 BHADHN CCC1CCC(N(Cc2ccno2)C2CC2)CC1 ZINC000532919580 357838062 /nfs/dbraw/zinc/83/80/62/357838062.db2.gz SFZWJMJWSYQUMV-UHFFFAOYSA-N 0 3 248.370 3.608 20 0 BHADHN CC[C@@H](c1ccc(F)cc1F)N(C)CC1CC1 ZINC000532919671 357838686 /nfs/dbraw/zinc/83/86/86/357838686.db2.gz AHUQLAWQTKTNPE-AWEZNQCLSA-N 0 3 239.309 3.758 20 0 BHADHN CC[C@H](c1ccc(F)cc1F)N(C)CC1CC1 ZINC000532919672 357838309 /nfs/dbraw/zinc/83/83/09/357838309.db2.gz AHUQLAWQTKTNPE-CQSZACIVSA-N 0 3 239.309 3.758 20 0 BHADHN Cc1cc(C)c([C@H](C)N2CCSCC2)c(C)c1 ZINC000532921876 323390825 /nfs/dbraw/zinc/39/08/25/323390825.db2.gz SVRHXSJVLMNISY-AWEZNQCLSA-N 0 3 249.423 3.722 20 0 BHADHN Cc1cc(C)c([C@@H](C)N2CCSCC2)c(C)c1 ZINC000532921879 323390975 /nfs/dbraw/zinc/39/09/75/323390975.db2.gz SVRHXSJVLMNISY-CQSZACIVSA-N 0 3 249.423 3.722 20 0 BHADHN CCCCCN(CCCCC)Cc1ccno1 ZINC000532922671 323390965 /nfs/dbraw/zinc/39/09/65/323390965.db2.gz NDPZHTMHGDERNJ-UHFFFAOYSA-N 0 3 238.375 3.857 20 0 BHADHN Cc1ccc(CCN(C)[C@@H](C)c2ccco2)cc1 ZINC000532925560 323397127 /nfs/dbraw/zinc/39/71/27/323397127.db2.gz XMMLWAJFCGQTDG-AWEZNQCLSA-N 0 3 243.350 3.824 20 0 BHADHN Cc1ccc(CCN(C)[C@H](C)c2ccco2)cc1 ZINC000532925561 323397502 /nfs/dbraw/zinc/39/75/02/323397502.db2.gz XMMLWAJFCGQTDG-CQSZACIVSA-N 0 3 243.350 3.824 20 0 BHADHN Cc1nc(CN(C)[C@H](C)C(C)(C)C)sc1C ZINC000532929226 323398473 /nfs/dbraw/zinc/39/84/73/323398473.db2.gz HQMWTJLYFJFEJZ-LLVKDONJSA-N 0 3 240.416 3.626 20 0 BHADHN Cc1nc(CN(C)[C@@H](C)C(C)(C)C)sc1C ZINC000532929227 323397880 /nfs/dbraw/zinc/39/78/80/323397880.db2.gz HQMWTJLYFJFEJZ-NSHDSACASA-N 0 3 240.416 3.626 20 0 BHADHN CCCCCN(Cc1ccno1)[C@H](C)CCC ZINC000532948505 387914125 /nfs/dbraw/zinc/91/41/25/387914125.db2.gz GZACCLIOJJRDDM-CYBMUJFWSA-N 0 3 238.375 3.855 20 0 BHADHN CCCCCN(Cc1ccno1)[C@@H](C)CCC ZINC000532948506 387914063 /nfs/dbraw/zinc/91/40/63/387914063.db2.gz GZACCLIOJJRDDM-ZDUSSCGKSA-N 0 3 238.375 3.855 20 0 BHADHN CC(C)[C@@H](c1ccccc1)N(C)Cc1ccno1 ZINC000532975458 387915906 /nfs/dbraw/zinc/91/59/06/387915906.db2.gz OJPSEIGXDBVAMW-HNNXBMFYSA-N 0 3 244.338 3.504 20 0 BHADHN CC(C)[C@H](c1ccccc1)N(C)Cc1ccno1 ZINC000532975460 387915051 /nfs/dbraw/zinc/91/50/51/387915051.db2.gz OJPSEIGXDBVAMW-OAHLLOKOSA-N 0 3 244.338 3.504 20 0 BHADHN CCN(Cc1nc2ccccc2s1)C1CCC1 ZINC000532977125 387914979 /nfs/dbraw/zinc/91/49/79/387914979.db2.gz TZXWKBMLYLODJW-UHFFFAOYSA-N 0 3 246.379 3.671 20 0 BHADHN c1cc(CN2CCC[C@H]2CCC2CCCC2)on1 ZINC000533025045 387919612 /nfs/dbraw/zinc/91/96/12/387919612.db2.gz ZHGOONOFNPNECI-AWEZNQCLSA-N 0 3 248.370 3.609 20 0 BHADHN c1cc(CN2CCC[C@@H]2CCC2CCCC2)on1 ZINC000533025046 387919850 /nfs/dbraw/zinc/91/98/50/387919850.db2.gz ZHGOONOFNPNECI-CQSZACIVSA-N 0 3 248.370 3.609 20 0 BHADHN Cc1cccc(C)c1CN(C)CCC(F)(F)F ZINC000533033599 387918503 /nfs/dbraw/zinc/91/85/03/387918503.db2.gz AGXBHUMRNCTJRJ-UHFFFAOYSA-N 0 3 245.288 3.688 20 0 BHADHN CC(C)N(Cc1ccc(F)cc1F)CC1CC1 ZINC000533034678 387923942 /nfs/dbraw/zinc/92/39/42/387923942.db2.gz HAHQIEXCYIIUGG-UHFFFAOYSA-N 0 3 239.309 3.585 20 0 BHADHN CC(C)N(Cc1ccccc1Cl)CC1CC1 ZINC000533035223 387925773 /nfs/dbraw/zinc/92/57/73/387925773.db2.gz XDQLNOYSGCYZNC-UHFFFAOYSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H](N(C)Cc1nc2ccccc2o1)C(C)(C)C ZINC000533249758 388039537 /nfs/dbraw/zinc/03/95/37/388039537.db2.gz SKRMSOZFKLGRDX-LLVKDONJSA-N 0 3 246.354 3.694 20 0 BHADHN C[C@H](N(C)Cc1nc2ccccc2o1)C(C)(C)C ZINC000533249759 388038258 /nfs/dbraw/zinc/03/82/58/388038258.db2.gz SKRMSOZFKLGRDX-NSHDSACASA-N 0 3 246.354 3.694 20 0 BHADHN C[C@H](N(C)Cc1cccc(F)c1F)C(C)(C)C ZINC000533249841 388039266 /nfs/dbraw/zinc/03/92/66/388039266.db2.gz ARYPPRURYLMEKI-JTQLQIEISA-N 0 3 241.325 3.831 20 0 BHADHN C[C@@H](N(C)Cc1cccc(F)c1F)C(C)(C)C ZINC000533249842 388038792 /nfs/dbraw/zinc/03/87/92/388038792.db2.gz ARYPPRURYLMEKI-SNVBAGLBSA-N 0 3 241.325 3.831 20 0 BHADHN c1cc(CN2CCC[C@H]2CC2CCCCC2)on1 ZINC000533256995 388036699 /nfs/dbraw/zinc/03/66/99/388036699.db2.gz LTDISPKBVAHTOY-AWEZNQCLSA-N 0 3 248.370 3.609 20 0 BHADHN c1cc(CN2CCC[C@@H]2CC2CCCCC2)on1 ZINC000533256996 388037766 /nfs/dbraw/zinc/03/77/66/388037766.db2.gz LTDISPKBVAHTOY-CQSZACIVSA-N 0 3 248.370 3.609 20 0 BHADHN CC(C)N(Cc1cc(F)ccc1F)CC1CC1 ZINC000533359004 388062100 /nfs/dbraw/zinc/06/21/00/388062100.db2.gz SPOBSZBWCJEFRC-UHFFFAOYSA-N 0 3 239.309 3.585 20 0 BHADHN Fc1ccc(C2(N[C@H]3C=CCCC3)CC2)cc1 ZINC000533390664 322818153 /nfs/dbraw/zinc/81/81/53/322818153.db2.gz PWNGVXNIQCNDSB-AWEZNQCLSA-N 0 3 231.314 3.513 20 0 BHADHN Fc1ccc(C2(N[C@@H]3C=CCCC3)CC2)cc1 ZINC000533390673 384260409 /nfs/dbraw/zinc/26/04/09/384260409.db2.gz PWNGVXNIQCNDSB-CQSZACIVSA-N 0 3 231.314 3.513 20 0 BHADHN Cc1ccc(CCN2Cc3ccccc3C2)cc1 ZINC000533414898 384279513 /nfs/dbraw/zinc/27/95/13/384279513.db2.gz BBKXZRPEDYZGED-UHFFFAOYSA-N 0 3 237.346 3.553 20 0 BHADHN C[C@H](c1ccccc1F)N(C)CC(C)(C)C ZINC000533416212 384283672 /nfs/dbraw/zinc/28/36/72/384283672.db2.gz OQNLFVXLFUIWCX-LLVKDONJSA-N 0 3 223.335 3.865 20 0 BHADHN C[C@@H](c1ccccc1F)N(C)CC(C)(C)C ZINC000533416221 384282816 /nfs/dbraw/zinc/28/28/16/384282816.db2.gz OQNLFVXLFUIWCX-NSHDSACASA-N 0 3 223.335 3.865 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2nc3ccccc3s2)C1 ZINC000533433183 384311218 /nfs/dbraw/zinc/31/12/18/384311218.db2.gz MWIQFXDLLLDXOK-GHMZBOCLSA-N 0 3 246.379 3.527 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2nc3ccccc3s2)C1 ZINC000533433186 384310368 /nfs/dbraw/zinc/31/03/68/384310368.db2.gz MWIQFXDLLLDXOK-MNOVXSKESA-N 0 3 246.379 3.527 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2nc3ccccc3s2)C1 ZINC000533433188 384309219 /nfs/dbraw/zinc/30/92/19/384309219.db2.gz MWIQFXDLLLDXOK-QWRGUYRKSA-N 0 3 246.379 3.527 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1nc2ccccc2s1 ZINC000533433189 384309492 /nfs/dbraw/zinc/30/94/92/384309492.db2.gz MWIQFXDLLLDXOK-WDEREUQCSA-N 0 3 246.379 3.527 20 0 BHADHN CC(C)N(Cc1cccc(F)c1F)CC1CC1 ZINC000533488577 384367891 /nfs/dbraw/zinc/36/78/91/384367891.db2.gz ZMYQGKSWTLEUBZ-UHFFFAOYSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H](C)N(C)Cc1ccccc1OC(C)C ZINC000533504467 384396506 /nfs/dbraw/zinc/39/65/06/384396506.db2.gz HEOMOKRVKWGRSZ-CYBMUJFWSA-N 0 3 235.371 3.704 20 0 BHADHN CC[C@H](C)N(C)Cc1ccccc1OC(C)C ZINC000533504469 384397113 /nfs/dbraw/zinc/39/71/13/384397113.db2.gz HEOMOKRVKWGRSZ-ZDUSSCGKSA-N 0 3 235.371 3.704 20 0 BHADHN CC[C@H](C)N(C)Cc1ccccc1Cl ZINC000533504831 384397472 /nfs/dbraw/zinc/39/74/72/384397472.db2.gz AXOIBQRYMDBUTF-JTQLQIEISA-N 0 3 211.736 3.570 20 0 BHADHN CC[C@@H](C)N(C)Cc1ccccc1Cl ZINC000533504835 384396763 /nfs/dbraw/zinc/39/67/63/384396763.db2.gz AXOIBQRYMDBUTF-SNVBAGLBSA-N 0 3 211.736 3.570 20 0 BHADHN CC(C)Oc1ccccc1CN(C)CCC1CC1 ZINC000533539160 384519932 /nfs/dbraw/zinc/51/99/32/384519932.db2.gz CHZPFTWZIAQOHO-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN CC1=CCN(CCc2ccccc2Cl)CC1 ZINC000533760625 384181065 /nfs/dbraw/zinc/18/10/65/384181065.db2.gz HSNNMOJZQXZVJU-UHFFFAOYSA-N 0 3 235.758 3.535 20 0 BHADHN CC1=CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000533760722 384180203 /nfs/dbraw/zinc/18/02/03/384180203.db2.gz GPOKCUJIOVERGY-INIZCTEOSA-N 0 3 245.341 3.855 20 0 BHADHN CC1=CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000533760743 384179432 /nfs/dbraw/zinc/17/94/32/384179432.db2.gz GPOKCUJIOVERGY-MRXNPFEDSA-N 0 3 245.341 3.855 20 0 BHADHN CC1=CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000533762600 384182195 /nfs/dbraw/zinc/18/21/95/384182195.db2.gz QVPGNKVEESUHGX-GFCCVEGCSA-N 0 3 219.303 3.539 20 0 BHADHN CC1=CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000533762605 384182854 /nfs/dbraw/zinc/18/28/54/384182854.db2.gz QVPGNKVEESUHGX-LBPRGKRZSA-N 0 3 219.303 3.539 20 0 BHADHN CC(C)=CCN(C)Cc1cccc(OC(C)C)c1 ZINC000533768743 384188420 /nfs/dbraw/zinc/18/84/20/384188420.db2.gz ZCTSZEXIBOIGRN-UHFFFAOYSA-N 0 3 247.382 3.872 20 0 BHADHN FC(F)(F)C1=CCN(CCC2CCCC2)CC1 ZINC000533832239 384675766 /nfs/dbraw/zinc/67/57/66/384675766.db2.gz KLVLPLORGGOKDP-UHFFFAOYSA-N 0 3 247.304 3.761 20 0 BHADHN CC(C)(C)CCN1CC=C(C(F)(F)F)CC1 ZINC000533834423 384680498 /nfs/dbraw/zinc/68/04/98/384680498.db2.gz JWINIIXSQWTKND-UHFFFAOYSA-N 0 3 235.293 3.617 20 0 BHADHN C1CCC(N2CCSC3(CCCCC3)C2)C1 ZINC000534218174 323114664 /nfs/dbraw/zinc/11/46/64/323114664.db2.gz QBBWRAHGVBTMFE-UHFFFAOYSA-N 0 3 239.428 3.681 20 0 BHADHN CCCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000534228363 323114699 /nfs/dbraw/zinc/11/46/99/323114699.db2.gz LTRXGWQDKBSFOY-UHFFFAOYSA-N 0 3 229.726 3.711 20 0 BHADHN c1cc(CN2CCCC2)cc(OC2CCCC2)c1 ZINC000534329722 323116891 /nfs/dbraw/zinc/11/68/91/323116891.db2.gz NLTCBISDBKYHRF-UHFFFAOYSA-N 0 3 245.366 3.604 20 0 BHADHN CCOc1ccccc1CN(C)CC(C)(C)C ZINC000534344025 323117416 /nfs/dbraw/zinc/11/74/16/323117416.db2.gz GPTCEZADBXAGSG-UHFFFAOYSA-N 0 3 235.371 3.563 20 0 BHADHN CCC(CC)N(Cc1cnn(C(C)C)c1)C1CC1 ZINC000534344815 323117314 /nfs/dbraw/zinc/11/73/14/323117314.db2.gz JMXKSCLICCGQDY-UHFFFAOYSA-N 0 3 249.402 3.617 20 0 BHADHN CCC(CC)N(Cc1scnc1C)C1CC1 ZINC000534345206 323117298 /nfs/dbraw/zinc/11/72/98/323117298.db2.gz JTNIKEBHBNDLLK-UHFFFAOYSA-N 0 3 238.400 3.605 20 0 BHADHN C[C@H](N(C)Cc1ccc(F)cc1F)C(C)(C)C ZINC000534349900 323117572 /nfs/dbraw/zinc/11/75/72/323117572.db2.gz VLGFJSJQVITVFG-JTQLQIEISA-N 0 3 241.325 3.831 20 0 BHADHN C[C@@H](N(C)Cc1ccc(F)cc1F)C(C)(C)C ZINC000534349912 323117540 /nfs/dbraw/zinc/11/75/40/323117540.db2.gz VLGFJSJQVITVFG-SNVBAGLBSA-N 0 3 241.325 3.831 20 0 BHADHN CCc1ncc(CN(C)[C@@H](C)C(C)(C)C)s1 ZINC000534349942 323117552 /nfs/dbraw/zinc/11/75/52/323117552.db2.gz JKICYDGWTLSTJZ-JTQLQIEISA-N 0 3 240.416 3.572 20 0 BHADHN CCc1ncc(CN(C)[C@H](C)C(C)(C)C)s1 ZINC000534349943 323117465 /nfs/dbraw/zinc/11/74/65/323117465.db2.gz JKICYDGWTLSTJZ-SNVBAGLBSA-N 0 3 240.416 3.572 20 0 BHADHN COc1ccsc1CN(C)[C@@H](C)C(C)(C)C ZINC000534349968 323117472 /nfs/dbraw/zinc/11/74/72/323117472.db2.gz QQWLNKGNJKRXPR-JTQLQIEISA-N 0 3 241.400 3.623 20 0 BHADHN COc1ccsc1CN(C)[C@H](C)C(C)(C)C ZINC000534349969 323117533 /nfs/dbraw/zinc/11/75/33/323117533.db2.gz QQWLNKGNJKRXPR-SNVBAGLBSA-N 0 3 241.400 3.623 20 0 BHADHN CCOCCN[C@H](C)c1ccccc1C(C)(C)C ZINC000534352414 323117637 /nfs/dbraw/zinc/11/76/37/323117637.db2.gz LVLFVOXZQDJOMV-CYBMUJFWSA-N 0 3 249.398 3.671 20 0 BHADHN CCOCCN[C@@H](C)c1ccccc1C(C)(C)C ZINC000534352415 323117746 /nfs/dbraw/zinc/11/77/46/323117746.db2.gz LVLFVOXZQDJOMV-ZDUSSCGKSA-N 0 3 249.398 3.671 20 0 BHADHN CC1=CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000534472083 323152750 /nfs/dbraw/zinc/15/27/50/323152750.db2.gz GHMHJQPXFMUGMN-UHFFFAOYSA-N 0 3 245.366 3.626 20 0 BHADHN CN(Cc1cc(Cl)cc(Cl)c1)C1CCC1 ZINC000534544520 323153318 /nfs/dbraw/zinc/15/33/18/323153318.db2.gz BJCZSBPLNVXZLC-UHFFFAOYSA-N 0 3 244.165 3.978 20 0 BHADHN CC(C)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000534755983 323160792 /nfs/dbraw/zinc/16/07/92/323160792.db2.gz GRDDPDLFHFJAHY-UHFFFAOYSA-N 0 3 233.330 3.713 20 0 BHADHN Fc1ccc2oc(CN3C4CCC3CC4)cc2c1 ZINC000535066943 323164980 /nfs/dbraw/zinc/16/49/80/323164980.db2.gz ZKRUZPLBODSFOE-UHFFFAOYSA-N 0 3 245.297 3.699 20 0 BHADHN Clc1ccc(CN(C2CC2)C2CCCC2)o1 ZINC000535069176 323165239 /nfs/dbraw/zinc/16/52/39/323165239.db2.gz AHPKYWQPPWWEMN-UHFFFAOYSA-N 0 3 239.746 3.840 20 0 BHADHN CCOc1ccccc1CN(CC(C)C)C1CC1 ZINC000535070206 323165266 /nfs/dbraw/zinc/16/52/66/323165266.db2.gz AMJMOKDWSCBPJO-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN Cc1ccc(F)c(CN(CC2CC2)C(C)C)c1 ZINC000535072664 323165497 /nfs/dbraw/zinc/16/54/97/323165497.db2.gz HLXUSSDBMFYFOR-UHFFFAOYSA-N 0 3 235.346 3.755 20 0 BHADHN CCC[C@H](C)N(C)Cc1cnc(C2CC2)s1 ZINC000535073415 323165557 /nfs/dbraw/zinc/16/55/57/323165557.db2.gz OBAMAKPFRGWEHM-JTQLQIEISA-N 0 3 238.400 3.641 20 0 BHADHN CCC[C@@H](C)N(C)Cc1cnc(C2CC2)s1 ZINC000535073416 323165549 /nfs/dbraw/zinc/16/55/49/323165549.db2.gz OBAMAKPFRGWEHM-SNVBAGLBSA-N 0 3 238.400 3.641 20 0 BHADHN CC1=CCN([C@H](C)c2ccccc2F)CC1 ZINC000535207244 323168499 /nfs/dbraw/zinc/16/84/99/323168499.db2.gz RDAAYHIYSJJQOO-GFCCVEGCSA-N 0 3 219.303 3.539 20 0 BHADHN CC1=CCN([C@@H](C)c2ccccc2F)CC1 ZINC000535207253 323168411 /nfs/dbraw/zinc/16/84/11/323168411.db2.gz RDAAYHIYSJJQOO-LBPRGKRZSA-N 0 3 219.303 3.539 20 0 BHADHN CC1=CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000535207448 323168414 /nfs/dbraw/zinc/16/84/14/323168414.db2.gz SCMWEEZLDQFFKS-GFCCVEGCSA-N 0 3 219.303 3.539 20 0 BHADHN CC1=CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000535207453 323168491 /nfs/dbraw/zinc/16/84/91/323168491.db2.gz SCMWEEZLDQFFKS-LBPRGKRZSA-N 0 3 219.303 3.539 20 0 BHADHN CC1=CCN(Cc2cc3ccccc3o2)CC1 ZINC000535208852 323167913 /nfs/dbraw/zinc/16/79/13/323167913.db2.gz YIRFDQUPMCSZGQ-UHFFFAOYSA-N 0 3 227.307 3.585 20 0 BHADHN CC[C@@H](c1ccc(F)cc1)N1CC=C(C)CC1 ZINC000535216728 323168137 /nfs/dbraw/zinc/16/81/37/323168137.db2.gz PLNRZMAWDNTIRM-HNNXBMFYSA-N 0 3 233.330 3.929 20 0 BHADHN CC[C@H](c1ccc(F)cc1)N1CC=C(C)CC1 ZINC000535216739 323168108 /nfs/dbraw/zinc/16/81/08/323168108.db2.gz PLNRZMAWDNTIRM-OAHLLOKOSA-N 0 3 233.330 3.929 20 0 BHADHN CN(C)CCS[C@H]1CCCCc2ccccc21 ZINC000535254152 323169178 /nfs/dbraw/zinc/16/91/78/323169178.db2.gz BIKFYQHLNVSAFY-HNNXBMFYSA-N 0 3 249.423 3.749 20 0 BHADHN CN(C)CCS[C@@H]1CCCCc2ccccc21 ZINC000535254168 323169187 /nfs/dbraw/zinc/16/91/87/323169187.db2.gz BIKFYQHLNVSAFY-OAHLLOKOSA-N 0 3 249.423 3.749 20 0 BHADHN CCCC[C@@H](CCC)SCCN(C)C ZINC000535254646 323169060 /nfs/dbraw/zinc/16/90/60/323169060.db2.gz FRKHYMHBYARHBE-GFCCVEGCSA-N 0 3 217.422 3.640 20 0 BHADHN CCCC[C@H](CCC)SCCN(C)C ZINC000535254653 323169077 /nfs/dbraw/zinc/16/90/77/323169077.db2.gz FRKHYMHBYARHBE-LBPRGKRZSA-N 0 3 217.422 3.640 20 0 BHADHN FC(F)(F)C1=CCN(CC2CCCCC2)CC1 ZINC000535283124 323170101 /nfs/dbraw/zinc/17/01/01/323170101.db2.gz GULXJDNINWPPIT-UHFFFAOYSA-N 0 3 247.304 3.761 20 0 BHADHN CCC[C@H]1CN([C@H](C)c2ccccc2C)CCO1 ZINC000535442408 323173019 /nfs/dbraw/zinc/17/30/19/323173019.db2.gz PHWWBHKYEXNQBJ-CABCVRRESA-N 0 3 247.382 3.557 20 0 BHADHN CCC[C@H]1CN([C@@H](C)c2ccccc2C)CCO1 ZINC000535442411 323173086 /nfs/dbraw/zinc/17/30/86/323173086.db2.gz PHWWBHKYEXNQBJ-GJZGRUSLSA-N 0 3 247.382 3.557 20 0 BHADHN CCC[C@@H]1CN([C@H](C)c2ccccc2C)CCO1 ZINC000535442412 323173094 /nfs/dbraw/zinc/17/30/94/323173094.db2.gz PHWWBHKYEXNQBJ-HUUCEWRRSA-N 0 3 247.382 3.557 20 0 BHADHN CCC[C@@H]1CN([C@@H](C)c2ccccc2C)CCO1 ZINC000535442415 323173149 /nfs/dbraw/zinc/17/31/49/323173149.db2.gz PHWWBHKYEXNQBJ-LSDHHAIUSA-N 0 3 247.382 3.557 20 0 BHADHN CC(C)CCn1cccc1CN1C2CCC1CC2 ZINC000535782541 323191187 /nfs/dbraw/zinc/19/11/87/323191187.db2.gz NMHHNYCITYCEJK-UHFFFAOYSA-N 0 3 246.398 3.661 20 0 BHADHN CCc1ccc(CN(C2CC2)C2CCCC2)o1 ZINC000535783134 323191166 /nfs/dbraw/zinc/19/11/66/323191166.db2.gz PPCHMTVTTYCMHE-UHFFFAOYSA-N 0 3 233.355 3.749 20 0 BHADHN CCN(Cc1ccc(C)o1)Cc1ccc(C)cc1 ZINC000535785534 323191468 /nfs/dbraw/zinc/19/14/68/323191468.db2.gz FYXSUVHNHHZJAW-UHFFFAOYSA-N 0 3 243.350 3.919 20 0 BHADHN CC(C)N(Cc1ccc(Cl)o1)CC1CC1 ZINC000535786824 323191534 /nfs/dbraw/zinc/19/15/34/323191534.db2.gz UBRAKIHUQIMAFK-UHFFFAOYSA-N 0 3 227.735 3.553 20 0 BHADHN Cc1ccc(CN2CC=C(C(C)(C)C)CC2)o1 ZINC000535807052 323192008 /nfs/dbraw/zinc/19/20/08/323192008.db2.gz TYOKPRBXKTWCHX-UHFFFAOYSA-N 0 3 233.355 3.766 20 0 BHADHN CN(CCC1CC1)Cc1cccc(Cl)c1F ZINC000535808846 323192196 /nfs/dbraw/zinc/19/21/96/323192196.db2.gz ZSMZHJCIHQODJS-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CC[C@@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000535825677 323192850 /nfs/dbraw/zinc/19/28/50/323192850.db2.gz LSPFMXFWXZOJJL-SECBINFHSA-N 0 3 229.776 3.633 20 0 BHADHN CC[C@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000535825678 323192788 /nfs/dbraw/zinc/19/27/88/323192788.db2.gz LSPFMXFWXZOJJL-VIFPVBQESA-N 0 3 229.776 3.633 20 0 BHADHN C[C@@H](N(C)Cc1ccc(Cl)o1)C(C)(C)C ZINC000535827167 323192730 /nfs/dbraw/zinc/19/27/30/323192730.db2.gz ARBAVXDBCJCWKT-SECBINFHSA-N 0 3 229.751 3.799 20 0 BHADHN C[C@H](N(C)Cc1ccc(Cl)o1)C(C)(C)C ZINC000535827168 323192694 /nfs/dbraw/zinc/19/26/94/323192694.db2.gz ARBAVXDBCJCWKT-VIFPVBQESA-N 0 3 229.751 3.799 20 0 BHADHN CC(C)CCn1cccc1CN1CCCCC1 ZINC000535840969 323193181 /nfs/dbraw/zinc/19/31/81/323193181.db2.gz PESKIAZGOQXOBK-UHFFFAOYSA-N 0 3 234.387 3.520 20 0 BHADHN Cc1cc(N2CC=C(C)CC2)c2ccccc2n1 ZINC000535887282 323193797 /nfs/dbraw/zinc/19/37/97/323193797.db2.gz HJQGFWZWBBWAGL-UHFFFAOYSA-N 0 3 238.334 3.700 20 0 BHADHN CC1=CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000535968787 323194813 /nfs/dbraw/zinc/19/48/13/323194813.db2.gz JSJFUQRQKOQENY-HNNXBMFYSA-N 0 3 247.769 3.979 20 0 BHADHN CC1=CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000535968796 323194902 /nfs/dbraw/zinc/19/49/02/323194902.db2.gz JSJFUQRQKOQENY-OAHLLOKOSA-N 0 3 247.769 3.979 20 0 BHADHN CC(C)(C)C1=CCN(CCC(F)(F)F)CC1 ZINC000536168958 323196418 /nfs/dbraw/zinc/19/64/18/323196418.db2.gz ICCZSAHIIWFWAN-UHFFFAOYSA-N 0 3 235.293 3.617 20 0 BHADHN CCC[C@@H]1CN([C@@H](CC)c2ccccc2)CCO1 ZINC000536177425 323196256 /nfs/dbraw/zinc/19/62/56/323196256.db2.gz YHILDDCRLVIQOL-CVEARBPZSA-N 0 3 247.382 3.639 20 0 BHADHN CCC[C@H]1CN([C@@H](CC)c2ccccc2)CCO1 ZINC000536177426 323196394 /nfs/dbraw/zinc/19/63/94/323196394.db2.gz YHILDDCRLVIQOL-HOTGVXAUSA-N 0 3 247.382 3.639 20 0 BHADHN CCC[C@@H]1CN([C@H](CC)c2ccccc2)CCO1 ZINC000536177427 323196457 /nfs/dbraw/zinc/19/64/57/323196457.db2.gz YHILDDCRLVIQOL-HZPDHXFCSA-N 0 3 247.382 3.639 20 0 BHADHN CCC[C@H]1CN([C@H](CC)c2ccccc2)CCO1 ZINC000536177429 323196401 /nfs/dbraw/zinc/19/64/01/323196401.db2.gz YHILDDCRLVIQOL-JKSUJKDBSA-N 0 3 247.382 3.639 20 0 BHADHN CCSCCN1Cc2ccccc2C(C)(C)C1 ZINC000536179659 323196423 /nfs/dbraw/zinc/19/64/23/323196423.db2.gz DBYDRMRGDRVCEV-UHFFFAOYSA-N 0 3 249.423 3.533 20 0 BHADHN CN(CCC1CC1)Cc1ccc(Cl)c(F)c1 ZINC000536487214 384867817 /nfs/dbraw/zinc/86/78/17/384867817.db2.gz ZNHBUVXVAVXEAZ-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CC(C)Oc1ccc(CN2CCC(C)CC2)cc1 ZINC000536622862 323198757 /nfs/dbraw/zinc/19/87/57/323198757.db2.gz IDRSRNBBNIHVFP-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN CN(Cc1cc(F)ccc1F)C1CCCCC1 ZINC000536626374 323198638 /nfs/dbraw/zinc/19/86/38/323198638.db2.gz XUJCWDLBFMHFEJ-UHFFFAOYSA-N 0 3 239.309 3.729 20 0 BHADHN CSc1ccc(CN2C3CCC2CC3)cc1 ZINC000536627944 323198802 /nfs/dbraw/zinc/19/88/02/323198802.db2.gz SDMCPXUGUYKJMK-UHFFFAOYSA-N 0 3 233.380 3.535 20 0 BHADHN CCCOc1cccc(CN2C3CCC2CC3)c1 ZINC000536628145 323198915 /nfs/dbraw/zinc/19/89/15/323198915.db2.gz FEPHYBNWFFDGRJ-UHFFFAOYSA-N 0 3 245.366 3.602 20 0 BHADHN c1nc(C2CCC2)sc1CN1C2CCC1CC2 ZINC000536628176 323198839 /nfs/dbraw/zinc/19/88/39/323198839.db2.gz SPGURTQJGDUMDJ-UHFFFAOYSA-N 0 3 248.395 3.537 20 0 BHADHN CN(Cc1ccc(Cl)s1)CC(C)(C)C ZINC000536631604 323199028 /nfs/dbraw/zinc/19/90/28/323199028.db2.gz CADDHKGYTRUCQU-UHFFFAOYSA-N 0 3 231.792 3.879 20 0 BHADHN CCc1ccc(CN(C)[C@H](C)C(C)(C)C)o1 ZINC000536655934 323200076 /nfs/dbraw/zinc/20/00/76/323200076.db2.gz HJRABIGUTSEGRH-LLVKDONJSA-N 0 3 223.360 3.708 20 0 BHADHN CCc1ccc(CN(C)[C@@H](C)C(C)(C)C)o1 ZINC000536655935 323200024 /nfs/dbraw/zinc/20/00/24/323200024.db2.gz HJRABIGUTSEGRH-NSHDSACASA-N 0 3 223.360 3.708 20 0 BHADHN Cc1nc(C)c(CN(C)[C@@H](C)C(C)(C)C)s1 ZINC000536655936 323199969 /nfs/dbraw/zinc/19/99/69/323199969.db2.gz IICDQUPUTCAKFP-JTQLQIEISA-N 0 3 240.416 3.626 20 0 BHADHN Cc1nc(C)c(CN(C)[C@H](C)C(C)(C)C)s1 ZINC000536655937 323199973 /nfs/dbraw/zinc/19/99/73/323199973.db2.gz IICDQUPUTCAKFP-SNVBAGLBSA-N 0 3 240.416 3.626 20 0 BHADHN C[C@H](N(C)Cc1cc(F)cc(F)c1)C(C)(C)C ZINC000536655942 323200010 /nfs/dbraw/zinc/20/00/10/323200010.db2.gz KYGMVWJJGJZCHM-JTQLQIEISA-N 0 3 241.325 3.831 20 0 BHADHN C[C@@H](N(C)Cc1cc(F)cc(F)c1)C(C)(C)C ZINC000536655943 323199938 /nfs/dbraw/zinc/19/99/38/323199938.db2.gz KYGMVWJJGJZCHM-SNVBAGLBSA-N 0 3 241.325 3.831 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2ccc(Cl)s2)C1 ZINC000536659349 323199707 /nfs/dbraw/zinc/19/97/07/323199707.db2.gz XZPUHQPHWJVTFD-BDAKNGLRSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1ccc(Cl)s1 ZINC000536659350 323199755 /nfs/dbraw/zinc/19/97/55/323199755.db2.gz XZPUHQPHWJVTFD-DTWKUNHWSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2ccc(Cl)s2)C1 ZINC000536659351 323199899 /nfs/dbraw/zinc/19/98/99/323199899.db2.gz XZPUHQPHWJVTFD-IUCAKERBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2ccc(Cl)s2)C1 ZINC000536659352 323199825 /nfs/dbraw/zinc/19/98/25/323199825.db2.gz XZPUHQPHWJVTFD-RKDXNWHRSA-N 0 3 229.776 3.632 20 0 BHADHN CCN(Cc1cccc(Cl)c1F)C1CCC1 ZINC000536661688 323199890 /nfs/dbraw/zinc/19/98/90/323199890.db2.gz CCGZCBHQECQMMY-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN Cc1ccc(F)c(CN(C(C)C)C2CCC2)c1 ZINC000536661709 323199788 /nfs/dbraw/zinc/19/97/88/323199788.db2.gz CZCXZJJGGLLELQ-UHFFFAOYSA-N 0 3 235.346 3.897 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2C[C@H](C)C[C@@H]2C)o1 ZINC000536662858 323199828 /nfs/dbraw/zinc/19/98/28/323199828.db2.gz DPFZMWUOLMWJFR-NMKXLXIOSA-N 0 3 233.355 3.633 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2C[C@H](C)C[C@@H]2C)o1 ZINC000536662859 323199882 /nfs/dbraw/zinc/19/98/82/323199882.db2.gz DPFZMWUOLMWJFR-NRWUCQMLSA-N 0 3 233.355 3.633 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN2C[C@H](C)C[C@@H]2C)o1 ZINC000536662860 323199839 /nfs/dbraw/zinc/19/98/39/323199839.db2.gz DPFZMWUOLMWJFR-OWTLIXCDSA-N 0 3 233.355 3.633 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN2C[C@H](C)C[C@@H]2C)o1 ZINC000536662861 323199737 /nfs/dbraw/zinc/19/97/37/323199737.db2.gz DPFZMWUOLMWJFR-UHXUPSOCSA-N 0 3 233.355 3.633 20 0 BHADHN CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1cccc([O-])c1 ZINC000536665664 323200169 /nfs/dbraw/zinc/20/01/69/323200169.db2.gz XKGJYVPHCGLRTQ-HNNXBMFYSA-N 0 3 247.382 3.793 20 0 BHADHN CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccc([O-])c1 ZINC000536665664 323200168 /nfs/dbraw/zinc/20/01/68/323200168.db2.gz XKGJYVPHCGLRTQ-HNNXBMFYSA-N 0 3 247.382 3.793 20 0 BHADHN CCC(C)(C)[C@H]1CCC[N@H+]1Cc1cccc([O-])c1 ZINC000536665665 323200185 /nfs/dbraw/zinc/20/01/85/323200185.db2.gz XKGJYVPHCGLRTQ-OAHLLOKOSA-N 0 3 247.382 3.793 20 0 BHADHN CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1cccc([O-])c1 ZINC000536665665 323200184 /nfs/dbraw/zinc/20/01/84/323200184.db2.gz XKGJYVPHCGLRTQ-OAHLLOKOSA-N 0 3 247.382 3.793 20 0 BHADHN C/C(=C\c1ccccc1)CN1CC=C(C)CC1 ZINC000536668985 323200332 /nfs/dbraw/zinc/20/03/32/323200332.db2.gz VSXGNFILBWPGFM-NTCAYCPXSA-N 0 3 227.351 3.742 20 0 BHADHN C/C(=C/c1ccccc1)CN1CC=C(C)CC1 ZINC000536668986 323200273 /nfs/dbraw/zinc/20/02/73/323200273.db2.gz VSXGNFILBWPGFM-QINSGFPZSA-N 0 3 227.351 3.742 20 0 BHADHN CCCOc1cccc(CN2CCC23CCC3)c1 ZINC000536676619 323200671 /nfs/dbraw/zinc/20/06/71/323200671.db2.gz TVHUIVKKDWPUJO-UHFFFAOYSA-N 0 3 245.366 3.604 20 0 BHADHN Cc1ccc(C[C@H](C)N(C)Cc2ccco2)cc1 ZINC000536681442 323200799 /nfs/dbraw/zinc/20/07/99/323200799.db2.gz VXASCKZGYDYXEJ-AWEZNQCLSA-N 0 3 243.350 3.651 20 0 BHADHN Cc1ccc(C[C@@H](C)N(C)Cc2ccco2)cc1 ZINC000536681443 323200817 /nfs/dbraw/zinc/20/08/17/323200817.db2.gz VXASCKZGYDYXEJ-CQSZACIVSA-N 0 3 243.350 3.651 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@@H](C3CC3)C2)o1 ZINC000536695205 323201087 /nfs/dbraw/zinc/20/10/87/323201087.db2.gz RJPYDIIXUHITNT-KYOSRNDESA-N 0 3 245.366 3.635 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CC[C@H](C3CC3)C2)o1 ZINC000536695206 323201027 /nfs/dbraw/zinc/20/10/27/323201027.db2.gz RJPYDIIXUHITNT-OSAQELSMSA-N 0 3 245.366 3.635 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2CC[C@@H](C3CC3)C2)o1 ZINC000536695207 323201036 /nfs/dbraw/zinc/20/10/36/323201036.db2.gz RJPYDIIXUHITNT-UXIGCNINSA-N 0 3 245.366 3.635 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@H](C3CC3)C2)o1 ZINC000536695208 323201070 /nfs/dbraw/zinc/20/10/70/323201070.db2.gz RJPYDIIXUHITNT-ZLDLUXBVSA-N 0 3 245.366 3.635 20 0 BHADHN CC[C@@]1(C)CCN(Cc2cc(F)cc(F)c2)C1 ZINC000536698325 323201043 /nfs/dbraw/zinc/20/10/43/323201043.db2.gz XQQGCRNTTIJAME-AWEZNQCLSA-N 0 3 239.309 3.587 20 0 BHADHN CC[C@]1(C)CCN(Cc2cc(F)cc(F)c2)C1 ZINC000536698327 323201095 /nfs/dbraw/zinc/20/10/95/323201095.db2.gz XQQGCRNTTIJAME-CQSZACIVSA-N 0 3 239.309 3.587 20 0 BHADHN CC[C@H]1CC[C@H](C)N1Cc1cc(F)ccc1F ZINC000536743697 323202878 /nfs/dbraw/zinc/20/28/78/323202878.db2.gz OAICPZXTIFQBCI-GWCFXTLKSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@@H]1CC[C@H](C)N1Cc1cc(F)ccc1F ZINC000536743698 323202855 /nfs/dbraw/zinc/20/28/55/323202855.db2.gz OAICPZXTIFQBCI-GXFFZTMASA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@H]1CC[C@@H](C)N1Cc1cc(F)ccc1F ZINC000536743699 323202826 /nfs/dbraw/zinc/20/28/26/323202826.db2.gz OAICPZXTIFQBCI-MFKMUULPSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@@H]1CC[C@@H](C)N1Cc1cc(F)ccc1F ZINC000536743700 323202887 /nfs/dbraw/zinc/20/28/87/323202887.db2.gz OAICPZXTIFQBCI-ZWNOBZJWSA-N 0 3 239.309 3.728 20 0 BHADHN Cc1cccnc1CN1CC=C(C(C)(C)C)CC1 ZINC000536750134 323203020 /nfs/dbraw/zinc/20/30/20/323203020.db2.gz QYAQCCXCQIGSFB-UHFFFAOYSA-N 0 3 244.382 3.568 20 0 BHADHN Cc1cccnc1CN(C)CCC1CCCCC1 ZINC000536753847 323202909 /nfs/dbraw/zinc/20/29/09/323202909.db2.gz STQIISIYRDQNKO-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CC(C)CCC[C@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000536855227 387582870 /nfs/dbraw/zinc/58/28/70/387582870.db2.gz ZWCCCIIKHSOMAU-GXTWGEPZSA-N 0 3 249.402 3.592 20 0 BHADHN CC(C)CCC[C@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000536855240 387582958 /nfs/dbraw/zinc/58/29/58/387582958.db2.gz ZWCCCIIKHSOMAU-JSGCOSHPSA-N 0 3 249.402 3.592 20 0 BHADHN CC(C)CCC[C@@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000536855241 387582969 /nfs/dbraw/zinc/58/29/69/387582969.db2.gz ZWCCCIIKHSOMAU-OCCSQVGLSA-N 0 3 249.402 3.592 20 0 BHADHN CC(C)CCC[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000536855242 387583284 /nfs/dbraw/zinc/58/32/84/387583284.db2.gz ZWCCCIIKHSOMAU-TZMCWYRMSA-N 0 3 249.402 3.592 20 0 BHADHN Fc1ccc(F)c2c1CC[C@@H]2N[C@H]1CC=CCC1 ZINC000536855878 323671315 /nfs/dbraw/zinc/67/13/15/323671315.db2.gz BYNOJQCVBNTSMS-HZMBPMFUSA-N 0 3 249.304 3.650 20 0 BHADHN Fc1ccc(F)c2c1CC[C@H]2N[C@H]1CC=CCC1 ZINC000536855909 323671227 /nfs/dbraw/zinc/67/12/27/323671227.db2.gz BYNOJQCVBNTSMS-IINYFYTJSA-N 0 3 249.304 3.650 20 0 BHADHN Fc1ccc(F)c2c1CC[C@H]2N[C@@H]1CC=CCC1 ZINC000536855912 387582691 /nfs/dbraw/zinc/58/26/91/387582691.db2.gz BYNOJQCVBNTSMS-QMTHXVAHSA-N 0 3 249.304 3.650 20 0 BHADHN Fc1ccc(F)c2c1CC[C@@H]2N[C@@H]1CC=CCC1 ZINC000536855913 387582911 /nfs/dbraw/zinc/58/29/11/387582911.db2.gz BYNOJQCVBNTSMS-YGRLFVJLSA-N 0 3 249.304 3.650 20 0 BHADHN Cc1ccc([C@H](C)NCCc2ccc(C)cc2)o1 ZINC000536868270 387632930 /nfs/dbraw/zinc/63/29/30/387632930.db2.gz FKBNADWAIWXLKE-AWEZNQCLSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1ccc([C@@H](C)NCCc2ccc(C)cc2)o1 ZINC000536868329 323674406 /nfs/dbraw/zinc/67/44/06/323674406.db2.gz FKBNADWAIWXLKE-CQSZACIVSA-N 0 3 243.350 3.790 20 0 BHADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1ccoc1 ZINC000536874641 323766287 /nfs/dbraw/zinc/76/62/87/323766287.db2.gz DOIWTWAFOODCMQ-CQDKDKBSSA-N 0 3 233.355 3.899 20 0 BHADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1ccoc1 ZINC000536874642 387848430 /nfs/dbraw/zinc/84/84/30/387848430.db2.gz DOIWTWAFOODCMQ-GLQYFDAESA-N 0 3 233.355 3.899 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1ccoc1 ZINC000536874644 387848025 /nfs/dbraw/zinc/84/80/25/387848025.db2.gz DOIWTWAFOODCMQ-NILFDRSVSA-N 0 3 233.355 3.899 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1ccoc1 ZINC000536874646 387848412 /nfs/dbraw/zinc/84/84/12/387848412.db2.gz DOIWTWAFOODCMQ-TUKIKUTGSA-N 0 3 233.355 3.899 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1Cc1ccccc1)c1ccoc1 ZINC000536879826 323793606 /nfs/dbraw/zinc/79/36/06/323793606.db2.gz XGZVCBICHNHBLE-APHBMKBZSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@H](N[C@H]1C[C@H]1Cc1ccccc1)c1ccoc1 ZINC000536879831 387889082 /nfs/dbraw/zinc/88/90/82/387889082.db2.gz XGZVCBICHNHBLE-MAZHCROVSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@H](N[C@H]1C[C@@H]1Cc1ccccc1)c1ccoc1 ZINC000536879832 387888832 /nfs/dbraw/zinc/88/88/32/387888832.db2.gz XGZVCBICHNHBLE-RCBQFDQVSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccoc1 ZINC000536879833 387889096 /nfs/dbraw/zinc/88/90/96/387889096.db2.gz XGZVCBICHNHBLE-VBNZEHGJSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@@H](N[C@@H]1CC[C@H](C)C1)c1ccc(F)cc1F ZINC000536909522 323896078 /nfs/dbraw/zinc/89/60/78/323896078.db2.gz LICGJCUMCLSXLM-HOSYDEDBSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H]1CC[C@H](C)C1)c1ccc(F)cc1F ZINC000536909541 411259542 /nfs/dbraw/zinc/25/95/42/411259542.db2.gz LICGJCUMCLSXLM-UMNHJUIQSA-N 0 3 239.309 3.804 20 0 BHADHN Cc1ccc([C@@H](C)NCCc2sccc2C)o1 ZINC000537014827 387145706 /nfs/dbraw/zinc/14/57/06/387145706.db2.gz CLZNJOQOVIJKPM-GFCCVEGCSA-N 0 3 249.379 3.851 20 0 BHADHN Cc1ccc([C@H](C)NCCc2sccc2C)o1 ZINC000537014828 387147212 /nfs/dbraw/zinc/14/72/12/387147212.db2.gz CLZNJOQOVIJKPM-LBPRGKRZSA-N 0 3 249.379 3.851 20 0 BHADHN CCOc1cccc([C@H](C)N[C@@H]2C=CCCC2)c1 ZINC000537079234 324006434 /nfs/dbraw/zinc/00/64/34/324006434.db2.gz JIWRHTMJRWUCNF-DZGCQCFKSA-N 0 3 245.366 3.845 20 0 BHADHN CCOc1cccc([C@@H](C)N[C@H]2C=CCCC2)c1 ZINC000537079235 324006588 /nfs/dbraw/zinc/00/65/88/324006588.db2.gz JIWRHTMJRWUCNF-HIFRSBDPSA-N 0 3 245.366 3.845 20 0 BHADHN CCOc1cccc([C@@H](C)N[C@@H]2C=CCCC2)c1 ZINC000537079236 324006739 /nfs/dbraw/zinc/00/67/39/324006739.db2.gz JIWRHTMJRWUCNF-UKRRQHHQSA-N 0 3 245.366 3.845 20 0 BHADHN CCOc1cccc([C@H](C)N[C@H]2C=CCCC2)c1 ZINC000537079237 324006391 /nfs/dbraw/zinc/00/63/91/324006391.db2.gz JIWRHTMJRWUCNF-ZFWWWQNUSA-N 0 3 245.366 3.845 20 0 BHADHN CC(C)(C)c1ccc(C(C)(C)NCCF)cc1 ZINC000537105530 324011042 /nfs/dbraw/zinc/01/10/42/324011042.db2.gz KIRLOTGJXSGDIB-UHFFFAOYSA-N 0 3 237.362 3.778 20 0 BHADHN CC(C)=CCNC(C)(C)c1ccc(F)c(F)c1 ZINC000537133599 324014691 /nfs/dbraw/zinc/01/46/91/324014691.db2.gz HKALGELTEYNVAA-UHFFFAOYSA-N 0 3 239.309 3.756 20 0 BHADHN CC(C)[C@H]1CCN1Cc1ccc(Cl)cc1 ZINC000537199436 324030802 /nfs/dbraw/zinc/03/08/02/324030802.db2.gz QTAVNPUTEAYCGF-CYBMUJFWSA-N 0 3 223.747 3.570 20 0 BHADHN CC(C)[C@@H]1CCN1Cc1ccc(Cl)cc1 ZINC000537199437 324031361 /nfs/dbraw/zinc/03/13/61/324031361.db2.gz QTAVNPUTEAYCGF-ZDUSSCGKSA-N 0 3 223.747 3.570 20 0 BHADHN CC(C)[C@H]1CCN1Cc1ccccc1Cl ZINC000537200316 324031123 /nfs/dbraw/zinc/03/11/23/324031123.db2.gz LIILUHWCKWAQQD-CYBMUJFWSA-N 0 3 223.747 3.570 20 0 BHADHN CC(C)[C@@H]1CCN1Cc1ccccc1Cl ZINC000537200317 324030770 /nfs/dbraw/zinc/03/07/70/324030770.db2.gz LIILUHWCKWAQQD-ZDUSSCGKSA-N 0 3 223.747 3.570 20 0 BHADHN CC(C)Oc1ccc(CN2CC[C@H]2C(C)C)cc1 ZINC000537202590 324034315 /nfs/dbraw/zinc/03/43/15/324034315.db2.gz RQOQBBSUJZKIRD-INIZCTEOSA-N 0 3 247.382 3.704 20 0 BHADHN CC(C)Oc1ccc(CN2CC[C@@H]2C(C)C)cc1 ZINC000537202591 324033717 /nfs/dbraw/zinc/03/37/17/324033717.db2.gz RQOQBBSUJZKIRD-MRXNPFEDSA-N 0 3 247.382 3.704 20 0 BHADHN C[C@@H](NC1(c2ccccc2F)CC1)C1CCCC1 ZINC000537451432 324072536 /nfs/dbraw/zinc/07/25/36/324072536.db2.gz XITYCDPVTRVACC-GFCCVEGCSA-N 0 3 247.357 3.983 20 0 BHADHN C[C@H](NC1(c2ccccc2F)CC1)C1CCCC1 ZINC000537451434 324072544 /nfs/dbraw/zinc/07/25/44/324072544.db2.gz XITYCDPVTRVACC-LBPRGKRZSA-N 0 3 247.357 3.983 20 0 BHADHN CCCCCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000537529832 324077614 /nfs/dbraw/zinc/07/76/14/324077614.db2.gz VKUDDXQVUSYIIN-UHFFFAOYSA-N 0 3 245.288 3.726 20 0 BHADHN CCN(Cc1cc(Cl)ccc1F)C1CCC1 ZINC000537617227 324092717 /nfs/dbraw/zinc/09/27/17/324092717.db2.gz XRTYRBPCBVDGRB-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CC(C)C[C@@H]1CCCC[N@H+]1Cc1cccc([O-])c1 ZINC000537618081 324092271 /nfs/dbraw/zinc/09/22/71/324092271.db2.gz PIRKUVKGTCLUBZ-HNNXBMFYSA-N 0 3 247.382 3.793 20 0 BHADHN CC(C)C[C@@H]1CCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000537618081 324092267 /nfs/dbraw/zinc/09/22/67/324092267.db2.gz PIRKUVKGTCLUBZ-HNNXBMFYSA-N 0 3 247.382 3.793 20 0 BHADHN CC(C)C[C@H]1CCCC[N@H+]1Cc1cccc([O-])c1 ZINC000537618082 324093017 /nfs/dbraw/zinc/09/30/17/324093017.db2.gz PIRKUVKGTCLUBZ-OAHLLOKOSA-N 0 3 247.382 3.793 20 0 BHADHN CC(C)C[C@H]1CCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000537618082 324093015 /nfs/dbraw/zinc/09/30/15/324093015.db2.gz PIRKUVKGTCLUBZ-OAHLLOKOSA-N 0 3 247.382 3.793 20 0 BHADHN CCCOc1ccc(CN2CC=C(C)CC2)cc1 ZINC000537622600 324088066 /nfs/dbraw/zinc/08/80/66/324088066.db2.gz DATBNAFVLRLQLG-UHFFFAOYSA-N 0 3 245.366 3.627 20 0 BHADHN CC1=CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000537625110 324089201 /nfs/dbraw/zinc/08/92/01/324089201.db2.gz KYLAHPXVFJZXPD-UHFFFAOYSA-N 0 3 245.366 3.626 20 0 BHADHN CC1=CCN(Cc2cccn2CCC(C)C)CC1 ZINC000537626071 324088969 /nfs/dbraw/zinc/08/89/69/324088969.db2.gz FWDXRDYOGVFBES-UHFFFAOYSA-N 0 3 246.398 3.686 20 0 BHADHN CC[C@@H]1CCCN1Cc1ccc(Cl)s1 ZINC000537626829 324089369 /nfs/dbraw/zinc/08/93/69/324089369.db2.gz FNPBPJMJVMEKAQ-SECBINFHSA-N 0 3 229.776 3.776 20 0 BHADHN CC[C@H]1CCCN1Cc1ccc(Cl)s1 ZINC000537626839 324089421 /nfs/dbraw/zinc/08/94/21/324089421.db2.gz FNPBPJMJVMEKAQ-VIFPVBQESA-N 0 3 229.776 3.776 20 0 BHADHN CC1(C)CCN(C/C=C\c2ccc(F)cc2)C1 ZINC000537632945 324090205 /nfs/dbraw/zinc/09/02/05/324090205.db2.gz AOQZIPSYXYDSGK-ARJAWSKDSA-N 0 3 233.330 3.571 20 0 BHADHN CC1(C)CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000537632946 324089732 /nfs/dbraw/zinc/08/97/32/324089732.db2.gz AOQZIPSYXYDSGK-ONEGZZNKSA-N 0 3 233.330 3.571 20 0 BHADHN Cc1oc2ccccc2c1CN1CCC1(C)C ZINC000537633817 324091623 /nfs/dbraw/zinc/09/16/23/324091623.db2.gz WJZUTEOXEIZNMD-UHFFFAOYSA-N 0 3 229.323 3.726 20 0 BHADHN C/C(=C\c1ccccc1)CN1CCC1(C)C ZINC000537634295 324091767 /nfs/dbraw/zinc/09/17/67/324091767.db2.gz HGJOGSXVUBRUPP-ACCUITESSA-N 0 3 215.340 3.574 20 0 BHADHN C/C(=C/c1ccccc1)CN1CCC1(C)C ZINC000537634302 324091711 /nfs/dbraw/zinc/09/17/11/324091711.db2.gz HGJOGSXVUBRUPP-QBFSEMIESA-N 0 3 215.340 3.574 20 0 BHADHN CC(C)CCn1cccc1CN1CCC1(C)C ZINC000537635749 324091083 /nfs/dbraw/zinc/09/10/83/324091083.db2.gz SKAGIULUOIGWNR-UHFFFAOYSA-N 0 3 234.387 3.519 20 0 BHADHN CC(C)c1ccc(CN2CCC23CCC3)cc1 ZINC000537635888 324091571 /nfs/dbraw/zinc/09/15/71/324091571.db2.gz CLWCJUMTCDNGPQ-UHFFFAOYSA-N 0 3 229.367 3.938 20 0 BHADHN C/C(=C\c1ccccc1)CN1CCSC[C@H]1C ZINC000537638426 324093465 /nfs/dbraw/zinc/09/34/65/324093465.db2.gz ONKNLUHRIZLTLE-JWAFFJSPSA-N 0 3 247.407 3.527 20 0 BHADHN C/C(=C/c1ccccc1)CN1CCSC[C@H]1C ZINC000537638427 324093838 /nfs/dbraw/zinc/09/38/38/324093838.db2.gz ONKNLUHRIZLTLE-QLKUMGTLSA-N 0 3 247.407 3.527 20 0 BHADHN C/C(=C\c1ccccc1)CN1CCSC[C@@H]1C ZINC000537638428 324093676 /nfs/dbraw/zinc/09/36/76/324093676.db2.gz ONKNLUHRIZLTLE-UELRPHRMSA-N 0 3 247.407 3.527 20 0 BHADHN C/C(=C/c1ccccc1)CN1CCSC[C@@H]1C ZINC000537638429 324093811 /nfs/dbraw/zinc/09/38/11/324093811.db2.gz ONKNLUHRIZLTLE-ZVHGMHCTSA-N 0 3 247.407 3.527 20 0 BHADHN CCCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000537683930 324095732 /nfs/dbraw/zinc/09/57/32/324095732.db2.gz NRLFUDXXCGXZAV-GHMZBOCLSA-N 0 3 221.319 3.543 20 0 BHADHN CCCN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000537683932 324095976 /nfs/dbraw/zinc/09/59/76/324095976.db2.gz NRLFUDXXCGXZAV-MNOVXSKESA-N 0 3 221.319 3.543 20 0 BHADHN CCCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000537683933 324095473 /nfs/dbraw/zinc/09/54/73/324095473.db2.gz NRLFUDXXCGXZAV-QWRGUYRKSA-N 0 3 221.319 3.543 20 0 BHADHN CCCN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000537683934 324095996 /nfs/dbraw/zinc/09/59/96/324095996.db2.gz NRLFUDXXCGXZAV-WDEREUQCSA-N 0 3 221.319 3.543 20 0 BHADHN CN(CCC1CC1)Cc1ccc(F)c(Cl)c1 ZINC000537695247 324097584 /nfs/dbraw/zinc/09/75/84/324097584.db2.gz HAPCPLNHVFZJQL-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CC[C@@H]1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000537711109 324098675 /nfs/dbraw/zinc/09/86/75/324098675.db2.gz UQDJXYADXFYQSS-BZPMIXESSA-N 0 3 233.355 3.635 20 0 BHADHN CC[C@@H]1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000537711115 324098930 /nfs/dbraw/zinc/09/89/30/324098930.db2.gz UQDJXYADXFYQSS-OUCADQQQSA-N 0 3 233.355 3.635 20 0 BHADHN CC[C@@H]1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000537711117 324098663 /nfs/dbraw/zinc/09/86/63/324098663.db2.gz UQDJXYADXFYQSS-SCRDCRAPSA-N 0 3 233.355 3.635 20 0 BHADHN CC[C@@H]1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000537711119 324098770 /nfs/dbraw/zinc/09/87/70/324098770.db2.gz UQDJXYADXFYQSS-YRGRVCCFSA-N 0 3 233.355 3.635 20 0 BHADHN CC[C@@H]1CC[C@H](C)N1Cc1cccc(F)c1F ZINC000537857468 324105357 /nfs/dbraw/zinc/10/53/57/324105357.db2.gz RUXVTKQVQGVNAS-CMPLNLGQSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@H]1CC[C@H](C)N1Cc1cccc(F)c1F ZINC000537857476 324105475 /nfs/dbraw/zinc/10/54/75/324105475.db2.gz RUXVTKQVQGVNAS-JQWIXIFHSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@H]1CC[C@@H](C)N1Cc1cccc(F)c1F ZINC000537857477 324105791 /nfs/dbraw/zinc/10/57/91/324105791.db2.gz RUXVTKQVQGVNAS-PWSUYJOCSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@@H]1CC[C@@H](C)N1Cc1cccc(F)c1F ZINC000537857478 324105274 /nfs/dbraw/zinc/10/52/74/324105274.db2.gz RUXVTKQVQGVNAS-ZYHUDNBSSA-N 0 3 239.309 3.728 20 0 BHADHN CCc1ccc([C@@H](C)NCC2(C(C)C)CC2)o1 ZINC000537946828 388654863 /nfs/dbraw/zinc/65/48/63/388654863.db2.gz VSCPWKAONOPVAS-GFCCVEGCSA-N 0 3 235.371 3.929 20 0 BHADHN CCc1ccc([C@H](C)NCC2(C(C)C)CC2)o1 ZINC000537946829 388655338 /nfs/dbraw/zinc/65/53/38/388655338.db2.gz VSCPWKAONOPVAS-LBPRGKRZSA-N 0 3 235.371 3.929 20 0 BHADHN Cc1ccc([C@@H](C)NCCCc2cccs2)o1 ZINC000537961693 388656198 /nfs/dbraw/zinc/65/61/98/388656198.db2.gz UEEXLDAMOUHMMN-GFCCVEGCSA-N 0 3 249.379 3.933 20 0 BHADHN Cc1ccc([C@H](C)NCCCc2cccs2)o1 ZINC000537961694 388656413 /nfs/dbraw/zinc/65/64/13/388656413.db2.gz UEEXLDAMOUHMMN-LBPRGKRZSA-N 0 3 249.379 3.933 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccco1 ZINC000537985058 388658400 /nfs/dbraw/zinc/65/84/00/388658400.db2.gz QYUMDPHLZDKKCC-AEGPPILISA-N 0 3 241.334 3.561 20 0 BHADHN C[C@H](N[C@H]1C[C@H]1Cc1ccccc1)c1ccco1 ZINC000537985059 324604232 /nfs/dbraw/zinc/60/42/32/324604232.db2.gz QYUMDPHLZDKKCC-CFVMTHIKSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1Cc1ccccc1)c1ccco1 ZINC000537985060 324604199 /nfs/dbraw/zinc/60/41/99/324604199.db2.gz QYUMDPHLZDKKCC-NWANDNLSSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@H](N[C@H]1C[C@@H]1Cc1ccccc1)c1ccco1 ZINC000537985061 388657856 /nfs/dbraw/zinc/65/78/56/388657856.db2.gz QYUMDPHLZDKKCC-QEJZJMRPSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1ccco1 ZINC000537987196 388674359 /nfs/dbraw/zinc/67/43/59/388674359.db2.gz NXGJEVRKEGZRQO-FPMFFAJLSA-N 0 3 233.355 3.899 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1ccco1 ZINC000537987197 324647896 /nfs/dbraw/zinc/64/78/96/324647896.db2.gz NXGJEVRKEGZRQO-IACUBPJLSA-N 0 3 233.355 3.899 20 0 BHADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1ccco1 ZINC000537987198 388674069 /nfs/dbraw/zinc/67/40/69/388674069.db2.gz NXGJEVRKEGZRQO-UBHSHLNASA-N 0 3 233.355 3.899 20 0 BHADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1ccco1 ZINC000537987199 388674262 /nfs/dbraw/zinc/67/42/62/388674262.db2.gz NXGJEVRKEGZRQO-YUTCNCBUSA-N 0 3 233.355 3.899 20 0 BHADHN CCc1ccc(CNCCc2sccc2C)o1 ZINC000538003205 388675944 /nfs/dbraw/zinc/67/59/44/388675944.db2.gz WSVUSAGVYXGRSX-UHFFFAOYSA-N 0 3 249.379 3.544 20 0 BHADHN Fc1cccc(C=C2CCN(CC3CC3)CC2)c1 ZINC000538096727 388678621 /nfs/dbraw/zinc/67/86/21/388678621.db2.gz PITOUSDFXPOLCB-UHFFFAOYSA-N 0 3 245.341 3.715 20 0 BHADHN CC[C@H](NCC=C(C)C)c1ccc(F)cc1F ZINC000538187357 388680565 /nfs/dbraw/zinc/68/05/65/388680565.db2.gz HPAXDCDACUJCJP-AWEZNQCLSA-N 0 3 239.309 3.972 20 0 BHADHN CC[C@@H](NCC=C(C)C)c1ccc(F)cc1F ZINC000538187375 388680049 /nfs/dbraw/zinc/68/00/49/388680049.db2.gz HPAXDCDACUJCJP-CQSZACIVSA-N 0 3 239.309 3.972 20 0 BHADHN CCCCNC1(c2ccc(F)cc2F)CCC1 ZINC000538257863 324664491 /nfs/dbraw/zinc/66/44/91/324664491.db2.gz PTFZDEVUAIJMQE-UHFFFAOYSA-N 0 3 239.309 3.734 20 0 BHADHN CC(C)[C@@H]1CCN1Cc1cc2ccccc2o1 ZINC000538299648 388683108 /nfs/dbraw/zinc/68/31/08/388683108.db2.gz LVWKRGGYOZHVLN-AWEZNQCLSA-N 0 3 229.323 3.663 20 0 BHADHN CC(C)[C@H]1CCN1Cc1cc2ccccc2o1 ZINC000538299649 388683414 /nfs/dbraw/zinc/68/34/14/388683414.db2.gz LVWKRGGYOZHVLN-CQSZACIVSA-N 0 3 229.323 3.663 20 0 BHADHN CCCOc1cccc(CN2CC[C@H]2C(C)C)c1 ZINC000538299969 388683590 /nfs/dbraw/zinc/68/35/90/388683590.db2.gz CNJHAPCCSMYBPL-INIZCTEOSA-N 0 3 247.382 3.706 20 0 BHADHN CCCOc1cccc(CN2CC[C@@H]2C(C)C)c1 ZINC000538299970 388683781 /nfs/dbraw/zinc/68/37/81/388683781.db2.gz CNJHAPCCSMYBPL-MRXNPFEDSA-N 0 3 247.382 3.706 20 0 BHADHN CCCOc1ccc(CN2CC[C@H]2C(C)C)cc1 ZINC000538301514 388683251 /nfs/dbraw/zinc/68/32/51/388683251.db2.gz OVQAJCJEYGISMA-INIZCTEOSA-N 0 3 247.382 3.706 20 0 BHADHN CCCOc1ccc(CN2CC[C@@H]2C(C)C)cc1 ZINC000538301517 388683281 /nfs/dbraw/zinc/68/32/81/388683281.db2.gz OVQAJCJEYGISMA-MRXNPFEDSA-N 0 3 247.382 3.706 20 0 BHADHN CCC[C@@H](CNCc1ccco1)c1ccccc1 ZINC000538306509 388682967 /nfs/dbraw/zinc/68/29/67/388682967.db2.gz PSNOZACWJDZNPL-HNNXBMFYSA-N 0 3 243.350 3.953 20 0 BHADHN CCC[C@H](CNCc1ccco1)c1ccccc1 ZINC000538306512 388683501 /nfs/dbraw/zinc/68/35/01/388683501.db2.gz PSNOZACWJDZNPL-OAHLLOKOSA-N 0 3 243.350 3.953 20 0 BHADHN CCC[C@@H](C)CN(C)Cc1ccccc1OC ZINC000538308071 388684553 /nfs/dbraw/zinc/68/45/53/388684553.db2.gz PANKIUKNFRLTEP-CYBMUJFWSA-N 0 3 235.371 3.563 20 0 BHADHN CCC[C@H](C)CN(C)Cc1ccccc1OC ZINC000538308074 388683931 /nfs/dbraw/zinc/68/39/31/388683931.db2.gz PANKIUKNFRLTEP-ZDUSSCGKSA-N 0 3 235.371 3.563 20 0 BHADHN CCC[C@H](NCc1ccon1)C1CCCCC1 ZINC000538389305 388685989 /nfs/dbraw/zinc/68/59/89/388685989.db2.gz DHAVQWOUULPTFV-AWEZNQCLSA-N 0 3 236.359 3.513 20 0 BHADHN CCC[C@@H](NCc1ccon1)C1CCCCC1 ZINC000538389311 324674830 /nfs/dbraw/zinc/67/48/30/324674830.db2.gz DHAVQWOUULPTFV-CQSZACIVSA-N 0 3 236.359 3.513 20 0 BHADHN CC(C)CC[C@@H](NCc1ccno1)C(C)(C)C ZINC000538390645 388686151 /nfs/dbraw/zinc/68/61/51/388686151.db2.gz TYGXNRAFZAWBLX-CYBMUJFWSA-N 0 3 238.375 3.615 20 0 BHADHN CC(C)CC[C@H](NCc1ccno1)C(C)(C)C ZINC000538390646 388686075 /nfs/dbraw/zinc/68/60/75/388686075.db2.gz TYGXNRAFZAWBLX-ZDUSSCGKSA-N 0 3 238.375 3.615 20 0 BHADHN CC(C)Cc1ccc([C@H](NCCF)C2CC2)cc1 ZINC000538390769 384231624 /nfs/dbraw/zinc/23/16/24/384231624.db2.gz WKBIVRGIVPGAQD-INIZCTEOSA-N 0 3 249.373 3.895 20 0 BHADHN CC(C)Cc1ccc([C@@H](NCCF)C2CC2)cc1 ZINC000538390770 384231881 /nfs/dbraw/zinc/23/18/81/384231881.db2.gz WKBIVRGIVPGAQD-MRXNPFEDSA-N 0 3 249.373 3.895 20 0 BHADHN CCC[C@H](NCc1ccno1)C1CCCCC1 ZINC000538393378 324674432 /nfs/dbraw/zinc/67/44/32/324674432.db2.gz WRDNSCFWUBYTOL-AWEZNQCLSA-N 0 3 236.359 3.513 20 0 BHADHN CCC[C@@H](NCc1ccno1)C1CCCCC1 ZINC000538393379 388686330 /nfs/dbraw/zinc/68/63/30/388686330.db2.gz WRDNSCFWUBYTOL-CQSZACIVSA-N 0 3 236.359 3.513 20 0 BHADHN CC[C@@H](C)Oc1cc(C)ccc1CNC(C)C ZINC000538396058 388686209 /nfs/dbraw/zinc/68/62/09/388686209.db2.gz OBHYYZPTGVYWOL-CYBMUJFWSA-N 0 3 235.371 3.670 20 0 BHADHN CC[C@H](C)Oc1cc(C)ccc1CNC(C)C ZINC000538396059 388686140 /nfs/dbraw/zinc/68/61/40/388686140.db2.gz OBHYYZPTGVYWOL-ZDUSSCGKSA-N 0 3 235.371 3.670 20 0 BHADHN Cc1ccoc1CNC[C@H](C)c1ccc(C)cc1 ZINC000538419315 324682510 /nfs/dbraw/zinc/68/25/10/324682510.db2.gz IUMYKIHMJPJQLV-AWEZNQCLSA-N 0 3 243.350 3.790 20 0 BHADHN Cc1ccoc1CNC[C@@H](C)c1ccc(C)cc1 ZINC000538419318 388689855 /nfs/dbraw/zinc/68/98/55/388689855.db2.gz IUMYKIHMJPJQLV-CQSZACIVSA-N 0 3 243.350 3.790 20 0 BHADHN COCC1(N[C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000538551011 388702074 /nfs/dbraw/zinc/70/20/74/388702074.db2.gz IGFHYYODPBCGNY-CYBMUJFWSA-N 0 3 247.382 3.640 20 0 BHADHN COCC1(N[C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000538551012 324715964 /nfs/dbraw/zinc/71/59/64/324715964.db2.gz IGFHYYODPBCGNY-ZDUSSCGKSA-N 0 3 247.382 3.640 20 0 BHADHN Fc1ccccc1C1(NC2CCCCC2)CC1 ZINC000538551690 388701723 /nfs/dbraw/zinc/70/17/23/388701723.db2.gz KMYDFHQCNKPKST-UHFFFAOYSA-N 0 3 233.330 3.737 20 0 BHADHN C[C@@H](NC1(C2CC2)CC1)c1ccc(F)cc1F ZINC000538553722 324715528 /nfs/dbraw/zinc/71/55/28/324715528.db2.gz LAGVPOVOPYJQLT-SECBINFHSA-N 0 3 237.293 3.558 20 0 BHADHN C[C@H](NC1(C2CC2)CC1)c1ccc(F)cc1F ZINC000538553723 388701932 /nfs/dbraw/zinc/70/19/32/388701932.db2.gz LAGVPOVOPYJQLT-VIFPVBQESA-N 0 3 237.293 3.558 20 0 BHADHN CCC[C@@H](CC)NC1(c2ccccc2F)CC1 ZINC000538554286 388701497 /nfs/dbraw/zinc/70/14/97/388701497.db2.gz RXTDNEDNWKZMSP-GFCCVEGCSA-N 0 3 235.346 3.983 20 0 BHADHN CCC[C@H](CC)NC1(c2ccccc2F)CC1 ZINC000538554287 324715897 /nfs/dbraw/zinc/71/58/97/324715897.db2.gz RXTDNEDNWKZMSP-LBPRGKRZSA-N 0 3 235.346 3.983 20 0 BHADHN C[C@@H](NC1(C2CC2)CC1)c1cc(F)ccc1F ZINC000538554866 324717163 /nfs/dbraw/zinc/71/71/63/324717163.db2.gz YEFVJZTYHDOCAC-SECBINFHSA-N 0 3 237.293 3.558 20 0 BHADHN C[C@H](NC1(C2CC2)CC1)c1cc(F)ccc1F ZINC000538554867 324716654 /nfs/dbraw/zinc/71/66/54/324716654.db2.gz YEFVJZTYHDOCAC-VIFPVBQESA-N 0 3 237.293 3.558 20 0 BHADHN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cccc([O-])c1 ZINC000538719943 388710626 /nfs/dbraw/zinc/71/06/26/388710626.db2.gz URNLQPOGTKOAJJ-BBRMVZONSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000538719943 388710624 /nfs/dbraw/zinc/71/06/24/388710624.db2.gz URNLQPOGTKOAJJ-BBRMVZONSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cccc([O-])c1 ZINC000538719944 388710505 /nfs/dbraw/zinc/71/05/05/388710505.db2.gz URNLQPOGTKOAJJ-CJNGLKHVSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000538719944 388710502 /nfs/dbraw/zinc/71/05/02/388710502.db2.gz URNLQPOGTKOAJJ-CJNGLKHVSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cccc([O-])c1 ZINC000538719945 388710303 /nfs/dbraw/zinc/71/03/03/388710303.db2.gz URNLQPOGTKOAJJ-CZUORRHYSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000538719945 388710301 /nfs/dbraw/zinc/71/03/01/388710301.db2.gz URNLQPOGTKOAJJ-CZUORRHYSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cccc([O-])c1 ZINC000538719946 388710482 /nfs/dbraw/zinc/71/04/82/388710482.db2.gz URNLQPOGTKOAJJ-XJKSGUPXSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000538719946 388710479 /nfs/dbraw/zinc/71/04/79/388710479.db2.gz URNLQPOGTKOAJJ-XJKSGUPXSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@H](C)CN(CC)Cc1ccc(Cl)o1 ZINC000538725059 388711565 /nfs/dbraw/zinc/71/15/65/388711565.db2.gz RVLBPDCEWZQYKW-JTQLQIEISA-N 0 3 229.751 3.801 20 0 BHADHN CC[C@@H](C)CN(CC)Cc1ccc(Cl)o1 ZINC000538725060 388711670 /nfs/dbraw/zinc/71/16/70/388711670.db2.gz RVLBPDCEWZQYKW-SNVBAGLBSA-N 0 3 229.751 3.801 20 0 BHADHN c1csc(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000538725314 388712226 /nfs/dbraw/zinc/71/22/26/388712226.db2.gz NRXPOMAGMNEADX-AWEZNQCLSA-N 0 3 243.375 3.565 20 0 BHADHN c1csc(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000538725315 388712392 /nfs/dbraw/zinc/71/23/92/388712392.db2.gz NRXPOMAGMNEADX-CQSZACIVSA-N 0 3 243.375 3.565 20 0 BHADHN CCCOc1cccc(CN2CC=C(C)CC2)c1 ZINC000538727390 388713802 /nfs/dbraw/zinc/71/38/02/388713802.db2.gz NTCSMXBRWYDAJD-UHFFFAOYSA-N 0 3 245.366 3.627 20 0 BHADHN CC[C@@H]1C[C@@H](C)CN1Cc1c(F)cccc1F ZINC000538728189 388713852 /nfs/dbraw/zinc/71/38/52/388713852.db2.gz CJOIPBUWSBLXTJ-GHMZBOCLSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1C[C@@H](C)CN1Cc1c(F)cccc1F ZINC000538728190 388713032 /nfs/dbraw/zinc/71/30/32/388713032.db2.gz CJOIPBUWSBLXTJ-MNOVXSKESA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1C[C@H](C)CN1Cc1c(F)cccc1F ZINC000538728191 388713157 /nfs/dbraw/zinc/71/31/57/388713157.db2.gz CJOIPBUWSBLXTJ-QWRGUYRKSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1C[C@H](C)CN1Cc1c(F)cccc1F ZINC000538728192 388714045 /nfs/dbraw/zinc/71/40/45/388714045.db2.gz CJOIPBUWSBLXTJ-WDEREUQCSA-N 0 3 239.309 3.585 20 0 BHADHN CCN(Cc1cccc(Cl)c1F)CC1CC1 ZINC000538729992 388713151 /nfs/dbraw/zinc/71/31/51/388713151.db2.gz VDWYCPPGJWARFV-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CC(C)C1CCN(Cc2ccsc2)CC1 ZINC000538733792 324745100 /nfs/dbraw/zinc/74/51/00/324745100.db2.gz YKRYEVALPPQTCE-UHFFFAOYSA-N 0 3 223.385 3.616 20 0 BHADHN C/C(=C/c1ccccc1)CN1CCC12CCC2 ZINC000538735136 388714965 /nfs/dbraw/zinc/71/49/65/388714965.db2.gz APURSZUMYZZDMA-OWBHPGMISA-N 0 3 227.351 3.718 20 0 BHADHN C/C(=C\c1ccccc1)CN1CCC12CCC2 ZINC000538735137 388715256 /nfs/dbraw/zinc/71/52/56/388715256.db2.gz APURSZUMYZZDMA-WYMLVPIESA-N 0 3 227.351 3.718 20 0 BHADHN CCCOc1ccc(CN2CCC23CCC3)cc1 ZINC000538735425 388714432 /nfs/dbraw/zinc/71/44/32/388714432.db2.gz WMDCGBRTESQQGI-UHFFFAOYSA-N 0 3 245.366 3.604 20 0 BHADHN CC1(C)CCN1Cc1ccc(-c2ccccc2)o1 ZINC000538736064 388714882 /nfs/dbraw/zinc/71/48/82/388714882.db2.gz WVQYCEHAVJTTJK-UHFFFAOYSA-N 0 3 241.334 3.931 20 0 BHADHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CC1CC1 ZINC000538785996 388723945 /nfs/dbraw/zinc/72/39/45/388723945.db2.gz WFOYWUVTUYXXBY-GHMZBOCLSA-N 0 3 233.330 3.543 20 0 BHADHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CC1CC1 ZINC000538785997 388724104 /nfs/dbraw/zinc/72/41/04/388724104.db2.gz WFOYWUVTUYXXBY-MNOVXSKESA-N 0 3 233.330 3.543 20 0 BHADHN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CC1CC1 ZINC000538785998 388724092 /nfs/dbraw/zinc/72/40/92/388724092.db2.gz WFOYWUVTUYXXBY-QWRGUYRKSA-N 0 3 233.330 3.543 20 0 BHADHN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1CC1CC1 ZINC000538785999 388724136 /nfs/dbraw/zinc/72/41/36/388724136.db2.gz WFOYWUVTUYXXBY-WDEREUQCSA-N 0 3 233.330 3.543 20 0 BHADHN CC(C)(C)C1=CCN(Cc2cccc(O)c2)CC1 ZINC000538799587 388727370 /nfs/dbraw/zinc/72/73/70/388727370.db2.gz NBPDNFZBOOWRPU-UHFFFAOYSA-N 0 3 245.366 3.570 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1ccc(Cl)s1 ZINC000538807991 388728420 /nfs/dbraw/zinc/72/84/20/388728420.db2.gz POXMAGHSVOCAOC-DTORHVGOSA-N 0 3 229.776 3.774 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1ccc(Cl)s1 ZINC000538807992 388728285 /nfs/dbraw/zinc/72/82/85/388728285.db2.gz POXMAGHSVOCAOC-IUCAKERBSA-N 0 3 229.776 3.774 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1ccc(Cl)s1 ZINC000538807993 324778236 /nfs/dbraw/zinc/77/82/36/324778236.db2.gz POXMAGHSVOCAOC-RKDXNWHRSA-N 0 3 229.776 3.774 20 0 BHADHN CCCC[C@@H](CC)CCNCc1cc(C)no1 ZINC000538850373 388734104 /nfs/dbraw/zinc/73/41/04/388734104.db2.gz CWWZUZZGXDTGTR-CYBMUJFWSA-N 0 3 238.375 3.679 20 0 BHADHN CCCC[C@H](CC)CCNCc1cc(C)no1 ZINC000538850374 324794531 /nfs/dbraw/zinc/79/45/31/324794531.db2.gz CWWZUZZGXDTGTR-ZDUSSCGKSA-N 0 3 238.375 3.679 20 0 BHADHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(F)c(F)c1 ZINC000538955639 388741866 /nfs/dbraw/zinc/74/18/66/388741866.db2.gz UBNVGVSXRZCABN-CMPLNLGQSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@H]1CC[C@H](C)N1Cc1ccc(F)c(F)c1 ZINC000538955641 388742266 /nfs/dbraw/zinc/74/22/66/388742266.db2.gz UBNVGVSXRZCABN-JQWIXIFHSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(F)c(F)c1 ZINC000538955642 388741810 /nfs/dbraw/zinc/74/18/10/388741810.db2.gz UBNVGVSXRZCABN-PWSUYJOCSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(F)c(F)c1 ZINC000538955643 388742630 /nfs/dbraw/zinc/74/26/30/388742630.db2.gz UBNVGVSXRZCABN-ZYHUDNBSSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@H]1CC[C@H](C)N1Cc1ccc(F)cc1F ZINC000538957277 388742219 /nfs/dbraw/zinc/74/22/19/388742219.db2.gz USSJPJKUJMULOF-GWCFXTLKSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(F)cc1F ZINC000538957278 388741717 /nfs/dbraw/zinc/74/17/17/388741717.db2.gz USSJPJKUJMULOF-GXFFZTMASA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(F)cc1F ZINC000538957279 388742026 /nfs/dbraw/zinc/74/20/26/388742026.db2.gz USSJPJKUJMULOF-MFKMUULPSA-N 0 3 239.309 3.728 20 0 BHADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(F)cc1F ZINC000538957280 388742747 /nfs/dbraw/zinc/74/27/47/388742747.db2.gz USSJPJKUJMULOF-ZWNOBZJWSA-N 0 3 239.309 3.728 20 0 BHADHN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccoc1 ZINC000539044156 324821151 /nfs/dbraw/zinc/82/11/51/324821151.db2.gz JYAAUHAXDSLXHR-BLLLJJGKSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccoc1 ZINC000539044157 388745412 /nfs/dbraw/zinc/74/54/12/388745412.db2.gz JYAAUHAXDSLXHR-LRDDRELGSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccoc1 ZINC000539044158 388745608 /nfs/dbraw/zinc/74/56/08/388745608.db2.gz JYAAUHAXDSLXHR-MLGOLLRUSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccoc1 ZINC000539044159 388745593 /nfs/dbraw/zinc/74/55/93/388745593.db2.gz JYAAUHAXDSLXHR-WBMJQRKESA-N 0 3 241.334 3.926 20 0 BHADHN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1ccoc1 ZINC000539076056 324823538 /nfs/dbraw/zinc/82/35/38/324823538.db2.gz JFPDIJAAJQZNNR-BLLLJJGKSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccoc1 ZINC000539076058 388747322 /nfs/dbraw/zinc/74/73/22/388747322.db2.gz JFPDIJAAJQZNNR-LRDDRELGSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1cccc2c1CC[C@H]2N[C@H](C)c1ccoc1 ZINC000539076060 388747079 /nfs/dbraw/zinc/74/70/79/388747079.db2.gz JFPDIJAAJQZNNR-MLGOLLRUSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1ccoc1 ZINC000539076062 324823767 /nfs/dbraw/zinc/82/37/67/324823767.db2.gz JFPDIJAAJQZNNR-WBMJQRKESA-N 0 3 241.334 3.926 20 0 BHADHN C[C@H](N[C@H]1c2ccccc2C[C@H]1C)c1ccoc1 ZINC000539082221 388747311 /nfs/dbraw/zinc/74/73/11/388747311.db2.gz CLUKGNCAERJNOG-BFQNTYOBSA-N 0 3 241.334 3.864 20 0 BHADHN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1C)c1ccoc1 ZINC000539082222 324823448 /nfs/dbraw/zinc/82/34/48/324823448.db2.gz CLUKGNCAERJNOG-MKBNYLNASA-N 0 3 241.334 3.864 20 0 BHADHN C[C@H](N[C@H]1c2ccccc2C[C@@H]1C)c1ccoc1 ZINC000539082223 388747054 /nfs/dbraw/zinc/74/70/54/388747054.db2.gz CLUKGNCAERJNOG-MQIPJXDCSA-N 0 3 241.334 3.864 20 0 BHADHN C[C@H](N[C@@H]1c2ccccc2C[C@H]1C)c1ccoc1 ZINC000539082224 388747185 /nfs/dbraw/zinc/74/71/85/388747185.db2.gz CLUKGNCAERJNOG-WQGACYEGSA-N 0 3 241.334 3.864 20 0 BHADHN CC(C)(N[C@H]1C=CCCC1)c1cccc(F)c1 ZINC000539289427 388752041 /nfs/dbraw/zinc/75/20/41/388752041.db2.gz NOIXLPCVUHDITK-AWEZNQCLSA-N 0 3 233.330 3.759 20 0 BHADHN CC(C)(N[C@@H]1C=CCCC1)c1cccc(F)c1 ZINC000539289428 388752672 /nfs/dbraw/zinc/75/26/72/388752672.db2.gz NOIXLPCVUHDITK-CQSZACIVSA-N 0 3 233.330 3.759 20 0 BHADHN FCCN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000539314997 388752013 /nfs/dbraw/zinc/75/20/13/388752013.db2.gz RSRULVLMCFGAOU-AWEZNQCLSA-N 0 3 239.309 3.616 20 0 BHADHN FCCN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000539314998 324831623 /nfs/dbraw/zinc/83/16/23/324831623.db2.gz RSRULVLMCFGAOU-CQSZACIVSA-N 0 3 239.309 3.616 20 0 BHADHN CC(C)(C)CN(Cc1ccno1)CC(C)(C)C ZINC000539318691 324831688 /nfs/dbraw/zinc/83/16/88/324831688.db2.gz JDOSCMYFNRAMAI-UHFFFAOYSA-N 0 3 238.375 3.569 20 0 BHADHN FCCN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000539333324 388753337 /nfs/dbraw/zinc/75/33/37/388753337.db2.gz XGLIUIYHQYRVJF-AWEZNQCLSA-N 0 3 239.309 3.616 20 0 BHADHN FCCN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000539333325 388754147 /nfs/dbraw/zinc/75/41/47/388754147.db2.gz XGLIUIYHQYRVJF-CQSZACIVSA-N 0 3 239.309 3.616 20 0 BHADHN CC[C@H](NCC=C(C)C)c1cc(F)ccc1F ZINC000539347566 388755566 /nfs/dbraw/zinc/75/55/66/388755566.db2.gz VDKICJXYMASPSW-AWEZNQCLSA-N 0 3 239.309 3.972 20 0 BHADHN CC[C@@H](NCC=C(C)C)c1cc(F)ccc1F ZINC000539347567 388755018 /nfs/dbraw/zinc/75/50/18/388755018.db2.gz VDKICJXYMASPSW-CQSZACIVSA-N 0 3 239.309 3.972 20 0 BHADHN CC(C)[C@H]1CCN1C/C=C\c1ccc(F)cc1 ZINC000539402305 388757048 /nfs/dbraw/zinc/75/70/48/388757048.db2.gz GHRYKYRZBZOBRK-ABCZVMIZSA-N 0 3 233.330 3.569 20 0 BHADHN CC(C)[C@@H]1CCN1C/C=C/c1ccc(F)cc1 ZINC000539402306 388756659 /nfs/dbraw/zinc/75/66/59/388756659.db2.gz GHRYKYRZBZOBRK-BWPKMQGJSA-N 0 3 233.330 3.569 20 0 BHADHN CC(C)[C@@H]1CCN1C/C=C\c1ccc(F)cc1 ZINC000539402307 388757138 /nfs/dbraw/zinc/75/71/38/388757138.db2.gz GHRYKYRZBZOBRK-JZIMQPMSSA-N 0 3 233.330 3.569 20 0 BHADHN CC(C)[C@H]1CCN1C/C=C/c1ccc(F)cc1 ZINC000539402308 388757454 /nfs/dbraw/zinc/75/74/54/388757454.db2.gz GHRYKYRZBZOBRK-NHZBNJEXSA-N 0 3 233.330 3.569 20 0 BHADHN CC(C)Oc1cccc(CN2CC[C@H]2C(C)C)c1 ZINC000539403131 388757355 /nfs/dbraw/zinc/75/73/55/388757355.db2.gz JKMRMAIOBSMNRY-INIZCTEOSA-N 0 3 247.382 3.704 20 0 BHADHN CC(C)Oc1cccc(CN2CC[C@@H]2C(C)C)c1 ZINC000539403132 388756363 /nfs/dbraw/zinc/75/63/63/388756363.db2.gz JKMRMAIOBSMNRY-MRXNPFEDSA-N 0 3 247.382 3.704 20 0 BHADHN CCC[C@@H](C)CN(C)Cc1cc(Cl)cn1C ZINC000539405446 388757290 /nfs/dbraw/zinc/75/72/90/388757290.db2.gz YTXVEGILBCMMAR-LLVKDONJSA-N 0 3 242.794 3.547 20 0 BHADHN CCC[C@H](C)CN(C)Cc1cc(Cl)cn1C ZINC000539405447 388757441 /nfs/dbraw/zinc/75/74/41/388757441.db2.gz YTXVEGILBCMMAR-NSHDSACASA-N 0 3 242.794 3.547 20 0 BHADHN Cc1ccoc1CNCCc1cc(C)cc(C)c1 ZINC000539520207 388763236 /nfs/dbraw/zinc/76/32/36/388763236.db2.gz YWGJGMISJAPVGC-UHFFFAOYSA-N 0 3 243.350 3.537 20 0 BHADHN CC(C)[C@H](NC1CC1)c1cc2ccccc2o1 ZINC000539555643 388764933 /nfs/dbraw/zinc/76/49/33/388764933.db2.gz ZWWFIBJTDOLXMH-HNNXBMFYSA-N 0 3 229.323 3.882 20 0 BHADHN CC(C)[C@@H](NC1CC1)c1cc2ccccc2o1 ZINC000539555644 388765017 /nfs/dbraw/zinc/76/50/17/388765017.db2.gz ZWWFIBJTDOLXMH-OAHLLOKOSA-N 0 3 229.323 3.882 20 0 BHADHN CC[C@@H](C)[C@H](C)NC1(c2ccccc2F)CC1 ZINC000539653560 324850300 /nfs/dbraw/zinc/85/03/00/324850300.db2.gz UNHXVXIBQFPVMJ-NEPJUHHUSA-N 0 3 235.346 3.839 20 0 BHADHN CC[C@H](C)[C@@H](C)NC1(c2ccccc2F)CC1 ZINC000539653563 388769647 /nfs/dbraw/zinc/76/96/47/388769647.db2.gz UNHXVXIBQFPVMJ-NWDGAFQWSA-N 0 3 235.346 3.839 20 0 BHADHN CC[C@H](C)[C@H](C)NC1(c2ccccc2F)CC1 ZINC000539653564 324850417 /nfs/dbraw/zinc/85/04/17/324850417.db2.gz UNHXVXIBQFPVMJ-RYUDHWBXSA-N 0 3 235.346 3.839 20 0 BHADHN CC[C@@H](C)[C@@H](C)NC1(c2ccccc2F)CC1 ZINC000539653565 388769993 /nfs/dbraw/zinc/76/99/93/388769993.db2.gz UNHXVXIBQFPVMJ-VXGBXAGGSA-N 0 3 235.346 3.839 20 0 BHADHN C[C@@H](NC1(C2CC2)CC1)c1cc(F)cc(F)c1 ZINC000539656639 388769909 /nfs/dbraw/zinc/76/99/09/388769909.db2.gz FWZCPGPDZQXIQR-SECBINFHSA-N 0 3 237.293 3.558 20 0 BHADHN C[C@H](NC1(C2CC2)CC1)c1cc(F)cc(F)c1 ZINC000539656640 324851218 /nfs/dbraw/zinc/85/12/18/324851218.db2.gz FWZCPGPDZQXIQR-VIFPVBQESA-N 0 3 237.293 3.558 20 0 BHADHN C[C@@H](NC1(C2CC2)CC1)c1cccc(F)c1F ZINC000539656874 324851068 /nfs/dbraw/zinc/85/10/68/324851068.db2.gz OCPWTVXSBZIYCY-SECBINFHSA-N 0 3 237.293 3.558 20 0 BHADHN C[C@H](NC1(C2CC2)CC1)c1cccc(F)c1F ZINC000539656875 388769561 /nfs/dbraw/zinc/76/95/61/388769561.db2.gz OCPWTVXSBZIYCY-VIFPVBQESA-N 0 3 237.293 3.558 20 0 BHADHN COc1cc(C)ccc1[C@@H](C)NC1(C2CC2)CC1 ZINC000539657319 388770080 /nfs/dbraw/zinc/77/00/80/388770080.db2.gz YJEUVBDHYGCEQK-GFCCVEGCSA-N 0 3 245.366 3.597 20 0 BHADHN COc1cc(C)ccc1[C@H](C)NC1(C2CC2)CC1 ZINC000539657320 324850905 /nfs/dbraw/zinc/85/09/05/324850905.db2.gz YJEUVBDHYGCEQK-LBPRGKRZSA-N 0 3 245.366 3.597 20 0 BHADHN C[C@@H](c1nc2ccccc2o1)N1C2CCC1CC2 ZINC000539790872 324859236 /nfs/dbraw/zinc/85/92/36/324859236.db2.gz ZJRAIBNQTFDWTA-UNXYVOJBSA-N 0 3 242.322 3.516 20 0 BHADHN C[C@H](c1nc2ccccc2o1)N1C2CCC1CC2 ZINC000539790873 388775740 /nfs/dbraw/zinc/77/57/40/388775740.db2.gz ZJRAIBNQTFDWTA-VOMCLLRMSA-N 0 3 242.322 3.516 20 0 BHADHN FC(F)(F)C1=CCN(C[C@@H]2CC=CCC2)CC1 ZINC000539819993 388779222 /nfs/dbraw/zinc/77/92/22/388779222.db2.gz VPUTUNZWTMHMHE-LLVKDONJSA-N 0 3 245.288 3.537 20 0 BHADHN FC(F)(F)C1=CCN(C[C@H]2CC=CCC2)CC1 ZINC000539819994 388779436 /nfs/dbraw/zinc/77/94/36/388779436.db2.gz VPUTUNZWTMHMHE-NSHDSACASA-N 0 3 245.288 3.537 20 0 BHADHN CCN(Cc1cccn1CCC(C)C)C1CCC1 ZINC000539820007 388780364 /nfs/dbraw/zinc/78/03/64/388780364.db2.gz XNBJTXMSRSSSDF-UHFFFAOYSA-N 0 3 248.414 3.909 20 0 BHADHN C/C(=C/c1ccccc1)CN(C)Cc1ccc[nH]1 ZINC000539825221 388781871 /nfs/dbraw/zinc/78/18/71/388781871.db2.gz ODWNWPWXEYZIIJ-KAMYIIQDSA-N 0 3 240.350 3.550 20 0 BHADHN C/C(=C\c1ccccc1)CN(C)Cc1ccc[nH]1 ZINC000539825224 388781198 /nfs/dbraw/zinc/78/11/98/388781198.db2.gz ODWNWPWXEYZIIJ-SDNWHVSQSA-N 0 3 240.350 3.550 20 0 BHADHN C[C@@H]1CN(Cc2cc(F)cc(F)c2)C(C)(C)C1 ZINC000539826472 388781488 /nfs/dbraw/zinc/78/14/88/388781488.db2.gz JPXNXNGBRJSVCE-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CN(Cc2cc(F)cc(F)c2)C(C)(C)C1 ZINC000539826473 388781938 /nfs/dbraw/zinc/78/19/38/388781938.db2.gz JPXNXNGBRJSVCE-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H]1[C@H](C)SCCN1C/C=C\c1ccccc1 ZINC000539827636 388782322 /nfs/dbraw/zinc/78/23/22/388782322.db2.gz ODCYVCSUMKKUAC-CHOOUNKSSA-N 0 3 247.407 3.526 20 0 BHADHN C[C@@H]1SCCN(C/C=C\c2ccccc2)[C@H]1C ZINC000539827637 388781260 /nfs/dbraw/zinc/78/12/60/388781260.db2.gz ODCYVCSUMKKUAC-GZINKLOPSA-N 0 3 247.407 3.526 20 0 BHADHN CC[C@H]1C[C@H](C)CN1Cc1cc(F)cc(F)c1 ZINC000539829026 388781051 /nfs/dbraw/zinc/78/10/51/388781051.db2.gz NDJGSFQSEDKBQY-HZMBPMFUSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1C[C@H](C)CN1Cc1cc(F)cc(F)c1 ZINC000539829027 388784020 /nfs/dbraw/zinc/78/40/20/388784020.db2.gz NDJGSFQSEDKBQY-IINYFYTJSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@@H]1C[C@@H](C)CN1Cc1cc(F)cc(F)c1 ZINC000539829029 388782720 /nfs/dbraw/zinc/78/27/20/388782720.db2.gz NDJGSFQSEDKBQY-QMTHXVAHSA-N 0 3 239.309 3.585 20 0 BHADHN CC[C@H]1C[C@@H](C)CN1Cc1cc(F)cc(F)c1 ZINC000539829030 388784343 /nfs/dbraw/zinc/78/43/43/388784343.db2.gz NDJGSFQSEDKBQY-YGRLFVJLSA-N 0 3 239.309 3.585 20 0 BHADHN Cc1ccc(CN2CCC[C@H](C(C)C)CC2)nc1 ZINC000539829238 388783958 /nfs/dbraw/zinc/78/39/58/388783958.db2.gz ZKIWXBYGEMYHQO-HNNXBMFYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN2CCC[C@@H](C(C)C)CC2)nc1 ZINC000539829241 388783853 /nfs/dbraw/zinc/78/38/53/388783853.db2.gz ZKIWXBYGEMYHQO-OAHLLOKOSA-N 0 3 246.398 3.648 20 0 BHADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(Cl)o1 ZINC000539829455 388783435 /nfs/dbraw/zinc/78/34/35/388783435.db2.gz URUHNLDNJIYVBT-NXEZZACHSA-N 0 3 227.735 3.553 20 0 BHADHN CC[C@H]1C[C@H](C)CN1Cc1ccc(Cl)o1 ZINC000539829458 388784251 /nfs/dbraw/zinc/78/42/51/388784251.db2.gz URUHNLDNJIYVBT-UWVGGRQHSA-N 0 3 227.735 3.553 20 0 BHADHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(Cl)o1 ZINC000539829461 388782815 /nfs/dbraw/zinc/78/28/15/388782815.db2.gz URUHNLDNJIYVBT-VHSXEESVSA-N 0 3 227.735 3.553 20 0 BHADHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(Cl)o1 ZINC000539829463 388784177 /nfs/dbraw/zinc/78/41/77/388784177.db2.gz URUHNLDNJIYVBT-ZJUUUORDSA-N 0 3 227.735 3.553 20 0 BHADHN CC(C)C[C@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000539830929 388784357 /nfs/dbraw/zinc/78/43/57/388784357.db2.gz SUNXDSSSUYDBPB-LLVKDONJSA-N 0 3 241.762 3.801 20 0 BHADHN CC(C)C[C@@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000539830930 388784123 /nfs/dbraw/zinc/78/41/23/388784123.db2.gz SUNXDSSSUYDBPB-NSHDSACASA-N 0 3 241.762 3.801 20 0 BHADHN CCN(Cc1cc(Cl)ccc1F)CC1CC1 ZINC000539831011 388783835 /nfs/dbraw/zinc/78/38/35/388783835.db2.gz GFUFRDVTPXZQEJ-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CC(C)COc1ccc(CN2CCC2(C)C)cc1 ZINC000539835927 388784101 /nfs/dbraw/zinc/78/41/01/388784101.db2.gz WOPABAHZQZAQJE-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN CN(Cc1ccc(-c2ccccc2)o1)C1CCC1 ZINC000539837617 388784170 /nfs/dbraw/zinc/78/41/70/388784170.db2.gz PFMATTXACINYSH-UHFFFAOYSA-N 0 3 241.334 3.931 20 0 BHADHN CC1(C)CCN1Cc1csc2ccccc12 ZINC000539837984 388784011 /nfs/dbraw/zinc/78/40/11/388784011.db2.gz KEZTUJJBJWRDLV-UHFFFAOYSA-N 0 3 231.364 3.886 20 0 BHADHN Cc1ccoc1CN(C)C[C@H](C)c1ccccc1 ZINC000539838648 388782858 /nfs/dbraw/zinc/78/28/58/388782858.db2.gz DUKQNSNFNAFDPA-AWEZNQCLSA-N 0 3 243.350 3.824 20 0 BHADHN Cc1ccoc1CN(C)C[C@@H](C)c1ccccc1 ZINC000539838649 388783894 /nfs/dbraw/zinc/78/38/94/388783894.db2.gz DUKQNSNFNAFDPA-CQSZACIVSA-N 0 3 243.350 3.824 20 0 BHADHN CCc1ccc(CNCCCc2cccs2)o1 ZINC000539853061 324870718 /nfs/dbraw/zinc/87/07/18/324870718.db2.gz BIMOEOZPUSRZBZ-UHFFFAOYSA-N 0 3 249.379 3.626 20 0 BHADHN CC[C@@H](C)CN(CC)Cc1sccc1OC ZINC000539862936 388785996 /nfs/dbraw/zinc/78/59/96/388785996.db2.gz OGWFYTGYZRPMTE-LLVKDONJSA-N 0 3 241.400 3.625 20 0 BHADHN CC[C@H](C)CN(CC)Cc1sccc1OC ZINC000539862937 388785484 /nfs/dbraw/zinc/78/54/84/388785484.db2.gz OGWFYTGYZRPMTE-NSHDSACASA-N 0 3 241.400 3.625 20 0 BHADHN CC(C)(C)C1=CCN(Cc2ccsc2)CC1 ZINC000539894294 388787169 /nfs/dbraw/zinc/78/71/69/388787169.db2.gz GYHCKADQMGQZNQ-UHFFFAOYSA-N 0 3 235.396 3.926 20 0 BHADHN Cc1ccoc1CN1CC=C(C(C)(C)C)CC1 ZINC000539895845 388788079 /nfs/dbraw/zinc/78/80/79/388788079.db2.gz RASVPQADZZHLMF-UHFFFAOYSA-N 0 3 233.355 3.766 20 0 BHADHN CC(C)(C)C1=CCN(Cc2cccs2)CC1 ZINC000539896975 388787633 /nfs/dbraw/zinc/78/76/33/388787633.db2.gz SXMRGBLIZYPIBW-UHFFFAOYSA-N 0 3 235.396 3.926 20 0 BHADHN CCCCC[C@@H]1CCCN1Cc1cncs1 ZINC000539899152 388787080 /nfs/dbraw/zinc/78/70/80/388787080.db2.gz RROHQQWFCVQXRQ-GFCCVEGCSA-N 0 3 238.400 3.688 20 0 BHADHN CCCCC[C@H]1CCCN1Cc1cncs1 ZINC000539899153 388786704 /nfs/dbraw/zinc/78/67/04/388786704.db2.gz RROHQQWFCVQXRQ-LBPRGKRZSA-N 0 3 238.400 3.688 20 0 BHADHN CC(C)[C@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000539912400 388789805 /nfs/dbraw/zinc/78/98/05/388789805.db2.gz VUNKNMGMENOJJJ-JTQLQIEISA-N 0 3 243.803 3.879 20 0 BHADHN CC(C)[C@@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000539912402 388789416 /nfs/dbraw/zinc/78/94/16/388789416.db2.gz VUNKNMGMENOJJJ-SNVBAGLBSA-N 0 3 243.803 3.879 20 0 BHADHN CC[C@@H](CN1CC[C@@](C)(F)C1)c1ccccc1 ZINC000539923737 388788981 /nfs/dbraw/zinc/78/89/81/388788981.db2.gz KFXQHGAUNBDBHK-DZGCQCFKSA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@H](CN1CC[C@](C)(F)C1)c1ccccc1 ZINC000539923738 388789388 /nfs/dbraw/zinc/78/93/88/388789388.db2.gz KFXQHGAUNBDBHK-HIFRSBDPSA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@H](CN1CC[C@@](C)(F)C1)c1ccccc1 ZINC000539923739 388789328 /nfs/dbraw/zinc/78/93/28/388789328.db2.gz KFXQHGAUNBDBHK-UKRRQHHQSA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@@H](CN1CC[C@](C)(F)C1)c1ccccc1 ZINC000539923882 388788545 /nfs/dbraw/zinc/78/85/45/388788545.db2.gz KFXQHGAUNBDBHK-ZFWWWQNUSA-N 0 3 235.346 3.614 20 0 BHADHN c1cc(-c2ccccc2)oc1CN1CCCCC1 ZINC000539924103 324876119 /nfs/dbraw/zinc/87/61/19/324876119.db2.gz PFAWLZMESKPFKB-UHFFFAOYSA-N 0 3 241.334 3.933 20 0 BHADHN FC(F)(F)CCN(CC1CCCCC1)C1CC1 ZINC000539958024 323077326 /nfs/dbraw/zinc/07/73/26/323077326.db2.gz AEXFMTNUTYQTOJ-UHFFFAOYSA-N 0 3 249.320 3.984 20 0 BHADHN CCC(CC)CN(CC)[C@H](C)c1ncc(C)o1 ZINC000540011382 388791000 /nfs/dbraw/zinc/79/10/00/388791000.db2.gz RHRGCFZIEUYUEN-GFCCVEGCSA-N 0 3 238.375 3.802 20 0 BHADHN CCC(CC)CN(CC)[C@@H](C)c1ncc(C)o1 ZINC000540011383 388791063 /nfs/dbraw/zinc/79/10/63/388791063.db2.gz RHRGCFZIEUYUEN-LBPRGKRZSA-N 0 3 238.375 3.802 20 0 BHADHN CCc1ccc(C2=CCN(CCCF)CC2)cc1 ZINC000540059873 388795359 /nfs/dbraw/zinc/79/53/59/388795359.db2.gz VRKUJWVOXFSVAY-UHFFFAOYSA-N 0 3 247.357 3.698 20 0 BHADHN CCC[C@@]1(C)CCCN(Cc2ncccc2C)C1 ZINC000540068175 388794406 /nfs/dbraw/zinc/79/44/06/388794406.db2.gz ADUKKPKZKIBWND-INIZCTEOSA-N 0 3 246.398 3.792 20 0 BHADHN CCC[C@]1(C)CCCN(Cc2ncccc2C)C1 ZINC000540068176 388794448 /nfs/dbraw/zinc/79/44/48/388794448.db2.gz ADUKKPKZKIBWND-MRXNPFEDSA-N 0 3 246.398 3.792 20 0 BHADHN Fc1ccccc1[C@@H](NC1CC1)C1CCCC1 ZINC000540260617 388802529 /nfs/dbraw/zinc/80/25/29/388802529.db2.gz LGGGXZZHEWCVRQ-HNNXBMFYSA-N 0 3 233.330 3.809 20 0 BHADHN Fc1ccccc1[C@H](NC1CC1)C1CCCC1 ZINC000540260618 324894093 /nfs/dbraw/zinc/89/40/93/324894093.db2.gz LGGGXZZHEWCVRQ-OAHLLOKOSA-N 0 3 233.330 3.809 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@@H](C)C(F)(F)F)cc1 ZINC000540327786 324896622 /nfs/dbraw/zinc/89/66/22/324896622.db2.gz FWYVOOQHCUHNNR-GHMZBOCLSA-N 0 3 245.288 3.844 20 0 BHADHN Cc1ccc([C@H](C)NC[C@@H](C)C(F)(F)F)cc1 ZINC000540327791 388804183 /nfs/dbraw/zinc/80/41/83/388804183.db2.gz FWYVOOQHCUHNNR-MNOVXSKESA-N 0 3 245.288 3.844 20 0 BHADHN Cc1ccc([C@H](C)NC[C@H](C)C(F)(F)F)cc1 ZINC000540327793 388804215 /nfs/dbraw/zinc/80/42/15/388804215.db2.gz FWYVOOQHCUHNNR-QWRGUYRKSA-N 0 3 245.288 3.844 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@H](C)C(F)(F)F)cc1 ZINC000540327797 324896582 /nfs/dbraw/zinc/89/65/82/324896582.db2.gz FWYVOOQHCUHNNR-WDEREUQCSA-N 0 3 245.288 3.844 20 0 BHADHN CCC[C@H](C)CN1CC=C(C(F)(F)F)CC1 ZINC000540481606 388808971 /nfs/dbraw/zinc/80/89/71/388808971.db2.gz XTQSMIMYRDQSPP-JTQLQIEISA-N 0 3 235.293 3.617 20 0 BHADHN CCC[C@@H](C)CN1CC=C(C(F)(F)F)CC1 ZINC000540481607 388807638 /nfs/dbraw/zinc/80/76/38/388807638.db2.gz XTQSMIMYRDQSPP-SNVBAGLBSA-N 0 3 235.293 3.617 20 0 BHADHN CC(C)COc1cccc(CN2CCC2(C)C)c1 ZINC000540481942 388808175 /nfs/dbraw/zinc/80/81/75/388808175.db2.gz RZWYKQDKDMEXRR-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN Cc1ccc([C@@H](NCCCF)C2CCCC2)o1 ZINC000540495782 324902144 /nfs/dbraw/zinc/90/21/44/324902144.db2.gz SFJPXVVRJOZAOA-AWEZNQCLSA-N 0 3 239.334 3.769 20 0 BHADHN Cc1ccc([C@H](NCCCF)C2CCCC2)o1 ZINC000540495783 324902009 /nfs/dbraw/zinc/90/20/09/324902009.db2.gz SFJPXVVRJOZAOA-CQSZACIVSA-N 0 3 239.334 3.769 20 0 BHADHN CC(C)Oc1ccccc1CN1CC[C@H]1C(C)C ZINC000540499798 388808120 /nfs/dbraw/zinc/80/81/20/388808120.db2.gz OCQHDLHSAATARH-HNNXBMFYSA-N 0 3 247.382 3.704 20 0 BHADHN CC(C)Oc1ccccc1CN1CC[C@@H]1C(C)C ZINC000540499800 388807791 /nfs/dbraw/zinc/80/77/91/388807791.db2.gz OCQHDLHSAATARH-OAHLLOKOSA-N 0 3 247.382 3.704 20 0 BHADHN Cc1ccoc1CNCCc1cccc(Cl)c1 ZINC000540503258 388808229 /nfs/dbraw/zinc/80/82/29/388808229.db2.gz BQIBKNTVADZBSB-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN CCN(Cc1cccc(OCC(C)C)c1)C1CC1 ZINC000540506507 388808258 /nfs/dbraw/zinc/80/82/58/388808258.db2.gz MTJOEALEECYVPO-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN CC[C@@H](NCc1nc2ccccc2o1)C(C)(C)C ZINC000540590605 388811586 /nfs/dbraw/zinc/81/15/86/388811586.db2.gz KLUQIDGFPBDWJD-CYBMUJFWSA-N 0 3 246.354 3.742 20 0 BHADHN CC[C@H](NCc1nc2ccccc2o1)C(C)(C)C ZINC000540590607 324906999 /nfs/dbraw/zinc/90/69/99/324906999.db2.gz KLUQIDGFPBDWJD-ZDUSSCGKSA-N 0 3 246.354 3.742 20 0 BHADHN Cc1ccc(CNC(C)C)c(OC(C)(C)C)c1 ZINC000540594617 324907480 /nfs/dbraw/zinc/90/74/80/324907480.db2.gz BZGSRJSQWVZMDQ-UHFFFAOYSA-N 0 3 235.371 3.670 20 0 BHADHN CC(C)C[C@@H](C)NC1(c2ccccc2F)CC1 ZINC000540752504 388817087 /nfs/dbraw/zinc/81/70/87/388817087.db2.gz WMRZVOTTWRELFB-GFCCVEGCSA-N 0 3 235.346 3.839 20 0 BHADHN CC(C)C[C@H](C)NC1(c2ccccc2F)CC1 ZINC000540752514 324915974 /nfs/dbraw/zinc/91/59/74/324915974.db2.gz WMRZVOTTWRELFB-LBPRGKRZSA-N 0 3 235.346 3.839 20 0 BHADHN C[C@@H]1CCC[C@H]1NC1(c2ccccc2F)CC1 ZINC000540752937 388816376 /nfs/dbraw/zinc/81/63/76/388816376.db2.gz HXKDNLQWAQOYPL-BXUZGUMPSA-N 0 3 233.330 3.593 20 0 BHADHN C[C@H]1CCC[C@@H]1NC1(c2ccccc2F)CC1 ZINC000540752938 398127932 /nfs/dbraw/zinc/12/79/32/398127932.db2.gz HXKDNLQWAQOYPL-FZMZJTMJSA-N 0 3 233.330 3.593 20 0 BHADHN C[C@@H]1CCC[C@@H]1NC1(c2ccccc2F)CC1 ZINC000540752939 324916726 /nfs/dbraw/zinc/91/67/26/324916726.db2.gz HXKDNLQWAQOYPL-RISCZKNCSA-N 0 3 233.330 3.593 20 0 BHADHN C[C@H]1CCC[C@H]1NC1(c2ccccc2F)CC1 ZINC000540752940 388816311 /nfs/dbraw/zinc/81/63/11/388816311.db2.gz HXKDNLQWAQOYPL-SMDDNHRTSA-N 0 3 233.330 3.593 20 0 BHADHN CCOc1ccccc1[C@@H](C)NC1(C2CC2)CC1 ZINC000540753402 324916718 /nfs/dbraw/zinc/91/67/18/324916718.db2.gz MBJMIDGDUSCEQM-GFCCVEGCSA-N 0 3 245.366 3.679 20 0 BHADHN CCOc1ccccc1[C@H](C)NC1(C2CC2)CC1 ZINC000540753403 388816110 /nfs/dbraw/zinc/81/61/10/388816110.db2.gz MBJMIDGDUSCEQM-LBPRGKRZSA-N 0 3 245.366 3.679 20 0 BHADHN CC[C@H](NC1(c2ccccc2F)CC1)C1CC1 ZINC000540754669 324916829 /nfs/dbraw/zinc/91/68/29/324916829.db2.gz WVXBZUUFGJCGFV-AWEZNQCLSA-N 0 3 233.330 3.593 20 0 BHADHN CC[C@@H](NC1(c2ccccc2F)CC1)C1CC1 ZINC000540754670 388816582 /nfs/dbraw/zinc/81/65/82/388816582.db2.gz WVXBZUUFGJCGFV-CQSZACIVSA-N 0 3 233.330 3.593 20 0 BHADHN CCCC[C@@H](C)NC1(c2ccccc2F)CC1 ZINC000540754706 388816550 /nfs/dbraw/zinc/81/65/50/388816550.db2.gz YPJRBXXVJNCKJS-GFCCVEGCSA-N 0 3 235.346 3.983 20 0 BHADHN CCCC[C@H](C)NC1(c2ccccc2F)CC1 ZINC000540754707 398127898 /nfs/dbraw/zinc/12/78/98/398127898.db2.gz YPJRBXXVJNCKJS-LBPRGKRZSA-N 0 3 235.346 3.983 20 0 BHADHN CC(C)CCN1Cc2ccccc2[C@H]1C ZINC000541204294 388844309 /nfs/dbraw/zinc/84/43/09/388844309.db2.gz UGUYKTGOHONWNG-GFCCVEGCSA-N 0 3 203.329 3.609 20 0 BHADHN CC(C)CCN1Cc2ccccc2[C@@H]1C ZINC000541204295 388845327 /nfs/dbraw/zinc/84/53/27/388845327.db2.gz UGUYKTGOHONWNG-LBPRGKRZSA-N 0 3 203.329 3.609 20 0 BHADHN CC[C@H](C)[C@H](C)Nc1ccc(C)cc1CN(C)C ZINC000541239004 324951425 /nfs/dbraw/zinc/95/14/25/324951425.db2.gz YSYZIHRBCANYOX-KBPBESRZSA-N 0 3 248.414 3.903 20 0 BHADHN CC[C@@H](C)[C@H](C)Nc1ccc(C)cc1CN(C)C ZINC000541239005 388845396 /nfs/dbraw/zinc/84/53/96/388845396.db2.gz YSYZIHRBCANYOX-KGLIPLIRSA-N 0 3 248.414 3.903 20 0 BHADHN CC[C@H](C)[C@@H](C)Nc1ccc(C)cc1CN(C)C ZINC000541239006 388844833 /nfs/dbraw/zinc/84/48/33/388844833.db2.gz YSYZIHRBCANYOX-UONOGXRCSA-N 0 3 248.414 3.903 20 0 BHADHN CC[C@@H](C)[C@@H](C)Nc1ccc(C)cc1CN(C)C ZINC000541239007 388844000 /nfs/dbraw/zinc/84/40/00/388844000.db2.gz YSYZIHRBCANYOX-ZIAGYGMSSA-N 0 3 248.414 3.903 20 0 BHADHN CC(C)c1ccc([C@H](C)N2CCCOCC2)cc1 ZINC000541272060 388845974 /nfs/dbraw/zinc/84/59/74/388845974.db2.gz GSECLGWEJQDUSV-AWEZNQCLSA-N 0 3 247.382 3.593 20 0 BHADHN CC(C)c1ccc([C@@H](C)N2CCCOCC2)cc1 ZINC000541272061 388846906 /nfs/dbraw/zinc/84/69/06/388846906.db2.gz GSECLGWEJQDUSV-CQSZACIVSA-N 0 3 247.382 3.593 20 0 BHADHN Cc1ccc(CCCN(C)Cc2ccco2)cc1 ZINC000541281221 388848088 /nfs/dbraw/zinc/84/80/88/388848088.db2.gz NHJLYLIOFCTIGG-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN CC(C)c1ccc([C@@H](C)N2CCSCC2)cc1 ZINC000541282431 324953455 /nfs/dbraw/zinc/95/34/55/324953455.db2.gz LXIAKTMXFJTZLU-CYBMUJFWSA-N 0 3 249.423 3.920 20 0 BHADHN CC(C)c1ccc([C@H](C)N2CCSCC2)cc1 ZINC000541282432 388847569 /nfs/dbraw/zinc/84/75/69/388847569.db2.gz LXIAKTMXFJTZLU-ZDUSSCGKSA-N 0 3 249.423 3.920 20 0 BHADHN Cc1cc(CN2CCC2(C)C)cc2cccnc12 ZINC000541535348 388855353 /nfs/dbraw/zinc/85/53/53/388855353.db2.gz AVHAZOKHSASUHK-UHFFFAOYSA-N 0 3 240.350 3.528 20 0 BHADHN Cc1cccc([C@H]2CCN(Cc3ccco3)C2)c1 ZINC000541553366 388857061 /nfs/dbraw/zinc/85/70/61/388857061.db2.gz FBIGUJCKMANYLA-HNNXBMFYSA-N 0 3 241.334 3.578 20 0 BHADHN Cc1cccc([C@@H]2CCN(Cc3ccco3)C2)c1 ZINC000541553367 388856853 /nfs/dbraw/zinc/85/68/53/388856853.db2.gz FBIGUJCKMANYLA-OAHLLOKOSA-N 0 3 241.334 3.578 20 0 BHADHN CCc1ccc(CN(C)C[C@@H]2CC=CCC2)o1 ZINC000541554287 388856790 /nfs/dbraw/zinc/85/67/90/388856790.db2.gz YMBOENGCKMRSJD-CYBMUJFWSA-N 0 3 233.355 3.630 20 0 BHADHN CCc1ccc(CN(C)C[C@H]2CC=CCC2)o1 ZINC000541554352 388855612 /nfs/dbraw/zinc/85/56/12/388855612.db2.gz YMBOENGCKMRSJD-ZDUSSCGKSA-N 0 3 233.355 3.630 20 0 BHADHN CC[C@@H]1CCC[C@H](CN(C)Cc2ccccn2)C1 ZINC000541763838 388867392 /nfs/dbraw/zinc/86/73/92/388867392.db2.gz XPCIBOOHZXKZRG-CABCVRRESA-N 0 3 246.398 3.730 20 0 BHADHN CC[C@H]1CCC[C@H](CN(C)Cc2ccccn2)C1 ZINC000541763839 388867704 /nfs/dbraw/zinc/86/77/04/388867704.db2.gz XPCIBOOHZXKZRG-GJZGRUSLSA-N 0 3 246.398 3.730 20 0 BHADHN CC[C@@H]1CCC[C@@H](CN(C)Cc2ccccn2)C1 ZINC000541763840 388866791 /nfs/dbraw/zinc/86/67/91/388866791.db2.gz XPCIBOOHZXKZRG-HUUCEWRRSA-N 0 3 246.398 3.730 20 0 BHADHN CC[C@H]1CCC[C@@H](CN(C)Cc2ccccn2)C1 ZINC000541763841 388867712 /nfs/dbraw/zinc/86/77/12/388867712.db2.gz XPCIBOOHZXKZRG-LSDHHAIUSA-N 0 3 246.398 3.730 20 0 BHADHN C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)c1ccon1 ZINC000541770863 324978697 /nfs/dbraw/zinc/97/86/97/324978697.db2.gz AYJFQIJWJCAHRG-AGIUHOORSA-N 0 3 244.338 3.517 20 0 BHADHN C[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1ccon1 ZINC000541770864 324979098 /nfs/dbraw/zinc/97/90/98/324979098.db2.gz AYJFQIJWJCAHRG-AVGNSLFASA-N 0 3 244.338 3.517 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccon1)[C@@H](C)c1ccccc1 ZINC000541770866 324978633 /nfs/dbraw/zinc/97/86/33/324978633.db2.gz AYJFQIJWJCAHRG-UPJWGTAASA-N 0 3 244.338 3.517 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccon1)[C@H](C)c1ccccc1 ZINC000541770867 324978963 /nfs/dbraw/zinc/97/89/63/324978963.db2.gz AYJFQIJWJCAHRG-XQQFMLRXSA-N 0 3 244.338 3.517 20 0 BHADHN Cc1cc(CN2C3CCC2CC3)ccc1Cl ZINC000541881492 388872191 /nfs/dbraw/zinc/87/21/91/388872191.db2.gz NKXXHSSUXLCJLF-UHFFFAOYSA-N 0 3 235.758 3.775 20 0 BHADHN Cc1cc(CN2CCCCC2)ccc1Cl ZINC000541886469 388873252 /nfs/dbraw/zinc/87/32/52/388873252.db2.gz MYYQWEPFRGFXBF-UHFFFAOYSA-N 0 3 223.747 3.634 20 0 BHADHN CC(C)=CCN1Cc2ccccc2[C@H]1C ZINC000542135068 325010750 /nfs/dbraw/zinc/01/07/50/325010750.db2.gz XNAURSIEAZDZDJ-GFCCVEGCSA-N 0 3 201.313 3.529 20 0 BHADHN CC(C)=CCN1Cc2ccccc2[C@@H]1C ZINC000542135074 325010598 /nfs/dbraw/zinc/01/05/98/325010598.db2.gz XNAURSIEAZDZDJ-LBPRGKRZSA-N 0 3 201.313 3.529 20 0 BHADHN Cc1occc1CN(C)[C@H](C)Cc1ccsc1 ZINC000542150319 325010684 /nfs/dbraw/zinc/01/06/84/325010684.db2.gz DETFTIWDRCHDCR-LLVKDONJSA-N 0 3 249.379 3.713 20 0 BHADHN Cc1occc1CN(C)[C@@H](C)Cc1ccsc1 ZINC000542150320 325010655 /nfs/dbraw/zinc/01/06/55/325010655.db2.gz DETFTIWDRCHDCR-NSHDSACASA-N 0 3 249.379 3.713 20 0 BHADHN CC[C@H](Nc1ccc(C)cc1CN(C)C)C(C)C ZINC000542167036 325012444 /nfs/dbraw/zinc/01/24/44/325012444.db2.gz QNENJHWGQMBDPG-HNNXBMFYSA-N 0 3 248.414 3.903 20 0 BHADHN CC[C@@H](Nc1ccc(C)cc1CN(C)C)C(C)C ZINC000542167037 325012220 /nfs/dbraw/zinc/01/22/20/325012220.db2.gz QNENJHWGQMBDPG-OAHLLOKOSA-N 0 3 248.414 3.903 20 0 BHADHN C[C@@H]1[C@H](NCc2ccco2)C[C@H]1c1ccccc1 ZINC000542167309 325012585 /nfs/dbraw/zinc/01/25/85/325012585.db2.gz UHFKBQIAAAVJHG-APHBMKBZSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@@H]1[C@H](NCc2ccco2)C[C@@H]1c1ccccc1 ZINC000542167310 325012301 /nfs/dbraw/zinc/01/23/01/325012301.db2.gz UHFKBQIAAAVJHG-VBNZEHGJSA-N 0 3 241.334 3.561 20 0 BHADHN C[C@@H]1c2ccccc2CN1CC(C)(C)C ZINC000542175138 325012995 /nfs/dbraw/zinc/01/29/95/325012995.db2.gz JYTQKJOLMBQCJG-LLVKDONJSA-N 0 3 203.329 3.609 20 0 BHADHN C[C@H]1c2ccccc2CN1CC(C)(C)C ZINC000542175139 325013164 /nfs/dbraw/zinc/01/31/64/325013164.db2.gz JYTQKJOLMBQCJG-NSHDSACASA-N 0 3 203.329 3.609 20 0 BHADHN Clc1ccc2c(c1)[C@@H](N1CCCCC1)CC2 ZINC000542208665 325015471 /nfs/dbraw/zinc/01/54/71/325015471.db2.gz IDSJDOJLICICCL-AWEZNQCLSA-N 0 3 235.758 3.813 20 0 BHADHN Clc1ccc2c(c1)[C@H](N1CCCCC1)CC2 ZINC000542208667 325015645 /nfs/dbraw/zinc/01/56/45/325015645.db2.gz IDSJDOJLICICCL-CQSZACIVSA-N 0 3 235.758 3.813 20 0 BHADHN Clc1ccccc1CCCN1C2CCC1CC2 ZINC000542210310 325015555 /nfs/dbraw/zinc/01/55/55/325015555.db2.gz ULVUMYVGMWCXTA-UHFFFAOYSA-N 0 3 249.785 3.899 20 0 BHADHN C[C@@H](NC1(C2CC2)CC1)c1c(F)cccc1F ZINC000542521904 325033214 /nfs/dbraw/zinc/03/32/14/325033214.db2.gz QLQYHSTWZRNOQC-SECBINFHSA-N 0 3 237.293 3.558 20 0 BHADHN C[C@H](NC1(C2CC2)CC1)c1c(F)cccc1F ZINC000542521908 325033066 /nfs/dbraw/zinc/03/30/66/325033066.db2.gz QLQYHSTWZRNOQC-VIFPVBQESA-N 0 3 237.293 3.558 20 0 BHADHN CC(C)C1CCC(N[C@@H](C)c2ccon2)CC1 ZINC000542700854 325042492 /nfs/dbraw/zinc/04/24/92/325042492.db2.gz XHTFYHDSJOWQJX-HIFPTAJRSA-N 0 3 236.359 3.540 20 0 BHADHN CC(C)C1CCC(N[C@H](C)c2ccon2)CC1 ZINC000542700861 325042072 /nfs/dbraw/zinc/04/20/72/325042072.db2.gz XHTFYHDSJOWQJX-PNESKVBLSA-N 0 3 236.359 3.540 20 0 BHADHN CC[C@@H]1CCC[C@@H](CN[C@H](C)c2ccon2)C1 ZINC000542710061 325042983 /nfs/dbraw/zinc/04/29/83/325042983.db2.gz SILSUBGIVFJJBH-JHJVBQTASA-N 0 3 236.359 3.542 20 0 BHADHN CC[C@@H]1CCC[C@H](CN[C@H](C)c2ccon2)C1 ZINC000542710062 325043049 /nfs/dbraw/zinc/04/30/49/325043049.db2.gz SILSUBGIVFJJBH-UPJWGTAASA-N 0 3 236.359 3.542 20 0 BHADHN CC[C@@H]1CCC[C@H](CN[C@@H](C)c2ccon2)C1 ZINC000542710063 325043377 /nfs/dbraw/zinc/04/33/77/325043377.db2.gz SILSUBGIVFJJBH-XQQFMLRXSA-N 0 3 236.359 3.542 20 0 BHADHN CC[C@@H]1CCC[C@@H](CN[C@@H](C)c2ccon2)C1 ZINC000542710064 325043114 /nfs/dbraw/zinc/04/31/14/325043114.db2.gz SILSUBGIVFJJBH-YNEHKIRRSA-N 0 3 236.359 3.542 20 0 BHADHN C[C@@H](NC[C@H]1CCCC(C)(C)C1)c1ccon1 ZINC000542719283 325043964 /nfs/dbraw/zinc/04/39/64/325043964.db2.gz GQUHWXPRWNZGPU-NEPJUHHUSA-N 0 3 236.359 3.542 20 0 BHADHN C[C@H](NC[C@@H]1CCCC(C)(C)C1)c1ccon1 ZINC000542719284 325043763 /nfs/dbraw/zinc/04/37/63/325043763.db2.gz GQUHWXPRWNZGPU-NWDGAFQWSA-N 0 3 236.359 3.542 20 0 BHADHN C[C@H](NC[C@H]1CCCC(C)(C)C1)c1ccon1 ZINC000542719285 325043682 /nfs/dbraw/zinc/04/36/82/325043682.db2.gz GQUHWXPRWNZGPU-RYUDHWBXSA-N 0 3 236.359 3.542 20 0 BHADHN C[C@@H](NC[C@@H]1CCCC(C)(C)C1)c1ccon1 ZINC000542719286 325043732 /nfs/dbraw/zinc/04/37/32/325043732.db2.gz GQUHWXPRWNZGPU-VXGBXAGGSA-N 0 3 236.359 3.542 20 0 BHADHN CC[C@H](NC1(C2CC2)CC1)c1ccccc1F ZINC000542776795 325045508 /nfs/dbraw/zinc/04/55/08/325045508.db2.gz HLKAREWQXCGTJR-AWEZNQCLSA-N 0 3 233.330 3.809 20 0 BHADHN CC[C@@H](NC1(C2CC2)CC1)c1ccccc1F ZINC000542776796 325045588 /nfs/dbraw/zinc/04/55/88/325045588.db2.gz HLKAREWQXCGTJR-CQSZACIVSA-N 0 3 233.330 3.809 20 0 BHADHN CCC(CC)(CC)CN(C)Cc1cccn1C ZINC000542949277 325065183 /nfs/dbraw/zinc/06/51/83/325065183.db2.gz SWXVJVIHOVBBEL-UHFFFAOYSA-N 0 3 236.403 3.673 20 0 BHADHN C[C@H](Cc1ccsc1)N(C)[C@@H](C)c1ccco1 ZINC000543057708 325068822 /nfs/dbraw/zinc/06/88/22/325068822.db2.gz LUPHVQSIKHHSCC-NEPJUHHUSA-N 0 3 249.379 3.965 20 0 BHADHN C[C@H](c1ccco1)N(C)[C@@H](C)Cc1ccsc1 ZINC000543057709 325069031 /nfs/dbraw/zinc/06/90/31/325069031.db2.gz LUPHVQSIKHHSCC-NWDGAFQWSA-N 0 3 249.379 3.965 20 0 BHADHN C[C@@H](Cc1ccsc1)N(C)[C@@H](C)c1ccco1 ZINC000543057710 325068680 /nfs/dbraw/zinc/06/86/80/325068680.db2.gz LUPHVQSIKHHSCC-RYUDHWBXSA-N 0 3 249.379 3.965 20 0 BHADHN C[C@H](Cc1ccsc1)N(C)[C@H](C)c1ccco1 ZINC000543057711 325068724 /nfs/dbraw/zinc/06/87/24/325068724.db2.gz LUPHVQSIKHHSCC-VXGBXAGGSA-N 0 3 249.379 3.965 20 0 BHADHN Clc1ccc2c(c1)[C@@H](N1C3CCC1CC3)CC2 ZINC000543140185 325073837 /nfs/dbraw/zinc/07/38/37/325073837.db2.gz UQMSBZJKGWKOKL-PIMMBPRGSA-N 0 3 247.769 3.954 20 0 BHADHN Clc1ccc2c(c1)[C@H](N1C3CCC1CC3)CC2 ZINC000543140186 325073868 /nfs/dbraw/zinc/07/38/68/325073868.db2.gz UQMSBZJKGWKOKL-SSDMNJCBSA-N 0 3 247.769 3.954 20 0 BHADHN C[C@H]1CCCN1[C@H]1CCc2ccc(Cl)cc21 ZINC000543205828 325077236 /nfs/dbraw/zinc/07/72/36/325077236.db2.gz HNRGQZLUEGCMHF-HZMBPMFUSA-N 0 3 235.758 3.812 20 0 BHADHN C[C@H]1CCCN1[C@@H]1CCc2ccc(Cl)cc21 ZINC000543205841 325077285 /nfs/dbraw/zinc/07/72/85/325077285.db2.gz HNRGQZLUEGCMHF-IINYFYTJSA-N 0 3 235.758 3.812 20 0 BHADHN C[C@@H]1CCCN1[C@@H]1CCc2ccc(Cl)cc21 ZINC000543205843 325076847 /nfs/dbraw/zinc/07/68/47/325076847.db2.gz HNRGQZLUEGCMHF-QMTHXVAHSA-N 0 3 235.758 3.812 20 0 BHADHN C[C@@H]1CCCN1[C@H]1CCc2ccc(Cl)cc21 ZINC000543205845 325076932 /nfs/dbraw/zinc/07/69/32/325076932.db2.gz HNRGQZLUEGCMHF-YGRLFVJLSA-N 0 3 235.758 3.812 20 0 BHADHN C[C@@H]1CCCC[C@@H]1CN(C)Cc1ccco1 ZINC000543393540 325085984 /nfs/dbraw/zinc/08/59/84/325085984.db2.gz IOLQEYVCJXSXNC-CHWSQXEVSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@@H]1CCCC[C@H]1CN(C)Cc1ccco1 ZINC000543393541 325085774 /nfs/dbraw/zinc/08/57/74/325085774.db2.gz IOLQEYVCJXSXNC-OLZOCXBDSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@H]1CCCC[C@@H]1CN(C)Cc1ccco1 ZINC000543393542 325086061 /nfs/dbraw/zinc/08/60/61/325086061.db2.gz IOLQEYVCJXSXNC-QWHCGFSZSA-N 0 3 221.344 3.538 20 0 BHADHN C[C@H]1CCCC[C@H]1CN(C)Cc1ccco1 ZINC000543393543 325086220 /nfs/dbraw/zinc/08/62/20/325086220.db2.gz IOLQEYVCJXSXNC-STQMWFEESA-N 0 3 221.344 3.538 20 0 BHADHN CC(C)(C)[C@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000543413560 325087177 /nfs/dbraw/zinc/08/71/77/325087177.db2.gz UBAXHNLUHQVPBN-JTQLQIEISA-N 0 3 241.762 3.801 20 0 BHADHN CC(C)(C)[C@@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000543413561 325087578 /nfs/dbraw/zinc/08/75/78/325087578.db2.gz UBAXHNLUHQVPBN-SNVBAGLBSA-N 0 3 241.762 3.801 20 0 BHADHN C[C@@H](Cc1ccccc1)CN(C)Cc1ccco1 ZINC000543446973 325088279 /nfs/dbraw/zinc/08/82/79/325088279.db2.gz GMWZDZZQRWWDQC-AWEZNQCLSA-N 0 3 243.350 3.590 20 0 BHADHN C[C@H](Cc1ccccc1)CN(C)Cc1ccco1 ZINC000543446979 325088419 /nfs/dbraw/zinc/08/84/19/325088419.db2.gz GMWZDZZQRWWDQC-CQSZACIVSA-N 0 3 243.350 3.590 20 0 BHADHN FCCN[C@H](Cc1ccccc1)c1cccs1 ZINC000543453013 325089618 /nfs/dbraw/zinc/08/96/18/325089618.db2.gz APPPERYGIPQHBO-CYBMUJFWSA-N 0 3 249.354 3.591 20 0 BHADHN FCCN[C@@H](Cc1ccccc1)c1cccs1 ZINC000543453014 325089650 /nfs/dbraw/zinc/08/96/50/325089650.db2.gz APPPERYGIPQHBO-ZDUSSCGKSA-N 0 3 249.354 3.591 20 0 BHADHN CN(Cc1ccccn1)C[C@H]1CCCC(C)(C)C1 ZINC000543619796 325097879 /nfs/dbraw/zinc/09/78/79/325097879.db2.gz HXRONHRCRZHNII-AWEZNQCLSA-N 0 3 246.398 3.730 20 0 BHADHN CN(Cc1ccccn1)C[C@@H]1CCCC(C)(C)C1 ZINC000543619797 325097994 /nfs/dbraw/zinc/09/79/94/325097994.db2.gz HXRONHRCRZHNII-CQSZACIVSA-N 0 3 246.398 3.730 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccon1)C1CCCCC1 ZINC000543625736 325098591 /nfs/dbraw/zinc/09/85/91/325098591.db2.gz OAZAPFJDRVLOAT-AAEUAGOBSA-N 0 3 236.359 3.684 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccon1)C1CCCCC1 ZINC000543625737 325098929 /nfs/dbraw/zinc/09/89/29/325098929.db2.gz OAZAPFJDRVLOAT-DGCLKSJQSA-N 0 3 236.359 3.684 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccon1)C1CCCCC1 ZINC000543625738 325098582 /nfs/dbraw/zinc/09/85/82/325098582.db2.gz OAZAPFJDRVLOAT-WCQYABFASA-N 0 3 236.359 3.684 20 0 BHADHN CC[C@H](N[C@H](C)c1ccon1)C1CCCCC1 ZINC000543625739 325098469 /nfs/dbraw/zinc/09/84/69/325098469.db2.gz OAZAPFJDRVLOAT-YPMHNXCESA-N 0 3 236.359 3.684 20 0 BHADHN Fc1ccc(/C=C/CN2C3CCC2CC3)c(F)c1 ZINC000543631095 325098809 /nfs/dbraw/zinc/09/88/09/325098809.db2.gz FDHHMEMUYKAHKY-OWOJBTEDSA-N 0 3 249.304 3.605 20 0 BHADHN Fc1ccc(/C=C\CN2C3CCC2CC3)c(F)c1 ZINC000543631097 325098708 /nfs/dbraw/zinc/09/87/08/325098708.db2.gz FDHHMEMUYKAHKY-UPHRSURJSA-N 0 3 249.304 3.605 20 0 BHADHN CC[C@H](CN[C@H](C)c1ccon1)c1ccccc1 ZINC000543644792 325099973 /nfs/dbraw/zinc/09/99/73/325099973.db2.gz PKZKUOYZXJVJGJ-CHWSQXEVSA-N 0 3 244.338 3.519 20 0 BHADHN CC[C@@H](CN[C@H](C)c1ccon1)c1ccccc1 ZINC000543644793 325100189 /nfs/dbraw/zinc/10/01/89/325100189.db2.gz PKZKUOYZXJVJGJ-OLZOCXBDSA-N 0 3 244.338 3.519 20 0 BHADHN CC[C@H](CN[C@@H](C)c1ccon1)c1ccccc1 ZINC000543644794 325099344 /nfs/dbraw/zinc/09/93/44/325099344.db2.gz PKZKUOYZXJVJGJ-QWHCGFSZSA-N 0 3 244.338 3.519 20 0 BHADHN CC[C@@H](CN[C@@H](C)c1ccon1)c1ccccc1 ZINC000543644795 325099186 /nfs/dbraw/zinc/09/91/86/325099186.db2.gz PKZKUOYZXJVJGJ-STQMWFEESA-N 0 3 244.338 3.519 20 0 BHADHN C[C@H](Cc1ccsc1)N1Cc2ccccc2C1 ZINC000544013891 325127160 /nfs/dbraw/zinc/12/71/60/325127160.db2.gz OYOQCRIEBIREFK-GFCCVEGCSA-N 0 3 243.375 3.695 20 0 BHADHN C[C@@H](Cc1ccsc1)N1Cc2ccccc2C1 ZINC000544013894 325127110 /nfs/dbraw/zinc/12/71/10/325127110.db2.gz OYOQCRIEBIREFK-LBPRGKRZSA-N 0 3 243.375 3.695 20 0 BHADHN CCC(CC)(CC)CN(C)Cc1ccc[nH]1 ZINC000544022265 325127406 /nfs/dbraw/zinc/12/74/06/325127406.db2.gz MKMBNVMXHTZSFN-UHFFFAOYSA-N 0 3 222.376 3.663 20 0 BHADHN Cc1nc2ccccc2c(N2CCC[C@H]2C)c1C ZINC000544068619 325129996 /nfs/dbraw/zinc/12/99/96/325129996.db2.gz RZIQLKUOKOVASG-LLVKDONJSA-N 0 3 240.350 3.840 20 0 BHADHN Cc1nc2ccccc2c(N2CCC[C@@H]2C)c1C ZINC000544068620 325129753 /nfs/dbraw/zinc/12/97/53/325129753.db2.gz RZIQLKUOKOVASG-NSHDSACASA-N 0 3 240.350 3.840 20 0 BHADHN Cc1nc2ccccc2c(N2CC[C@@H](C)C2)c1C ZINC000544069364 325129870 /nfs/dbraw/zinc/12/98/70/325129870.db2.gz YWQYHUFTAXEIFT-LLVKDONJSA-N 0 3 240.350 3.698 20 0 BHADHN Cc1nc2ccccc2c(N2CC[C@H](C)C2)c1C ZINC000544069365 325129535 /nfs/dbraw/zinc/12/95/35/325129535.db2.gz YWQYHUFTAXEIFT-NSHDSACASA-N 0 3 240.350 3.698 20 0 BHADHN CC1=CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000544070596 325129896 /nfs/dbraw/zinc/12/98/96/325129896.db2.gz BRJLEJVDGOKHII-HNNXBMFYSA-N 0 3 247.769 3.979 20 0 BHADHN CC1=CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000544070597 325129400 /nfs/dbraw/zinc/12/94/00/325129400.db2.gz BRJLEJVDGOKHII-OAHLLOKOSA-N 0 3 247.769 3.979 20 0 BHADHN Clc1ccccc1CCCN1CCC12CCC2 ZINC000544142813 325132807 /nfs/dbraw/zinc/13/28/07/325132807.db2.gz BTLIOPCGCBJJOG-UHFFFAOYSA-N 0 3 249.785 3.901 20 0 BHADHN CN(Cc1ccc(Cl)o1)C[C@@H]1CC=CCC1 ZINC000544369364 325140033 /nfs/dbraw/zinc/14/00/33/325140033.db2.gz PLMBVQLPQWAMFV-LLVKDONJSA-N 0 3 239.746 3.721 20 0 BHADHN CN(Cc1ccc(Cl)o1)C[C@H]1CC=CCC1 ZINC000544369365 325139884 /nfs/dbraw/zinc/13/98/84/325139884.db2.gz PLMBVQLPQWAMFV-NSHDSACASA-N 0 3 239.746 3.721 20 0 BHADHN CN(Cc1cccnc1)C[C@H]1CCCC(C)(C)C1 ZINC000544598761 325150817 /nfs/dbraw/zinc/15/08/17/325150817.db2.gz VHCHRKAXRJHRRS-AWEZNQCLSA-N 0 3 246.398 3.730 20 0 BHADHN CN(Cc1cccnc1)C[C@@H]1CCCC(C)(C)C1 ZINC000544598765 325150666 /nfs/dbraw/zinc/15/06/66/325150666.db2.gz VHCHRKAXRJHRRS-CQSZACIVSA-N 0 3 246.398 3.730 20 0 BHADHN CC(C)CC(CC(C)C)N[C@H](C)c1ccon1 ZINC000544604240 325152058 /nfs/dbraw/zinc/15/20/58/325152058.db2.gz MDFKRWOAKUMYLC-GFCCVEGCSA-N 0 3 238.375 3.786 20 0 BHADHN CC(C)CC(CC(C)C)N[C@@H](C)c1ccon1 ZINC000544604241 325151440 /nfs/dbraw/zinc/15/14/40/325151440.db2.gz MDFKRWOAKUMYLC-LBPRGKRZSA-N 0 3 238.375 3.786 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccon1)C1CCCCCC1 ZINC000544606301 325151917 /nfs/dbraw/zinc/15/19/17/325151917.db2.gz SLRFUAIELYPKDL-NEPJUHHUSA-N 0 3 236.359 3.684 20 0 BHADHN C[C@@H](N[C@@H](C)C1CCCCCC1)c1ccon1 ZINC000544606302 325152039 /nfs/dbraw/zinc/15/20/39/325152039.db2.gz SLRFUAIELYPKDL-NWDGAFQWSA-N 0 3 236.359 3.684 20 0 BHADHN C[C@H](N[C@@H](C)C1CCCCCC1)c1ccon1 ZINC000544606501 325151970 /nfs/dbraw/zinc/15/19/70/325151970.db2.gz SLRFUAIELYPKDL-RYUDHWBXSA-N 0 3 236.359 3.684 20 0 BHADHN C[C@@H](N[C@H](C)C1CCCCCC1)c1ccon1 ZINC000544606503 325151560 /nfs/dbraw/zinc/15/15/60/325151560.db2.gz SLRFUAIELYPKDL-VXGBXAGGSA-N 0 3 236.359 3.684 20 0 BHADHN CCCC1CCC(N[C@@H](C)c2ccon2)CC1 ZINC000544606733 325151497 /nfs/dbraw/zinc/15/14/97/325151497.db2.gz WOPHMZHLVKNAQS-HIFPTAJRSA-N 0 3 236.359 3.684 20 0 BHADHN CCCC1CCC(N[C@H](C)c2ccon2)CC1 ZINC000544606735 325151511 /nfs/dbraw/zinc/15/15/11/325151511.db2.gz WOPHMZHLVKNAQS-PNESKVBLSA-N 0 3 236.359 3.684 20 0 BHADHN Cc1ccc2nccc(N3CC=C(C)CC3)c2c1 ZINC000544845787 325162930 /nfs/dbraw/zinc/16/29/30/325162930.db2.gz LTVREASBLOCSGS-UHFFFAOYSA-N 0 3 238.334 3.700 20 0 BHADHN CCN(CCC1CC1)Cc1cc(F)ccc1F ZINC000544901437 325166274 /nfs/dbraw/zinc/16/62/74/325166274.db2.gz BYECOUPUENVTOT-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN CCN(CCC1CC1)Cc1cc(F)cc(F)c1 ZINC000544942535 325169129 /nfs/dbraw/zinc/16/91/29/325169129.db2.gz BLPUNIPLNZHAHV-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN CC(C)C[C@H](C)C[C@H](C)N[C@@H](C)c1ccon1 ZINC000545240666 325199526 /nfs/dbraw/zinc/19/95/26/325199526.db2.gz DZUHZGMGTOZICA-AVGNSLFASA-N 0 3 238.375 3.786 20 0 BHADHN CC(C)C[C@H](C)C[C@H](C)N[C@H](C)c1ccon1 ZINC000545240667 325199651 /nfs/dbraw/zinc/19/96/51/325199651.db2.gz DZUHZGMGTOZICA-RWMBFGLXSA-N 0 3 238.375 3.786 20 0 BHADHN CC(C)C[C@H](C)C[C@@H](C)N[C@@H](C)c1ccon1 ZINC000545240668 325199485 /nfs/dbraw/zinc/19/94/85/325199485.db2.gz DZUHZGMGTOZICA-XQQFMLRXSA-N 0 3 238.375 3.786 20 0 BHADHN CC(C)C[C@H](C)C[C@@H](C)N[C@H](C)c1ccon1 ZINC000545240669 325199491 /nfs/dbraw/zinc/19/94/91/325199491.db2.gz DZUHZGMGTOZICA-YNEHKIRRSA-N 0 3 238.375 3.786 20 0 BHADHN CCc1ccc(CN2CCCC3(CC3)C2)s1 ZINC000545322539 325213129 /nfs/dbraw/zinc/21/31/29/325213129.db2.gz DVWPINDZXLULMT-UHFFFAOYSA-N 0 3 235.396 3.687 20 0 BHADHN Cc1ccc2[nH]c(CN3CCC3(C)C)cc2c1C ZINC000545328570 325213966 /nfs/dbraw/zinc/21/39/66/325213966.db2.gz FLYVJHKJUFARRW-UHFFFAOYSA-N 0 3 242.366 3.769 20 0 BHADHN CC[C@H](CC(F)(F)F)NCc1ccc(C)cc1 ZINC000545466232 325223859 /nfs/dbraw/zinc/22/38/59/325223859.db2.gz CWEZYOIFWSVOGT-GFCCVEGCSA-N 0 3 245.288 3.816 20 0 BHADHN CC[C@@H](CC(F)(F)F)NCc1ccc(C)cc1 ZINC000545466233 325223845 /nfs/dbraw/zinc/22/38/45/325223845.db2.gz CWEZYOIFWSVOGT-LBPRGKRZSA-N 0 3 245.288 3.816 20 0 BHADHN CC[C@H](CC(F)(F)F)NCc1cccc(C)c1 ZINC000545468439 325223801 /nfs/dbraw/zinc/22/38/01/325223801.db2.gz WJRAWDLZJDKFCP-GFCCVEGCSA-N 0 3 245.288 3.816 20 0 BHADHN CC[C@@H](CC(F)(F)F)NCc1cccc(C)c1 ZINC000545468440 325223939 /nfs/dbraw/zinc/22/39/39/325223939.db2.gz WJRAWDLZJDKFCP-LBPRGKRZSA-N 0 3 245.288 3.816 20 0 BHADHN CC[C@H](CC(F)(F)F)NCc1ccccc1C ZINC000545471867 325223789 /nfs/dbraw/zinc/22/37/89/325223789.db2.gz RBHGNDLKTDFTGT-GFCCVEGCSA-N 0 3 245.288 3.816 20 0 BHADHN CC[C@@H](CC(F)(F)F)NCc1ccccc1C ZINC000545471868 325223900 /nfs/dbraw/zinc/22/39/00/325223900.db2.gz RBHGNDLKTDFTGT-LBPRGKRZSA-N 0 3 245.288 3.816 20 0 BHADHN CCCC[C@H](CC)CN(C)Cc1cccnc1 ZINC000545517559 325226102 /nfs/dbraw/zinc/22/61/02/325226102.db2.gz MYPBKZOSLYOHLS-AWEZNQCLSA-N 0 3 234.387 3.730 20 0 BHADHN CCCC[C@@H](CC)CN(C)Cc1cccnc1 ZINC000545517565 325225939 /nfs/dbraw/zinc/22/59/39/325225939.db2.gz MYPBKZOSLYOHLS-CQSZACIVSA-N 0 3 234.387 3.730 20 0 BHADHN CC[C@H](Cc1ccc(C)cc1)NCc1ccco1 ZINC000545897130 325244275 /nfs/dbraw/zinc/24/42/75/325244275.db2.gz HLUOGABVUOTDGC-OAHLLOKOSA-N 0 3 243.350 3.699 20 0 BHADHN Cc1cccc2c1ncc(C)c2N1CCCCC1 ZINC000545902900 325245189 /nfs/dbraw/zinc/24/51/89/325245189.db2.gz KSCVSKFGFWUEMN-UHFFFAOYSA-N 0 3 240.350 3.842 20 0 BHADHN CCSc1cccc(CN2CCC2(C)C)c1 ZINC000546035416 325262006 /nfs/dbraw/zinc/26/20/06/325262006.db2.gz WAIZGKAKTDUMNC-UHFFFAOYSA-N 0 3 235.396 3.783 20 0 BHADHN CC[C@H](CC(F)(F)F)N[C@H](C)c1ccc(C)o1 ZINC000546164511 325269989 /nfs/dbraw/zinc/26/99/89/325269989.db2.gz MENUPWXKRZQHLO-NXEZZACHSA-N 0 3 249.276 3.970 20 0 BHADHN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(C)o1 ZINC000546164512 325269723 /nfs/dbraw/zinc/26/97/23/325269723.db2.gz MENUPWXKRZQHLO-UWVGGRQHSA-N 0 3 249.276 3.970 20 0 BHADHN CC[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(C)o1 ZINC000546164513 325269840 /nfs/dbraw/zinc/26/98/40/325269840.db2.gz MENUPWXKRZQHLO-VHSXEESVSA-N 0 3 249.276 3.970 20 0 BHADHN CC[C@@H](CC(F)(F)F)N[C@H](C)c1ccc(C)o1 ZINC000546164514 325268378 /nfs/dbraw/zinc/26/83/78/325268378.db2.gz MENUPWXKRZQHLO-ZJUUUORDSA-N 0 3 249.276 3.970 20 0 BHADHN Cc1ccc2nccc(N3C[C@H](C)C[C@H]3C)c2c1 ZINC000546170929 325269681 /nfs/dbraw/zinc/26/96/81/325269681.db2.gz WQEVDLCIJZUGLD-CHWSQXEVSA-N 0 3 240.350 3.778 20 0 BHADHN Cc1ccc2nccc(N3C[C@H](C)C[C@@H]3C)c2c1 ZINC000546170930 325269716 /nfs/dbraw/zinc/26/97/16/325269716.db2.gz WQEVDLCIJZUGLD-OLZOCXBDSA-N 0 3 240.350 3.778 20 0 BHADHN Cc1ccc2nccc(N3C[C@@H](C)C[C@H]3C)c2c1 ZINC000546170931 325269924 /nfs/dbraw/zinc/26/99/24/325269924.db2.gz WQEVDLCIJZUGLD-QWHCGFSZSA-N 0 3 240.350 3.778 20 0 BHADHN Cc1ccc2nccc(N3C[C@@H](C)C[C@@H]3C)c2c1 ZINC000546170932 325269530 /nfs/dbraw/zinc/26/95/30/325269530.db2.gz WQEVDLCIJZUGLD-STQMWFEESA-N 0 3 240.350 3.778 20 0 BHADHN CC[C@@H](CC(F)(F)F)NCc1ccccc1F ZINC000546172301 325269996 /nfs/dbraw/zinc/26/99/96/325269996.db2.gz JVBJSTBKZMSNBN-JTQLQIEISA-N 0 3 249.251 3.646 20 0 BHADHN CC[C@H](CC(F)(F)F)NCc1ccccc1F ZINC000546172303 325269976 /nfs/dbraw/zinc/26/99/76/325269976.db2.gz JVBJSTBKZMSNBN-SNVBAGLBSA-N 0 3 249.251 3.646 20 0 BHADHN CC[C@H](CC(F)(F)F)NCc1ccc(F)cc1 ZINC000546175226 325269521 /nfs/dbraw/zinc/26/95/21/325269521.db2.gz OVTNDWOGZWWEGC-LLVKDONJSA-N 0 3 249.251 3.646 20 0 BHADHN CC[C@@H](CC(F)(F)F)NCc1ccc(F)cc1 ZINC000546175227 325269917 /nfs/dbraw/zinc/26/99/17/325269917.db2.gz OVTNDWOGZWWEGC-NSHDSACASA-N 0 3 249.251 3.646 20 0 BHADHN Cc1ccc2nccc(N3C[C@H](C)[C@H](C)C3)c2c1 ZINC000546180350 325269757 /nfs/dbraw/zinc/26/97/57/325269757.db2.gz BPYDTZXGCSPYCD-BETUJISGSA-N 0 3 240.350 3.635 20 0 BHADHN Cc1ccc2nccc(N3C[C@@H](C)[C@H](C)C3)c2c1 ZINC000546180351 325270093 /nfs/dbraw/zinc/27/00/93/325270093.db2.gz BPYDTZXGCSPYCD-CHWSQXEVSA-N 0 3 240.350 3.635 20 0 BHADHN Cc1ccc2nccc(N3C[C@H](C)[C@@H](C)C3)c2c1 ZINC000546180352 325269782 /nfs/dbraw/zinc/26/97/82/325269782.db2.gz BPYDTZXGCSPYCD-STQMWFEESA-N 0 3 240.350 3.635 20 0 BHADHN Cc1cccc(C)c1[C@@H](C)NCCC(F)(F)F ZINC000546225699 325272032 /nfs/dbraw/zinc/27/20/32/325272032.db2.gz NFLUAYWNWDNMQY-LLVKDONJSA-N 0 3 245.288 3.906 20 0 BHADHN Cc1cccc(C)c1[C@H](C)NCCC(F)(F)F ZINC000546225700 325272113 /nfs/dbraw/zinc/27/21/13/325272113.db2.gz NFLUAYWNWDNMQY-NSHDSACASA-N 0 3 245.288 3.906 20 0 BHADHN CCN(CCC1CC1)Cc1cc(C)ccc1OC ZINC000546228468 325271952 /nfs/dbraw/zinc/27/19/52/325271952.db2.gz RESWYVZCVJGLGK-UHFFFAOYSA-N 0 3 247.382 3.626 20 0 BHADHN CCN(CCC1CC1)Cc1ccc(F)cc1F ZINC000546229954 325272349 /nfs/dbraw/zinc/27/23/49/325272349.db2.gz KCBHGDTZJZGLKT-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN CC/C=C/CCN(Cc1ccccn1)C(C)C ZINC000546644070 325297278 /nfs/dbraw/zinc/29/72/78/325297278.db2.gz LZEUKMTXSGJVDE-AATRIKPKSA-N 0 3 232.371 3.648 20 0 BHADHN CC/C=C\CCN(Cc1ccccn1)C(C)C ZINC000546644071 325297140 /nfs/dbraw/zinc/29/71/40/325297140.db2.gz LZEUKMTXSGJVDE-WAYWQWQTSA-N 0 3 232.371 3.648 20 0 BHADHN Cc1cc(Cl)ccc1CN1CCC1(C)C ZINC000546653503 325298772 /nfs/dbraw/zinc/29/87/72/325298772.db2.gz DBOJQICNUBOLJV-UHFFFAOYSA-N 0 3 223.747 3.633 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@H](C)CCC1CC1)CO2 ZINC000546692656 325302118 /nfs/dbraw/zinc/30/21/18/325302118.db2.gz PICGYZIQAWZCPW-DOMZBBRYSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@H](C)CCC1CC1)CO2 ZINC000546692657 325302045 /nfs/dbraw/zinc/30/20/45/325302045.db2.gz PICGYZIQAWZCPW-IUODEOHRSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@@H](C)CCC1CC1)CO2 ZINC000546692658 325301862 /nfs/dbraw/zinc/30/18/62/325301862.db2.gz PICGYZIQAWZCPW-SWLSCSKDSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)CCC1CC1)CO2 ZINC000546692659 325302156 /nfs/dbraw/zinc/30/21/56/325302156.db2.gz PICGYZIQAWZCPW-WFASDCNBSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2[nH]c(CN3CCCCC3)cc2c1C ZINC000546741520 325308203 /nfs/dbraw/zinc/30/82/03/325308203.db2.gz MLUVZYCZXMEYRJ-UHFFFAOYSA-N 0 3 242.366 3.771 20 0 BHADHN CCc1ccc(CN[C@H](CC)CC(F)(F)F)o1 ZINC000546880822 325316241 /nfs/dbraw/zinc/31/62/41/325316241.db2.gz OUBCFXMEPJOFMR-SECBINFHSA-N 0 3 249.276 3.663 20 0 BHADHN CCc1ccc(CN[C@@H](CC)CC(F)(F)F)o1 ZINC000546880823 325315991 /nfs/dbraw/zinc/31/59/91/325315991.db2.gz OUBCFXMEPJOFMR-VIFPVBQESA-N 0 3 249.276 3.663 20 0 BHADHN CC[C@H](CC(F)(F)F)NCc1cccc(F)c1 ZINC000546880886 325316236 /nfs/dbraw/zinc/31/62/36/325316236.db2.gz RYOHDEIHBWULDF-LLVKDONJSA-N 0 3 249.251 3.646 20 0 BHADHN CC[C@@H](CC(F)(F)F)NCc1cccc(F)c1 ZINC000546880887 325316211 /nfs/dbraw/zinc/31/62/11/325316211.db2.gz RYOHDEIHBWULDF-NSHDSACASA-N 0 3 249.251 3.646 20 0 BHADHN CCOc1ccccc1CN(CC)CCC1CC1 ZINC000546973277 325321474 /nfs/dbraw/zinc/32/14/74/325321474.db2.gz KHCZNOBDMRAECC-UHFFFAOYSA-N 0 3 247.382 3.707 20 0 BHADHN FC1=CCCN(CC2CCCCCC2)C1 ZINC000547291927 325335851 /nfs/dbraw/zinc/33/58/51/325335851.db2.gz YWLYNYIWSPVBHB-UHFFFAOYSA-N 0 3 211.324 3.516 20 0 BHADHN Cc1cc(Cl)ccc1CN1C2CCC1CC2 ZINC000547360999 325347741 /nfs/dbraw/zinc/34/77/41/325347741.db2.gz ZTZQUCLXOWDOMM-UHFFFAOYSA-N 0 3 235.758 3.775 20 0 BHADHN Cc1cc(CN[C@@H](C)C[C@H](C)CC(C)C)no1 ZINC000547366634 325348326 /nfs/dbraw/zinc/34/83/26/325348326.db2.gz LVXZAZYMHPBXKP-NEPJUHHUSA-N 0 3 238.375 3.533 20 0 BHADHN Cc1cc(CN[C@H](C)C[C@@H](C)CC(C)C)no1 ZINC000547366635 325348159 /nfs/dbraw/zinc/34/81/59/325348159.db2.gz LVXZAZYMHPBXKP-NWDGAFQWSA-N 0 3 238.375 3.533 20 0 BHADHN Cc1cc(CN[C@@H](C)C[C@@H](C)CC(C)C)no1 ZINC000547366636 325348280 /nfs/dbraw/zinc/34/82/80/325348280.db2.gz LVXZAZYMHPBXKP-RYUDHWBXSA-N 0 3 238.375 3.533 20 0 BHADHN Cc1cc(CN[C@H](C)C[C@H](C)CC(C)C)no1 ZINC000547366637 325348103 /nfs/dbraw/zinc/34/81/03/325348103.db2.gz LVXZAZYMHPBXKP-VXGBXAGGSA-N 0 3 238.375 3.533 20 0 BHADHN CCSc1cccc(CN2C3CCC2CC3)c1 ZINC000547449336 325356403 /nfs/dbraw/zinc/35/64/03/325356403.db2.gz JJUYTSKEVOXQRL-UHFFFAOYSA-N 0 3 247.407 3.925 20 0 BHADHN C[C@H](CN[C@@H](C)c1ccc(F)cc1)C(F)(F)F ZINC000547507063 325366033 /nfs/dbraw/zinc/36/60/33/325366033.db2.gz CHTYAHHQWOWKET-BDAKNGLRSA-N 0 3 249.251 3.675 20 0 BHADHN C[C@@H](NC[C@H](C)C(F)(F)F)c1ccc(F)cc1 ZINC000547507064 325366063 /nfs/dbraw/zinc/36/60/63/325366063.db2.gz CHTYAHHQWOWKET-DTWKUNHWSA-N 0 3 249.251 3.675 20 0 BHADHN C[C@@H](CN[C@@H](C)c1ccc(F)cc1)C(F)(F)F ZINC000547507065 325366206 /nfs/dbraw/zinc/36/62/06/325366206.db2.gz CHTYAHHQWOWKET-IUCAKERBSA-N 0 3 249.251 3.675 20 0 BHADHN C[C@H](CN[C@H](C)c1ccc(F)cc1)C(F)(F)F ZINC000547507066 325365906 /nfs/dbraw/zinc/36/59/06/325365906.db2.gz CHTYAHHQWOWKET-RKDXNWHRSA-N 0 3 249.251 3.675 20 0 BHADHN C[C@@H]1CCCCCN1Cc1ccc(F)c(F)c1 ZINC000547607466 325374986 /nfs/dbraw/zinc/37/49/86/325374986.db2.gz YXWFDRJFADSGQJ-LLVKDONJSA-N 0 3 239.309 3.729 20 0 BHADHN C[C@H]1CCCCCN1Cc1ccc(F)c(F)c1 ZINC000547607468 325375097 /nfs/dbraw/zinc/37/50/97/325375097.db2.gz YXWFDRJFADSGQJ-NSHDSACASA-N 0 3 239.309 3.729 20 0 BHADHN FC(F)c1cccc(CN2C3CCC2CC3)c1 ZINC000547766722 325393550 /nfs/dbraw/zinc/39/35/50/325393550.db2.gz LIHSANYXKFULRZ-UHFFFAOYSA-N 0 3 237.293 3.751 20 0 BHADHN CC[C@H](c1ccc(F)cc1)N1[C@@H](C)C[C@@H]1C ZINC000547768877 323345134 /nfs/dbraw/zinc/34/51/34/323345134.db2.gz PBDJZGBIQHQTCH-COPLHBTASA-N 0 3 221.319 3.760 20 0 BHADHN CC[C@H](c1ccc(F)cc1)N1[C@H](C)C[C@H]1C ZINC000547768878 323345274 /nfs/dbraw/zinc/34/52/74/323345274.db2.gz PBDJZGBIQHQTCH-JTNHKYCSSA-N 0 3 221.319 3.760 20 0 BHADHN CC[C@H](c1ccc(F)cc1)N1[C@H](C)C[C@@H]1C ZINC000547768879 323344969 /nfs/dbraw/zinc/34/49/69/323344969.db2.gz PBDJZGBIQHQTCH-UHIISALHSA-N 0 3 221.319 3.760 20 0 BHADHN CC[C@@H](c1ccc(F)cc1)N1[C@H](C)C[C@@H]1C ZINC000547768880 323345021 /nfs/dbraw/zinc/34/50/21/323345021.db2.gz PBDJZGBIQHQTCH-WDMOLILDSA-N 0 3 221.319 3.760 20 0 BHADHN C[C@@H]1C[C@@H](C)N1[C@@H]1CCc2c1cccc2Cl ZINC000547769410 325394942 /nfs/dbraw/zinc/39/49/42/325394942.db2.gz QETKXYRTGVWWGQ-GPCCPHFNSA-N 0 3 235.758 3.810 20 0 BHADHN C[C@@H]1C[C@H](C)N1[C@@H]1CCc2c1cccc2Cl ZINC000547769411 325395025 /nfs/dbraw/zinc/39/50/25/325395025.db2.gz QETKXYRTGVWWGQ-ISTVAULSSA-N 0 3 235.758 3.810 20 0 BHADHN C[C@@H]1C[C@H](C)N1[C@H]1CCc2c1cccc2Cl ZINC000547769412 325395038 /nfs/dbraw/zinc/39/50/38/325395038.db2.gz QETKXYRTGVWWGQ-RBZYPMLTSA-N 0 3 235.758 3.810 20 0 BHADHN C[C@@H]1C[C@@H](C)N1[C@H]1CCc2c1cccc2Cl ZINC000547769413 325394766 /nfs/dbraw/zinc/39/47/66/325394766.db2.gz QETKXYRTGVWWGQ-RULNRJAQSA-N 0 3 235.758 3.810 20 0 BHADHN C[C@@H]1C[C@H](C)N1Cc1ccc(C(F)F)cc1 ZINC000547770066 325395564 /nfs/dbraw/zinc/39/55/64/325395564.db2.gz BCNYTSJOSSDJAZ-AOOOYVTPSA-N 0 3 225.282 3.607 20 0 BHADHN C[C@@H]1C[C@@H](C)N1Cc1ccc(C(F)F)cc1 ZINC000547770067 325395461 /nfs/dbraw/zinc/39/54/61/325395461.db2.gz BCNYTSJOSSDJAZ-NXEZZACHSA-N 0 3 225.282 3.607 20 0 BHADHN C[C@H]1C[C@H](C)N1Cc1ccc(C(F)F)cc1 ZINC000547770068 325395687 /nfs/dbraw/zinc/39/56/87/325395687.db2.gz BCNYTSJOSSDJAZ-UWVGGRQHSA-N 0 3 225.282 3.607 20 0 BHADHN CCC(C)(C)N(C)Cc1cccc(F)c1F ZINC000547771960 325395963 /nfs/dbraw/zinc/39/59/63/325395963.db2.gz HXVMQLQZKPTCEI-UHFFFAOYSA-N 0 3 227.298 3.585 20 0 BHADHN CCCc1cccc(CNCCOC(C)(C)C)c1 ZINC000547822427 325404744 /nfs/dbraw/zinc/40/47/44/325404744.db2.gz BHIBLUGHVGWNOZ-UHFFFAOYSA-N 0 3 249.398 3.544 20 0 BHADHN C[C@@H]1CCCCCN1Cc1ccccc1F ZINC000547928389 388495804 /nfs/dbraw/zinc/49/58/04/388495804.db2.gz DCOOZVPONZLYKH-GFCCVEGCSA-N 0 3 221.319 3.590 20 0 BHADHN C[C@H]1CCCCCN1Cc1ccccc1F ZINC000547928390 388495363 /nfs/dbraw/zinc/49/53/63/388495363.db2.gz DCOOZVPONZLYKH-LBPRGKRZSA-N 0 3 221.319 3.590 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccc2ncsc2c1 ZINC000547947637 325413752 /nfs/dbraw/zinc/41/37/52/325413752.db2.gz DXUVOCAYNXBKAX-LLVKDONJSA-N 0 3 246.379 3.913 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccc2ncsc2c1 ZINC000547947640 388497790 /nfs/dbraw/zinc/49/77/90/388497790.db2.gz DXUVOCAYNXBKAX-NSHDSACASA-N 0 3 246.379 3.913 20 0 BHADHN C[C@@H]1CN(Cc2c(F)cccc2F)C(C)(C)C1 ZINC000548066370 388508434 /nfs/dbraw/zinc/50/84/34/388508434.db2.gz CBTZEPOPIBGQAM-JTQLQIEISA-N 0 3 239.309 3.585 20 0 BHADHN C[C@H]1CN(Cc2c(F)cccc2F)C(C)(C)C1 ZINC000548066371 388508679 /nfs/dbraw/zinc/50/86/79/388508679.db2.gz CBTZEPOPIBGQAM-SNVBAGLBSA-N 0 3 239.309 3.585 20 0 BHADHN C[C@@H](c1cccc(Cl)c1)N1[C@H](C)C[C@@H]1C ZINC000548096591 388511358 /nfs/dbraw/zinc/51/13/58/388511358.db2.gz KUUWZRQGBNAZJR-AXFHLTTASA-N 0 3 223.747 3.884 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1[C@H](C)C[C@H]1C ZINC000548096592 325428900 /nfs/dbraw/zinc/42/89/00/325428900.db2.gz KUUWZRQGBNAZJR-GMTAPVOTSA-N 0 3 223.747 3.884 20 0 BHADHN C[C@@H](c1cccc(Cl)c1)N1[C@H](C)C[C@H]1C ZINC000548096593 325428700 /nfs/dbraw/zinc/42/87/00/325428700.db2.gz KUUWZRQGBNAZJR-MXWKQRLJSA-N 0 3 223.747 3.884 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1[C@H](C)C[C@@H]1C ZINC000548096594 388509368 /nfs/dbraw/zinc/50/93/68/388509368.db2.gz KUUWZRQGBNAZJR-OUAUKWLOSA-N 0 3 223.747 3.884 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)N1[C@H](C)C[C@@H]1C ZINC000548097419 388510729 /nfs/dbraw/zinc/51/07/29/388510729.db2.gz APWXFBUBDVHRMJ-AXFHLTTASA-N 0 3 223.747 3.884 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1[C@H](C)C[C@H]1C ZINC000548097420 388511437 /nfs/dbraw/zinc/51/14/37/388511437.db2.gz APWXFBUBDVHRMJ-GMTAPVOTSA-N 0 3 223.747 3.884 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)N1[C@H](C)C[C@H]1C ZINC000548097421 388510943 /nfs/dbraw/zinc/51/09/43/388510943.db2.gz APWXFBUBDVHRMJ-MXWKQRLJSA-N 0 3 223.747 3.884 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1[C@H](C)C[C@@H]1C ZINC000548097422 388511378 /nfs/dbraw/zinc/51/13/78/388511378.db2.gz APWXFBUBDVHRMJ-OUAUKWLOSA-N 0 3 223.747 3.884 20 0 BHADHN C[C@@H]1C[C@@H](C)N1[C@H]1CCCc2ccc(F)cc21 ZINC000548098668 325430156 /nfs/dbraw/zinc/43/01/56/325430156.db2.gz VVANQDPSKTWYNA-HFAKWTLXSA-N 0 3 233.330 3.686 20 0 BHADHN C[C@@H]1C[C@H](C)N1[C@@H]1CCCc2ccc(F)cc21 ZINC000548098669 388511935 /nfs/dbraw/zinc/51/19/35/388511935.db2.gz VVANQDPSKTWYNA-JRPNMDOOSA-N 0 3 233.330 3.686 20 0 BHADHN C[C@@H]1C[C@H](C)N1[C@H]1CCCc2ccc(F)cc21 ZINC000548098670 388512584 /nfs/dbraw/zinc/51/25/84/388512584.db2.gz VVANQDPSKTWYNA-RWSFTLGLSA-N 0 3 233.330 3.686 20 0 BHADHN C[C@@H]1C[C@@H](C)N1[C@@H]1CCCc2ccc(F)cc21 ZINC000548098671 388511733 /nfs/dbraw/zinc/51/17/33/388511733.db2.gz VVANQDPSKTWYNA-UEKVPHQBSA-N 0 3 233.330 3.686 20 0 BHADHN C[C@@H]1CCN(Cc2ccc(Cl)s2)[C@H]1C ZINC000548114111 388513555 /nfs/dbraw/zinc/51/35/55/388513555.db2.gz UTKVHRPCGCWTQT-BDAKNGLRSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1ccc(Cl)s1 ZINC000548114112 388513998 /nfs/dbraw/zinc/51/39/98/388513998.db2.gz UTKVHRPCGCWTQT-DTWKUNHWSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H]1CCN(Cc2ccc(Cl)s2)[C@H]1C ZINC000548114113 388513713 /nfs/dbraw/zinc/51/37/13/388513713.db2.gz UTKVHRPCGCWTQT-IUCAKERBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1CCN(Cc2ccc(Cl)s2)[C@@H]1C ZINC000548114114 388513396 /nfs/dbraw/zinc/51/33/96/388513396.db2.gz UTKVHRPCGCWTQT-RKDXNWHRSA-N 0 3 229.776 3.632 20 0 BHADHN CC(C)=CCN1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000548168644 387296205 /nfs/dbraw/zinc/29/62/05/387296205.db2.gz GVNDYZVMTUARMB-GHMZBOCLSA-N 0 3 235.293 3.615 20 0 BHADHN CC(C)=CCN1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000548168645 387294911 /nfs/dbraw/zinc/29/49/11/387294911.db2.gz GVNDYZVMTUARMB-MNOVXSKESA-N 0 3 235.293 3.615 20 0 BHADHN CC(C)=CCN1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000548168646 387296109 /nfs/dbraw/zinc/29/61/09/387296109.db2.gz GVNDYZVMTUARMB-QWRGUYRKSA-N 0 3 235.293 3.615 20 0 BHADHN CC(C)=CCN1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000548168647 387295843 /nfs/dbraw/zinc/29/58/43/387295843.db2.gz GVNDYZVMTUARMB-WDEREUQCSA-N 0 3 235.293 3.615 20 0 BHADHN C[C@@H]1CCCCCN1Cc1cccc(F)c1F ZINC000548259201 388522983 /nfs/dbraw/zinc/52/29/83/388522983.db2.gz YPNXQSQSKAMNAU-LLVKDONJSA-N 0 3 239.309 3.729 20 0 BHADHN C[C@H]1CCCCCN1Cc1cccc(F)c1F ZINC000548259202 388523083 /nfs/dbraw/zinc/52/30/83/388523083.db2.gz YPNXQSQSKAMNAU-NSHDSACASA-N 0 3 239.309 3.729 20 0 BHADHN CC(C)=CCN1CCC(c2ccsc2)CC1 ZINC000548267725 388524316 /nfs/dbraw/zinc/52/43/16/388524316.db2.gz PEJVBQRARJGHIX-UHFFFAOYSA-N 0 3 235.396 3.894 20 0 BHADHN C[C@@H]1C[C@H](C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000548425169 388536459 /nfs/dbraw/zinc/53/64/59/388536459.db2.gz SSECRXJEOFSMHW-AOOOYVTPSA-N 0 3 243.272 3.688 20 0 BHADHN C[C@@H]1C[C@@H](C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000548425170 325456241 /nfs/dbraw/zinc/45/62/41/325456241.db2.gz SSECRXJEOFSMHW-NXEZZACHSA-N 0 3 243.272 3.688 20 0 BHADHN C[C@H]1C[C@H](C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000548425171 388537527 /nfs/dbraw/zinc/53/75/27/388537527.db2.gz SSECRXJEOFSMHW-UWVGGRQHSA-N 0 3 243.272 3.688 20 0 BHADHN Cc1cc(CN2[C@H](C)C[C@@H]2C)c2ccccc2n1 ZINC000548425555 388537398 /nfs/dbraw/zinc/53/73/98/388537398.db2.gz QGUVUAUANQVNIL-BETUJISGSA-N 0 3 240.350 3.526 20 0 BHADHN Cc1cc(CN2[C@H](C)C[C@H]2C)c2ccccc2n1 ZINC000548425558 388536642 /nfs/dbraw/zinc/53/66/42/388536642.db2.gz QGUVUAUANQVNIL-CHWSQXEVSA-N 0 3 240.350 3.526 20 0 BHADHN Cc1cc(CN2[C@@H](C)C[C@@H]2C)c2ccccc2n1 ZINC000548425560 388536526 /nfs/dbraw/zinc/53/65/26/388536526.db2.gz QGUVUAUANQVNIL-STQMWFEESA-N 0 3 240.350 3.526 20 0 BHADHN C[C@@H]1C[C@@H](C)N1[C@@H]1CCc2ccc(Cl)cc21 ZINC000548426153 325456835 /nfs/dbraw/zinc/45/68/35/325456835.db2.gz VUHBMHGGJWZSHP-GPCCPHFNSA-N 0 3 235.758 3.810 20 0 BHADHN C[C@@H]1C[C@H](C)N1[C@@H]1CCc2ccc(Cl)cc21 ZINC000548426154 388536296 /nfs/dbraw/zinc/53/62/96/388536296.db2.gz VUHBMHGGJWZSHP-ISTVAULSSA-N 0 3 235.758 3.810 20 0 BHADHN C[C@@H]1C[C@H](C)N1[C@H]1CCc2ccc(Cl)cc21 ZINC000548426155 388536666 /nfs/dbraw/zinc/53/66/66/388536666.db2.gz VUHBMHGGJWZSHP-RBZYPMLTSA-N 0 3 235.758 3.810 20 0 BHADHN C[C@@H]1C[C@@H](C)N1[C@H]1CCc2ccc(Cl)cc21 ZINC000548426156 388537030 /nfs/dbraw/zinc/53/70/30/388537030.db2.gz VUHBMHGGJWZSHP-RULNRJAQSA-N 0 3 235.758 3.810 20 0 BHADHN Cc1cc(F)ccc1CN1CCCC[C@H]1C ZINC000548484442 388543806 /nfs/dbraw/zinc/54/38/06/388543806.db2.gz PXXRHFZGQAIDKC-GFCCVEGCSA-N 0 3 221.319 3.509 20 0 BHADHN Cc1cc(F)ccc1CN1CCCC[C@@H]1C ZINC000548484443 388543740 /nfs/dbraw/zinc/54/37/40/388543740.db2.gz PXXRHFZGQAIDKC-LBPRGKRZSA-N 0 3 221.319 3.509 20 0 BHADHN Cc1ccccc1[C@@H](C)NC[C@@H](C)C(F)(F)F ZINC000548486044 388543832 /nfs/dbraw/zinc/54/38/32/388543832.db2.gz DCDLWIVLVIQUBP-GHMZBOCLSA-N 0 3 245.288 3.844 20 0 BHADHN Cc1ccccc1[C@H](C)NC[C@@H](C)C(F)(F)F ZINC000548486045 325463362 /nfs/dbraw/zinc/46/33/62/325463362.db2.gz DCDLWIVLVIQUBP-MNOVXSKESA-N 0 3 245.288 3.844 20 0 BHADHN Cc1ccccc1[C@H](C)NC[C@H](C)C(F)(F)F ZINC000548486046 325463311 /nfs/dbraw/zinc/46/33/11/325463311.db2.gz DCDLWIVLVIQUBP-QWRGUYRKSA-N 0 3 245.288 3.844 20 0 BHADHN Cc1ccccc1[C@@H](C)NC[C@H](C)C(F)(F)F ZINC000548486047 388543653 /nfs/dbraw/zinc/54/36/53/388543653.db2.gz DCDLWIVLVIQUBP-WDEREUQCSA-N 0 3 245.288 3.844 20 0 BHADHN CC(C)=CCN1Cc2ccccc2C2(CC2)C1 ZINC000548497485 388544614 /nfs/dbraw/zinc/54/46/14/388544614.db2.gz ZLTZVQOZTIQCGR-UHFFFAOYSA-N 0 3 227.351 3.500 20 0 BHADHN C[C@H]1CCCCCN1Cc1ccc(Cl)o1 ZINC000548587416 388547501 /nfs/dbraw/zinc/54/75/01/388547501.db2.gz PZJQQAFXHZJXIS-JTQLQIEISA-N 0 3 227.735 3.698 20 0 BHADHN C[C@@H]1CCCCCN1Cc1ccc(Cl)o1 ZINC000548587417 388547396 /nfs/dbraw/zinc/54/73/96/388547396.db2.gz PZJQQAFXHZJXIS-SNVBAGLBSA-N 0 3 227.735 3.698 20 0 BHADHN CC(C)=CCN(C)CC1(c2ccccc2)CC1 ZINC000548729336 388555077 /nfs/dbraw/zinc/55/50/77/388555077.db2.gz ONZNUBILRNCOEL-UHFFFAOYSA-N 0 3 229.367 3.616 20 0 BHADHN C[C@@H]1C[C@@H](C)N1C/C=C/c1ccc(Cl)cc1 ZINC000548753308 325478192 /nfs/dbraw/zinc/47/81/92/325478192.db2.gz QEQTYTLRMNETGL-BLDJZWNYSA-N 0 3 235.758 3.836 20 0 BHADHN C[C@@H]1C[C@@H](C)N1C/C=C\c1ccc(Cl)cc1 ZINC000548753326 388557947 /nfs/dbraw/zinc/55/79/47/388557947.db2.gz QEQTYTLRMNETGL-OPVGQWETSA-N 0 3 235.758 3.836 20 0 BHADHN C[C@@H]1C[C@H](C)N1C/C=C/c1ccc(Cl)cc1 ZINC000548753327 388557674 /nfs/dbraw/zinc/55/76/74/388557674.db2.gz QEQTYTLRMNETGL-ROUHBEFFSA-N 0 3 235.758 3.836 20 0 BHADHN C[C@@H]1C[C@H](C)N1C/C=C\c1ccc(Cl)cc1 ZINC000548753328 388556877 /nfs/dbraw/zinc/55/68/77/388556877.db2.gz QEQTYTLRMNETGL-XVGAQQEPSA-N 0 3 235.758 3.836 20 0 BHADHN C[C@H]1C[C@H](C)N1CCCc1ccccc1Cl ZINC000548754894 325479001 /nfs/dbraw/zinc/47/90/01/325479001.db2.gz WZKZTZUBOUYOJI-RYUDHWBXSA-N 0 3 237.774 3.755 20 0 BHADHN C[C@@H]1C[C@H](C)N1CCCc1ccccc1Cl ZINC000548754899 388557492 /nfs/dbraw/zinc/55/74/92/388557492.db2.gz WZKZTZUBOUYOJI-TXEJJXNPSA-N 0 3 237.774 3.755 20 0 BHADHN C[C@@H]1C[C@@H](C)N1CCCc1ccccc1Cl ZINC000548754900 388557197 /nfs/dbraw/zinc/55/71/97/388557197.db2.gz WZKZTZUBOUYOJI-VXGBXAGGSA-N 0 3 237.774 3.755 20 0 BHADHN CCC(C)(C)N(C)Cc1ccc(F)cc1F ZINC000548755508 388556826 /nfs/dbraw/zinc/55/68/26/388556826.db2.gz BUZFKTORKPJKOP-UHFFFAOYSA-N 0 3 227.298 3.585 20 0 BHADHN CSc1ccccc1CN(C)CC=C(C)C ZINC000548755546 388557585 /nfs/dbraw/zinc/55/75/85/388557585.db2.gz QHJIFNYCDNQCBH-UHFFFAOYSA-N 0 3 235.396 3.807 20 0 BHADHN Cc1ccccc1[C@]1(F)CCN(CC2(C)CC2)C1 ZINC000548796245 388562814 /nfs/dbraw/zinc/56/28/14/388562814.db2.gz QETBVOOPWOSEFL-INIZCTEOSA-N 0 3 247.357 3.666 20 0 BHADHN Cc1ccccc1[C@@]1(F)CCN(CC2(C)CC2)C1 ZINC000548796246 388563555 /nfs/dbraw/zinc/56/35/55/388563555.db2.gz QETBVOOPWOSEFL-MRXNPFEDSA-N 0 3 247.357 3.666 20 0 BHADHN CCC[C@@H](C)N1CCO[C@@H](c2ccccc2C)C1 ZINC000548843951 388564222 /nfs/dbraw/zinc/56/42/22/388564222.db2.gz XLMBMMMSMRIJPN-GDBMZVCRSA-N 0 3 247.382 3.557 20 0 BHADHN CCC[C@H](C)N1CCO[C@@H](c2ccccc2C)C1 ZINC000548843952 388564179 /nfs/dbraw/zinc/56/41/79/388564179.db2.gz XLMBMMMSMRIJPN-GOEBONIOSA-N 0 3 247.382 3.557 20 0 BHADHN CCC[C@H](C)N1CCO[C@H](c2ccccc2C)C1 ZINC000548843953 388564883 /nfs/dbraw/zinc/56/48/83/388564883.db2.gz XLMBMMMSMRIJPN-HOCLYGCPSA-N 0 3 247.382 3.557 20 0 BHADHN CCC[C@@H](C)N1CCO[C@H](c2ccccc2C)C1 ZINC000548843954 388564442 /nfs/dbraw/zinc/56/44/42/388564442.db2.gz XLMBMMMSMRIJPN-ZBFHGGJFSA-N 0 3 247.382 3.557 20 0 BHADHN c1c2ccccc2oc1CN[C@H]1CCC12CCC2 ZINC000548859781 325488725 /nfs/dbraw/zinc/48/87/25/325488725.db2.gz LNIKYUCNKCJYRS-HNNXBMFYSA-N 0 3 241.334 3.855 20 0 BHADHN c1c2ccccc2oc1CN[C@@H]1CCC12CCC2 ZINC000548859782 325488618 /nfs/dbraw/zinc/48/86/18/325488618.db2.gz LNIKYUCNKCJYRS-OAHLLOKOSA-N 0 3 241.334 3.855 20 0 BHADHN Cc1ccccc1CNCC(C)(C)C(F)(F)F ZINC000548860015 325488684 /nfs/dbraw/zinc/48/86/84/325488684.db2.gz JSPNRSYRBYWTFE-UHFFFAOYSA-N 0 3 245.288 3.673 20 0 BHADHN Cc1ccc(CCN[C@H](C)c2cc(C)c(C)o2)o1 ZINC000548860669 388565344 /nfs/dbraw/zinc/56/53/44/388565344.db2.gz COPHFXWZWFHJDD-GFCCVEGCSA-N 0 3 247.338 3.691 20 0 BHADHN Cc1ccc(CCN[C@@H](C)c2cc(C)c(C)o2)o1 ZINC000548860670 388565372 /nfs/dbraw/zinc/56/53/72/388565372.db2.gz COPHFXWZWFHJDD-LBPRGKRZSA-N 0 3 247.338 3.691 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCC23CCC3)o1 ZINC000548860721 342732714 /nfs/dbraw/zinc/73/27/14/342732714.db2.gz HVLPGKSWUJNLSI-KYOSRNDESA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCC23CCC3)o1 ZINC000548860722 342732919 /nfs/dbraw/zinc/73/29/19/342732919.db2.gz HVLPGKSWUJNLSI-OSAQELSMSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCC23CCC3)o1 ZINC000548860723 342732927 /nfs/dbraw/zinc/73/29/27/342732927.db2.gz HVLPGKSWUJNLSI-UXIGCNINSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCC23CCC3)o1 ZINC000548860724 342733038 /nfs/dbraw/zinc/73/30/38/342733038.db2.gz HVLPGKSWUJNLSI-ZLDLUXBVSA-N 0 3 245.366 3.825 20 0 BHADHN CC(C)SCCN1CCc2ccccc2[C@H]1C ZINC000548918829 398138928 /nfs/dbraw/zinc/13/89/28/398138928.db2.gz ZFHZSPSGXZXGGK-CYBMUJFWSA-N 0 3 249.423 3.747 20 0 BHADHN CC(C)SCCN1CCc2ccccc2[C@@H]1C ZINC000548918841 398139143 /nfs/dbraw/zinc/13/91/43/398139143.db2.gz ZFHZSPSGXZXGGK-ZDUSSCGKSA-N 0 3 249.423 3.747 20 0 BHADHN CC1=C(C)CN(C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000548937086 388569782 /nfs/dbraw/zinc/56/97/82/388569782.db2.gz UJPWKIQGUWHDNH-HNNXBMFYSA-N 0 3 249.398 3.520 20 0 BHADHN CC1=C(C)CN(C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000548937087 388569677 /nfs/dbraw/zinc/56/96/77/388569677.db2.gz UJPWKIQGUWHDNH-OAHLLOKOSA-N 0 3 249.398 3.520 20 0 BHADHN CC(C)(CNCc1cccc(F)c1)C(F)(F)F ZINC000548975482 325493951 /nfs/dbraw/zinc/49/39/51/325493951.db2.gz UYNNWHYWSYXLHQ-UHFFFAOYSA-N 0 3 249.251 3.504 20 0 BHADHN Fc1ccccc1C1(N[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000549041015 325495577 /nfs/dbraw/zinc/49/55/77/325495577.db2.gz RTQMLJBAWCRXII-YWPYICTPSA-N 0 3 245.341 3.593 20 0 BHADHN Fc1ccccc1C1(N[C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000549041016 388571043 /nfs/dbraw/zinc/57/10/43/388571043.db2.gz RTQMLJBAWCRXII-ZOWXZIJZSA-N 0 3 245.341 3.593 20 0 BHADHN CCN(Cc1sccc1Cl)CC(C)C ZINC000549041407 388571629 /nfs/dbraw/zinc/57/16/29/388571629.db2.gz DKMVCTKWRCTKFD-UHFFFAOYSA-N 0 3 231.792 3.879 20 0 BHADHN CC[C@@H]1CCCN1Cc1sccc1Cl ZINC000549041562 388571869 /nfs/dbraw/zinc/57/18/69/388571869.db2.gz OGHKNCALCPCXEH-SECBINFHSA-N 0 3 229.776 3.776 20 0 BHADHN CC[C@H]1CCCN1Cc1sccc1Cl ZINC000549041563 388571721 /nfs/dbraw/zinc/57/17/21/388571721.db2.gz OGHKNCALCPCXEH-VIFPVBQESA-N 0 3 229.776 3.776 20 0 BHADHN CC(C)[C@@H](C)N(C)Cc1sccc1Cl ZINC000549041857 388571220 /nfs/dbraw/zinc/57/12/20/388571220.db2.gz WNWGDDGEMUPBMF-SECBINFHSA-N 0 3 231.792 3.878 20 0 BHADHN CC(C)[C@H](C)N(C)Cc1sccc1Cl ZINC000549041858 388570901 /nfs/dbraw/zinc/57/09/01/388570901.db2.gz WNWGDDGEMUPBMF-VIFPVBQESA-N 0 3 231.792 3.878 20 0 BHADHN C/C(=C\c1ccccc1)CNCc1cccs1 ZINC000549178140 388574359 /nfs/dbraw/zinc/57/43/59/388574359.db2.gz KBWFRPLROGQYQW-JLHYYAGUSA-N 0 3 243.375 3.941 20 0 BHADHN C/C(=C\c1ccccc1)CN[C@@H]1CSC1(C)C ZINC000549268709 388575717 /nfs/dbraw/zinc/57/57/17/388575717.db2.gz NMNMWNLLGPUFFY-BRADTZPFSA-N 0 3 247.407 3.574 20 0 BHADHN C/C(=C/c1ccccc1)CN[C@@H]1CSC1(C)C ZINC000549268711 388575411 /nfs/dbraw/zinc/57/54/11/388575411.db2.gz NMNMWNLLGPUFFY-FWLQQBITSA-N 0 3 247.407 3.574 20 0 BHADHN C/C(=C\c1ccccc1)CN[C@H]1CSC1(C)C ZINC000549268713 325499468 /nfs/dbraw/zinc/49/94/68/325499468.db2.gz NMNMWNLLGPUFFY-TZIYXEQSSA-N 0 3 247.407 3.574 20 0 BHADHN C/C(=C/c1ccccc1)CN[C@H]1CSC1(C)C ZINC000549268714 388575597 /nfs/dbraw/zinc/57/55/97/388575597.db2.gz NMNMWNLLGPUFFY-UQTJOTSZSA-N 0 3 247.407 3.574 20 0 BHADHN CCc1ccc(CN(C)CC2CCCCC2)nc1 ZINC000549344498 388576722 /nfs/dbraw/zinc/57/67/22/388576722.db2.gz NNBFKIPVYAIFMZ-UHFFFAOYSA-N 0 3 246.398 3.656 20 0 BHADHN CC1(C)CCN(Cc2sccc2Cl)C1 ZINC000549349000 388577764 /nfs/dbraw/zinc/57/77/64/388577764.db2.gz PFUUCWBOEZYVGE-UHFFFAOYSA-N 0 3 229.776 3.633 20 0 BHADHN CCc1ccc(CN(CCC(C)C)C2CC2)nc1 ZINC000549366560 388577625 /nfs/dbraw/zinc/57/76/25/388577625.db2.gz OLZYCCRHGRZGKD-UHFFFAOYSA-N 0 3 246.398 3.655 20 0 BHADHN Cc1occc1CN(C)[C@H]1C=CCCCCC1 ZINC000549367081 388577979 /nfs/dbraw/zinc/57/79/79/388577979.db2.gz WZRVLYMOIPKLRA-HNNXBMFYSA-N 0 3 233.355 3.909 20 0 BHADHN Cc1occc1CN(C)[C@@H]1C=CCCCCC1 ZINC000549367082 388578043 /nfs/dbraw/zinc/57/80/43/388578043.db2.gz WZRVLYMOIPKLRA-OAHLLOKOSA-N 0 3 233.355 3.909 20 0 BHADHN CCCN(CC)Cc1ccc(C(C)C)nc1CC ZINC000549367121 388577811 /nfs/dbraw/zinc/57/78/11/388577811.db2.gz YRGNXDVAWAHPFC-UHFFFAOYSA-N 0 3 248.414 3.999 20 0 BHADHN CC(C)COc1ccccc1CN1CCCCC1 ZINC000549377767 325501609 /nfs/dbraw/zinc/50/16/09/325501609.db2.gz OJQQZFMLJLCESY-UHFFFAOYSA-N 0 3 247.382 3.707 20 0 BHADHN CN(CCC(F)(F)F)[C@@H]1C=CCCCCC1 ZINC000549405363 388578467 /nfs/dbraw/zinc/57/84/67/388578467.db2.gz MVXIRFQTKXOXQP-LLVKDONJSA-N 0 3 235.293 3.760 20 0 BHADHN CN(CCC(F)(F)F)[C@H]1C=CCCCCC1 ZINC000549405364 388578634 /nfs/dbraw/zinc/57/86/34/388578634.db2.gz MVXIRFQTKXOXQP-NSHDSACASA-N 0 3 235.293 3.760 20 0 BHADHN CC(C)CCOc1ccc(CN2CC(C)C2)cc1 ZINC000549410344 325502652 /nfs/dbraw/zinc/50/26/52/325502652.db2.gz ZAGWUNXUMZFKSW-UHFFFAOYSA-N 0 3 247.382 3.563 20 0 BHADHN CN(Cc1cccc(F)c1Cl)CC1CCC1 ZINC000549446492 388580702 /nfs/dbraw/zinc/58/07/02/388580702.db2.gz TZHDSOYJVQGLIC-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CCC[C@H]1CCCN(Cc2ccc(CC)cn2)C1 ZINC000549471425 388581271 /nfs/dbraw/zinc/58/12/71/388581271.db2.gz LHYBAOHBAZGORP-HNNXBMFYSA-N 0 3 246.398 3.656 20 0 BHADHN CCC[C@@H]1CCCN(Cc2ccc(CC)cn2)C1 ZINC000549471433 388581610 /nfs/dbraw/zinc/58/16/10/388581610.db2.gz LHYBAOHBAZGORP-OAHLLOKOSA-N 0 3 246.398 3.656 20 0 BHADHN C[C@@H](CN(C)Cc1cccnc1)C1CCCCC1 ZINC000549531504 388583582 /nfs/dbraw/zinc/58/35/82/388583582.db2.gz CPKTXWZHVRNEAR-AWEZNQCLSA-N 0 3 246.398 3.730 20 0 BHADHN C[C@H](CN(C)Cc1cccnc1)C1CCCCC1 ZINC000549531505 388583144 /nfs/dbraw/zinc/58/31/44/388583144.db2.gz CPKTXWZHVRNEAR-CQSZACIVSA-N 0 3 246.398 3.730 20 0 BHADHN CCc1ccc(CN2C[C@H](C)CC(C)(C)C2)nc1 ZINC000549545506 388584746 /nfs/dbraw/zinc/58/47/46/388584746.db2.gz XIWWLNQGAGLOGC-CYBMUJFWSA-N 0 3 246.398 3.512 20 0 BHADHN CCc1ccc(CN2C[C@@H](C)CC(C)(C)C2)nc1 ZINC000549545507 388584023 /nfs/dbraw/zinc/58/40/23/388584023.db2.gz XIWWLNQGAGLOGC-ZDUSSCGKSA-N 0 3 246.398 3.512 20 0 BHADHN CC(C)CC[C@@H](N[C@H](C)c1ccon1)C1CC1 ZINC000549610421 388585706 /nfs/dbraw/zinc/58/57/06/388585706.db2.gz MNFVFNIEGXVGNL-BXUZGUMPSA-N 0 3 236.359 3.540 20 0 BHADHN CC(C)CC[C@H](N[C@@H](C)c1ccon1)C1CC1 ZINC000549610422 388585691 /nfs/dbraw/zinc/58/56/91/388585691.db2.gz MNFVFNIEGXVGNL-FZMZJTMJSA-N 0 3 236.359 3.540 20 0 BHADHN CC(C)CC[C@H](N[C@H](C)c1ccon1)C1CC1 ZINC000549610423 325510099 /nfs/dbraw/zinc/51/00/99/325510099.db2.gz MNFVFNIEGXVGNL-RISCZKNCSA-N 0 3 236.359 3.540 20 0 BHADHN CC(C)CC[C@@H](N[C@@H](C)c1ccon1)C1CC1 ZINC000549610424 388585280 /nfs/dbraw/zinc/58/52/80/388585280.db2.gz MNFVFNIEGXVGNL-SMDDNHRTSA-N 0 3 236.359 3.540 20 0 BHADHN CCCCN(C)Cc1ccccc1OCC(C)C ZINC000549781010 388591776 /nfs/dbraw/zinc/59/17/76/388591776.db2.gz CZHUTDHKBJGRHR-UHFFFAOYSA-N 0 3 249.398 3.953 20 0 BHADHN CC(C)COc1ccccc1CN(C)CC1CC1 ZINC000549781360 388591577 /nfs/dbraw/zinc/59/15/77/388591577.db2.gz HQWVUGCNMNDVON-UHFFFAOYSA-N 0 3 247.382 3.563 20 0 BHADHN Cc1ccc(-c2ccc(CN3CC(C)C3)o2)cc1 ZINC000549810936 388591868 /nfs/dbraw/zinc/59/18/68/388591868.db2.gz ZTPFVJLBCAZPSL-UHFFFAOYSA-N 0 3 241.334 3.707 20 0 BHADHN CCc1ccc(CN(C2CC2)C2CCCC2)nc1 ZINC000549821963 388592563 /nfs/dbraw/zinc/59/25/63/388592563.db2.gz KQKBYIBLKYFRMB-UHFFFAOYSA-N 0 3 244.382 3.551 20 0 BHADHN C[C@@H](F)CCNCc1ccc(-c2ccccc2)o1 ZINC000549876296 388594060 /nfs/dbraw/zinc/59/40/60/388594060.db2.gz CUJUEQXVXOXTPG-GFCCVEGCSA-N 0 3 247.313 3.784 20 0 BHADHN C[C@H](F)CCNCc1ccc(-c2ccccc2)o1 ZINC000549876297 388593866 /nfs/dbraw/zinc/59/38/66/388593866.db2.gz CUJUEQXVXOXTPG-LBPRGKRZSA-N 0 3 247.313 3.784 20 0 BHADHN C[C@@H]1CN([C@H]2CCc3ccc(Cl)cc32)[C@H]1C ZINC000549921424 388595014 /nfs/dbraw/zinc/59/50/14/388595014.db2.gz FYBCEHUDAAFBQP-BFVZDQMLSA-N 0 3 235.758 3.668 20 0 BHADHN C[C@@H]1CN([C@@H]2CCc3ccc(Cl)cc32)[C@@H]1C ZINC000549921425 388594892 /nfs/dbraw/zinc/59/48/92/388594892.db2.gz FYBCEHUDAAFBQP-GPCCPHFNSA-N 0 3 235.758 3.668 20 0 BHADHN C[C@@H]1CN([C@@H]2CCc3ccc(Cl)cc32)[C@H]1C ZINC000549921426 388594426 /nfs/dbraw/zinc/59/44/26/388594426.db2.gz FYBCEHUDAAFBQP-ISTVAULSSA-N 0 3 235.758 3.668 20 0 BHADHN C[C@@H]1CN([C@H]2CCc3ccc(Cl)cc32)[C@@H]1C ZINC000549921427 388595062 /nfs/dbraw/zinc/59/50/62/388595062.db2.gz FYBCEHUDAAFBQP-RULNRJAQSA-N 0 3 235.758 3.668 20 0 BHADHN CC[C@H](c1ccc(F)cc1)N1C[C@H](C)[C@@H]1C ZINC000549921636 388594763 /nfs/dbraw/zinc/59/47/63/388594763.db2.gz JDHIKLZWYGFRTP-COPLHBTASA-N 0 3 221.319 3.617 20 0 BHADHN CC[C@H](c1ccc(F)cc1)N1C[C@@H](C)[C@H]1C ZINC000549921637 388594660 /nfs/dbraw/zinc/59/46/60/388594660.db2.gz JDHIKLZWYGFRTP-JTNHKYCSSA-N 0 3 221.319 3.617 20 0 BHADHN CC[C@H](c1ccc(F)cc1)N1C[C@H](C)[C@H]1C ZINC000549921638 388594446 /nfs/dbraw/zinc/59/44/46/388594446.db2.gz JDHIKLZWYGFRTP-MISXGVKJSA-N 0 3 221.319 3.617 20 0 BHADHN CC[C@H](c1ccc(F)cc1)N1C[C@@H](C)[C@@H]1C ZINC000549921639 388594800 /nfs/dbraw/zinc/59/48/00/388594800.db2.gz JDHIKLZWYGFRTP-UHIISALHSA-N 0 3 221.319 3.617 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1C[C@@H](C)[C@H]1C ZINC000549923553 388595514 /nfs/dbraw/zinc/59/55/14/388595514.db2.gz GYJVQNWHSBLIFY-GMTAPVOTSA-N 0 3 223.747 3.741 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)N1C[C@@H](C)[C@H]1C ZINC000549923559 388595425 /nfs/dbraw/zinc/59/54/25/388595425.db2.gz GYJVQNWHSBLIFY-MXWKQRLJSA-N 0 3 223.747 3.741 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1C[C@@H](C)[C@@H]1C ZINC000549923560 388595506 /nfs/dbraw/zinc/59/55/06/388595506.db2.gz GYJVQNWHSBLIFY-OUAUKWLOSA-N 0 3 223.747 3.741 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)N1C[C@@H](C)[C@@H]1C ZINC000549923561 388595333 /nfs/dbraw/zinc/59/53/33/388595333.db2.gz GYJVQNWHSBLIFY-VWYCJHECSA-N 0 3 223.747 3.741 20 0 BHADHN CC(C)c1ccc(CN[C@@H]2CCC[C@@H]2F)cc1 ZINC000549935885 388595836 /nfs/dbraw/zinc/59/58/36/388595836.db2.gz GYVRYVUWECGYKY-LSDHHAIUSA-N 0 3 235.346 3.790 20 0 BHADHN Cc1cc(C)c(CN[C@H]2CCC[C@H]2F)cc1C ZINC000549936225 325520130 /nfs/dbraw/zinc/52/01/30/325520130.db2.gz RHJGLVYAYAUDPG-CABCVRRESA-N 0 3 235.346 3.592 20 0 BHADHN F[C@H]1CCC[C@H]1NCc1ccc2c(c1)CCCC2 ZINC000549936353 388595863 /nfs/dbraw/zinc/59/58/63/388595863.db2.gz UHVULJQFMBWNGV-JKSUJKDBSA-N 0 3 247.357 3.546 20 0 BHADHN F[C@@H]1CCC[C@@H]1NCc1cccc2ccccc21 ZINC000549937285 325519938 /nfs/dbraw/zinc/51/99/38/325519938.db2.gz SJZVGORODSLVQP-CVEARBPZSA-N 0 3 243.325 3.820 20 0 BHADHN F[C@@H]1CCC[C@@H]1NCc1ccc2c(c1)CCCC2 ZINC000549937742 325520089 /nfs/dbraw/zinc/52/00/89/325520089.db2.gz UHVULJQFMBWNGV-CVEARBPZSA-N 0 3 247.357 3.546 20 0 BHADHN CCCC[C@@H](C)N(CCCC)Cc1ccno1 ZINC000549988490 388596641 /nfs/dbraw/zinc/59/66/41/388596641.db2.gz TUQAOTGQDRJPFX-CYBMUJFWSA-N 0 3 238.375 3.855 20 0 BHADHN CCCC[C@H](C)N(CCCC)Cc1ccno1 ZINC000549988491 388596886 /nfs/dbraw/zinc/59/68/86/388596886.db2.gz TUQAOTGQDRJPFX-ZDUSSCGKSA-N 0 3 238.375 3.855 20 0 BHADHN CCCC[C@@H](C)N(CCCC)Cc1c[nH]cn1 ZINC000549988726 388596385 /nfs/dbraw/zinc/59/63/85/388596385.db2.gz UXTQWECEUXJOCD-CYBMUJFWSA-N 0 3 237.391 3.591 20 0 BHADHN CCCC[C@H](C)N(CCCC)Cc1c[nH]cn1 ZINC000549988727 388597117 /nfs/dbraw/zinc/59/71/17/388597117.db2.gz UXTQWECEUXJOCD-ZDUSSCGKSA-N 0 3 237.391 3.591 20 0 BHADHN CCCc1ccc(CN2CCC[C@H]2CF)cc1 ZINC000550028694 388596695 /nfs/dbraw/zinc/59/66/95/388596695.db2.gz IRYYMOGKWYGVPQ-HNNXBMFYSA-N 0 3 235.346 3.573 20 0 BHADHN CCCc1ccc(CN2CCC[C@@H]2CF)cc1 ZINC000550028695 388596613 /nfs/dbraw/zinc/59/66/13/388596613.db2.gz IRYYMOGKWYGVPQ-OAHLLOKOSA-N 0 3 235.346 3.573 20 0 BHADHN CCc1ccc(CN(CC)CC(C)(C)C)nc1 ZINC000550105685 388598522 /nfs/dbraw/zinc/59/85/22/388598522.db2.gz RKOPXZGIAXBHJJ-UHFFFAOYSA-N 0 3 234.387 3.512 20 0 BHADHN Cc1cc2cc(CNCC[C@@H](C)F)oc2cc1C ZINC000550269862 388603626 /nfs/dbraw/zinc/60/36/26/388603626.db2.gz SPIFOCDBGVKZPX-GFCCVEGCSA-N 0 3 249.329 3.887 20 0 BHADHN Cc1cc2cc(CNCC[C@H](C)F)oc2cc1C ZINC000550269863 388603107 /nfs/dbraw/zinc/60/31/07/388603107.db2.gz SPIFOCDBGVKZPX-LBPRGKRZSA-N 0 3 249.329 3.887 20 0 BHADHN CCc1nc(C(C)C)ccc1CN1C[C@@H](C)[C@H]1C ZINC000550306107 388605451 /nfs/dbraw/zinc/60/54/51/388605451.db2.gz QDSNVNUURJLAMJ-CHWSQXEVSA-N 0 3 246.398 3.608 20 0 BHADHN CCc1nc(C(C)C)ccc1CN1C[C@@H](C)[C@@H]1C ZINC000550306108 388605423 /nfs/dbraw/zinc/60/54/23/388605423.db2.gz QDSNVNUURJLAMJ-OLZOCXBDSA-N 0 3 246.398 3.608 20 0 BHADHN CCc1nc(C(C)C)ccc1CN1C[C@H](C)[C@H]1C ZINC000550306109 388605824 /nfs/dbraw/zinc/60/58/24/388605824.db2.gz QDSNVNUURJLAMJ-QWHCGFSZSA-N 0 3 246.398 3.608 20 0 BHADHN CCc1nc(C(C)C)ccc1CN1C[C@H](C)[C@@H]1C ZINC000550306110 388605278 /nfs/dbraw/zinc/60/52/78/388605278.db2.gz QDSNVNUURJLAMJ-STQMWFEESA-N 0 3 246.398 3.608 20 0 BHADHN Cc1cc(C)c(CN[C@@H]2CCC[C@@H]2F)cc1C ZINC000550320053 325528889 /nfs/dbraw/zinc/52/88/89/325528889.db2.gz RHJGLVYAYAUDPG-LSDHHAIUSA-N 0 3 235.346 3.592 20 0 BHADHN C/C(=C/c1ccccc1)CN[C@@H]1CCC[C@@H]1F ZINC000550320188 487730903 /nfs/dbraw/zinc/73/09/03/487730903.db2.gz MCVSGRWVMXOCNK-IMKYVTMTSA-N 0 3 233.330 3.570 20 0 BHADHN C/C(=C\c1ccccc1)CN[C@@H]1CCC[C@@H]1F ZINC000550320194 487730983 /nfs/dbraw/zinc/73/09/83/487730983.db2.gz MCVSGRWVMXOCNK-LNKCYATRSA-N 0 3 233.330 3.570 20 0 BHADHN F[C@H]1CCC[C@H]1NCc1cc2ccccc2s1 ZINC000550321048 325529019 /nfs/dbraw/zinc/52/90/19/325529019.db2.gz NEKPIKDGYGUXOG-QWHCGFSZSA-N 0 3 249.354 3.882 20 0 BHADHN F[C@H]1CCC[C@H]1NCc1ccc(C2CCC2)cc1 ZINC000550321545 490188079 /nfs/dbraw/zinc/18/80/79/490188079.db2.gz ZIFBNPOKTAOCHN-JKSUJKDBSA-N 0 3 247.357 3.934 20 0 BHADHN Cc1cc(C)c(CN[C@H]2CCC[C@H]2F)c(C)c1 ZINC000550322796 487730780 /nfs/dbraw/zinc/73/07/80/487730780.db2.gz KUABRIKRTLDCSD-CABCVRRESA-N 0 3 235.346 3.592 20 0 BHADHN FC[C@@H]1CCCN1Cc1ccc2ccccc2c1 ZINC000550409570 388607459 /nfs/dbraw/zinc/60/74/59/388607459.db2.gz OUEIKXFCZWDXAY-INIZCTEOSA-N 0 3 243.325 3.774 20 0 BHADHN FC[C@H]1CCCN1Cc1ccc2ccccc2c1 ZINC000550409571 388607955 /nfs/dbraw/zinc/60/79/55/388607955.db2.gz OUEIKXFCZWDXAY-MRXNPFEDSA-N 0 3 243.325 3.774 20 0 BHADHN CC1=CC[C@H](Nc2cccc(CN(C)C)c2)CC1 ZINC000550921272 325543427 /nfs/dbraw/zinc/54/34/27/325543427.db2.gz PAQFWASPGYXVJC-HNNXBMFYSA-N 0 3 244.382 3.659 20 0 BHADHN CC1=CC[C@@H](Nc2cccc(CN(C)C)c2)CC1 ZINC000550921284 388616890 /nfs/dbraw/zinc/61/68/90/388616890.db2.gz PAQFWASPGYXVJC-OAHLLOKOSA-N 0 3 244.382 3.659 20 0 BHADHN Cc1ccccc1C1CC(N[C@@H]2CCC[C@@H]2F)C1 ZINC000550927729 325543402 /nfs/dbraw/zinc/54/34/02/325543402.db2.gz DXSOFIQSRPBDCK-FPCDFSMTSA-N 0 3 247.357 3.721 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]1F)[C@H](C)C2 ZINC000550930121 325543483 /nfs/dbraw/zinc/54/34/83/325543483.db2.gz DDZAOIZFBXUHFO-CAPXZKIUSA-N 0 3 247.357 3.709 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)[C@@H](C)C2 ZINC000550930122 325543364 /nfs/dbraw/zinc/54/33/64/325543364.db2.gz DDZAOIZFBXUHFO-DANNLKNASA-N 0 3 247.357 3.709 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]1F)[C@@H](C)C2 ZINC000550930123 325543580 /nfs/dbraw/zinc/54/35/80/325543580.db2.gz DDZAOIZFBXUHFO-KSYCFECVSA-N 0 3 247.357 3.709 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)[C@H](C)C2 ZINC000550930124 388616961 /nfs/dbraw/zinc/61/69/61/388616961.db2.gz DDZAOIZFBXUHFO-MSQAHXEGSA-N 0 3 247.357 3.709 20 0 BHADHN F[C@H]1CCC[C@H]1N[C@@H]1CCCCc2ccccc21 ZINC000550930387 388617567 /nfs/dbraw/zinc/61/75/67/388617567.db2.gz GHLFQBVWXHQIBX-ARFHVFGLSA-N 0 3 247.357 3.934 20 0 BHADHN F[C@H]1CCC[C@H]1N[C@H]1CCCCc2ccccc21 ZINC000550930388 388617707 /nfs/dbraw/zinc/61/77/07/388617707.db2.gz GHLFQBVWXHQIBX-HRCADAONSA-N 0 3 247.357 3.934 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]1F)CCC2 ZINC000550932959 388617170 /nfs/dbraw/zinc/61/71/70/388617170.db2.gz YPXRPNULFRATLW-HRCADAONSA-N 0 3 247.357 3.853 20 0 BHADHN C[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000550933296 388617231 /nfs/dbraw/zinc/61/72/31/388617231.db2.gz IOPXAKWXRWBKRA-AQNFWKISSA-N 0 3 233.330 3.715 20 0 BHADHN C[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000550933297 388617132 /nfs/dbraw/zinc/61/71/32/388617132.db2.gz IOPXAKWXRWBKRA-BSLXNSKLSA-N 0 3 233.330 3.715 20 0 BHADHN C[C@H]1C[C@H](N[C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000550933298 325544006 /nfs/dbraw/zinc/54/40/06/325544006.db2.gz IOPXAKWXRWBKRA-HPEDKQMDSA-N 0 3 233.330 3.715 20 0 BHADHN F[C@@H]1CCC[C@@H]1N[C@@H](c1ccccc1)C1CC1 ZINC000550934165 388616885 /nfs/dbraw/zinc/61/68/85/388616885.db2.gz XBSBWXXNSYQHPO-ILXRZTDVSA-N 0 3 233.330 3.618 20 0 BHADHN F[C@@H]1CCC[C@@H]1N[C@H](c1ccccc1)C1CC1 ZINC000550934166 388616875 /nfs/dbraw/zinc/61/68/75/388616875.db2.gz XBSBWXXNSYQHPO-QLFBSQMISA-N 0 3 233.330 3.618 20 0 BHADHN Cc1cc([C@@H](C)NCC(C)(C)CC(C)C)no1 ZINC000550937257 388618115 /nfs/dbraw/zinc/61/81/15/388618115.db2.gz FEFFAVXHZLHJKG-GFCCVEGCSA-N 0 3 238.375 3.706 20 0 BHADHN Cc1cc([C@H](C)NCC(C)(C)CC(C)C)no1 ZINC000550937258 388618157 /nfs/dbraw/zinc/61/81/57/388618157.db2.gz FEFFAVXHZLHJKG-LBPRGKRZSA-N 0 3 238.375 3.706 20 0 BHADHN CCC[C@@H](CC)N[C@H](C)c1cn2ccccc2n1 ZINC000550939915 325543832 /nfs/dbraw/zinc/54/38/32/325543832.db2.gz GLPHDOFYSNGGGT-CHWSQXEVSA-N 0 3 245.370 3.564 20 0 BHADHN CCC[C@H](CC)N[C@H](C)c1cn2ccccc2n1 ZINC000550939916 388618247 /nfs/dbraw/zinc/61/82/47/388618247.db2.gz GLPHDOFYSNGGGT-OLZOCXBDSA-N 0 3 245.370 3.564 20 0 BHADHN CCC[C@@H](CC)N[C@@H](C)c1cn2ccccc2n1 ZINC000550939917 388618297 /nfs/dbraw/zinc/61/82/97/388618297.db2.gz GLPHDOFYSNGGGT-QWHCGFSZSA-N 0 3 245.370 3.564 20 0 BHADHN CCC[C@H](CC)N[C@@H](C)c1cn2ccccc2n1 ZINC000550939918 388618242 /nfs/dbraw/zinc/61/82/42/388618242.db2.gz GLPHDOFYSNGGGT-STQMWFEESA-N 0 3 245.370 3.564 20 0 BHADHN CCCCOCCN(C)[C@@H](C)c1ccc(C)cc1 ZINC000550964055 398147765 /nfs/dbraw/zinc/14/77/65/398147765.db2.gz ZMVDUPONKVLNET-HNNXBMFYSA-N 0 3 249.398 3.805 20 0 BHADHN CCCCOCCN(C)[C@H](C)c1ccc(C)cc1 ZINC000550964056 398147500 /nfs/dbraw/zinc/14/75/00/398147500.db2.gz ZMVDUPONKVLNET-OAHLLOKOSA-N 0 3 249.398 3.805 20 0 BHADHN CC1=CC[C@@H](NCc2ccc(F)cc2F)CC1 ZINC000551271481 325552207 /nfs/dbraw/zinc/55/22/07/325552207.db2.gz LSTAMKDDZBLQEM-CYBMUJFWSA-N 0 3 237.293 3.553 20 0 BHADHN CC1=CC[C@H](NCc2ccc(F)cc2F)CC1 ZINC000551271505 388624215 /nfs/dbraw/zinc/62/42/15/388624215.db2.gz LSTAMKDDZBLQEM-ZDUSSCGKSA-N 0 3 237.293 3.553 20 0 BHADHN Cc1ccnc([C@@H](C)NCCC(C)(C)C2CC2)c1 ZINC000551297030 325552999 /nfs/dbraw/zinc/55/29/99/325552999.db2.gz RLOWIFLRVPQCDK-CYBMUJFWSA-N 0 3 246.398 3.867 20 0 BHADHN Cc1ccnc([C@H](C)NCCC(C)(C)C2CC2)c1 ZINC000551297031 388625677 /nfs/dbraw/zinc/62/56/77/388625677.db2.gz RLOWIFLRVPQCDK-ZDUSSCGKSA-N 0 3 246.398 3.867 20 0 BHADHN F[C@H]1CCC[C@H]1N[C@H](c1ccccc1)C1CC1 ZINC000551302698 388625669 /nfs/dbraw/zinc/62/56/69/388625669.db2.gz XBSBWXXNSYQHPO-RRFJBIMHSA-N 0 3 233.330 3.618 20 0 BHADHN F[C@H]1CCC[C@H]1N[C@@H](c1ccccc1)C1CC1 ZINC000551302699 388625686 /nfs/dbraw/zinc/62/56/86/388625686.db2.gz XBSBWXXNSYQHPO-ZNMIVQPWSA-N 0 3 233.330 3.618 20 0 BHADHN CC[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc(F)cc1 ZINC000551304287 388625287 /nfs/dbraw/zinc/62/52/87/388625287.db2.gz FZQHCFUAWIEORC-BFHYXJOUSA-N 0 3 239.309 3.757 20 0 BHADHN CC[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(F)cc1 ZINC000551304288 388625956 /nfs/dbraw/zinc/62/59/56/388625956.db2.gz FZQHCFUAWIEORC-MCIONIFRSA-N 0 3 239.309 3.757 20 0 BHADHN F[C@H]1CCC[C@H]1N[C@@H]1CCCc2ccccc21 ZINC000551306333 388626025 /nfs/dbraw/zinc/62/60/25/388626025.db2.gz KPPFYEUPTGRSSD-RRFJBIMHSA-N 0 3 233.330 3.544 20 0 BHADHN F[C@H]1CCC[C@H]1N[C@H]1CCCc2ccccc21 ZINC000551306334 388625493 /nfs/dbraw/zinc/62/54/93/388625493.db2.gz KPPFYEUPTGRSSD-SOUVJXGZSA-N 0 3 233.330 3.544 20 0 BHADHN Cc1ccc(C)c([C@H](C)N[C@@H]2CCC[C@@H]2F)c1 ZINC000551307571 388625505 /nfs/dbraw/zinc/62/55/05/388625505.db2.gz RNEFIOOTPUQAQZ-AEGPPILISA-N 0 3 235.346 3.845 20 0 BHADHN Cc1ccc(C)c([C@@H](C)N[C@@H]2CCC[C@@H]2F)c1 ZINC000551307572 325553292 /nfs/dbraw/zinc/55/32/92/325553292.db2.gz RNEFIOOTPUQAQZ-VHDGCEQUSA-N 0 3 235.346 3.845 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CCC[C@H]2F)cc1C ZINC000551307606 388625247 /nfs/dbraw/zinc/62/52/47/388625247.db2.gz TZAGFIQVIZJWNG-CFVMTHIKSA-N 0 3 235.346 3.845 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2CCC[C@H]2F)cc1C ZINC000551307607 388625582 /nfs/dbraw/zinc/62/55/82/388625582.db2.gz TZAGFIQVIZJWNG-YUELXQCFSA-N 0 3 235.346 3.845 20 0 BHADHN Cc1ccc([C@@H](N[C@H]2CCC[C@H]2F)C2CC2)cc1 ZINC000551307939 325553865 /nfs/dbraw/zinc/55/38/65/325553865.db2.gz GRCQYIDQFBJLKZ-OWCLPIDISA-N 0 3 247.357 3.926 20 0 BHADHN Cc1ccc([C@H](N[C@H]2CCC[C@H]2F)C2CC2)cc1 ZINC000551307940 388625306 /nfs/dbraw/zinc/62/53/06/388625306.db2.gz GRCQYIDQFBJLKZ-PMPSAXMXSA-N 0 3 247.357 3.926 20 0 BHADHN CC[C@@H](N[C@H]1CCC[C@H]1F)c1cccc(C)c1 ZINC000551308792 388625786 /nfs/dbraw/zinc/62/57/86/388625786.db2.gz MZVPBYLDUJXDLR-KFWWJZLASA-N 0 3 235.346 3.926 20 0 BHADHN Cc1cc(C)cc([C@H](C)N[C@H]2CCC[C@H]2F)c1 ZINC000551309824 388625984 /nfs/dbraw/zinc/62/59/84/388625984.db2.gz XMQLTPYDKFMCMD-CFVMTHIKSA-N 0 3 235.346 3.845 20 0 BHADHN Cc1cc(C)cc([C@@H](C)N[C@H]2CCC[C@H]2F)c1 ZINC000551309825 388626037 /nfs/dbraw/zinc/62/60/37/388626037.db2.gz XMQLTPYDKFMCMD-YUELXQCFSA-N 0 3 235.346 3.845 20 0 BHADHN Cc1cc(C)cc([C@H](C)N[C@@H]2CCC[C@@H]2F)c1 ZINC000551310222 388626758 /nfs/dbraw/zinc/62/67/58/388626758.db2.gz XMQLTPYDKFMCMD-AEGPPILISA-N 0 3 235.346 3.845 20 0 BHADHN Cc1cc(C)cc([C@@H](C)N[C@@H]2CCC[C@@H]2F)c1 ZINC000551310223 325553702 /nfs/dbraw/zinc/55/37/02/325553702.db2.gz XMQLTPYDKFMCMD-VHDGCEQUSA-N 0 3 235.346 3.845 20 0 BHADHN CN(CCC1CCCCCC1)Cc1ccncc1 ZINC000551328786 388626448 /nfs/dbraw/zinc/62/64/48/388626448.db2.gz SQMAFHLYYWEDBL-UHFFFAOYSA-N 0 3 246.398 3.874 20 0 BHADHN CN(CCC1CCCCCC1)Cc1cccnc1 ZINC000551328898 388626187 /nfs/dbraw/zinc/62/61/87/388626187.db2.gz VGTZSRFTDWCAIB-UHFFFAOYSA-N 0 3 246.398 3.874 20 0 BHADHN FCCCCCN1CCC=C(c2ccccc2)C1 ZINC000551404393 388628926 /nfs/dbraw/zinc/62/89/26/388628926.db2.gz ZHRVNMSAQFUUGI-UHFFFAOYSA-N 0 3 247.357 3.916 20 0 BHADHN CCC1CC(NCc2cc3ccccc3o2)C1 ZINC000551528237 325559578 /nfs/dbraw/zinc/55/95/78/325559578.db2.gz HHTJVLWRLVEBAV-UHFFFAOYSA-N 0 3 229.323 3.711 20 0 BHADHN CCC1CC(N[C@H]2COc3c2ccc(C)c3C)C1 ZINC000551529037 325559464 /nfs/dbraw/zinc/55/94/64/325559464.db2.gz ABEMIZIOCBXTJU-PIMMBPRGSA-N 0 3 245.366 3.515 20 0 BHADHN CCC1CC(N[C@@H]2COc3c2ccc(C)c3C)C1 ZINC000551529038 388632528 /nfs/dbraw/zinc/63/25/28/388632528.db2.gz ABEMIZIOCBXTJU-SSDMNJCBSA-N 0 3 245.366 3.515 20 0 BHADHN CCC1CC(NC2(c3cccc(F)c3)CC2)C1 ZINC000551532875 325560104 /nfs/dbraw/zinc/56/01/04/325560104.db2.gz HXXNTLPOXFSJRF-UHFFFAOYSA-N 0 3 233.330 3.593 20 0 BHADHN Cc1cccc(CN(C)CC(C(C)C)C(C)C)n1 ZINC000551558408 388633382 /nfs/dbraw/zinc/63/33/82/388633382.db2.gz OWMRJPAWVWTJAT-UHFFFAOYSA-N 0 3 248.414 3.750 20 0 BHADHN CCN(Cc1ccc(Cl)o1)C1CCCC1 ZINC000551585675 388634291 /nfs/dbraw/zinc/63/42/91/388634291.db2.gz DLRVYDOWPOXGFA-UHFFFAOYSA-N 0 3 227.735 3.698 20 0 BHADHN C[C@@H]1c2ccsc2CCN1CCCCCF ZINC000551696412 388636241 /nfs/dbraw/zinc/63/62/41/388636241.db2.gz AONDXPHVEBMIAD-LLVKDONJSA-N 0 3 241.375 3.807 20 0 BHADHN C[C@H]1c2ccsc2CCN1CCCCCF ZINC000551696413 388636211 /nfs/dbraw/zinc/63/62/11/388636211.db2.gz AONDXPHVEBMIAD-NSHDSACASA-N 0 3 241.375 3.807 20 0 BHADHN C[C@H](c1ccccc1F)N(C)CCCCCF ZINC000551696418 388636960 /nfs/dbraw/zinc/63/69/60/388636960.db2.gz AQVUMLYUQKKOCK-GFCCVEGCSA-N 0 3 241.325 3.958 20 0 BHADHN C[C@@H](c1ccccc1F)N(C)CCCCCF ZINC000551696419 388636758 /nfs/dbraw/zinc/63/67/58/388636758.db2.gz AQVUMLYUQKKOCK-LBPRGKRZSA-N 0 3 241.325 3.958 20 0 BHADHN CN(CCCCCF)Cc1ccccc1Cl ZINC000551696956 388637133 /nfs/dbraw/zinc/63/71/33/388637133.db2.gz NJNVUNQYIBCSEQ-UHFFFAOYSA-N 0 3 243.753 3.912 20 0 BHADHN CC(C)=CCN1CCC(CC(F)(F)F)CC1 ZINC000551711247 325565096 /nfs/dbraw/zinc/56/50/96/325565096.db2.gz OJSYATGQGYDWLS-UHFFFAOYSA-N 0 3 235.293 3.617 20 0 BHADHN CCc1cc(CN[C@H](C)CCC(C)(C)C)on1 ZINC000551789479 325569991 /nfs/dbraw/zinc/56/99/91/325569991.db2.gz OPAZHXPDZPPKBS-LLVKDONJSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1cc(CN[C@@H](C)CCC(C)(C)C)on1 ZINC000551789480 388641397 /nfs/dbraw/zinc/64/13/97/388641397.db2.gz OPAZHXPDZPPKBS-NSHDSACASA-N 0 3 238.375 3.541 20 0 BHADHN CCOc1cc(C)ccc1CNC1CC(CC)C1 ZINC000551790856 388641411 /nfs/dbraw/zinc/64/14/11/388641411.db2.gz HNMZAKDYSGJEGW-UHFFFAOYSA-N 0 3 247.382 3.672 20 0 BHADHN CC1(CN2CCC(CC(F)(F)F)CC2)CCC1 ZINC000551826931 388642248 /nfs/dbraw/zinc/64/22/48/388642248.db2.gz OQZMXUMXIPMJOI-UHFFFAOYSA-N 0 3 249.320 3.841 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN2C3CCC2CC3)o1 ZINC000552015480 325585826 /nfs/dbraw/zinc/58/58/26/325585826.db2.gz WFFXNRJCHDWXKU-BBCYWQGDSA-N 0 3 231.339 3.530 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN2C3CCC2CC3)o1 ZINC000552015481 388658545 /nfs/dbraw/zinc/65/85/45/388658545.db2.gz WFFXNRJCHDWXKU-DLOFLVKXSA-N 0 3 231.339 3.530 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN2C3CCC2CC3)o1 ZINC000552015482 325585885 /nfs/dbraw/zinc/58/58/85/325585885.db2.gz WFFXNRJCHDWXKU-MLCFOIATSA-N 0 3 231.339 3.530 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN2C3CCC2CC3)o1 ZINC000552015483 388658493 /nfs/dbraw/zinc/65/84/93/388658493.db2.gz WFFXNRJCHDWXKU-NPZBDFSRSA-N 0 3 231.339 3.530 20 0 BHADHN CCC(C)(C)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000552043393 388664418 /nfs/dbraw/zinc/66/44/18/388664418.db2.gz LARFJBNLXKHCRE-UHFFFAOYSA-N 0 3 245.288 3.724 20 0 BHADHN CCc1ccc([C@H]2CCN(CC3(F)CC3)C2)cc1 ZINC000552060834 388664624 /nfs/dbraw/zinc/66/46/24/388664624.db2.gz LLGIZFJRZHSVIY-HNNXBMFYSA-N 0 3 247.357 3.540 20 0 BHADHN CCc1ccc([C@@H]2CCN(CC3(F)CC3)C2)cc1 ZINC000552060835 388665110 /nfs/dbraw/zinc/66/51/10/388665110.db2.gz LLGIZFJRZHSVIY-OAHLLOKOSA-N 0 3 247.357 3.540 20 0 BHADHN Fc1ccc(/C=C/CN2CCC3(CCC3)C2)cc1 ZINC000552064224 388665551 /nfs/dbraw/zinc/66/55/51/388665551.db2.gz AIJVQMOZUKMFIA-HNQUOIGGSA-N 0 3 245.341 3.715 20 0 BHADHN Fc1ccc(/C=C\CN2CCC3(CCC3)C2)cc1 ZINC000552064225 388665219 /nfs/dbraw/zinc/66/52/19/388665219.db2.gz AIJVQMOZUKMFIA-IWQZZHSRSA-N 0 3 245.341 3.715 20 0 BHADHN CC(C)(C)CCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000552064913 388666354 /nfs/dbraw/zinc/66/63/54/388666354.db2.gz YNSBACCEJHKSBY-AWEZNQCLSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)(C)CCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000552064914 388666516 /nfs/dbraw/zinc/66/65/16/388666516.db2.gz YNSBACCEJHKSBY-CQSZACIVSA-N 0 3 246.398 3.901 20 0 BHADHN CCC(CC)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000552065041 388666347 /nfs/dbraw/zinc/66/63/47/388666347.db2.gz AEOZVJGSFPNOOL-HNNXBMFYSA-N 0 3 246.398 3.901 20 0 BHADHN CCC(CC)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000552065042 388666416 /nfs/dbraw/zinc/66/64/16/388666416.db2.gz AEOZVJGSFPNOOL-OAHLLOKOSA-N 0 3 246.398 3.901 20 0 BHADHN COc1cccc(CN2CC(C)(C)[C@@H]2C(C)C)c1 ZINC000552072024 388667132 /nfs/dbraw/zinc/66/71/32/388667132.db2.gz QDBYMVFIBXZNRD-HNNXBMFYSA-N 0 3 247.382 3.562 20 0 BHADHN COc1cccc(CN2CC(C)(C)[C@H]2C(C)C)c1 ZINC000552072025 388667378 /nfs/dbraw/zinc/66/73/78/388667378.db2.gz QDBYMVFIBXZNRD-OAHLLOKOSA-N 0 3 247.382 3.562 20 0 BHADHN CCCC[C@@H](C)N[C@H](C)c1c(F)cncc1F ZINC000552091989 325595737 /nfs/dbraw/zinc/59/57/37/325595737.db2.gz FHFNRAIQYQQYNL-NXEZZACHSA-N 0 3 242.313 3.589 20 0 BHADHN CCCC[C@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000552091990 388668888 /nfs/dbraw/zinc/66/88/88/388668888.db2.gz FHFNRAIQYQQYNL-UWVGGRQHSA-N 0 3 242.313 3.589 20 0 BHADHN CCCC[C@H](C)N[C@H](C)c1c(F)cncc1F ZINC000552091991 325595893 /nfs/dbraw/zinc/59/58/93/325595893.db2.gz FHFNRAIQYQQYNL-VHSXEESVSA-N 0 3 242.313 3.589 20 0 BHADHN CCCC[C@@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000552091992 388668093 /nfs/dbraw/zinc/66/80/93/388668093.db2.gz FHFNRAIQYQQYNL-ZJUUUORDSA-N 0 3 242.313 3.589 20 0 BHADHN Cc1cc(C)cc(CN(C)CCOC(C)(C)C)c1 ZINC000552102562 388669314 /nfs/dbraw/zinc/66/93/14/388669314.db2.gz FRIFNQIFJCMOFK-UHFFFAOYSA-N 0 3 249.398 3.550 20 0 BHADHN CCCC[C@@H](C)N(CCCC)Cc1cocn1 ZINC000552129659 388672269 /nfs/dbraw/zinc/67/22/69/388672269.db2.gz CYXROEVEKGDXTO-CYBMUJFWSA-N 0 3 238.375 3.855 20 0 BHADHN CCCC[C@H](C)N(CCCC)Cc1cocn1 ZINC000552129660 388672208 /nfs/dbraw/zinc/67/22/08/388672208.db2.gz CYXROEVEKGDXTO-ZDUSSCGKSA-N 0 3 238.375 3.855 20 0 BHADHN CC[C@H](N[C@@H]1CC=C(C)CC1)c1nccs1 ZINC000552136343 325599467 /nfs/dbraw/zinc/59/94/67/325599467.db2.gz MQBTZNUQGNEZJV-NEPJUHHUSA-N 0 3 236.384 3.683 20 0 BHADHN CC[C@@H](N[C@H]1CC=C(C)CC1)c1nccs1 ZINC000552136344 388672905 /nfs/dbraw/zinc/67/29/05/388672905.db2.gz MQBTZNUQGNEZJV-NWDGAFQWSA-N 0 3 236.384 3.683 20 0 BHADHN CC[C@H](N[C@H]1CC=C(C)CC1)c1nccs1 ZINC000552136345 325599553 /nfs/dbraw/zinc/59/95/53/325599553.db2.gz MQBTZNUQGNEZJV-RYUDHWBXSA-N 0 3 236.384 3.683 20 0 BHADHN CC[C@@H](N[C@@H]1CC=C(C)CC1)c1nccs1 ZINC000552136346 388672911 /nfs/dbraw/zinc/67/29/11/388672911.db2.gz MQBTZNUQGNEZJV-VXGBXAGGSA-N 0 3 236.384 3.683 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@H]1CC=C(C)CC1)CO2 ZINC000552136427 325599602 /nfs/dbraw/zinc/59/96/02/325599602.db2.gz SUHKGGFMRWGWIQ-DZGCQCFKSA-N 0 3 243.350 3.517 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CC=C(C)CC1)CO2 ZINC000552136428 325599557 /nfs/dbraw/zinc/59/95/57/325599557.db2.gz SUHKGGFMRWGWIQ-HIFRSBDPSA-N 0 3 243.350 3.517 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CC=C(C)CC1)CO2 ZINC000552136429 388672604 /nfs/dbraw/zinc/67/26/04/388672604.db2.gz SUHKGGFMRWGWIQ-UKRRQHHQSA-N 0 3 243.350 3.517 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@H]1CC=C(C)CC1)CO2 ZINC000552136430 388672761 /nfs/dbraw/zinc/67/27/61/388672761.db2.gz SUHKGGFMRWGWIQ-ZFWWWQNUSA-N 0 3 243.350 3.517 20 0 BHADHN CC[C@H](C)N(C)Cc1ccccc1OCC(C)C ZINC000552195921 388679992 /nfs/dbraw/zinc/67/99/92/388679992.db2.gz GVXZDYXKFIPHSU-AWEZNQCLSA-N 0 3 249.398 3.952 20 0 BHADHN CC[C@@H](C)N(C)Cc1ccccc1OCC(C)C ZINC000552195922 388679796 /nfs/dbraw/zinc/67/97/96/388679796.db2.gz GVXZDYXKFIPHSU-CQSZACIVSA-N 0 3 249.398 3.952 20 0 BHADHN CC(C)=CCN1CC[C@H](c2cccc(F)c2)C1 ZINC000552199133 388679826 /nfs/dbraw/zinc/67/98/26/388679826.db2.gz OEYWODAFZLFJGN-AWEZNQCLSA-N 0 3 233.330 3.581 20 0 BHADHN CC(C)=CCN1CC[C@@H](c2cccc(F)c2)C1 ZINC000552199134 388679740 /nfs/dbraw/zinc/67/97/40/388679740.db2.gz OEYWODAFZLFJGN-CQSZACIVSA-N 0 3 233.330 3.581 20 0 BHADHN CC[C@@H]1CCN1Cc1cc(C)cc(Cl)c1 ZINC000552256463 388687457 /nfs/dbraw/zinc/68/74/57/388687457.db2.gz LUZFHHXTWQGRHM-CYBMUJFWSA-N 0 3 223.747 3.633 20 0 BHADHN CC[C@H]1CCN1Cc1cc(C)cc(Cl)c1 ZINC000552256464 388686694 /nfs/dbraw/zinc/68/66/94/388686694.db2.gz LUZFHHXTWQGRHM-ZDUSSCGKSA-N 0 3 223.747 3.633 20 0 BHADHN CCC(C)(C)N(C)Cc1cc(F)c(F)cc1F ZINC000552256561 388687283 /nfs/dbraw/zinc/68/72/83/388687283.db2.gz QZYDVXUFLSUYFX-UHFFFAOYSA-N 0 3 245.288 3.724 20 0 BHADHN CC(C)[C@H]1CC[C@@H]1Nc1cccc(CN(C)C)c1 ZINC000552275568 325616553 /nfs/dbraw/zinc/61/65/53/325616553.db2.gz ZXIRHIZNOIXRBP-CVEARBPZSA-N 0 3 246.398 3.595 20 0 BHADHN CC(C)[C@@H]1CC[C@@H]1Nc1cccc(CN(C)C)c1 ZINC000552275569 388687862 /nfs/dbraw/zinc/68/78/62/388687862.db2.gz ZXIRHIZNOIXRBP-HOTGVXAUSA-N 0 3 246.398 3.595 20 0 BHADHN CC(C)[C@H]1CC[C@H]1Nc1cccc(CN(C)C)c1 ZINC000552275570 322868468 /nfs/dbraw/zinc/86/84/68/322868468.db2.gz ZXIRHIZNOIXRBP-HZPDHXFCSA-N 0 3 246.398 3.595 20 0 BHADHN CC(C)[C@@H]1CC[C@H]1Nc1cccc(CN(C)C)c1 ZINC000552275571 322868407 /nfs/dbraw/zinc/86/84/07/322868407.db2.gz ZXIRHIZNOIXRBP-JKSUJKDBSA-N 0 3 246.398 3.595 20 0 BHADHN Cc1ccnc([C@H](C)NCC2(CC(C)C)CC2)c1 ZINC000552275898 322868651 /nfs/dbraw/zinc/86/86/51/322868651.db2.gz DLQLPWOHPOEUBS-AWEZNQCLSA-N 0 3 246.398 3.867 20 0 BHADHN Cc1ccnc([C@@H](C)NCC2(CC(C)C)CC2)c1 ZINC000552275899 384877270 /nfs/dbraw/zinc/87/72/70/384877270.db2.gz DLQLPWOHPOEUBS-CQSZACIVSA-N 0 3 246.398 3.867 20 0 BHADHN CC(C)N(Cc1ccccc1F)C[C@H]1C[C@@H]1C ZINC000552278147 388688656 /nfs/dbraw/zinc/68/86/56/388688656.db2.gz UHCAORCHVPOWKS-GXTWGEPZSA-N 0 3 235.346 3.692 20 0 BHADHN CC(C)N(Cc1ccccc1F)C[C@@H]1C[C@@H]1C ZINC000552278148 388687852 /nfs/dbraw/zinc/68/78/52/388687852.db2.gz UHCAORCHVPOWKS-JSGCOSHPSA-N 0 3 235.346 3.692 20 0 BHADHN CC(C)N(Cc1ccccc1F)C[C@@H]1C[C@H]1C ZINC000552278149 388688709 /nfs/dbraw/zinc/68/87/09/388688709.db2.gz UHCAORCHVPOWKS-OCCSQVGLSA-N 0 3 235.346 3.692 20 0 BHADHN CC(C)N(Cc1ccccc1F)C[C@H]1C[C@H]1C ZINC000552278150 388688173 /nfs/dbraw/zinc/68/81/73/388688173.db2.gz UHCAORCHVPOWKS-TZMCWYRMSA-N 0 3 235.346 3.692 20 0 BHADHN CC(C)CCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000552280940 388690000 /nfs/dbraw/zinc/69/00/00/388690000.db2.gz YNKIXNYPZZTXHO-HNNXBMFYSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)CCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000552280941 388689353 /nfs/dbraw/zinc/68/93/53/388689353.db2.gz YNKIXNYPZZTXHO-OAHLLOKOSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)C[C@@H](C)N1CCc2cccc(F)c2C1 ZINC000552281118 388689849 /nfs/dbraw/zinc/68/98/49/388689849.db2.gz HRNQAFBHRJWIHH-GFCCVEGCSA-N 0 3 235.346 3.618 20 0 BHADHN CC(C)C[C@H](C)N1CCc2cccc(F)c2C1 ZINC000552281119 388689751 /nfs/dbraw/zinc/68/97/51/388689751.db2.gz HRNQAFBHRJWIHH-LBPRGKRZSA-N 0 3 235.346 3.618 20 0 BHADHN COc1ccccc1CN1CC(C)(C)[C@@H]1C(C)C ZINC000552292719 388691059 /nfs/dbraw/zinc/69/10/59/388691059.db2.gz CMPJJEOGHFPLNC-HNNXBMFYSA-N 0 3 247.382 3.562 20 0 BHADHN COc1ccccc1CN1CC(C)(C)[C@H]1C(C)C ZINC000552292720 388691009 /nfs/dbraw/zinc/69/10/09/388691009.db2.gz CMPJJEOGHFPLNC-OAHLLOKOSA-N 0 3 247.382 3.562 20 0 BHADHN Cc1ccc(CN(C)CCOC(C)(C)C)cc1C ZINC000552343927 388695610 /nfs/dbraw/zinc/69/56/10/388695610.db2.gz TWKYZEVSGSNIBM-UHFFFAOYSA-N 0 3 249.398 3.550 20 0 BHADHN C[C@@H](CCN1CCC[C@@H]1CF)c1ccccc1 ZINC000552392088 388701783 /nfs/dbraw/zinc/70/17/83/388701783.db2.gz GDNKBBZVKRVBMQ-DZGCQCFKSA-N 0 3 235.346 3.614 20 0 BHADHN C[C@H](CCN1CCC[C@H]1CF)c1ccccc1 ZINC000552392089 388702035 /nfs/dbraw/zinc/70/20/35/388702035.db2.gz GDNKBBZVKRVBMQ-HIFRSBDPSA-N 0 3 235.346 3.614 20 0 BHADHN C[C@H](CCN1CCC[C@@H]1CF)c1ccccc1 ZINC000552392090 388702175 /nfs/dbraw/zinc/70/21/75/388702175.db2.gz GDNKBBZVKRVBMQ-UKRRQHHQSA-N 0 3 235.346 3.614 20 0 BHADHN C[C@@H](CCN1CCC[C@H]1CF)c1ccccc1 ZINC000552392091 388701855 /nfs/dbraw/zinc/70/18/55/388701855.db2.gz GDNKBBZVKRVBMQ-ZFWWWQNUSA-N 0 3 235.346 3.614 20 0 BHADHN CCC(CC)N(Cc1ncc(C)s1)C1CC1 ZINC000552812944 388737623 /nfs/dbraw/zinc/73/76/23/388737623.db2.gz MHRMRHJNZXJNPA-UHFFFAOYSA-N 0 3 238.400 3.605 20 0 BHADHN CCOc1ccccc1CN(C)[C@@H](C)CC(C)C ZINC000552828512 388737763 /nfs/dbraw/zinc/73/77/63/388737763.db2.gz WDOSQHOZNIECHI-AWEZNQCLSA-N 0 3 249.398 3.952 20 0 BHADHN CCOc1ccccc1CN(C)[C@H](C)CC(C)C ZINC000552828529 388737393 /nfs/dbraw/zinc/73/73/93/388737393.db2.gz WDOSQHOZNIECHI-CQSZACIVSA-N 0 3 249.398 3.952 20 0 BHADHN Cc1ccc2oc(CNC3CC(C)C3)cc2c1 ZINC000553495617 388778458 /nfs/dbraw/zinc/77/84/58/388778458.db2.gz HPIFZDCYNZGGNM-UHFFFAOYSA-N 0 3 229.323 3.629 20 0 BHADHN Fc1ccc(CN(C2CC2)[C@H]2C=CCCC2)cc1 ZINC000553543758 388781059 /nfs/dbraw/zinc/78/10/59/388781059.db2.gz FDWHQONBURCTBH-HNNXBMFYSA-N 0 3 245.341 3.899 20 0 BHADHN Fc1ccc(CN(C2CC2)[C@@H]2C=CCCC2)cc1 ZINC000553543760 388780974 /nfs/dbraw/zinc/78/09/74/388780974.db2.gz FDWHQONBURCTBH-OAHLLOKOSA-N 0 3 245.341 3.899 20 0 BHADHN CCN(Cc1cc(F)ccc1F)[C@H](C)C(C)C ZINC000553640204 388784603 /nfs/dbraw/zinc/78/46/03/388784603.db2.gz QGYVBZKCGMYLGP-LLVKDONJSA-N 0 3 241.325 3.831 20 0 BHADHN CCN(Cc1cc(F)ccc1F)[C@@H](C)C(C)C ZINC000553640205 388785001 /nfs/dbraw/zinc/78/50/01/388785001.db2.gz QGYVBZKCGMYLGP-NSHDSACASA-N 0 3 241.325 3.831 20 0 BHADHN CCCN(Cc1cc(F)ccc1F)CC(C)C ZINC000553828659 388791038 /nfs/dbraw/zinc/79/10/38/388791038.db2.gz JLQPDMDDWAVAQM-UHFFFAOYSA-N 0 3 241.325 3.833 20 0 BHADHN CC1(C)CN(CC2CC2)[C@@H]1c1cccs1 ZINC000553992342 388796027 /nfs/dbraw/zinc/79/60/27/388796027.db2.gz SFKJZKHHGJRNNV-GFCCVEGCSA-N 0 3 221.369 3.541 20 0 BHADHN CC1(C)CN(CC2CC2)[C@H]1c1cccs1 ZINC000553992349 388796124 /nfs/dbraw/zinc/79/61/24/388796124.db2.gz SFKJZKHHGJRNNV-LBPRGKRZSA-N 0 3 221.369 3.541 20 0 BHADHN CC1(C)CN(CC2CCC2)[C@@H]1c1cccs1 ZINC000553992610 388796135 /nfs/dbraw/zinc/79/61/35/388796135.db2.gz MXHAVYXDFVKIJW-CYBMUJFWSA-N 0 3 235.396 3.931 20 0 BHADHN CC1(C)CN(CC2CCC2)[C@H]1c1cccs1 ZINC000553992611 388795787 /nfs/dbraw/zinc/79/57/87/388795787.db2.gz MXHAVYXDFVKIJW-ZDUSSCGKSA-N 0 3 235.396 3.931 20 0 BHADHN CC[C@H](C)N1CC(C)(C)[C@H]1c1cccs1 ZINC000553992915 388796075 /nfs/dbraw/zinc/79/60/75/388796075.db2.gz PRLRJVGBVKOVOJ-CMPLNLGQSA-N 0 3 223.385 3.930 20 0 BHADHN CC[C@H](C)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000553992917 388796161 /nfs/dbraw/zinc/79/61/61/388796161.db2.gz PRLRJVGBVKOVOJ-JQWIXIFHSA-N 0 3 223.385 3.930 20 0 BHADHN CC[C@@H](C)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000553992918 388796909 /nfs/dbraw/zinc/79/69/09/388796909.db2.gz PRLRJVGBVKOVOJ-PWSUYJOCSA-N 0 3 223.385 3.930 20 0 BHADHN CC[C@@H](C)N1CC(C)(C)[C@H]1c1cccs1 ZINC000553992919 388796690 /nfs/dbraw/zinc/79/66/90/388796690.db2.gz PRLRJVGBVKOVOJ-ZYHUDNBSSA-N 0 3 223.385 3.930 20 0 BHADHN CC[C@@H]1CC[C@@H]1N[C@H](C)c1c(F)cccc1F ZINC000554049785 325703677 /nfs/dbraw/zinc/70/36/77/325703677.db2.gz BUAHLBRHYBUDFA-BREBYQMCSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1c(F)cccc1F ZINC000554049786 388798415 /nfs/dbraw/zinc/79/84/15/388798415.db2.gz BUAHLBRHYBUDFA-CWSCBRNRSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@H]1N[C@H](C)c1c(F)cccc1F ZINC000554049787 388797963 /nfs/dbraw/zinc/79/79/63/388797963.db2.gz BUAHLBRHYBUDFA-GIPNMCIBSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@H]1N[C@@H](C)c1c(F)cccc1F ZINC000554049788 388798446 /nfs/dbraw/zinc/79/84/46/388798446.db2.gz BUAHLBRHYBUDFA-OPQQBVKSSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@@H]1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000554049931 325703687 /nfs/dbraw/zinc/70/36/87/325703687.db2.gz YIIIVNMJEYUQOE-OXHZDVMGSA-N 0 3 233.355 3.681 20 0 BHADHN CC[C@@H]1CC[C@@H]1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000554049933 384053182 /nfs/dbraw/zinc/05/31/82/384053182.db2.gz YIIIVNMJEYUQOE-RFHZTLPTSA-N 0 3 233.355 3.681 20 0 BHADHN CC[C@@H]1CC[C@@H]1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000554049934 322966480 /nfs/dbraw/zinc/96/64/80/322966480.db2.gz YIIIVNMJEYUQOE-UNJBNNCHSA-N 0 3 233.355 3.681 20 0 BHADHN CC[C@@H]1CC[C@@H]1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000554049935 384050987 /nfs/dbraw/zinc/05/09/87/384050987.db2.gz YIIIVNMJEYUQOE-XCCSTKFXSA-N 0 3 233.355 3.681 20 0 BHADHN C[C@H]1Oc2cc(F)ccc2[C@H]1NC1CCCCC1 ZINC000554090123 388799359 /nfs/dbraw/zinc/79/93/59/388799359.db2.gz MPFUHNNWEDKZPX-BMIGLBTASA-N 0 3 249.329 3.570 20 0 BHADHN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC1CCCCC1 ZINC000554090125 388799389 /nfs/dbraw/zinc/79/93/89/388799389.db2.gz MPFUHNNWEDKZPX-BONVTDFDSA-N 0 3 249.329 3.570 20 0 BHADHN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC1CCCCC1 ZINC000554090126 325705756 /nfs/dbraw/zinc/70/57/56/325705756.db2.gz MPFUHNNWEDKZPX-MEBBXXQBSA-N 0 3 249.329 3.570 20 0 BHADHN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC1CCCCC1 ZINC000554090127 388799345 /nfs/dbraw/zinc/79/93/45/388799345.db2.gz MPFUHNNWEDKZPX-ZUZCIYMTSA-N 0 3 249.329 3.570 20 0 BHADHN CC[C@H]1CC[C@@H]1N[C@H](C)c1ccc(F)cc1F ZINC000554090651 325705746 /nfs/dbraw/zinc/70/57/46/325705746.db2.gz WCDUKSLLSJLURH-BFVZDQMLSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H]1CC[C@@H]1N[C@@H](C)c1ccc(F)cc1F ZINC000554090652 325705763 /nfs/dbraw/zinc/70/57/63/325705763.db2.gz WCDUKSLLSJLURH-BHDSKKPTSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@H]1N[C@H](C)c1ccc(F)cc1F ZINC000554090653 325705780 /nfs/dbraw/zinc/70/57/80/325705780.db2.gz WCDUKSLLSJLURH-GPCCPHFNSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@H]1N[C@@H](C)c1ccc(F)cc1F ZINC000554090654 388800146 /nfs/dbraw/zinc/80/01/46/388800146.db2.gz WCDUKSLLSJLURH-IMSIIYSGSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H]1CC[C@H]1N[C@H](C)c1ccc(F)cc1F ZINC000554090655 388798991 /nfs/dbraw/zinc/79/89/91/388798991.db2.gz WCDUKSLLSJLURH-ISTVAULSSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H]1CC[C@H]1N[C@@H](C)c1ccc(F)cc1F ZINC000554090656 388799589 /nfs/dbraw/zinc/79/95/89/388799589.db2.gz WCDUKSLLSJLURH-PKFCDNJMSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1ccc(F)cc1F ZINC000554090657 388800129 /nfs/dbraw/zinc/80/01/29/388800129.db2.gz WCDUKSLLSJLURH-RBZYPMLTSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@@H]1N[C@H](C)c1ccc(F)cc1F ZINC000554090658 388799848 /nfs/dbraw/zinc/79/98/48/388799848.db2.gz WCDUKSLLSJLURH-RULNRJAQSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@@H]1N[C@H](C)c1cccc(F)c1F ZINC000554110371 388800987 /nfs/dbraw/zinc/80/09/87/388800987.db2.gz JPWROGDZBXKCQM-BREBYQMCSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1cccc(F)c1F ZINC000554110373 325706997 /nfs/dbraw/zinc/70/69/97/325706997.db2.gz JPWROGDZBXKCQM-CWSCBRNRSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@H]1N[C@H](C)c1cccc(F)c1F ZINC000554110374 325707188 /nfs/dbraw/zinc/70/71/88/325707188.db2.gz JPWROGDZBXKCQM-GIPNMCIBSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@@H]1CC[C@H]1N[C@@H](C)c1cccc(F)c1F ZINC000554110375 325707024 /nfs/dbraw/zinc/70/70/24/325707024.db2.gz JPWROGDZBXKCQM-OPQQBVKSSA-N 0 3 239.309 3.804 20 0 BHADHN CC(C)CN1CCCn2c(cc3ccccc32)C1 ZINC000554305714 388808866 /nfs/dbraw/zinc/80/88/66/388808866.db2.gz NPLJBVLSDQMWRS-UHFFFAOYSA-N 0 3 242.366 3.503 20 0 BHADHN CCCN1CC(C)(C)[C@H]1c1cccs1 ZINC000554310283 388809440 /nfs/dbraw/zinc/80/94/40/388809440.db2.gz LSEPUCZHGZLHMI-LLVKDONJSA-N 0 3 209.358 3.541 20 0 BHADHN CCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000554310285 388809389 /nfs/dbraw/zinc/80/93/89/388809389.db2.gz LSEPUCZHGZLHMI-NSHDSACASA-N 0 3 209.358 3.541 20 0 BHADHN CC1(C)CN(C2CCC2)[C@@H]1c1cccs1 ZINC000554310424 388809193 /nfs/dbraw/zinc/80/91/93/388809193.db2.gz LODVFEKKSLIVJZ-GFCCVEGCSA-N 0 3 221.369 3.684 20 0 BHADHN CC1(C)CN(C2CCC2)[C@H]1c1cccs1 ZINC000554310425 388808348 /nfs/dbraw/zinc/80/83/48/388808348.db2.gz LODVFEKKSLIVJZ-LBPRGKRZSA-N 0 3 221.369 3.684 20 0 BHADHN Fc1ccccc1C1(N[C@H]2CC[C@@H]2C2CC2)CC1 ZINC000554369290 325716137 /nfs/dbraw/zinc/71/61/37/325716137.db2.gz CKDNASGSHDOFBQ-DOMZBBRYSA-N 0 3 245.341 3.593 20 0 BHADHN Fc1ccccc1C1(N[C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000554369291 388811701 /nfs/dbraw/zinc/81/17/01/388811701.db2.gz CKDNASGSHDOFBQ-IUODEOHRSA-N 0 3 245.341 3.593 20 0 BHADHN Fc1ccccc1C1(N[C@@H]2CC[C@H]2C2CC2)CC1 ZINC000554369292 325716268 /nfs/dbraw/zinc/71/62/68/325716268.db2.gz CKDNASGSHDOFBQ-SWLSCSKDSA-N 0 3 245.341 3.593 20 0 BHADHN Fc1ccccc1C1(N[C@H]2CC[C@H]2C2CC2)CC1 ZINC000554369293 325716285 /nfs/dbraw/zinc/71/62/85/325716285.db2.gz CKDNASGSHDOFBQ-WFASDCNBSA-N 0 3 245.341 3.593 20 0 BHADHN C[C@H](N[C@H]1CCC1(C)C)c1nc2ccccc2o1 ZINC000554404788 384679405 /nfs/dbraw/zinc/67/94/05/384679405.db2.gz IXICCQXJYUVTHN-GWCFXTLKSA-N 0 3 244.338 3.667 20 0 BHADHN C[C@H](N[C@@H]1CCC1(C)C)c1nc2ccccc2o1 ZINC000554404789 384680150 /nfs/dbraw/zinc/68/01/50/384680150.db2.gz IXICCQXJYUVTHN-GXFFZTMASA-N 0 3 244.338 3.667 20 0 BHADHN C[C@@H](N[C@H]1CCC1(C)C)c1nc2ccccc2o1 ZINC000554404790 384679655 /nfs/dbraw/zinc/67/96/55/384679655.db2.gz IXICCQXJYUVTHN-MFKMUULPSA-N 0 3 244.338 3.667 20 0 BHADHN C[C@@H](N[C@@H]1CCC1(C)C)c1nc2ccccc2o1 ZINC000554404791 384678970 /nfs/dbraw/zinc/67/89/70/384678970.db2.gz IXICCQXJYUVTHN-ZWNOBZJWSA-N 0 3 244.338 3.667 20 0 BHADHN CCCCOCCN(CC)Cc1ccc(C)cc1 ZINC000554454733 388815711 /nfs/dbraw/zinc/81/57/11/388815711.db2.gz SEMLLWRDYZXAAW-UHFFFAOYSA-N 0 3 249.398 3.634 20 0 BHADHN Cc1ccc(CNCC(C)(C)C(F)(F)F)cc1 ZINC000554656534 325732661 /nfs/dbraw/zinc/73/26/61/325732661.db2.gz ZJFNMQVXEDGLER-UHFFFAOYSA-N 0 3 245.288 3.673 20 0 BHADHN CCc1ccc(CNCC(C)(C)C(F)(F)F)o1 ZINC000554657795 388825279 /nfs/dbraw/zinc/82/52/79/388825279.db2.gz MWVUYMKZKYVALI-UHFFFAOYSA-N 0 3 249.276 3.520 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCC[C@H]3C[C@H]32)o1 ZINC000554657838 388826514 /nfs/dbraw/zinc/82/65/14/388826514.db2.gz ZXHZTAXVJFUJRS-BJBXXJATSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000554657839 325732523 /nfs/dbraw/zinc/73/25/23/325732523.db2.gz ZXHZTAXVJFUJRS-OBRUSBNWSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCC[C@H]3C[C@H]32)o1 ZINC000554657840 325732711 /nfs/dbraw/zinc/73/27/11/325732711.db2.gz ZXHZTAXVJFUJRS-WKZARQIDSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000554657841 388826234 /nfs/dbraw/zinc/82/62/34/388826234.db2.gz ZXHZTAXVJFUJRS-ZVJHWVFESA-N 0 3 245.366 3.681 20 0 BHADHN Cc1cccc(CNCC(C)(C)C(F)(F)F)c1 ZINC000554658783 388826294 /nfs/dbraw/zinc/82/62/94/388826294.db2.gz VBZZFTOUQKSGPW-UHFFFAOYSA-N 0 3 245.288 3.673 20 0 BHADHN Fc1ccc(/C=C/CN2CCC23CCC3)cc1F ZINC000554854761 388833861 /nfs/dbraw/zinc/83/38/61/388833861.db2.gz WJVOQMZLRSXWFZ-HNQUOIGGSA-N 0 3 249.304 3.606 20 0 BHADHN Fc1ccc(/C=C\CN2CCC23CCC3)cc1F ZINC000554854762 388833312 /nfs/dbraw/zinc/83/33/12/388833312.db2.gz WJVOQMZLRSXWFZ-IWQZZHSRSA-N 0 3 249.304 3.606 20 0 BHADHN CC(C)Oc1ccccc1CNC1(C2CC2)CC1 ZINC000554857147 325738444 /nfs/dbraw/zinc/73/84/44/325738444.db2.gz MVEDGDGEQSAPHF-UHFFFAOYSA-N 0 3 245.366 3.506 20 0 BHADHN c1coc(CNCC2CC(c3ccccc3)C2)c1 ZINC000554922916 388836336 /nfs/dbraw/zinc/83/63/36/388836336.db2.gz XTIDGOPPVMXPIW-UHFFFAOYSA-N 0 3 241.334 3.563 20 0 BHADHN CC[C@@H](C)CN(C)Cc1sccc1Cl ZINC000555014514 397988106 /nfs/dbraw/zinc/98/81/06/397988106.db2.gz DSDSPAMSGLLPNE-SECBINFHSA-N 0 3 231.792 3.879 20 0 BHADHN CC[C@H](C)CN(C)Cc1sccc1Cl ZINC000555014515 397988233 /nfs/dbraw/zinc/98/82/33/397988233.db2.gz DSDSPAMSGLLPNE-VIFPVBQESA-N 0 3 231.792 3.879 20 0 BHADHN CC(C)[C@H]1CCN(Cc2sccc2Cl)C1 ZINC000555016350 397989462 /nfs/dbraw/zinc/98/94/62/397989462.db2.gz YMSXCBYHELHLGO-JTQLQIEISA-N 0 3 243.803 3.879 20 0 BHADHN CC(C)[C@@H]1CCN(Cc2sccc2Cl)C1 ZINC000555016351 397989536 /nfs/dbraw/zinc/98/95/36/397989536.db2.gz YMSXCBYHELHLGO-SNVBAGLBSA-N 0 3 243.803 3.879 20 0 BHADHN CC1(C)CCN1CCc1ccc(F)cc1Cl ZINC000555092614 397992689 /nfs/dbraw/zinc/99/26/89/397992689.db2.gz LLTBHRFPZXSSJG-UHFFFAOYSA-N 0 3 241.737 3.506 20 0 BHADHN CC(C)Oc1ccccc1CN1CCCC[C@@H]1C ZINC000555210029 388842717 /nfs/dbraw/zinc/84/27/17/388842717.db2.gz SEUMVYBFGKTVMX-AWEZNQCLSA-N 0 3 247.382 3.848 20 0 BHADHN CC(C)Oc1ccccc1CN1CCCC[C@H]1C ZINC000555210030 388842346 /nfs/dbraw/zinc/84/23/46/388842346.db2.gz SEUMVYBFGKTVMX-CQSZACIVSA-N 0 3 247.382 3.848 20 0 BHADHN CCCCN(C)Cc1ccc(C(C)C)nc1CC ZINC000555301504 487774455 /nfs/dbraw/zinc/77/44/55/487774455.db2.gz HWGGKBKRCXSYDD-UHFFFAOYSA-N 0 3 248.414 3.999 20 0 BHADHN c1cc2c(s1)CCN([C@H]1C=CCCCCC1)C2 ZINC000555315854 398002623 /nfs/dbraw/zinc/00/26/23/398002623.db2.gz WUFFUXFXARRRAI-AWEZNQCLSA-N 0 3 247.407 3.995 20 0 BHADHN c1cc2c(s1)CCN([C@@H]1C=CCCCCC1)C2 ZINC000555315855 398002796 /nfs/dbraw/zinc/00/27/96/398002796.db2.gz WUFFUXFXARRRAI-CQSZACIVSA-N 0 3 247.407 3.995 20 0 BHADHN CCCN(CC)Cc1ccccc1OCC(C)C ZINC000555321724 398003491 /nfs/dbraw/zinc/00/34/91/398003491.db2.gz BFZBOAIJECRMFL-UHFFFAOYSA-N 0 3 249.398 3.953 20 0 BHADHN CCN(CC)Cc1ccccc1OCC(C)C ZINC000555321768 398003502 /nfs/dbraw/zinc/00/35/02/398003502.db2.gz BYKNLCVKZQTWFN-UHFFFAOYSA-N 0 3 235.371 3.563 20 0 BHADHN CC(C)COc1ccccc1CN1CC[C@H](C)C1 ZINC000555322226 398003966 /nfs/dbraw/zinc/00/39/66/398003966.db2.gz VEXSULZMLLDDBX-AWEZNQCLSA-N 0 3 247.382 3.563 20 0 BHADHN CC(C)COc1ccccc1CN1CC[C@@H](C)C1 ZINC000555322229 398003818 /nfs/dbraw/zinc/00/38/18/398003818.db2.gz VEXSULZMLLDDBX-CQSZACIVSA-N 0 3 247.382 3.563 20 0 BHADHN CC1CN(Cc2cccc(-c3ccccc3)c2)C1 ZINC000555341617 388847321 /nfs/dbraw/zinc/84/73/21/388847321.db2.gz JKPDIEVWJZMQPX-UHFFFAOYSA-N 0 3 237.346 3.805 20 0 BHADHN CCN(Cc1cccc(F)c1Cl)CC1CC1 ZINC000555364781 388847456 /nfs/dbraw/zinc/84/74/56/388847456.db2.gz UTBBLMHBWDMZPI-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN CCc1ccc(CN2CCC[C@H](C(C)C)C2)nc1 ZINC000555461099 388850831 /nfs/dbraw/zinc/85/08/31/388850831.db2.gz NMKYJSUPWMFJSE-HNNXBMFYSA-N 0 3 246.398 3.512 20 0 BHADHN CCc1ccc(CN2CCC[C@@H](C(C)C)C2)nc1 ZINC000555461100 388850491 /nfs/dbraw/zinc/85/04/91/388850491.db2.gz NMKYJSUPWMFJSE-OAHLLOKOSA-N 0 3 246.398 3.512 20 0 BHADHN Cc1ccncc1CN(C)[C@H]1C=CCCCCC1 ZINC000555462998 388850080 /nfs/dbraw/zinc/85/00/80/388850080.db2.gz VOURVXUHXFQGTC-INIZCTEOSA-N 0 3 244.382 3.711 20 0 BHADHN Cc1ccncc1CN(C)[C@@H]1C=CCCCCC1 ZINC000555462999 388850428 /nfs/dbraw/zinc/85/04/28/388850428.db2.gz VOURVXUHXFQGTC-MRXNPFEDSA-N 0 3 244.382 3.711 20 0 BHADHN CC(C)c1ccc(CSCCN(C)C)cc1 ZINC000555469606 325758973 /nfs/dbraw/zinc/75/89/73/325758973.db2.gz PHNPUKJBARLYRO-UHFFFAOYSA-N 0 3 237.412 3.605 20 0 BHADHN CCCC[C@@H](CC)CNCc1conc1CC ZINC000555511343 325759621 /nfs/dbraw/zinc/75/96/21/325759621.db2.gz CGQZKKNJMJOXOE-GFCCVEGCSA-N 0 3 238.375 3.543 20 0 BHADHN CCCC[C@H](CC)CNCc1conc1CC ZINC000555511346 388851267 /nfs/dbraw/zinc/85/12/67/388851267.db2.gz CGQZKKNJMJOXOE-LBPRGKRZSA-N 0 3 238.375 3.543 20 0 BHADHN COc1ccccc1CNC1CC(C(C)(C)C)C1 ZINC000555606584 388857327 /nfs/dbraw/zinc/85/73/27/388857327.db2.gz IIWLZMJFFZWHCM-UHFFFAOYSA-N 0 3 247.382 3.610 20 0 BHADHN FC1(CNCCc2cc3ccccc3s2)CC1 ZINC000555614460 388857123 /nfs/dbraw/zinc/85/71/23/388857123.db2.gz AFOGULUOQFPHQL-UHFFFAOYSA-N 0 3 249.354 3.536 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1C[C@@H](C)[C@H]1C ZINC000555634835 388857157 /nfs/dbraw/zinc/85/71/57/388857157.db2.gz HRNVQHHZZQZYGX-GMTAPVOTSA-N 0 3 223.747 3.741 20 0 BHADHN C[C@@H](c1cccc(Cl)c1)N1C[C@@H](C)[C@H]1C ZINC000555634836 388856547 /nfs/dbraw/zinc/85/65/47/388856547.db2.gz HRNVQHHZZQZYGX-MXWKQRLJSA-N 0 3 223.747 3.741 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1C[C@@H](C)[C@@H]1C ZINC000555634837 388856488 /nfs/dbraw/zinc/85/64/88/388856488.db2.gz HRNVQHHZZQZYGX-OUAUKWLOSA-N 0 3 223.747 3.741 20 0 BHADHN C[C@@H](c1cccc(Cl)c1)N1C[C@@H](C)[C@@H]1C ZINC000555634838 388856339 /nfs/dbraw/zinc/85/63/39/388856339.db2.gz HRNVQHHZZQZYGX-VWYCJHECSA-N 0 3 223.747 3.741 20 0 BHADHN C[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)[C@@H]1C ZINC000555642590 388858130 /nfs/dbraw/zinc/85/81/30/388858130.db2.gz ZWGIBCSCOCGLCH-HFAKWTLXSA-N 0 3 233.330 3.543 20 0 BHADHN C[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)[C@H]1C ZINC000555642591 388858718 /nfs/dbraw/zinc/85/87/18/388858718.db2.gz ZWGIBCSCOCGLCH-JRPNMDOOSA-N 0 3 233.330 3.543 20 0 BHADHN C[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)[C@@H]1C ZINC000555642592 388859084 /nfs/dbraw/zinc/85/90/84/388859084.db2.gz ZWGIBCSCOCGLCH-UEKVPHQBSA-N 0 3 233.330 3.543 20 0 BHADHN C[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)[C@H]1C ZINC000555642593 388858421 /nfs/dbraw/zinc/85/84/21/388858421.db2.gz ZWGIBCSCOCGLCH-ZETOZRRWSA-N 0 3 233.330 3.543 20 0 BHADHN F[C@@H]1CCC[C@@H]1NCc1csc2ccccc12 ZINC000555643811 325767660 /nfs/dbraw/zinc/76/76/60/325767660.db2.gz GUZCGWBMLZQKRI-OLZOCXBDSA-N 0 3 249.354 3.882 20 0 BHADHN F[C@H]1CCC[C@H]1NCc1csc2ccccc12 ZINC000555644488 388859062 /nfs/dbraw/zinc/85/90/62/388859062.db2.gz GUZCGWBMLZQKRI-QWHCGFSZSA-N 0 3 249.354 3.882 20 0 BHADHN Cc1cc(C)c(CN[C@@H]2CCC[C@@H]2F)c(C)c1 ZINC000555644639 388858141 /nfs/dbraw/zinc/85/81/41/388858141.db2.gz KUABRIKRTLDCSD-LSDHHAIUSA-N 0 3 235.346 3.592 20 0 BHADHN F[C@@H]1CCC[C@@H]1NCc1cc2ccccc2s1 ZINC000555644855 325767338 /nfs/dbraw/zinc/76/73/38/325767338.db2.gz NEKPIKDGYGUXOG-OLZOCXBDSA-N 0 3 249.354 3.882 20 0 BHADHN F[C@H]1CCC[C@H]1NCc1cccc2ccccc21 ZINC000555645181 388858545 /nfs/dbraw/zinc/85/85/45/388858545.db2.gz SJZVGORODSLVQP-JKSUJKDBSA-N 0 3 243.325 3.820 20 0 BHADHN F[C@@H]1CCC[C@@H]1NCc1ccc(C2CCC2)cc1 ZINC000555645433 490196462 /nfs/dbraw/zinc/19/64/62/490196462.db2.gz ZIFBNPOKTAOCHN-CVEARBPZSA-N 0 3 247.357 3.934 20 0 BHADHN FC[C@@H]1CCCN1Cc1cccc2ccccc21 ZINC000555696641 388860361 /nfs/dbraw/zinc/86/03/61/388860361.db2.gz KAQFBCRJXICSSW-HNNXBMFYSA-N 0 3 243.325 3.774 20 0 BHADHN FC[C@H]1CCCN1Cc1cccc2ccccc21 ZINC000555696642 388860191 /nfs/dbraw/zinc/86/01/91/388860191.db2.gz KAQFBCRJXICSSW-OAHLLOKOSA-N 0 3 243.325 3.774 20 0 BHADHN CCCCN(Cc1ccon1)C1CCCCC1 ZINC000555774530 388862282 /nfs/dbraw/zinc/86/22/82/388862282.db2.gz ARQNMDPSKMWHEY-UHFFFAOYSA-N 0 3 236.359 3.609 20 0 BHADHN CC[C@H](F)CN1CC[C@@H](c2ccc(C)cc2)C1 ZINC000555926261 388863107 /nfs/dbraw/zinc/86/31/07/388863107.db2.gz VZIFFDFROGHSRE-CABCVRRESA-N 0 3 235.346 3.532 20 0 BHADHN CC[C@H](F)CN1CC[C@H](c2ccc(C)cc2)C1 ZINC000555926263 388863627 /nfs/dbraw/zinc/86/36/27/388863627.db2.gz VZIFFDFROGHSRE-GJZGRUSLSA-N 0 3 235.346 3.532 20 0 BHADHN CC[C@@H](F)CN1CC[C@@H](c2ccc(C)cc2)C1 ZINC000555926265 388863460 /nfs/dbraw/zinc/86/34/60/388863460.db2.gz VZIFFDFROGHSRE-HUUCEWRRSA-N 0 3 235.346 3.532 20 0 BHADHN CC[C@@H](F)CN1CC[C@H](c2ccc(C)cc2)C1 ZINC000555926266 388863505 /nfs/dbraw/zinc/86/35/05/388863505.db2.gz VZIFFDFROGHSRE-LSDHHAIUSA-N 0 3 235.346 3.532 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1cccc(F)c1Cl ZINC000556113000 388867889 /nfs/dbraw/zinc/86/78/89/388867889.db2.gz MNJXRBGRJBLOHU-SECBINFHSA-N 0 3 241.737 3.709 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1cccc(F)c1Cl ZINC000556113001 388868610 /nfs/dbraw/zinc/86/86/10/388868610.db2.gz MNJXRBGRJBLOHU-VIFPVBQESA-N 0 3 241.737 3.709 20 0 BHADHN CC1(C)CCCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000556176866 388869695 /nfs/dbraw/zinc/86/96/95/388869695.db2.gz CUPSZSIUPXEXEN-CYBMUJFWSA-N 0 3 248.370 3.610 20 0 BHADHN CC1(C)CCCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000556176867 325783102 /nfs/dbraw/zinc/78/31/02/325783102.db2.gz CUPSZSIUPXEXEN-ZDUSSCGKSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H]1CC[C@H](N[C@@H](C)c2cc(C)on2)CC1 ZINC000556202892 388871051 /nfs/dbraw/zinc/87/10/51/388871051.db2.gz XMCOFAQKVAMXKK-AVGNSLFASA-N 0 3 236.359 3.602 20 0 BHADHN CC[C@H]1CC[C@H](N[C@H](C)c2cc(C)on2)CC1 ZINC000556202895 325784237 /nfs/dbraw/zinc/78/42/37/325784237.db2.gz XMCOFAQKVAMXKK-JHJVBQTASA-N 0 3 236.359 3.602 20 0 BHADHN CCCC[C@@H](CC)NCc1c(CC)noc1C ZINC000556222895 388871675 /nfs/dbraw/zinc/87/16/75/388871675.db2.gz KJCYMAHDZDVSDE-GFCCVEGCSA-N 0 3 238.375 3.604 20 0 BHADHN CCCC[C@H](CC)NCc1c(CC)noc1C ZINC000556222899 388872365 /nfs/dbraw/zinc/87/23/65/388872365.db2.gz KJCYMAHDZDVSDE-LBPRGKRZSA-N 0 3 238.375 3.604 20 0 BHADHN CC[C@@H](N[C@@H]1CCC[C@@H]1F)c1cccc(F)c1 ZINC000556252134 388872348 /nfs/dbraw/zinc/87/23/48/388872348.db2.gz HLFDXADLZYJSSS-BFHYXJOUSA-N 0 3 239.309 3.757 20 0 BHADHN Cc1cccc([C@H](C)N[C@H]2CCC[C@H]2F)c1C ZINC000556257064 325787882 /nfs/dbraw/zinc/78/78/82/325787882.db2.gz UQGCNOQFNMWDAC-CFVMTHIKSA-N 0 3 235.346 3.845 20 0 BHADHN Cc1cccc([C@@H](C)N[C@H]2CCC[C@H]2F)c1C ZINC000556257066 325787843 /nfs/dbraw/zinc/78/78/43/325787843.db2.gz UQGCNOQFNMWDAC-YUELXQCFSA-N 0 3 235.346 3.845 20 0 BHADHN Cc1ccccc1C1CC(N[C@H]2CCC[C@H]2F)C1 ZINC000556258988 388873587 /nfs/dbraw/zinc/87/35/87/388873587.db2.gz DXSOFIQSRPBDCK-GMEATFMZSA-N 0 3 247.357 3.721 20 0 BHADHN CC1(C)C[C@@H](N[C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000556259091 388872964 /nfs/dbraw/zinc/87/29/64/388872964.db2.gz GEDQYIMFSRHRLF-RRFJBIMHSA-N 0 3 247.357 3.889 20 0 BHADHN CC1(C)C[C@H](N[C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000556259093 325787475 /nfs/dbraw/zinc/78/74/75/325787475.db2.gz GEDQYIMFSRHRLF-ZNMIVQPWSA-N 0 3 247.357 3.889 20 0 BHADHN C[C@H]1C[C@@H](N[C@H]2CCC[C@H]2F)c2ccccc21 ZINC000556259693 388873140 /nfs/dbraw/zinc/87/31/40/388873140.db2.gz IOPXAKWXRWBKRA-OADPDTJPSA-N 0 3 233.330 3.715 20 0 BHADHN C[C@H]1C[C@H](N[C@H]2CCC[C@H]2F)c2ccccc21 ZINC000556259704 388873463 /nfs/dbraw/zinc/87/34/63/388873463.db2.gz IOPXAKWXRWBKRA-PUPMMZHASA-N 0 3 233.330 3.715 20 0 BHADHN C[C@@H]1C[C@@H](N[C@H]2CCC[C@H]2F)c2ccccc21 ZINC000556259707 388873797 /nfs/dbraw/zinc/87/37/97/388873797.db2.gz IOPXAKWXRWBKRA-QPKOPYBWSA-N 0 3 233.330 3.715 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2F)c(C)c1 ZINC000556261361 325788235 /nfs/dbraw/zinc/78/82/35/325788235.db2.gz QBLUQCSBWROGJE-AEGPPILISA-N 0 3 235.346 3.845 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CCC[C@H]2F)c(C)c1 ZINC000556261362 388872397 /nfs/dbraw/zinc/87/23/97/388872397.db2.gz QBLUQCSBWROGJE-CFVMTHIKSA-N 0 3 235.346 3.845 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)c(C)c1 ZINC000556261363 325786369 /nfs/dbraw/zinc/78/63/69/325786369.db2.gz QBLUQCSBWROGJE-VHDGCEQUSA-N 0 3 235.346 3.845 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2CCC[C@H]2F)c(C)c1 ZINC000556261364 388872507 /nfs/dbraw/zinc/87/25/07/388872507.db2.gz QBLUQCSBWROGJE-YUELXQCFSA-N 0 3 235.346 3.845 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc2c(c1)CCC2 ZINC000556262777 325788107 /nfs/dbraw/zinc/78/81/07/325788107.db2.gz WXWRFVOMWQWQJL-KNXALSJPSA-N 0 3 247.357 3.717 20 0 BHADHN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccc2c(c1)CCC2 ZINC000556262778 325788846 /nfs/dbraw/zinc/78/88/46/325788846.db2.gz WXWRFVOMWQWQJL-LYRGGWFBSA-N 0 3 247.357 3.717 20 0 BHADHN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc2c(c1)CCC2 ZINC000556262779 388872734 /nfs/dbraw/zinc/87/27/34/388872734.db2.gz WXWRFVOMWQWQJL-XFBWCDHKSA-N 0 3 247.357 3.717 20 0 BHADHN C[C@H](N[C@H]1CCC[C@H]1F)c1ccc2c(c1)CCC2 ZINC000556262780 325788542 /nfs/dbraw/zinc/78/85/42/325788542.db2.gz WXWRFVOMWQWQJL-XZJROXQQSA-N 0 3 247.357 3.717 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCCCC2(C)C)no1 ZINC000556263308 325788893 /nfs/dbraw/zinc/78/88/93/325788893.db2.gz GBLNLCSKHAMLIX-AAEUAGOBSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CCCCC2(C)C)no1 ZINC000556263309 325788942 /nfs/dbraw/zinc/78/89/42/325788942.db2.gz GBLNLCSKHAMLIX-DGCLKSJQSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCCCC2(C)C)no1 ZINC000556263310 388873477 /nfs/dbraw/zinc/87/34/77/388873477.db2.gz GBLNLCSKHAMLIX-WCQYABFASA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CCCCC2(C)C)no1 ZINC000556263311 325788613 /nfs/dbraw/zinc/78/86/13/325788613.db2.gz GBLNLCSKHAMLIX-YPMHNXCESA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cc([C@@H](C)NCC2(C)CCCCC2)no1 ZINC000556264543 388873263 /nfs/dbraw/zinc/87/32/63/388873263.db2.gz OXSPKSSQKRNAFA-GFCCVEGCSA-N 0 3 236.359 3.604 20 0 BHADHN Cc1cc([C@H](C)NCC2(C)CCCCC2)no1 ZINC000556264544 388873690 /nfs/dbraw/zinc/87/36/90/388873690.db2.gz OXSPKSSQKRNAFA-LBPRGKRZSA-N 0 3 236.359 3.604 20 0 BHADHN FC(F)(F)CC1CCN([C@@H]2C=CCCC2)CC1 ZINC000556506309 322914720 /nfs/dbraw/zinc/91/47/20/322914720.db2.gz RHZVKVFNEZNJOZ-GFCCVEGCSA-N 0 3 247.304 3.760 20 0 BHADHN FC(F)(F)CC1CCN([C@H]2C=CCCC2)CC1 ZINC000556506313 384416817 /nfs/dbraw/zinc/41/68/17/384416817.db2.gz RHZVKVFNEZNJOZ-LBPRGKRZSA-N 0 3 247.304 3.760 20 0 BHADHN CCCCCN1CCC(CC(F)(F)F)CC1 ZINC000556508176 384418452 /nfs/dbraw/zinc/41/84/52/384418452.db2.gz UOEBFFIEUQUUIQ-UHFFFAOYSA-N 0 3 237.309 3.841 20 0 BHADHN CC1(C)CC[C@H]1NC1(c2cccc(F)c2)CC1 ZINC000556585016 322916313 /nfs/dbraw/zinc/91/63/13/322916313.db2.gz DQQOYJFOMWYMBU-CYBMUJFWSA-N 0 3 233.330 3.593 20 0 BHADHN CC1(C)CC[C@@H]1NC1(c2cccc(F)c2)CC1 ZINC000556585017 384431101 /nfs/dbraw/zinc/43/11/01/384431101.db2.gz DQQOYJFOMWYMBU-ZDUSSCGKSA-N 0 3 233.330 3.593 20 0 BHADHN CCCCCN(Cc1cnccn1)[C@@H](C)CCC ZINC000556773415 384477961 /nfs/dbraw/zinc/47/79/61/384477961.db2.gz JIUAQPMYVKQYRL-AWEZNQCLSA-N 0 3 249.402 3.657 20 0 BHADHN CCCCCN(Cc1cnccn1)[C@H](C)CCC ZINC000556773416 384476627 /nfs/dbraw/zinc/47/66/27/384476627.db2.gz JIUAQPMYVKQYRL-CQSZACIVSA-N 0 3 249.402 3.657 20 0 BHADHN Cc1cc(C)nc(N[C@@H]2CC=C(C)CC2)c1 ZINC000556833888 322928375 /nfs/dbraw/zinc/92/83/75/322928375.db2.gz UVMAPKTVZYHTIK-CYBMUJFWSA-N 0 3 216.328 3.609 20 0 BHADHN Cc1cc(C)nc(N[C@H]2CC=C(C)CC2)c1 ZINC000556833889 322928325 /nfs/dbraw/zinc/92/83/25/322928325.db2.gz UVMAPKTVZYHTIK-ZDUSSCGKSA-N 0 3 216.328 3.609 20 0 BHADHN Cc1ccnc([C@H](C)NCCC2=CCCCC2)c1 ZINC000556859084 384535375 /nfs/dbraw/zinc/53/53/75/384535375.db2.gz WXKXOHZSHJCLJG-AWEZNQCLSA-N 0 3 244.382 3.931 20 0 BHADHN Cc1ccnc([C@@H](C)NCCC2=CCCCC2)c1 ZINC000556859087 322929213 /nfs/dbraw/zinc/92/92/13/322929213.db2.gz WXKXOHZSHJCLJG-CQSZACIVSA-N 0 3 244.382 3.931 20 0 BHADHN CCCC[C@@H](CCC)CN[C@H](C)c1ncc[nH]1 ZINC000556867686 322929627 /nfs/dbraw/zinc/92/96/27/322929627.db2.gz IDMGMMNLXJUASV-CHWSQXEVSA-N 0 3 237.391 3.667 20 0 BHADHN CCCC[C@H](CCC)CN[C@H](C)c1ncc[nH]1 ZINC000556867693 384560575 /nfs/dbraw/zinc/56/05/75/384560575.db2.gz IDMGMMNLXJUASV-OLZOCXBDSA-N 0 3 237.391 3.667 20 0 BHADHN CCCC[C@@H](CCC)CN[C@@H](C)c1ncc[nH]1 ZINC000556867694 384560333 /nfs/dbraw/zinc/56/03/33/384560333.db2.gz IDMGMMNLXJUASV-QWHCGFSZSA-N 0 3 237.391 3.667 20 0 BHADHN CCCC[C@H](CCC)CN[C@@H](C)c1ncc[nH]1 ZINC000556867695 384560755 /nfs/dbraw/zinc/56/07/55/384560755.db2.gz IDMGMMNLXJUASV-STQMWFEESA-N 0 3 237.391 3.667 20 0 BHADHN C[C@H](N[C@@H](C)[C@@H](C)C1CCCCC1)c1ncc[nH]1 ZINC000556869677 322929785 /nfs/dbraw/zinc/92/97/85/322929785.db2.gz JUEPYSUJPXIZDU-AGIUHOORSA-N 0 3 249.402 3.665 20 0 BHADHN C[C@@H]([C@H](C)N[C@@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000556869681 384566811 /nfs/dbraw/zinc/56/68/11/384566811.db2.gz JUEPYSUJPXIZDU-AVGNSLFASA-N 0 3 249.402 3.665 20 0 BHADHN C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@@H](C)C1CCCCC1 ZINC000556869682 384569448 /nfs/dbraw/zinc/56/94/48/384569448.db2.gz JUEPYSUJPXIZDU-UPJWGTAASA-N 0 3 249.402 3.665 20 0 BHADHN C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@H](C)C1CCCCC1 ZINC000556869684 322929746 /nfs/dbraw/zinc/92/97/46/322929746.db2.gz JUEPYSUJPXIZDU-XQQFMLRXSA-N 0 3 249.402 3.665 20 0 BHADHN Cc1ccnc([C@@H](C)NCCCC(C)(C)C)c1 ZINC000556876777 384587781 /nfs/dbraw/zinc/58/77/81/384587781.db2.gz BJECZHGWBXJPAX-CYBMUJFWSA-N 0 3 234.387 3.867 20 0 BHADHN Cc1ccnc([C@H](C)NCCCC(C)(C)C)c1 ZINC000556876788 322930108 /nfs/dbraw/zinc/93/01/08/322930108.db2.gz BJECZHGWBXJPAX-ZDUSSCGKSA-N 0 3 234.387 3.867 20 0 BHADHN C[C@@H](NCC(C)(C)C1CCCCC1)c1ncc[nH]1 ZINC000556883032 384597149 /nfs/dbraw/zinc/59/71/49/384597149.db2.gz AKABNDMURFMAAH-GFCCVEGCSA-N 0 3 249.402 3.667 20 0 BHADHN C[C@H](NCC(C)(C)C1CCCCC1)c1ncc[nH]1 ZINC000556883034 322930115 /nfs/dbraw/zinc/93/01/15/322930115.db2.gz AKABNDMURFMAAH-LBPRGKRZSA-N 0 3 249.402 3.667 20 0 BHADHN Cc1ccc(CNCC2(F)CC2)c2ccccc12 ZINC000556895629 384622771 /nfs/dbraw/zinc/62/27/71/384622771.db2.gz CZTWOMJYQYQYPH-UHFFFAOYSA-N 0 3 243.325 3.740 20 0 BHADHN CC(C)[C@H]1CC[C@@H]1NC1(c2ccccc2F)CC1 ZINC000556895976 322930620 /nfs/dbraw/zinc/93/06/20/322930620.db2.gz VJGBZRPWKUYGEQ-DOMZBBRYSA-N 0 3 247.357 3.839 20 0 BHADHN CC(C)[C@H]1CC[C@H]1NC1(c2ccccc2F)CC1 ZINC000556895977 384621952 /nfs/dbraw/zinc/62/19/52/384621952.db2.gz VJGBZRPWKUYGEQ-IUODEOHRSA-N 0 3 247.357 3.839 20 0 BHADHN CC(C)[C@@H]1CC[C@H]1NC1(c2ccccc2F)CC1 ZINC000556895978 384621003 /nfs/dbraw/zinc/62/10/03/384621003.db2.gz VJGBZRPWKUYGEQ-SWLSCSKDSA-N 0 3 247.357 3.839 20 0 BHADHN CC(C)[C@@H]1CC[C@@H]1NC1(c2ccccc2F)CC1 ZINC000556895979 384622424 /nfs/dbraw/zinc/62/24/24/384622424.db2.gz VJGBZRPWKUYGEQ-WFASDCNBSA-N 0 3 247.357 3.839 20 0 BHADHN CC[C@@H](CN1CCC[C@@H]1CF)c1ccccc1 ZINC000556950556 384679329 /nfs/dbraw/zinc/67/93/29/384679329.db2.gz CWPMYDPZPIYABP-DZGCQCFKSA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@H](CN1CCC[C@H]1CF)c1ccccc1 ZINC000556950557 384679780 /nfs/dbraw/zinc/67/97/80/384679780.db2.gz CWPMYDPZPIYABP-HIFRSBDPSA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@H](CN1CCC[C@@H]1CF)c1ccccc1 ZINC000556950558 384678251 /nfs/dbraw/zinc/67/82/51/384678251.db2.gz CWPMYDPZPIYABP-UKRRQHHQSA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@@H](CN1CCC[C@H]1CF)c1ccccc1 ZINC000556950559 384678797 /nfs/dbraw/zinc/67/87/97/384678797.db2.gz CWPMYDPZPIYABP-ZFWWWQNUSA-N 0 3 235.346 3.614 20 0 BHADHN CCCCN(Cc1cc[nH]n1)[C@@H]1CCC[C@H](C)C1 ZINC000556950783 384678268 /nfs/dbraw/zinc/67/82/68/384678268.db2.gz RCQBUIFRFWUJQQ-DZGCQCFKSA-N 0 3 249.402 3.591 20 0 BHADHN CCCCN(Cc1cc[nH]n1)[C@H]1CCC[C@@H](C)C1 ZINC000556950784 384679905 /nfs/dbraw/zinc/67/99/05/384679905.db2.gz RCQBUIFRFWUJQQ-HIFRSBDPSA-N 0 3 249.402 3.591 20 0 BHADHN CCCCN(Cc1cc[nH]n1)[C@@H]1CCC[C@@H](C)C1 ZINC000556950785 384678437 /nfs/dbraw/zinc/67/84/37/384678437.db2.gz RCQBUIFRFWUJQQ-UKRRQHHQSA-N 0 3 249.402 3.591 20 0 BHADHN CCCCN(Cc1cc[nH]n1)[C@H]1CCC[C@H](C)C1 ZINC000556950786 384677695 /nfs/dbraw/zinc/67/76/95/384677695.db2.gz RCQBUIFRFWUJQQ-ZFWWWQNUSA-N 0 3 249.402 3.591 20 0 BHADHN CC(C)c1ccc(CCN[C@H]2CCC[C@H]2F)cc1 ZINC000556965837 322932583 /nfs/dbraw/zinc/93/25/83/322932583.db2.gz OXMGIVVJPFQROX-CVEARBPZSA-N 0 3 249.373 3.833 20 0 BHADHN CCCN(C)Cc1ccccc1OCC(C)C ZINC000556989494 384734641 /nfs/dbraw/zinc/73/46/41/384734641.db2.gz DDYUDKWFKKFIPV-UHFFFAOYSA-N 0 3 235.371 3.563 20 0 BHADHN CCc1ccc(CN2CC[C@@H](C)C(C)(C)C2)nc1 ZINC000557025956 384754352 /nfs/dbraw/zinc/75/43/52/384754352.db2.gz VRKDRBISXMIOBM-CYBMUJFWSA-N 0 3 246.398 3.512 20 0 BHADHN CCc1ccc(CN2CC[C@H](C)C(C)(C)C2)nc1 ZINC000557025957 384753416 /nfs/dbraw/zinc/75/34/16/384753416.db2.gz VRKDRBISXMIOBM-ZDUSSCGKSA-N 0 3 246.398 3.512 20 0 BHADHN CCc1nocc1CNCCC1=CCCCCC1 ZINC000557038918 384762141 /nfs/dbraw/zinc/76/21/41/384762141.db2.gz PZMUJXQRWOIABS-UHFFFAOYSA-N 0 3 248.370 3.607 20 0 BHADHN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000557046679 384769335 /nfs/dbraw/zinc/76/93/35/384769335.db2.gz XHODTSPBOGMVNE-NXEZZACHSA-N 0 3 243.272 3.546 20 0 BHADHN C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000557046681 384770571 /nfs/dbraw/zinc/77/05/71/384770571.db2.gz XHODTSPBOGMVNE-UWVGGRQHSA-N 0 3 243.272 3.546 20 0 BHADHN C[C@@H]1[C@@H](C)CN1Cc1ccc(C(F)(F)F)cc1 ZINC000557046682 384769935 /nfs/dbraw/zinc/76/99/35/384769935.db2.gz XHODTSPBOGMVNE-VHSXEESVSA-N 0 3 243.272 3.546 20 0 BHADHN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000557046684 384768710 /nfs/dbraw/zinc/76/87/10/384768710.db2.gz XHODTSPBOGMVNE-ZJUUUORDSA-N 0 3 243.272 3.546 20 0 BHADHN CC(C)CC(CC(C)C)N[C@H](C)c1cnccn1 ZINC000557264252 384899352 /nfs/dbraw/zinc/89/93/52/384899352.db2.gz WVSBYEFEFMKCKT-CYBMUJFWSA-N 0 3 249.402 3.588 20 0 BHADHN CC(C)CC(CC(C)C)N[C@@H](C)c1cnccn1 ZINC000557264253 384899165 /nfs/dbraw/zinc/89/91/65/384899165.db2.gz WVSBYEFEFMKCKT-ZDUSSCGKSA-N 0 3 249.402 3.588 20 0 BHADHN CCCCN(CCCC)Cc1cncc(F)c1 ZINC000558088456 385298198 /nfs/dbraw/zinc/29/81/98/385298198.db2.gz XZHAACRWPDSQJA-UHFFFAOYSA-N 0 3 238.350 3.623 20 0 BHADHN CC(C)CN1CC(C)(C)[C@H]1c1cccs1 ZINC000558177698 383833174 /nfs/dbraw/zinc/83/31/74/383833174.db2.gz MSZLKQSHGVAYPB-GFCCVEGCSA-N 0 3 223.385 3.787 20 0 BHADHN CC(C)CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000558177699 383831859 /nfs/dbraw/zinc/83/18/59/383831859.db2.gz MSZLKQSHGVAYPB-LBPRGKRZSA-N 0 3 223.385 3.787 20 0 BHADHN CC[C@@H]1CC[C@H]1NC1(c2ccccc2F)CC1 ZINC000558251971 383872917 /nfs/dbraw/zinc/87/29/17/383872917.db2.gz CBIHXTRFVDZEMZ-BXUZGUMPSA-N 0 3 233.330 3.593 20 0 BHADHN CC[C@H]1CC[C@@H]1NC1(c2ccccc2F)CC1 ZINC000558251972 322947978 /nfs/dbraw/zinc/94/79/78/322947978.db2.gz CBIHXTRFVDZEMZ-FZMZJTMJSA-N 0 3 233.330 3.593 20 0 BHADHN CC[C@@H]1CC[C@@H]1NC1(c2ccccc2F)CC1 ZINC000558251973 322947975 /nfs/dbraw/zinc/94/79/75/322947975.db2.gz CBIHXTRFVDZEMZ-RISCZKNCSA-N 0 3 233.330 3.593 20 0 BHADHN CC[C@H]1CC[C@H]1NC1(c2ccccc2F)CC1 ZINC000558251974 383875132 /nfs/dbraw/zinc/87/51/32/383875132.db2.gz CBIHXTRFVDZEMZ-SMDDNHRTSA-N 0 3 233.330 3.593 20 0 BHADHN CC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1cccc(F)c1 ZINC000558254866 322948068 /nfs/dbraw/zinc/94/80/68/322948068.db2.gz BVFRGFOGZDWDCG-TUAOUCFPSA-N 0 3 243.272 3.520 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)cc1 ZINC000558258946 383884016 /nfs/dbraw/zinc/88/40/16/383884016.db2.gz RVEJPGDUYFZZCB-ICCXJUOJSA-N 0 3 239.309 3.553 20 0 BHADHN CCc1ccc([C@H](C)N[C@H]2C[C@@H]2C(F)F)cc1 ZINC000558258948 322948098 /nfs/dbraw/zinc/94/80/98/322948098.db2.gz RVEJPGDUYFZZCB-XDTLVQLUSA-N 0 3 239.309 3.553 20 0 BHADHN CCC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000558259825 322948272 /nfs/dbraw/zinc/94/82/72/322948272.db2.gz XKRNNLFNVZMHTP-XQQFMLRXSA-N 0 3 239.309 3.771 20 0 BHADHN CC[C@@H]1CC[C@H]1N[C@@H]1COc2c1ccc(C)c2C ZINC000558260313 383889237 /nfs/dbraw/zinc/88/92/37/383889237.db2.gz ZTKSYPMMLBGUCV-BPLDGKMQSA-N 0 3 245.366 3.515 20 0 BHADHN CC[C@@H]1CC[C@@H]1N[C@H]1COc2c1ccc(C)c2C ZINC000558260314 383889591 /nfs/dbraw/zinc/88/95/91/383889591.db2.gz ZTKSYPMMLBGUCV-SNPRPXQTSA-N 0 3 245.366 3.515 20 0 BHADHN CC[C@@H]1CC[C@@H]1N[C@@H]1COc2c1ccc(C)c2C ZINC000558260315 383888238 /nfs/dbraw/zinc/88/82/38/383888238.db2.gz ZTKSYPMMLBGUCV-VHDGCEQUSA-N 0 3 245.366 3.515 20 0 BHADHN CC[C@@H]1CC[C@H]1N[C@H]1COc2c1ccc(C)c2C ZINC000558260316 383889075 /nfs/dbraw/zinc/88/90/75/383889075.db2.gz ZTKSYPMMLBGUCV-YUELXQCFSA-N 0 3 245.366 3.515 20 0 BHADHN Cc1ccc(C)c([C@H](C)N[C@H]2C[C@@H]2C(F)F)c1 ZINC000558260467 383892101 /nfs/dbraw/zinc/89/21/01/383892101.db2.gz WIUFARARQBXZLP-DRZSPHRISA-N 0 3 239.309 3.608 20 0 BHADHN Cc1ccc(C)c([C@@H](C)N[C@H]2C[C@@H]2C(F)F)c1 ZINC000558260471 322948319 /nfs/dbraw/zinc/94/83/19/322948319.db2.gz WIUFARARQBXZLP-WXHSDQCUSA-N 0 3 239.309 3.608 20 0 BHADHN CCc1nc2ccccc2c(N2CCCC2)c1C ZINC000558393224 383978333 /nfs/dbraw/zinc/97/83/33/383978333.db2.gz HUYOAHZKAUYADA-UHFFFAOYSA-N 0 3 240.350 3.706 20 0 BHADHN CC[C@H]1CC[C@H]1Nc1ccc(C)cc1CN(C)C ZINC000558402688 383984391 /nfs/dbraw/zinc/98/43/91/383984391.db2.gz HHROIKZHXFVUHG-DZGCQCFKSA-N 0 3 246.398 3.657 20 0 BHADHN CC[C@@H]1CC[C@@H]1Nc1ccc(C)cc1CN(C)C ZINC000558402689 322949529 /nfs/dbraw/zinc/94/95/29/322949529.db2.gz HHROIKZHXFVUHG-HIFRSBDPSA-N 0 3 246.398 3.657 20 0 BHADHN CC[C@@H]1CC[C@H]1Nc1ccc(C)cc1CN(C)C ZINC000558402690 383984718 /nfs/dbraw/zinc/98/47/18/383984718.db2.gz HHROIKZHXFVUHG-UKRRQHHQSA-N 0 3 246.398 3.657 20 0 BHADHN CC[C@H]1CC[C@@H]1Nc1ccc(C)cc1CN(C)C ZINC000558402691 322949490 /nfs/dbraw/zinc/94/94/90/322949490.db2.gz HHROIKZHXFVUHG-ZFWWWQNUSA-N 0 3 246.398 3.657 20 0 BHADHN C[C@H](N(C)Cc1ccc(Cl)cn1)C(C)(C)C ZINC000558408406 383990092 /nfs/dbraw/zinc/99/00/92/383990092.db2.gz IYZJWCRHIYLCDB-JTQLQIEISA-N 0 3 240.778 3.601 20 0 BHADHN C[C@@H](N(C)Cc1ccc(Cl)cn1)C(C)(C)C ZINC000558408408 383989271 /nfs/dbraw/zinc/98/92/71/383989271.db2.gz IYZJWCRHIYLCDB-SNVBAGLBSA-N 0 3 240.778 3.601 20 0 BHADHN CC[C@@H](C)CN(CC)Cc1ccc(Cl)cn1 ZINC000558410313 383993418 /nfs/dbraw/zinc/99/34/18/383993418.db2.gz PVWHDQSRLMXKRY-LLVKDONJSA-N 0 3 240.778 3.603 20 0 BHADHN CC[C@H](C)CN(CC)Cc1ccc(Cl)cn1 ZINC000558410315 383992467 /nfs/dbraw/zinc/99/24/67/383992467.db2.gz PVWHDQSRLMXKRY-NSHDSACASA-N 0 3 240.778 3.603 20 0 BHADHN Fc1ccc(/C=C\CN2CC(C3CCC3)C2)cc1 ZINC000558412863 322949744 /nfs/dbraw/zinc/94/97/44/322949744.db2.gz QXQACLHOQICMLE-IHWYPQMZSA-N 0 3 245.341 3.571 20 0 BHADHN Fc1ccc(/C=C/CN2CC(C3CCC3)C2)cc1 ZINC000558412864 383994390 /nfs/dbraw/zinc/99/43/90/383994390.db2.gz QXQACLHOQICMLE-NSCUHMNNSA-N 0 3 245.341 3.571 20 0 BHADHN CC(C)(C)CN(Cc1cocn1)CC(C)(C)C ZINC000558424086 383998132 /nfs/dbraw/zinc/99/81/32/383998132.db2.gz VFZURRCWNLQQEN-UHFFFAOYSA-N 0 3 238.375 3.569 20 0 BHADHN CC(C)(CNCc1ccccc1F)C(F)(F)F ZINC000558680856 322953521 /nfs/dbraw/zinc/95/35/21/322953521.db2.gz QZCSAVULZIBQOS-UHFFFAOYSA-N 0 3 249.251 3.504 20 0 BHADHN CC(C)(CNCc1ccc(F)cc1)C(F)(F)F ZINC000558680873 491122758 /nfs/dbraw/zinc/12/27/58/491122758.db2.gz ZBLZBXRYADRGOT-UHFFFAOYSA-N 0 3 249.251 3.504 20 0 BHADHN CC1=C(c2ccco2)CN([C@H]2C=CCCC2)CC1 ZINC000558734949 384268227 /nfs/dbraw/zinc/26/82/27/384268227.db2.gz XNDUVHKCCOIPIO-AWEZNQCLSA-N 0 3 243.350 3.868 20 0 BHADHN CC1=C(c2ccco2)CN([C@@H]2C=CCCC2)CC1 ZINC000558734972 384266577 /nfs/dbraw/zinc/26/65/77/384266577.db2.gz XNDUVHKCCOIPIO-CQSZACIVSA-N 0 3 243.350 3.868 20 0 BHADHN CC(C)C1CC(N[C@H](C)c2cnn(C(C)C)c2)C1 ZINC000559001206 384467135 /nfs/dbraw/zinc/46/71/35/384467135.db2.gz CYUGUAUXCIENJT-DNOWBOINSA-N 0 3 249.402 3.549 20 0 BHADHN CC(C)C1CC(N[C@@H](C)c2cnn(C(C)C)c2)C1 ZINC000559001208 384467420 /nfs/dbraw/zinc/46/74/20/384467420.db2.gz CYUGUAUXCIENJT-OPFPJEHXSA-N 0 3 249.402 3.549 20 0 BHADHN CN(Cc1cccc(F)c1Cl)C1CCCC1 ZINC000559037789 384494431 /nfs/dbraw/zinc/49/44/31/384494431.db2.gz WPNFRSMIPBDURE-UHFFFAOYSA-N 0 3 241.737 3.854 20 0 BHADHN CCc1nc(C(C)C)ccc1CN(C)CC(C)C ZINC000559049092 384500684 /nfs/dbraw/zinc/50/06/84/384500684.db2.gz FKAHBBMLDVWUIR-UHFFFAOYSA-N 0 3 248.414 3.855 20 0 BHADHN C[C@H](C1CCCCC1)N(C)Cc1cncs1 ZINC000559072801 398264144 /nfs/dbraw/zinc/26/41/44/398264144.db2.gz LTSALYLNRABYDP-LLVKDONJSA-N 0 3 238.400 3.544 20 0 BHADHN CC1CN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000559073828 384518045 /nfs/dbraw/zinc/51/80/45/384518045.db2.gz YCLLARDNWCEPQT-UHFFFAOYSA-N 0 3 237.346 3.805 20 0 BHADHN CCc1ccc(CN2CCC(C(C)C)CC2)nc1 ZINC000559105826 344127358 /nfs/dbraw/zinc/12/73/58/344127358.db2.gz HSKMKCVIOVPPDE-UHFFFAOYSA-N 0 3 246.398 3.512 20 0 BHADHN CN(Cc1cccc(O)c1)[C@H]1C=CCCCCC1 ZINC000559106840 384551425 /nfs/dbraw/zinc/55/14/25/384551425.db2.gz HUZLCYGHWLDAOC-HNNXBMFYSA-N 0 3 245.366 3.713 20 0 BHADHN CN(Cc1cccc(O)c1)[C@@H]1C=CCCCCC1 ZINC000559106841 384548765 /nfs/dbraw/zinc/54/87/65/384548765.db2.gz HUZLCYGHWLDAOC-OAHLLOKOSA-N 0 3 245.366 3.713 20 0 BHADHN CC[C@@H](C)N(C)Cc1cccc(F)c1Cl ZINC000559144689 384603475 /nfs/dbraw/zinc/60/34/75/384603475.db2.gz SRJCJPRWQCJRFX-SECBINFHSA-N 0 3 229.726 3.709 20 0 BHADHN CC[C@H](C)N(C)Cc1cccc(F)c1Cl ZINC000559144690 384604572 /nfs/dbraw/zinc/60/45/72/384604572.db2.gz SRJCJPRWQCJRFX-VIFPVBQESA-N 0 3 229.726 3.709 20 0 BHADHN c1cc2c(s1)CN([C@H]1C=CCCCCC1)CC2 ZINC000559145679 384603836 /nfs/dbraw/zinc/60/38/36/384603836.db2.gz PLXFCHFFMPMUDC-AWEZNQCLSA-N 0 3 247.407 3.995 20 0 BHADHN c1cc2c(s1)CN([C@@H]1C=CCCCCC1)CC2 ZINC000559145682 384605300 /nfs/dbraw/zinc/60/53/00/384605300.db2.gz PLXFCHFFMPMUDC-CQSZACIVSA-N 0 3 247.407 3.995 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1ccc(CC)cn1 ZINC000559247909 384866912 /nfs/dbraw/zinc/86/69/12/384866912.db2.gz NGGDPJUVMLGNED-CYBMUJFWSA-N 0 3 234.387 3.655 20 0 BHADHN CCCC[C@H](C)N(C)Cc1ccc(CC)cn1 ZINC000559247911 384867407 /nfs/dbraw/zinc/86/74/07/384867407.db2.gz NGGDPJUVMLGNED-ZDUSSCGKSA-N 0 3 234.387 3.655 20 0 BHADHN c1cc2c(o1)CCCN([C@H]1C=CCCCCC1)C2 ZINC000559247948 384866339 /nfs/dbraw/zinc/86/63/39/384866339.db2.gz JLFOZBRCPQJUMR-HNNXBMFYSA-N 0 3 245.366 3.917 20 0 BHADHN c1cc2c(o1)CCCN([C@@H]1C=CCCCCC1)C2 ZINC000559247949 384866997 /nfs/dbraw/zinc/86/69/97/384866997.db2.gz JLFOZBRCPQJUMR-OAHLLOKOSA-N 0 3 245.366 3.917 20 0 BHADHN Cc1ccoc1CN(C)[C@H]1C=CCCCCC1 ZINC000559248673 384875579 /nfs/dbraw/zinc/87/55/79/384875579.db2.gz XZJLSHXEDQXYJK-AWEZNQCLSA-N 0 3 233.355 3.909 20 0 BHADHN Cc1ccoc1CN(C)[C@@H]1C=CCCCCC1 ZINC000559248674 384880757 /nfs/dbraw/zinc/88/07/57/384880757.db2.gz XZJLSHXEDQXYJK-CQSZACIVSA-N 0 3 233.355 3.909 20 0 BHADHN CCC[C@@H](CC)NCc1cc(OC)ccc1F ZINC000559259883 398286707 /nfs/dbraw/zinc/28/67/07/398286707.db2.gz KBWOIYQKVWMSIU-GFCCVEGCSA-N 0 3 239.334 3.503 20 0 BHADHN CCC[C@H](CC)NCc1cc(OC)ccc1F ZINC000559259884 398286965 /nfs/dbraw/zinc/28/69/65/398286965.db2.gz KBWOIYQKVWMSIU-LBPRGKRZSA-N 0 3 239.334 3.503 20 0 BHADHN Cc1sccc1CNC/C=C/c1ccccc1 ZINC000559269984 384939181 /nfs/dbraw/zinc/93/91/81/384939181.db2.gz CIGAPOGKDRXXJF-VMPITWQZSA-N 0 3 243.375 3.860 20 0 BHADHN Cc1sccc1CNC/C=C\c1ccccc1 ZINC000559269985 322961420 /nfs/dbraw/zinc/96/14/20/322961420.db2.gz CIGAPOGKDRXXJF-YVMONPNESA-N 0 3 243.375 3.860 20 0 BHADHN CCCC[C@@H](CCC)CNCc1conc1C ZINC000559282265 384960832 /nfs/dbraw/zinc/96/08/32/384960832.db2.gz JCWQXEBPDNBTAP-CYBMUJFWSA-N 0 3 238.375 3.679 20 0 BHADHN CCCC[C@H](CCC)CNCc1conc1C ZINC000559282266 384960357 /nfs/dbraw/zinc/96/03/57/384960357.db2.gz JCWQXEBPDNBTAP-ZDUSSCGKSA-N 0 3 238.375 3.679 20 0 BHADHN Fc1ccccc1[C@H]1CCN([C@H]2C=CCCC2)C1 ZINC000559302336 385008578 /nfs/dbraw/zinc/00/85/78/385008578.db2.gz JVDDWRYZYUJNDP-KBPBESRZSA-N 0 3 245.341 3.724 20 0 BHADHN Fc1ccccc1[C@@H]1CCN([C@H]2C=CCCC2)C1 ZINC000559302369 385008339 /nfs/dbraw/zinc/00/83/39/385008339.db2.gz JVDDWRYZYUJNDP-KGLIPLIRSA-N 0 3 245.341 3.724 20 0 BHADHN Fc1ccccc1[C@H]1CCN([C@@H]2C=CCCC2)C1 ZINC000559302371 385005883 /nfs/dbraw/zinc/00/58/83/385005883.db2.gz JVDDWRYZYUJNDP-UONOGXRCSA-N 0 3 245.341 3.724 20 0 BHADHN Fc1ccccc1[C@@H]1CCN([C@@H]2C=CCCC2)C1 ZINC000559302372 385006965 /nfs/dbraw/zinc/00/69/65/385006965.db2.gz JVDDWRYZYUJNDP-ZIAGYGMSSA-N 0 3 245.341 3.724 20 0 BHADHN CC(C)(C)C1CC(NCc2ccccc2F)C1 ZINC000559321268 322962946 /nfs/dbraw/zinc/96/29/46/322962946.db2.gz FXMJQGZPSJFUCX-UHFFFAOYSA-N 0 3 235.346 3.740 20 0 BHADHN C[C@@H]1CN(C/C=C\c2ccc(Cl)cc2)[C@H]1C ZINC000559349957 383898577 /nfs/dbraw/zinc/89/85/77/383898577.db2.gz VYYZRVOZFVIOJJ-BKGLOODYSA-N 0 3 235.758 3.693 20 0 BHADHN C[C@@H]1CN(C/C=C/c2ccc(Cl)cc2)[C@@H]1C ZINC000559349958 383898697 /nfs/dbraw/zinc/89/86/97/383898697.db2.gz VYYZRVOZFVIOJJ-BLDJZWNYSA-N 0 3 235.758 3.693 20 0 BHADHN C[C@@H]1CN(C/C=C/c2ccc(Cl)cc2)[C@H]1C ZINC000559349959 383899877 /nfs/dbraw/zinc/89/98/77/383899877.db2.gz VYYZRVOZFVIOJJ-LXYZTQFVSA-N 0 3 235.758 3.693 20 0 BHADHN C[C@@H]1CN(C/C=C\c2ccc(Cl)cc2)[C@@H]1C ZINC000559349960 383899955 /nfs/dbraw/zinc/89/99/55/383899955.db2.gz VYYZRVOZFVIOJJ-OPVGQWETSA-N 0 3 235.758 3.693 20 0 BHADHN C[C@H](c1ccccc1Cl)N1C[C@@H](C)[C@H]1C ZINC000559350515 383919336 /nfs/dbraw/zinc/91/93/36/383919336.db2.gz NDNBNEBIKSSQKM-GMTAPVOTSA-N 0 3 223.747 3.741 20 0 BHADHN C[C@@H](c1ccccc1Cl)N1C[C@@H](C)[C@H]1C ZINC000559350519 383918703 /nfs/dbraw/zinc/91/87/03/383918703.db2.gz NDNBNEBIKSSQKM-MXWKQRLJSA-N 0 3 223.747 3.741 20 0 BHADHN C[C@H](c1ccccc1Cl)N1C[C@@H](C)[C@@H]1C ZINC000559350520 383918267 /nfs/dbraw/zinc/91/82/67/383918267.db2.gz NDNBNEBIKSSQKM-OUAUKWLOSA-N 0 3 223.747 3.741 20 0 BHADHN C[C@@H](c1ccccc1Cl)N1C[C@@H](C)[C@@H]1C ZINC000559350521 383919140 /nfs/dbraw/zinc/91/91/40/383919140.db2.gz NDNBNEBIKSSQKM-VWYCJHECSA-N 0 3 223.747 3.741 20 0 BHADHN CC(C)c1ccc(CN[C@H]2CCC[C@H]2F)cc1 ZINC000559358230 384184705 /nfs/dbraw/zinc/18/47/05/384184705.db2.gz GYVRYVUWECGYKY-CABCVRRESA-N 0 3 235.346 3.790 20 0 BHADHN F[C@H]1CCC[C@H]1NCc1ccc2ccccc2c1 ZINC000559359234 384185235 /nfs/dbraw/zinc/18/52/35/384185235.db2.gz PXBZOVNKOOVQRW-JKSUJKDBSA-N 0 3 243.325 3.820 20 0 BHADHN CCCC[C@@H](C)N(CCCC)Cc1ccon1 ZINC000559385599 384269025 /nfs/dbraw/zinc/26/90/25/384269025.db2.gz BQRIFOQOEBNWKV-CYBMUJFWSA-N 0 3 238.375 3.855 20 0 BHADHN CCCC[C@H](C)N(CCCC)Cc1ccon1 ZINC000559385602 384270054 /nfs/dbraw/zinc/27/00/54/384270054.db2.gz BQRIFOQOEBNWKV-ZDUSSCGKSA-N 0 3 238.375 3.855 20 0 BHADHN FC[C@@H]1CCCN1Cc1ccc(C2CCC2)cc1 ZINC000559410410 384899047 /nfs/dbraw/zinc/89/90/47/384899047.db2.gz CHLDIYDGIHABJL-INIZCTEOSA-N 0 3 247.357 3.888 20 0 BHADHN FC[C@H]1CCCN1Cc1ccc(C2CCC2)cc1 ZINC000559410412 384899101 /nfs/dbraw/zinc/89/91/01/384899101.db2.gz CHLDIYDGIHABJL-MRXNPFEDSA-N 0 3 247.357 3.888 20 0 BHADHN CC(C)c1ccc(CN2CCC[C@H]2CF)cc1 ZINC000559411850 384901336 /nfs/dbraw/zinc/90/13/36/384901336.db2.gz YWGBRKJWPBWTTA-HNNXBMFYSA-N 0 3 235.346 3.744 20 0 BHADHN CC(C)c1ccc(CN2CCC[C@@H]2CF)cc1 ZINC000559411852 384900868 /nfs/dbraw/zinc/90/08/68/384900868.db2.gz YWGBRKJWPBWTTA-OAHLLOKOSA-N 0 3 235.346 3.744 20 0 BHADHN Cc1cc(Cl)cc(C)c1CN1CCCC1 ZINC000559473139 384950212 /nfs/dbraw/zinc/95/02/12/384950212.db2.gz LABTWDFQWFKOPV-UHFFFAOYSA-N 0 3 223.747 3.553 20 0 BHADHN CCc1cnc(CN2CCCC23CCCCC3)o1 ZINC000559753499 385154487 /nfs/dbraw/zinc/15/44/87/385154487.db2.gz JJKMDDJFXQWHCG-UHFFFAOYSA-N 0 3 248.370 3.536 20 0 BHADHN CCN(Cc1ccccn1)[C@H]1C=CCCCCC1 ZINC000559793805 385177827 /nfs/dbraw/zinc/17/78/27/385177827.db2.gz PNLOGFACZFVCBZ-INIZCTEOSA-N 0 3 244.382 3.792 20 0 BHADHN CCN(Cc1ccccn1)[C@@H]1C=CCCCCC1 ZINC000559793806 385176469 /nfs/dbraw/zinc/17/64/69/385176469.db2.gz PNLOGFACZFVCBZ-MRXNPFEDSA-N 0 3 244.382 3.792 20 0 BHADHN Cc1cc([C@@H](C)NCC(C)(C)C(C)(C)C)no1 ZINC000559871292 322980578 /nfs/dbraw/zinc/98/05/78/322980578.db2.gz LJBMSQHJOORRPY-LLVKDONJSA-N 0 3 238.375 3.706 20 0 BHADHN Cc1cc([C@H](C)NCC(C)(C)C(C)(C)C)no1 ZINC000559871293 385205652 /nfs/dbraw/zinc/20/56/52/385205652.db2.gz LJBMSQHJOORRPY-NSHDSACASA-N 0 3 238.375 3.706 20 0 BHADHN CCCC(CCC)NCc1c(CC)noc1C ZINC000559881942 385209027 /nfs/dbraw/zinc/20/90/27/385209027.db2.gz FWLFJEGTUHDAGI-UHFFFAOYSA-N 0 3 238.375 3.604 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccncc1F)C(C)(C)C ZINC000559895674 385220693 /nfs/dbraw/zinc/22/06/93/385220693.db2.gz ZVVYJCCJZZUUHV-GWCFXTLKSA-N 0 3 238.350 3.696 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccncc1F)C(C)(C)C ZINC000559895675 385221026 /nfs/dbraw/zinc/22/10/26/385221026.db2.gz ZVVYJCCJZZUUHV-GXFFZTMASA-N 0 3 238.350 3.696 20 0 BHADHN CC[C@H](N[C@H](C)c1ccncc1F)C(C)(C)C ZINC000559895676 385220713 /nfs/dbraw/zinc/22/07/13/385220713.db2.gz ZVVYJCCJZZUUHV-MFKMUULPSA-N 0 3 238.350 3.696 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccncc1F)C(C)(C)C ZINC000559895677 385222026 /nfs/dbraw/zinc/22/20/26/385222026.db2.gz ZVVYJCCJZZUUHV-ZWNOBZJWSA-N 0 3 238.350 3.696 20 0 BHADHN C[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccco1 ZINC000559899147 385225221 /nfs/dbraw/zinc/22/52/21/385225221.db2.gz KNQQKPNNZKXQFS-SNPRPXQTSA-N 0 3 241.334 3.734 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1F)[C@@H](C)C2 ZINC000559913099 344547284 /nfs/dbraw/zinc/54/72/84/344547284.db2.gz DDZAOIZFBXUHFO-BJKJVOPESA-N 0 3 247.357 3.709 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1F)[C@H](C)C2 ZINC000559913100 344547184 /nfs/dbraw/zinc/54/71/84/344547184.db2.gz DDZAOIZFBXUHFO-BQDHKBFISA-N 0 3 247.357 3.709 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]1F)[C@H](C)C2 ZINC000559913101 344547258 /nfs/dbraw/zinc/54/72/58/344547258.db2.gz DDZAOIZFBXUHFO-FWYOQMDTSA-N 0 3 247.357 3.709 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]1F)[C@@H](C)C2 ZINC000559913102 344547080 /nfs/dbraw/zinc/54/70/80/344547080.db2.gz DDZAOIZFBXUHFO-MWNCTCPHSA-N 0 3 247.357 3.709 20 0 BHADHN CCc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)cc1 ZINC000559913312 344547055 /nfs/dbraw/zinc/54/70/55/344547055.db2.gz IDDBYGBXKORTAE-BYCMXARLSA-N 0 3 235.346 3.790 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H]2CCC[C@H]2F)cc1 ZINC000559913313 344547092 /nfs/dbraw/zinc/54/70/92/344547092.db2.gz IDDBYGBXKORTAE-DFBGVHRSSA-N 0 3 235.346 3.790 20 0 BHADHN CCc1ccc([C@H](C)N[C@H]2CCC[C@H]2F)cc1 ZINC000559913314 344547325 /nfs/dbraw/zinc/54/73/25/344547325.db2.gz IDDBYGBXKORTAE-GLQYFDAESA-N 0 3 235.346 3.790 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2F)cc1 ZINC000559913315 344547321 /nfs/dbraw/zinc/54/73/21/344547321.db2.gz IDDBYGBXKORTAE-TUKIKUTGSA-N 0 3 235.346 3.790 20 0 BHADHN Cc1ccc(C2CC(N[C@@H]3CCC[C@@H]3F)C2)cc1 ZINC000559913431 344547289 /nfs/dbraw/zinc/54/72/89/344547289.db2.gz KVNUXJIBCFFBEN-SSHXOBKSSA-N 0 3 247.357 3.721 20 0 BHADHN CC[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc(C)cc1 ZINC000559913811 344547682 /nfs/dbraw/zinc/54/76/82/344547682.db2.gz NPGYTZQBVCNASL-RRFJBIMHSA-N 0 3 235.346 3.926 20 0 BHADHN CC(C)[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000559914655 344548090 /nfs/dbraw/zinc/54/80/90/344548090.db2.gz GVRBAUHOVAKJQD-RRFJBIMHSA-N 0 3 235.346 3.864 20 0 BHADHN CC(C)[C@H](N[C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000559914657 344547725 /nfs/dbraw/zinc/54/77/25/344547725.db2.gz GVRBAUHOVAKJQD-ZNMIVQPWSA-N 0 3 235.346 3.864 20 0 BHADHN Cc1ccc(C)c([C@H](C)N[C@H]2CCC[C@H]2F)c1 ZINC000559916496 398331384 /nfs/dbraw/zinc/33/13/84/398331384.db2.gz RNEFIOOTPUQAQZ-CFVMTHIKSA-N 0 3 235.346 3.845 20 0 BHADHN Cc1ccc(C)c([C@@H](C)N[C@H]2CCC[C@H]2F)c1 ZINC000559916498 322981140 /nfs/dbraw/zinc/98/11/40/322981140.db2.gz RNEFIOOTPUQAQZ-YUELXQCFSA-N 0 3 235.346 3.845 20 0 BHADHN CC[C@@H](N[C@@H]1CCC[C@@H]1F)c1cccc(C)c1 ZINC000559919330 385229226 /nfs/dbraw/zinc/22/92/26/385229226.db2.gz MZVPBYLDUJXDLR-RRFJBIMHSA-N 0 3 235.346 3.926 20 0 BHADHN CC(C)CN(C)[C@@H](C)c1ccc(F)cc1F ZINC000559978889 385273054 /nfs/dbraw/zinc/27/30/54/385273054.db2.gz IAEPKTOOIHVOBZ-JTQLQIEISA-N 0 3 227.298 3.614 20 0 BHADHN CC(C)CN(C)[C@H](C)c1ccc(F)cc1F ZINC000559978890 385274556 /nfs/dbraw/zinc/27/45/56/385274556.db2.gz IAEPKTOOIHVOBZ-SNVBAGLBSA-N 0 3 227.298 3.614 20 0 BHADHN CN1CCCC[C@@H]1CCSc1cccs1 ZINC000559982140 385276114 /nfs/dbraw/zinc/27/61/14/385276114.db2.gz SOSIRKSHMNZERJ-LLVKDONJSA-N 0 3 241.425 3.715 20 0 BHADHN CN1CCCC[C@H]1CCSc1cccs1 ZINC000559982141 385276618 /nfs/dbraw/zinc/27/66/18/385276618.db2.gz SOSIRKSHMNZERJ-NSHDSACASA-N 0 3 241.425 3.715 20 0 BHADHN c1nc(C2CC2)sc1CNCC1=CCCCC1 ZINC000560140505 383925766 /nfs/dbraw/zinc/92/57/66/383925766.db2.gz NJXKWPKMUPEGDO-UHFFFAOYSA-N 0 3 248.395 3.611 20 0 BHADHN CN(CCCCCF)Cc1ccc(Cl)s1 ZINC000560156781 383934206 /nfs/dbraw/zinc/93/42/06/383934206.db2.gz AYUPRKLZOSCWQE-UHFFFAOYSA-N 0 3 249.782 3.973 20 0 BHADHN c1ccc(C2=CCCN([C@H]3C=CCCC3)C2)cc1 ZINC000560168829 383947889 /nfs/dbraw/zinc/94/78/89/383947889.db2.gz FWOYLQIKJQLIHE-KRWDZBQOSA-N 0 3 239.362 3.884 20 0 BHADHN c1ccc(C2=CCCN([C@@H]3C=CCCC3)C2)cc1 ZINC000560168830 383948112 /nfs/dbraw/zinc/94/81/12/383948112.db2.gz FWOYLQIKJQLIHE-QGZVFWFLSA-N 0 3 239.362 3.884 20 0 BHADHN Cc1ccc2c(c1)CN(CCC(C)(C)C)C2 ZINC000560197562 383966588 /nfs/dbraw/zinc/96/65/88/383966588.db2.gz GWLBUJJYPYNFPU-UHFFFAOYSA-N 0 3 217.356 3.747 20 0 BHADHN Cc1ccc(F)c(CN(C)CCCCCF)c1 ZINC000560198243 383967126 /nfs/dbraw/zinc/96/71/26/383967126.db2.gz KYBVCDALFASSAN-UHFFFAOYSA-N 0 3 241.325 3.706 20 0 BHADHN C[C@H](CCC(C)(C)C)NCc1ncccc1F ZINC000560237060 322984504 /nfs/dbraw/zinc/98/45/04/322984504.db2.gz LXWJQLVNMFZIHK-LLVKDONJSA-N 0 3 238.350 3.525 20 0 BHADHN C[C@@H](CCC(C)(C)C)NCc1ncccc1F ZINC000560237061 384000822 /nfs/dbraw/zinc/00/08/22/384000822.db2.gz LXWJQLVNMFZIHK-NSHDSACASA-N 0 3 238.350 3.525 20 0 BHADHN CCC1CC(NCc2ccccc2OC(C)C)C1 ZINC000560244647 384010891 /nfs/dbraw/zinc/01/08/91/384010891.db2.gz DMIZAOIKNXSCER-UHFFFAOYSA-N 0 3 247.382 3.752 20 0 BHADHN C[C@@H](CCC(C)(C)C)N[C@H]1CCCc2c[nH]nc21 ZINC000560244880 384009220 /nfs/dbraw/zinc/00/92/20/384009220.db2.gz QDLFIUAGXFRLGV-AAEUAGOBSA-N 0 3 249.402 3.592 20 0 BHADHN C[C@H](CCC(C)(C)C)N[C@@H]1CCCc2c[nH]nc21 ZINC000560244881 384011063 /nfs/dbraw/zinc/01/10/63/384011063.db2.gz QDLFIUAGXFRLGV-DGCLKSJQSA-N 0 3 249.402 3.592 20 0 BHADHN C[C@@H](CCC(C)(C)C)N[C@@H]1CCCc2c[nH]nc21 ZINC000560244882 384009814 /nfs/dbraw/zinc/00/98/14/384009814.db2.gz QDLFIUAGXFRLGV-WCQYABFASA-N 0 3 249.402 3.592 20 0 BHADHN C[C@H](CCC(C)(C)C)N[C@H]1CCCc2c[nH]nc21 ZINC000560244883 384011548 /nfs/dbraw/zinc/01/15/48/384011548.db2.gz QDLFIUAGXFRLGV-YPMHNXCESA-N 0 3 249.402 3.592 20 0 BHADHN CCOc1cc(C)ccc1CN[C@H]1CCC1(C)C ZINC000560246226 384013508 /nfs/dbraw/zinc/01/35/08/384013508.db2.gz ONORLMBVSHTHJO-HNNXBMFYSA-N 0 3 247.382 3.672 20 0 BHADHN CCOc1cc(C)ccc1CN[C@@H]1CCC1(C)C ZINC000560246227 384013025 /nfs/dbraw/zinc/01/30/25/384013025.db2.gz ONORLMBVSHTHJO-OAHLLOKOSA-N 0 3 247.382 3.672 20 0 BHADHN CC1(C)CC[C@H]1NC1(c2ccccc2F)CC1 ZINC000560246632 384013996 /nfs/dbraw/zinc/01/39/96/384013996.db2.gz QSGPMSPDYDQNTO-CYBMUJFWSA-N 0 3 233.330 3.593 20 0 BHADHN CC1(C)CC[C@@H]1NC1(c2ccccc2F)CC1 ZINC000560246634 384015074 /nfs/dbraw/zinc/01/50/74/384015074.db2.gz QSGPMSPDYDQNTO-ZDUSSCGKSA-N 0 3 233.330 3.593 20 0 BHADHN CCC1CC(NCc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000560249819 384016126 /nfs/dbraw/zinc/01/61/26/384016126.db2.gz URVLFPJERNXTAZ-BBCYWQGDSA-N 0 3 233.355 3.681 20 0 BHADHN CCC1CC(NCc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000560249821 384016199 /nfs/dbraw/zinc/01/61/99/384016199.db2.gz URVLFPJERNXTAZ-DLOFLVKXSA-N 0 3 233.355 3.681 20 0 BHADHN CCC1CC(NCc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000560249825 384018335 /nfs/dbraw/zinc/01/83/35/384018335.db2.gz URVLFPJERNXTAZ-MLCFOIATSA-N 0 3 233.355 3.681 20 0 BHADHN CCC1CC(NCc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000560249826 384017992 /nfs/dbraw/zinc/01/79/92/384017992.db2.gz URVLFPJERNXTAZ-NPZBDFSRSA-N 0 3 233.355 3.681 20 0 BHADHN CCC1CC(Nc2ccc(C)cc2CN(C)C)C1 ZINC000560260382 384026816 /nfs/dbraw/zinc/02/68/16/384026816.db2.gz SUMOJINDHLQUFX-UHFFFAOYSA-N 0 3 246.398 3.657 20 0 BHADHN CCC1(N[C@H](C)c2ccc(C)cc2OC)CC1 ZINC000560348509 384085050 /nfs/dbraw/zinc/08/50/50/384085050.db2.gz LKEBHYLPTAYEQC-GFCCVEGCSA-N 0 3 233.355 3.597 20 0 BHADHN CCC1(N[C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000560348510 384083940 /nfs/dbraw/zinc/08/39/40/384083940.db2.gz LKEBHYLPTAYEQC-LBPRGKRZSA-N 0 3 233.355 3.597 20 0 BHADHN CC1=CC[C@H](NCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000560469819 384154467 /nfs/dbraw/zinc/15/44/67/384154467.db2.gz RJWQKANGPFSXLT-IPYPFGDCSA-N 0 3 245.366 3.991 20 0 BHADHN CC1=CC[C@H](NCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000560469821 322988025 /nfs/dbraw/zinc/98/80/25/322988025.db2.gz RJWQKANGPFSXLT-KCQAQPDRSA-N 0 3 245.366 3.991 20 0 BHADHN CC1=CC[C@H](NCc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000560469823 322988071 /nfs/dbraw/zinc/98/80/71/322988071.db2.gz RJWQKANGPFSXLT-VNHYZAJKSA-N 0 3 245.366 3.991 20 0 BHADHN CC1=CC[C@H](NCc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000560469824 384154558 /nfs/dbraw/zinc/15/45/58/384154558.db2.gz RJWQKANGPFSXLT-YDHLFZDLSA-N 0 3 245.366 3.991 20 0 BHADHN CCC[C@H](C)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000560549411 384217025 /nfs/dbraw/zinc/21/70/25/384217025.db2.gz FOFQUYISVMDQKS-DZGCQCFKSA-N 0 3 246.398 3.901 20 0 BHADHN CCC[C@@H](C)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000560549416 384218243 /nfs/dbraw/zinc/21/82/43/384218243.db2.gz FOFQUYISVMDQKS-HIFRSBDPSA-N 0 3 246.398 3.901 20 0 BHADHN CCC[C@@H](C)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000560549421 384216428 /nfs/dbraw/zinc/21/64/28/384216428.db2.gz FOFQUYISVMDQKS-UKRRQHHQSA-N 0 3 246.398 3.901 20 0 BHADHN CCC[C@H](C)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000560549425 384216974 /nfs/dbraw/zinc/21/69/74/384216974.db2.gz FOFQUYISVMDQKS-ZFWWWQNUSA-N 0 3 246.398 3.901 20 0 BHADHN COc1ccc(CN2CC(C)(C)[C@@H]2C(C)C)cc1 ZINC000560556651 384224993 /nfs/dbraw/zinc/22/49/93/384224993.db2.gz ROEWVSOLZAWALP-HNNXBMFYSA-N 0 3 247.382 3.562 20 0 BHADHN COc1ccc(CN2CC(C)(C)[C@H]2C(C)C)cc1 ZINC000560556652 384223850 /nfs/dbraw/zinc/22/38/50/384223850.db2.gz ROEWVSOLZAWALP-OAHLLOKOSA-N 0 3 247.382 3.562 20 0 BHADHN CC(C)[C@H]1N(Cc2cccs2)CC1(C)C ZINC000560557074 384223259 /nfs/dbraw/zinc/22/32/59/384223259.db2.gz VHKSPRUJSKHEEA-GFCCVEGCSA-N 0 3 223.385 3.615 20 0 BHADHN CC(C)[C@@H]1N(Cc2cccs2)CC1(C)C ZINC000560557076 384223001 /nfs/dbraw/zinc/22/30/01/384223001.db2.gz VHKSPRUJSKHEEA-LBPRGKRZSA-N 0 3 223.385 3.615 20 0 BHADHN Cc1cccc(CN(C)CCOC(C)(C)C)c1C ZINC000560587620 384240984 /nfs/dbraw/zinc/24/09/84/384240984.db2.gz ZCIXHQTZOSXSMI-UHFFFAOYSA-N 0 3 249.398 3.550 20 0 BHADHN CCCC[C@@H](C)N(CCCC)Cc1cc[nH]n1 ZINC000560611731 384254763 /nfs/dbraw/zinc/25/47/63/384254763.db2.gz QDILRUKKPIVNIU-CYBMUJFWSA-N 0 3 237.391 3.591 20 0 BHADHN CCCC[C@H](C)N(CCCC)Cc1cc[nH]n1 ZINC000560611732 384252823 /nfs/dbraw/zinc/25/28/23/384252823.db2.gz QDILRUKKPIVNIU-ZDUSSCGKSA-N 0 3 237.391 3.591 20 0 BHADHN Clc1ccc(C2=CCN(C3CCC3)CC2)cc1 ZINC000560706596 384312135 /nfs/dbraw/zinc/31/21/35/384312135.db2.gz IDCZVNCMFRFAPA-UHFFFAOYSA-N 0 3 247.769 3.982 20 0 BHADHN C[C@@H]1CCCN(Cc2ccccc2Cl)CC1 ZINC000560829988 384378023 /nfs/dbraw/zinc/37/80/23/384378023.db2.gz NOYKTPVYKSXYPY-GFCCVEGCSA-N 0 3 237.774 3.962 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1nc2ccccc2s1 ZINC000560857283 384386724 /nfs/dbraw/zinc/38/67/24/384386724.db2.gz JHXUITLAANXHNY-JTQLQIEISA-N 0 3 246.379 3.527 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1nc2ccccc2s1 ZINC000560857284 384387654 /nfs/dbraw/zinc/38/76/54/384387654.db2.gz JHXUITLAANXHNY-SNVBAGLBSA-N 0 3 246.379 3.527 20 0 BHADHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)[C@H]1C[C@H]1C ZINC000560880265 322993109 /nfs/dbraw/zinc/99/31/09/322993109.db2.gz CPNFPFHLPKDYQC-AFCCXKIYSA-N 0 3 233.355 3.537 20 0 BHADHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)[C@H]1C[C@@H]1C ZINC000560880266 398337540 /nfs/dbraw/zinc/33/75/40/398337540.db2.gz CPNFPFHLPKDYQC-AXMVNOCNSA-N 0 3 233.355 3.537 20 0 BHADHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1C[C@@H]1C ZINC000560880267 384394386 /nfs/dbraw/zinc/39/43/86/384394386.db2.gz CPNFPFHLPKDYQC-LZFBMIIGSA-N 0 3 233.355 3.537 20 0 BHADHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1C[C@H]1C ZINC000560880268 384395056 /nfs/dbraw/zinc/39/50/56/384395056.db2.gz CPNFPFHLPKDYQC-XMKDAVRRSA-N 0 3 233.355 3.537 20 0 BHADHN Cc1occc1CN[C@H]1CCc2c1cccc2C ZINC000560885676 384396516 /nfs/dbraw/zinc/39/65/16/384396516.db2.gz ZWAIUGFHLYQBPN-INIZCTEOSA-N 0 3 241.334 3.674 20 0 BHADHN Cc1occc1CN[C@@H]1CCc2c1cccc2C ZINC000560885686 322993125 /nfs/dbraw/zinc/99/31/25/322993125.db2.gz ZWAIUGFHLYQBPN-MRXNPFEDSA-N 0 3 241.334 3.674 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2sccc2Cl)C1 ZINC000560984405 384434740 /nfs/dbraw/zinc/43/47/40/384434740.db2.gz JQHRRFVEUPSXRW-BDAKNGLRSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1sccc1Cl ZINC000560984407 384435168 /nfs/dbraw/zinc/43/51/68/384435168.db2.gz JQHRRFVEUPSXRW-DTWKUNHWSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2sccc2Cl)C1 ZINC000560984408 384436259 /nfs/dbraw/zinc/43/62/59/384436259.db2.gz JQHRRFVEUPSXRW-IUCAKERBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2sccc2Cl)C1 ZINC000560984409 384436019 /nfs/dbraw/zinc/43/60/19/384436019.db2.gz JQHRRFVEUPSXRW-RKDXNWHRSA-N 0 3 229.776 3.632 20 0 BHADHN Cc1cc(C)cc([C@H](C)N[C@H]2C[C@@H]2C(F)F)c1 ZINC000561347418 323000174 /nfs/dbraw/zinc/00/01/74/323000174.db2.gz HGCUIUJFEUSNCA-DRZSPHRISA-N 0 3 239.309 3.608 20 0 BHADHN Cc1cc(C)cc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)c1 ZINC000561347424 323000176 /nfs/dbraw/zinc/00/01/76/323000176.db2.gz HGCUIUJFEUSNCA-WXHSDQCUSA-N 0 3 239.309 3.608 20 0 BHADHN CCCN(Cc1ccccc1Cl)C(C)C ZINC000561810350 323007341 /nfs/dbraw/zinc/00/73/41/323007341.db2.gz IDLVEVIPLHUARP-UHFFFAOYSA-N 0 3 225.763 3.960 20 0 BHADHN CCCN(Cc1ccc(F)cc1F)C(C)C ZINC000561816636 323007557 /nfs/dbraw/zinc/00/75/57/323007557.db2.gz NECZNSDNNUBLBD-UHFFFAOYSA-N 0 3 227.298 3.585 20 0 BHADHN COc1ccc(C)cc1[C@@H](C)NC1(C2CC2)CC1 ZINC000561846953 323007901 /nfs/dbraw/zinc/00/79/01/323007901.db2.gz BVHZAMKQEDHABF-GFCCVEGCSA-N 0 3 245.366 3.597 20 0 BHADHN COc1ccc(C)cc1[C@H](C)NC1(C2CC2)CC1 ZINC000561846957 323007889 /nfs/dbraw/zinc/00/78/89/323007889.db2.gz BVHZAMKQEDHABF-LBPRGKRZSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1cccc([C@H](C)NCCOC2CCC2)c1C ZINC000561847786 323007883 /nfs/dbraw/zinc/00/78/83/323007883.db2.gz VDSCTCYGEDEWMK-AWEZNQCLSA-N 0 3 247.382 3.523 20 0 BHADHN Cc1cccc([C@@H](C)NCCOC2CCC2)c1C ZINC000561847787 323007907 /nfs/dbraw/zinc/00/79/07/323007907.db2.gz VDSCTCYGEDEWMK-CQSZACIVSA-N 0 3 247.382 3.523 20 0 BHADHN CN(CCCC1CCCCC1)Cc1ccc[nH]1 ZINC000561948515 323009181 /nfs/dbraw/zinc/00/91/81/323009181.db2.gz PLPSWDVZFYGIQE-UHFFFAOYSA-N 0 3 234.387 3.807 20 0 BHADHN CCc1ccc(CN2CCC(C(C)C)CC2)cn1 ZINC000561950237 323009067 /nfs/dbraw/zinc/00/90/67/323009067.db2.gz TVVUREOJIUNRLL-UHFFFAOYSA-N 0 3 246.398 3.512 20 0 BHADHN CC[C@@H](C)N1CCCn2c(cc3ccccc32)C1 ZINC000561951892 323009306 /nfs/dbraw/zinc/00/93/06/323009306.db2.gz PIPPXLFZGVUOHB-CYBMUJFWSA-N 0 3 242.366 3.646 20 0 BHADHN CC[C@H](C)N1CCCn2c(cc3ccccc32)C1 ZINC000561951893 323009281 /nfs/dbraw/zinc/00/92/81/323009281.db2.gz PIPPXLFZGVUOHB-ZDUSSCGKSA-N 0 3 242.366 3.646 20 0 BHADHN CCc1ccc(CN2CCC[C@H](C(C)C)C2)cn1 ZINC000561955573 323009511 /nfs/dbraw/zinc/00/95/11/323009511.db2.gz ZPRUTFHXIKOOHT-HNNXBMFYSA-N 0 3 246.398 3.512 20 0 BHADHN CCc1ccc(CN2CCC[C@@H](C(C)C)C2)cn1 ZINC000561955574 323009526 /nfs/dbraw/zinc/00/95/26/323009526.db2.gz ZPRUTFHXIKOOHT-OAHLLOKOSA-N 0 3 246.398 3.512 20 0 BHADHN C[C@H](F)CCN1CC(C)(C)[C@H]1c1cccs1 ZINC000561958216 323009358 /nfs/dbraw/zinc/00/93/58/323009358.db2.gz UDMKOTQTVLNNOD-CMPLNLGQSA-N 0 3 241.375 3.879 20 0 BHADHN C[C@H](F)CCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000561958218 323009318 /nfs/dbraw/zinc/00/93/18/323009318.db2.gz UDMKOTQTVLNNOD-JQWIXIFHSA-N 0 3 241.375 3.879 20 0 BHADHN C[C@@H](F)CCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000561958219 323009248 /nfs/dbraw/zinc/00/92/48/323009248.db2.gz UDMKOTQTVLNNOD-PWSUYJOCSA-N 0 3 241.375 3.879 20 0 BHADHN C[C@@H](F)CCN1CC(C)(C)[C@H]1c1cccs1 ZINC000561958222 323009267 /nfs/dbraw/zinc/00/92/67/323009267.db2.gz UDMKOTQTVLNNOD-ZYHUDNBSSA-N 0 3 241.375 3.879 20 0 BHADHN CC1(C)CN(CCCCF)[C@@H]1c1cccs1 ZINC000561960372 385183142 /nfs/dbraw/zinc/18/31/42/385183142.db2.gz RLXQDWCLADMKJC-GFCCVEGCSA-N 0 3 241.375 3.881 20 0 BHADHN CC1(C)CN(CCCCF)[C@H]1c1cccs1 ZINC000561960373 385183629 /nfs/dbraw/zinc/18/36/29/385183629.db2.gz RLXQDWCLADMKJC-LBPRGKRZSA-N 0 3 241.375 3.881 20 0 BHADHN CC(C)(C)[C@H]1CC[C@H]1NCc1ccccc1F ZINC000562020217 323010524 /nfs/dbraw/zinc/01/05/24/323010524.db2.gz TXNPBEGCTYHPEH-GXTWGEPZSA-N 0 3 235.346 3.740 20 0 BHADHN CC(C)(C)[C@H]1CC[C@@H]1NCc1ccccc1F ZINC000562020218 323010530 /nfs/dbraw/zinc/01/05/30/323010530.db2.gz TXNPBEGCTYHPEH-JSGCOSHPSA-N 0 3 235.346 3.740 20 0 BHADHN CC(C)(C)[C@@H]1CC[C@@H]1NCc1ccccc1F ZINC000562020219 323010546 /nfs/dbraw/zinc/01/05/46/323010546.db2.gz TXNPBEGCTYHPEH-OCCSQVGLSA-N 0 3 235.346 3.740 20 0 BHADHN CC(C)(C)[C@@H]1CC[C@H]1NCc1ccccc1F ZINC000562020220 323010560 /nfs/dbraw/zinc/01/05/60/323010560.db2.gz TXNPBEGCTYHPEH-TZMCWYRMSA-N 0 3 235.346 3.740 20 0 BHADHN CC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1cccc(C)c1 ZINC000562066980 323011463 /nfs/dbraw/zinc/01/14/63/323011463.db2.gz ZWAYVJRCZQASNA-XQQFMLRXSA-N 0 3 239.309 3.689 20 0 BHADHN CC1(CN2CCSC[C@H]2c2ccccc2)CC1 ZINC000562364529 323017922 /nfs/dbraw/zinc/01/79/22/323017922.db2.gz HQKFMKSMJCRTAJ-AWEZNQCLSA-N 0 3 247.407 3.577 20 0 BHADHN CC1(CN2CCSC[C@@H]2c2ccccc2)CC1 ZINC000562364530 323017953 /nfs/dbraw/zinc/01/79/53/323017953.db2.gz HQKFMKSMJCRTAJ-CQSZACIVSA-N 0 3 247.407 3.577 20 0 BHADHN CC(C)C[C@H](NC1CC(C)(C)C1)c1ccccn1 ZINC000562415668 323019570 /nfs/dbraw/zinc/01/95/70/323019570.db2.gz GVZCHIXEPFSCBX-HNNXBMFYSA-N 0 3 246.398 3.947 20 0 BHADHN CC(C)C[C@@H](NC1CC(C)(C)C1)c1ccccn1 ZINC000562415669 323019463 /nfs/dbraw/zinc/01/94/63/323019463.db2.gz GVZCHIXEPFSCBX-OAHLLOKOSA-N 0 3 246.398 3.947 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC2CC3(CCC3)C2)o1 ZINC000562507897 323022350 /nfs/dbraw/zinc/02/23/50/323022350.db2.gz VGXPITVEDKRUNH-BXUZGUMPSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNC2CC3(CCC3)C2)o1 ZINC000562507898 323022313 /nfs/dbraw/zinc/02/23/13/323022313.db2.gz VGXPITVEDKRUNH-FZMZJTMJSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC2CC3(CCC3)C2)o1 ZINC000562507899 323022354 /nfs/dbraw/zinc/02/23/54/323022354.db2.gz VGXPITVEDKRUNH-RISCZKNCSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNC2CC3(CCC3)C2)o1 ZINC000562507900 323022347 /nfs/dbraw/zinc/02/23/47/323022347.db2.gz VGXPITVEDKRUNH-SMDDNHRTSA-N 0 3 245.366 3.825 20 0 BHADHN CCC[C@@H](NCc1ncc(CC)o1)C(C)(C)C ZINC000562544589 323024126 /nfs/dbraw/zinc/02/41/26/323024126.db2.gz QFFQVMLVJOLMQX-GFCCVEGCSA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@H](NCc1ncc(CC)o1)C(C)(C)C ZINC000562544590 323024154 /nfs/dbraw/zinc/02/41/54/323024154.db2.gz QFFQVMLVJOLMQX-LBPRGKRZSA-N 0 3 238.375 3.541 20 0 BHADHN c1c2ccccc2oc1CNC1CC2(CCC2)C1 ZINC000562679908 323027166 /nfs/dbraw/zinc/02/71/66/323027166.db2.gz HCIRSWGTXBDABY-UHFFFAOYSA-N 0 3 241.334 3.855 20 0 BHADHN c1ccc([C@@H]2CCCN2CC2=CCCCC2)nc1 ZINC000562697538 323028124 /nfs/dbraw/zinc/02/81/24/323028124.db2.gz CXSLVDPLOZUDGM-INIZCTEOSA-N 0 3 242.366 3.719 20 0 BHADHN c1ccc([C@H]2CCCN2CC2=CCCCC2)nc1 ZINC000562697539 323028157 /nfs/dbraw/zinc/02/81/57/323028157.db2.gz CXSLVDPLOZUDGM-MRXNPFEDSA-N 0 3 242.366 3.719 20 0 BHADHN Cc1ccc2ncc(CN3[C@H](C)C[C@@H]3C)cc2c1 ZINC000562702656 323028737 /nfs/dbraw/zinc/02/87/37/323028737.db2.gz MNTNXDRMKRQLLD-BETUJISGSA-N 0 3 240.350 3.526 20 0 BHADHN Cc1ccc2ncc(CN3[C@H](C)C[C@H]3C)cc2c1 ZINC000562702658 323028696 /nfs/dbraw/zinc/02/86/96/323028696.db2.gz MNTNXDRMKRQLLD-CHWSQXEVSA-N 0 3 240.350 3.526 20 0 BHADHN Cc1ccc2ncc(CN3[C@@H](C)C[C@@H]3C)cc2c1 ZINC000562702659 323028725 /nfs/dbraw/zinc/02/87/25/323028725.db2.gz MNTNXDRMKRQLLD-STQMWFEESA-N 0 3 240.350 3.526 20 0 BHADHN CCC[C@@H](NCc1cc(CC)no1)C(C)(C)C ZINC000562778784 323030399 /nfs/dbraw/zinc/03/03/99/323030399.db2.gz HHRCBNFYIYLIPY-CYBMUJFWSA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@H](NCc1cc(CC)no1)C(C)(C)C ZINC000562778785 323030556 /nfs/dbraw/zinc/03/05/56/323030556.db2.gz HHRCBNFYIYLIPY-ZDUSSCGKSA-N 0 3 238.375 3.541 20 0 BHADHN CC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1 ZINC000562880884 323032758 /nfs/dbraw/zinc/03/27/58/323032758.db2.gz SPCXULAGGZAWFJ-TUAOUCFPSA-N 0 3 243.272 3.520 20 0 BHADHN Cc1cc(CN2CC(C3CCC3)C2)c(C)s1 ZINC000562902929 323033119 /nfs/dbraw/zinc/03/31/19/323033119.db2.gz YOFNRLFJNCMHIA-UHFFFAOYSA-N 0 3 235.396 3.597 20 0 BHADHN CCCCCN(CCCCC)Cc1cnccn1 ZINC000563090604 323091648 /nfs/dbraw/zinc/09/16/48/323091648.db2.gz XWGYGNGKFLPALH-UHFFFAOYSA-N 0 3 249.402 3.659 20 0 BHADHN F[C@@H]1CCC[C@H](NCc2sccc2Cl)C1 ZINC000563121897 323093518 /nfs/dbraw/zinc/09/35/18/323093518.db2.gz IFCZATRLRZMLDX-BDAKNGLRSA-N 0 3 247.766 3.772 20 0 BHADHN F[C@H]1CCC[C@@H](NCc2sccc2Cl)C1 ZINC000563121899 323093530 /nfs/dbraw/zinc/09/35/30/323093530.db2.gz IFCZATRLRZMLDX-DTWKUNHWSA-N 0 3 247.766 3.772 20 0 BHADHN F[C@H]1CCC[C@H](NCc2sccc2Cl)C1 ZINC000563121900 323093550 /nfs/dbraw/zinc/09/35/50/323093550.db2.gz IFCZATRLRZMLDX-IUCAKERBSA-N 0 3 247.766 3.772 20 0 BHADHN F[C@@H]1CCC[C@@H](NCc2sccc2Cl)C1 ZINC000563121902 323093575 /nfs/dbraw/zinc/09/35/75/323093575.db2.gz IFCZATRLRZMLDX-RKDXNWHRSA-N 0 3 247.766 3.772 20 0 BHADHN FCC1(NCc2csc3ccccc23)CCC1 ZINC000563122260 323093654 /nfs/dbraw/zinc/09/36/54/323093654.db2.gz LWFNJHNMXLZPJI-UHFFFAOYSA-N 0 3 249.354 3.883 20 0 BHADHN FCC1(NC2CC3(C2)CCCCC3)CCC1 ZINC000563157343 323096454 /nfs/dbraw/zinc/09/64/54/323096454.db2.gz GVRAKXQFYLCAME-UHFFFAOYSA-N 0 3 225.351 3.581 20 0 BHADHN Cc1cc(C)cc([C@H](C)NCCOC2CCC2)c1 ZINC000563230261 323105449 /nfs/dbraw/zinc/10/54/49/323105449.db2.gz VVMLNIPKBFGDDT-AWEZNQCLSA-N 0 3 247.382 3.523 20 0 BHADHN Cc1cc(C)cc([C@@H](C)NCCOC2CCC2)c1 ZINC000563230271 323105428 /nfs/dbraw/zinc/10/54/28/323105428.db2.gz VVMLNIPKBFGDDT-CQSZACIVSA-N 0 3 247.382 3.523 20 0 BHADHN CCc1cccc(CNCc2cscc2C)c1 ZINC000563257795 323107044 /nfs/dbraw/zinc/10/70/44/323107044.db2.gz NSRLAFHBWVOKMH-UHFFFAOYSA-N 0 3 245.391 3.909 20 0 BHADHN Cc1nsc(C)c1CN(C)[C@H](C)C(C)(C)C ZINC000563354105 323120367 /nfs/dbraw/zinc/12/03/67/323120367.db2.gz HEZXGKXQTGOCLY-LLVKDONJSA-N 0 3 240.416 3.626 20 0 BHADHN Cc1nsc(C)c1CN(C)[C@@H](C)C(C)(C)C ZINC000563354117 323120299 /nfs/dbraw/zinc/12/02/99/323120299.db2.gz HEZXGKXQTGOCLY-NSHDSACASA-N 0 3 240.416 3.626 20 0 BHADHN CCN(Cc1c(C)nsc1C)CC(C)(C)C ZINC000563365576 323121350 /nfs/dbraw/zinc/12/13/50/323121350.db2.gz UWVYCJMGTGSPLX-UHFFFAOYSA-N 0 3 240.416 3.628 20 0 BHADHN Cc1cc(OCCCCCF)c(C)c(C)n1 ZINC000563415294 323123451 /nfs/dbraw/zinc/12/34/51/323123451.db2.gz CPEGAXKYZDIQNY-UHFFFAOYSA-N 0 3 225.307 3.525 20 0 BHADHN CC(C)CC[C@@H](C)NCc1noc2ccccc12 ZINC000563416041 323123555 /nfs/dbraw/zinc/12/35/55/323123555.db2.gz FXIVUBPQEOJGMC-GFCCVEGCSA-N 0 3 246.354 3.742 20 0 BHADHN CC(C)CC[C@H](C)NCc1noc2ccccc12 ZINC000563416469 323123465 /nfs/dbraw/zinc/12/34/65/323123465.db2.gz FXIVUBPQEOJGMC-LBPRGKRZSA-N 0 3 246.354 3.742 20 0 BHADHN CCCN(Cc1cnc(C(C)C)s1)C(C)C ZINC000563429502 323125040 /nfs/dbraw/zinc/12/50/40/323125040.db2.gz ZXVDAVYQBIYTPY-UHFFFAOYSA-N 0 3 240.416 3.887 20 0 BHADHN Cc1ccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000563442480 323126811 /nfs/dbraw/zinc/12/68/11/323126811.db2.gz JZUMSMPSIPRZHE-DABQJJPHSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1ccc(CN[C@H]2[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000563442481 323126868 /nfs/dbraw/zinc/12/68/68/323126868.db2.gz JZUMSMPSIPRZHE-IMRBUKKESA-N 0 3 235.758 3.537 20 0 BHADHN CC(C)C1(N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000563501873 323128373 /nfs/dbraw/zinc/12/83/73/323128373.db2.gz OQTMUCCZFJWHNB-JTQLQIEISA-N 0 3 239.309 3.804 20 0 BHADHN CC(C)C1(N[C@H](C)c2ccc(F)cc2F)CC1 ZINC000563501874 323128509 /nfs/dbraw/zinc/12/85/09/323128509.db2.gz OQTMUCCZFJWHNB-SNVBAGLBSA-N 0 3 239.309 3.804 20 0 BHADHN Cc1nc(C(C)C)ccc1CN(C)CC(C)(C)C ZINC000563542544 323129545 /nfs/dbraw/zinc/12/95/45/323129545.db2.gz XPVUVMZSPWVGEA-UHFFFAOYSA-N 0 3 248.414 3.991 20 0 BHADHN Cc1ccc(C2CC(N[C@H]3CCC[C@H]3F)C2)cc1 ZINC000563673187 323134444 /nfs/dbraw/zinc/13/44/44/323134444.db2.gz KVNUXJIBCFFBEN-FJBKBRRZSA-N 0 3 247.357 3.721 20 0 BHADHN CCc1cnc(CN[C@@H](C)C(C)(C)CC)s1 ZINC000563682190 323167824 /nfs/dbraw/zinc/16/78/24/323167824.db2.gz ZTORXNPWOFKMRH-JTQLQIEISA-N 0 3 240.416 3.620 20 0 BHADHN CCc1cnc(CN[C@H](C)C(C)(C)CC)s1 ZINC000563682192 323167837 /nfs/dbraw/zinc/16/78/37/323167837.db2.gz ZTORXNPWOFKMRH-SNVBAGLBSA-N 0 3 240.416 3.620 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2C[C@@H]2C(F)F)c(C)c1 ZINC000563739734 323176580 /nfs/dbraw/zinc/17/65/80/323176580.db2.gz QCABJWWXCOJJTC-DRZSPHRISA-N 0 3 239.309 3.608 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)c(C)c1 ZINC000563739755 323176531 /nfs/dbraw/zinc/17/65/31/323176531.db2.gz QCABJWWXCOJJTC-WXHSDQCUSA-N 0 3 239.309 3.608 20 0 BHADHN CC(C)=CCC[C@@H](C)CCNCc1ccno1 ZINC000563811182 323178545 /nfs/dbraw/zinc/17/85/45/323178545.db2.gz UHKXWVRSIKFSKD-CYBMUJFWSA-N 0 3 236.359 3.537 20 0 BHADHN CC(C)=CCC[C@H](C)CCNCc1ccno1 ZINC000563811183 323178605 /nfs/dbraw/zinc/17/86/05/323178605.db2.gz UHKXWVRSIKFSKD-ZDUSSCGKSA-N 0 3 236.359 3.537 20 0 BHADHN CCCc1cccc(CN2CCC[C@H]2CF)c1 ZINC000563828489 323179884 /nfs/dbraw/zinc/17/98/84/323179884.db2.gz WQVJOOVHBRUKDN-HNNXBMFYSA-N 0 3 235.346 3.573 20 0 BHADHN CCCc1cccc(CN2CCC[C@@H]2CF)c1 ZINC000563828490 323179871 /nfs/dbraw/zinc/17/98/71/323179871.db2.gz WQVJOOVHBRUKDN-OAHLLOKOSA-N 0 3 235.346 3.573 20 0 BHADHN CCN(Cc1ccccc1OCC(C)C)C1CC1 ZINC000564106440 387833019 /nfs/dbraw/zinc/83/30/19/387833019.db2.gz YSPRVVFUENMNJR-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN CC[C@H](CSC)N(C)Cc1ccc(Cl)o1 ZINC000564324280 325371591 /nfs/dbraw/zinc/37/15/91/325371591.db2.gz BBAGXECZUZHDET-SECBINFHSA-N 0 3 247.791 3.506 20 0 BHADHN CC[C@@H](CSC)N(C)Cc1ccc(Cl)o1 ZINC000564324289 325371699 /nfs/dbraw/zinc/37/16/99/325371699.db2.gz BBAGXECZUZHDET-VIFPVBQESA-N 0 3 247.791 3.506 20 0 BHADHN CCCN(Cc1scnc1C1CC1)C(C)C ZINC000564470869 384224907 /nfs/dbraw/zinc/22/49/07/384224907.db2.gz QGAKWIWDJWUQCT-UHFFFAOYSA-N 0 3 238.400 3.641 20 0 BHADHN Fc1ccc(CCN2CCCCC2)c(Cl)c1 ZINC000564528812 323012283 /nfs/dbraw/zinc/01/22/83/323012283.db2.gz KPWJFLHWMPVNTG-UHFFFAOYSA-N 0 3 241.737 3.508 20 0 BHADHN C[C@H]1CCCN1CCc1ccc(F)cc1Cl ZINC000564533665 388876800 /nfs/dbraw/zinc/87/68/00/388876800.db2.gz UBNNFIORDFJPJM-JTQLQIEISA-N 0 3 241.737 3.506 20 0 BHADHN C[C@@H]1CCCN1CCc1ccc(F)cc1Cl ZINC000564533666 388877684 /nfs/dbraw/zinc/87/76/84/388877684.db2.gz UBNNFIORDFJPJM-SNVBAGLBSA-N 0 3 241.737 3.506 20 0 BHADHN C=Cc1ccc(CCN[C@H](C)c2ccoc2)cc1 ZINC000564653808 325801252 /nfs/dbraw/zinc/80/12/52/325801252.db2.gz LCKGQAMGFZDWKB-CYBMUJFWSA-N 0 3 241.334 3.816 20 0 BHADHN C=Cc1ccc(CCN[C@@H](C)c2ccoc2)cc1 ZINC000564653809 388883436 /nfs/dbraw/zinc/88/34/36/388883436.db2.gz LCKGQAMGFZDWKB-ZDUSSCGKSA-N 0 3 241.334 3.816 20 0 BHADHN CC(C)N(Cc1cccc(F)c1)CC1(F)CC1 ZINC000564762852 388888319 /nfs/dbraw/zinc/88/83/19/388888319.db2.gz DGTGEGVTAMMUGH-UHFFFAOYSA-N 0 3 239.309 3.538 20 0 BHADHN FCC1(NCc2cccc(C3CC3)c2)CCC1 ZINC000564961079 325835912 /nfs/dbraw/zinc/83/59/12/325835912.db2.gz LVRZFNMHKPAKGY-UHFFFAOYSA-N 0 3 233.330 3.546 20 0 BHADHN CN(Cc1cc(Cl)cs1)C(C)(C)C ZINC000564991093 388906424 /nfs/dbraw/zinc/90/64/24/388906424.db2.gz YTPUPAJQOOMBHU-UHFFFAOYSA-N 0 3 217.765 3.632 20 0 BHADHN CSc1ccc(CN2C[C@H](C)C[C@H]2C)s1 ZINC000565631690 388958235 /nfs/dbraw/zinc/95/82/35/388958235.db2.gz OYZLMKHFKOWWEZ-NXEZZACHSA-N 0 3 241.425 3.700 20 0 BHADHN CSc1ccc(CN2C[C@@H](C)C[C@@H]2C)s1 ZINC000565631694 388958870 /nfs/dbraw/zinc/95/88/70/388958870.db2.gz OYZLMKHFKOWWEZ-UWVGGRQHSA-N 0 3 241.425 3.700 20 0 BHADHN CSc1ccc(CN2C[C@@H](C)C[C@H]2C)s1 ZINC000565631695 388958791 /nfs/dbraw/zinc/95/87/91/388958791.db2.gz OYZLMKHFKOWWEZ-VHSXEESVSA-N 0 3 241.425 3.700 20 0 BHADHN CSc1ccc(CN2C[C@H](C)C[C@@H]2C)s1 ZINC000565631696 388958801 /nfs/dbraw/zinc/95/88/01/388958801.db2.gz OYZLMKHFKOWWEZ-ZJUUUORDSA-N 0 3 241.425 3.700 20 0 BHADHN CN(Cc1ccc(Cl)s1)CC1(C)CC1 ZINC000565751645 388966961 /nfs/dbraw/zinc/96/69/61/388966961.db2.gz ZHWFOVQNMKOSCR-UHFFFAOYSA-N 0 3 229.776 3.633 20 0 BHADHN CCc1nc(C(C)C)ccc1CN(C)[C@H](C)CC ZINC000565787273 388969837 /nfs/dbraw/zinc/96/98/37/388969837.db2.gz CJUANKXPZMTYFE-CYBMUJFWSA-N 0 3 248.414 3.998 20 0 BHADHN CCc1nc(C(C)C)ccc1CN(C)[C@@H](C)CC ZINC000565787277 388969989 /nfs/dbraw/zinc/96/99/89/388969989.db2.gz CJUANKXPZMTYFE-ZDUSSCGKSA-N 0 3 248.414 3.998 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1ccc2c(n1)CCC2 ZINC000565818781 388971562 /nfs/dbraw/zinc/97/15/62/388971562.db2.gz HJGOHFLETZEAOM-CYBMUJFWSA-N 0 3 246.398 3.581 20 0 BHADHN CCCC[C@H](C)N(C)Cc1ccc2c(n1)CCC2 ZINC000565818790 388971463 /nfs/dbraw/zinc/97/14/63/388971463.db2.gz HJGOHFLETZEAOM-ZDUSSCGKSA-N 0 3 246.398 3.581 20 0 BHADHN Cc1cccc([C@H](C)N[C@@H]2CCC[C@@H]2F)c1C ZINC000565846400 325965196 /nfs/dbraw/zinc/96/51/96/325965196.db2.gz UQGCNOQFNMWDAC-AEGPPILISA-N 0 3 235.346 3.845 20 0 BHADHN Cc1cccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)c1C ZINC000565846407 388974371 /nfs/dbraw/zinc/97/43/71/388974371.db2.gz UQGCNOQFNMWDAC-VHDGCEQUSA-N 0 3 235.346 3.845 20 0 BHADHN CC[C@H](F)CN(C)[C@@H]1CCCc2ccccc21 ZINC000565930734 388979293 /nfs/dbraw/zinc/97/92/93/388979293.db2.gz AIEOBQBVBJFINH-DZGCQCFKSA-N 0 3 235.346 3.744 20 0 BHADHN CC[C@@H](F)CN(C)[C@H]1CCCc2ccccc21 ZINC000565930737 388979581 /nfs/dbraw/zinc/97/95/81/388979581.db2.gz AIEOBQBVBJFINH-HIFRSBDPSA-N 0 3 235.346 3.744 20 0 BHADHN CC[C@@H](F)CN(C)[C@@H]1CCCc2ccccc21 ZINC000565930738 388978766 /nfs/dbraw/zinc/97/87/66/388978766.db2.gz AIEOBQBVBJFINH-UKRRQHHQSA-N 0 3 235.346 3.744 20 0 BHADHN CC[C@H](F)CN(C)[C@H]1CCCc2ccccc21 ZINC000565930739 388979436 /nfs/dbraw/zinc/97/94/36/388979436.db2.gz AIEOBQBVBJFINH-ZFWWWQNUSA-N 0 3 235.346 3.744 20 0 BHADHN Cc1nsc(C)c1CN(C)C1(C)CCCC1 ZINC000565960012 388982237 /nfs/dbraw/zinc/98/22/37/388982237.db2.gz WPJUEEAPUVUIGE-UHFFFAOYSA-N 0 3 238.400 3.524 20 0 BHADHN Cc1cc([C@H](C)NC2CC(C)(C)C2)oc1C ZINC000565963153 388981684 /nfs/dbraw/zinc/98/16/84/388981684.db2.gz QVBHNXFMNLRYJD-JTQLQIEISA-N 0 3 221.344 3.736 20 0 BHADHN Cc1cc([C@@H](C)NC2CC(C)(C)C2)oc1C ZINC000565963154 388981698 /nfs/dbraw/zinc/98/16/98/388981698.db2.gz QVBHNXFMNLRYJD-SNVBAGLBSA-N 0 3 221.344 3.736 20 0 BHADHN CSc1ccc(CN2C3CCC2CC3)s1 ZINC000565984680 325980276 /nfs/dbraw/zinc/98/02/76/325980276.db2.gz ZFSVZWZIJZKGSJ-UHFFFAOYSA-N 0 3 239.409 3.597 20 0 BHADHN FCC1(NCc2ccc3ccccc3c2)CCC1 ZINC000566217309 326016625 /nfs/dbraw/zinc/01/66/25/326016625.db2.gz OCAGHYXUAFUFIM-UHFFFAOYSA-N 0 3 243.325 3.822 20 0 BHADHN C[C@H](CCC1CCCCC1)NCc1ccno1 ZINC000566243437 326021856 /nfs/dbraw/zinc/02/18/56/326021856.db2.gz UXQNZDGDRQSWBQ-GFCCVEGCSA-N 0 3 236.359 3.513 20 0 BHADHN C[C@@H](CCC1CCCCC1)NCc1ccno1 ZINC000566243439 326021543 /nfs/dbraw/zinc/02/15/43/326021543.db2.gz UXQNZDGDRQSWBQ-LBPRGKRZSA-N 0 3 236.359 3.513 20 0 BHADHN Cc1ccccc1C1CC(NC2(CF)CCC2)C1 ZINC000566248251 326023461 /nfs/dbraw/zinc/02/34/61/326023461.db2.gz XBSOJWHDCNUUJH-UHFFFAOYSA-N 0 3 247.357 3.723 20 0 BHADHN Cc1cccc([C@H](C)N[C@@H]2CSC2(C)C)c1C ZINC000566369026 326038174 /nfs/dbraw/zinc/03/81/74/326038174.db2.gz YTFMCDARACKGAA-GXTWGEPZSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1cccc([C@H](C)N[C@H]2CSC2(C)C)c1C ZINC000566369027 326038020 /nfs/dbraw/zinc/03/80/20/326038020.db2.gz YTFMCDARACKGAA-JSGCOSHPSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1cccc([C@@H](C)N[C@H]2CSC2(C)C)c1C ZINC000566369028 326038247 /nfs/dbraw/zinc/03/82/47/326038247.db2.gz YTFMCDARACKGAA-OCCSQVGLSA-N 0 3 249.423 3.848 20 0 BHADHN Cc1cccc([C@@H](C)N[C@@H]2CSC2(C)C)c1C ZINC000566369029 326038078 /nfs/dbraw/zinc/03/80/78/326038078.db2.gz YTFMCDARACKGAA-TZMCWYRMSA-N 0 3 249.423 3.848 20 0 BHADHN C[C@H](CN[C@@H](C)c1ccon1)C1CCCCC1 ZINC000566394517 326039087 /nfs/dbraw/zinc/03/90/87/326039087.db2.gz NWOZZJNJDHFJNS-NEPJUHHUSA-N 0 3 236.359 3.542 20 0 BHADHN C[C@@H](CN[C@H](C)c1ccon1)C1CCCCC1 ZINC000566394520 326039282 /nfs/dbraw/zinc/03/92/82/326039282.db2.gz NWOZZJNJDHFJNS-NWDGAFQWSA-N 0 3 236.359 3.542 20 0 BHADHN C[C@@H](CN[C@@H](C)c1ccon1)C1CCCCC1 ZINC000566394521 326039063 /nfs/dbraw/zinc/03/90/63/326039063.db2.gz NWOZZJNJDHFJNS-RYUDHWBXSA-N 0 3 236.359 3.542 20 0 BHADHN C[C@@H](NC[C@@H](C)C1CCCCC1)c1ccon1 ZINC000566394522 326039277 /nfs/dbraw/zinc/03/92/77/326039277.db2.gz NWOZZJNJDHFJNS-VXGBXAGGSA-N 0 3 236.359 3.542 20 0 BHADHN CCN(Cc1c(C)nsc1C)[C@H](C)C(C)C ZINC000566418252 326043405 /nfs/dbraw/zinc/04/34/05/326043405.db2.gz DPXCUWYPLAQMCK-LLVKDONJSA-N 0 3 240.416 3.626 20 0 BHADHN CCN(Cc1c(C)nsc1C)[C@@H](C)C(C)C ZINC000566418253 326043344 /nfs/dbraw/zinc/04/33/44/326043344.db2.gz DPXCUWYPLAQMCK-NSHDSACASA-N 0 3 240.416 3.626 20 0 BHADHN Cc1nsc(C)c1CN(CC(C)C)C(C)C ZINC000566418269 326043448 /nfs/dbraw/zinc/04/34/48/326043448.db2.gz FFTSIFCRVJNOOM-UHFFFAOYSA-N 0 3 240.416 3.626 20 0 BHADHN CC(C)c1ncc(CNC2CC(C)(C)C2)s1 ZINC000566499723 326059112 /nfs/dbraw/zinc/05/91/12/326059112.db2.gz CPLMJHQANQGDOJ-UHFFFAOYSA-N 0 3 238.400 3.545 20 0 BHADHN CC1(C)CN(CCC2CC2)[C@@H]1c1cccs1 ZINC000566519337 326061543 /nfs/dbraw/zinc/06/15/43/326061543.db2.gz CZKJQJOSHMLPOC-CYBMUJFWSA-N 0 3 235.396 3.931 20 0 BHADHN CC1(C)CN(CCC2CC2)[C@H]1c1cccs1 ZINC000566519342 326061446 /nfs/dbraw/zinc/06/14/46/326061446.db2.gz CZKJQJOSHMLPOC-ZDUSSCGKSA-N 0 3 235.396 3.931 20 0 BHADHN CC1(CNCc2ccc(C3CC3)cc2F)CC1 ZINC000566597118 323006312 /nfs/dbraw/zinc/00/63/12/323006312.db2.gz WAZCOWWNGONNBL-UHFFFAOYSA-N 0 3 233.330 3.593 20 0 BHADHN C[C@H](CCNC1(CF)CCC1)c1ccccc1 ZINC000566620946 326068971 /nfs/dbraw/zinc/06/89/71/326068971.db2.gz KBZCEUDAFBKOMA-CYBMUJFWSA-N 0 3 235.346 3.662 20 0 BHADHN C[C@@H](CCNC1(CF)CCC1)c1ccccc1 ZINC000566620947 326068913 /nfs/dbraw/zinc/06/89/13/326068913.db2.gz KBZCEUDAFBKOMA-ZDUSSCGKSA-N 0 3 235.346 3.662 20 0 BHADHN CN(Cc1ccc(Cl)s1)C(C)(C)C ZINC000566736338 326078393 /nfs/dbraw/zinc/07/83/93/326078393.db2.gz VANWIVMVHJHQMM-UHFFFAOYSA-N 0 3 217.765 3.632 20 0 BHADHN Cc1nc(C(C)C)ccc1CN1C2CCC1CC2 ZINC000566751485 326080503 /nfs/dbraw/zinc/08/05/03/326080503.db2.gz VLNQHULKROUWDV-UHFFFAOYSA-N 0 3 244.382 3.640 20 0 BHADHN CN(Cc1cc[nH]c1)[C@H]1CCCc2ccccc21 ZINC000566752798 345301668 /nfs/dbraw/zinc/30/16/68/345301668.db2.gz AGGYDCHUNZJTKA-INIZCTEOSA-N 0 3 240.350 3.524 20 0 BHADHN CN(Cc1cc[nH]c1)[C@@H]1CCCc2ccccc21 ZINC000566752799 345301731 /nfs/dbraw/zinc/30/17/31/345301731.db2.gz AGGYDCHUNZJTKA-MRXNPFEDSA-N 0 3 240.350 3.524 20 0 BHADHN Cc1cc(Cl)ccc1CN1CCCCC1 ZINC000566789427 326082614 /nfs/dbraw/zinc/08/26/14/326082614.db2.gz AREUEJDVOWQYCA-UHFFFAOYSA-N 0 3 223.747 3.634 20 0 BHADHN C[C@H](NCCCC1CC1)c1ccncc1Cl ZINC000566790863 326082255 /nfs/dbraw/zinc/08/22/55/326082255.db2.gz QMIADOYUGAXHDE-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCCCC1CC1)c1ccncc1Cl ZINC000566790870 326081933 /nfs/dbraw/zinc/08/19/33/326081933.db2.gz QMIADOYUGAXHDE-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN CC(C)Cc1ncc(CN(C)C(C)(C)C)s1 ZINC000566797172 326083651 /nfs/dbraw/zinc/08/36/51/326083651.db2.gz YIOVQNKMOFZMFD-UHFFFAOYSA-N 0 3 240.416 3.572 20 0 BHADHN Cc1cc([C@@H](C)NCC(C(C)C)C(C)C)no1 ZINC000566870485 326090870 /nfs/dbraw/zinc/09/08/70/326090870.db2.gz UOBAAVIEPGEHAI-GFCCVEGCSA-N 0 3 238.375 3.562 20 0 BHADHN Cc1cc([C@H](C)NCC(C(C)C)C(C)C)no1 ZINC000566870486 326090950 /nfs/dbraw/zinc/09/09/50/326090950.db2.gz UOBAAVIEPGEHAI-LBPRGKRZSA-N 0 3 238.375 3.562 20 0 BHADHN Fc1cccc([C@@H]2CCN([C@@H]3C=CCCC3)C2)c1 ZINC000566991447 326100488 /nfs/dbraw/zinc/10/04/88/326100488.db2.gz GCVQDBVFRVMNAF-GDBMZVCRSA-N 0 3 245.341 3.724 20 0 BHADHN Fc1cccc([C@H]2CCN([C@@H]3C=CCCC3)C2)c1 ZINC000566991448 326100625 /nfs/dbraw/zinc/10/06/25/326100625.db2.gz GCVQDBVFRVMNAF-GOEBONIOSA-N 0 3 245.341 3.724 20 0 BHADHN Fc1cccc([C@H]2CCN([C@H]3C=CCCC3)C2)c1 ZINC000566991449 326100633 /nfs/dbraw/zinc/10/06/33/326100633.db2.gz GCVQDBVFRVMNAF-HOCLYGCPSA-N 0 3 245.341 3.724 20 0 BHADHN Fc1cccc([C@@H]2CCN([C@H]3C=CCCC3)C2)c1 ZINC000566991450 326100529 /nfs/dbraw/zinc/10/05/29/326100529.db2.gz GCVQDBVFRVMNAF-ZBFHGGJFSA-N 0 3 245.341 3.724 20 0 BHADHN CCc1ccc([C@H](C)NC2CC(C)(C)C2)o1 ZINC000567180543 326130949 /nfs/dbraw/zinc/13/09/49/326130949.db2.gz MJCKSTMNCOAZOA-JTQLQIEISA-N 0 3 221.344 3.681 20 0 BHADHN CCc1ccc([C@@H](C)NC2CC(C)(C)C2)o1 ZINC000567180544 326131250 /nfs/dbraw/zinc/13/12/50/326131250.db2.gz MJCKSTMNCOAZOA-SNVBAGLBSA-N 0 3 221.344 3.681 20 0 BHADHN CCc1nc(CN[C@@H](C)C(C)(C)CC)cs1 ZINC000567191759 326132867 /nfs/dbraw/zinc/13/28/67/326132867.db2.gz KVGHSDFWTLQZPH-JTQLQIEISA-N 0 3 240.416 3.620 20 0 BHADHN CCc1nc(CN[C@H](C)C(C)(C)CC)cs1 ZINC000567191760 326132931 /nfs/dbraw/zinc/13/29/31/326132931.db2.gz KVGHSDFWTLQZPH-SNVBAGLBSA-N 0 3 240.416 3.620 20 0 BHADHN Cc1cc(OCc2ccccc2)c(C)c(C)n1 ZINC000567409460 326185677 /nfs/dbraw/zinc/18/56/77/326185677.db2.gz CPBSKUDDAFYRRN-UHFFFAOYSA-N 0 3 227.307 3.586 20 0 BHADHN Fc1ccc(/C=C/CN2C3CCC2CC3)cc1F ZINC000567428685 326188560 /nfs/dbraw/zinc/18/85/60/326188560.db2.gz NJVIRRVSZMPIOR-OWOJBTEDSA-N 0 3 249.304 3.605 20 0 BHADHN Fc1ccc(/C=C\CN2C3CCC2CC3)cc1F ZINC000567428686 326188626 /nfs/dbraw/zinc/18/86/26/326188626.db2.gz NJVIRRVSZMPIOR-UPHRSURJSA-N 0 3 249.304 3.605 20 0 BHADHN Cc1ccc(CN2C3CCC2CC3)c(Cl)c1 ZINC000567451045 326194622 /nfs/dbraw/zinc/19/46/22/326194622.db2.gz ITNDSFPLPITTAX-UHFFFAOYSA-N 0 3 235.758 3.775 20 0 BHADHN CCC1CC(N[C@H](C)c2ccc(F)cc2F)C1 ZINC000567493606 326204219 /nfs/dbraw/zinc/20/42/19/326204219.db2.gz FZFMRITWMOXUDC-GRZMOONWSA-N 0 3 239.309 3.804 20 0 BHADHN CC(C)=CCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000567513850 326208168 /nfs/dbraw/zinc/20/81/68/326208168.db2.gz MWLATYCZKVFVJG-DZGCQCFKSA-N 0 3 215.340 3.646 20 0 BHADHN CC(C)=CCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000567513851 326208127 /nfs/dbraw/zinc/20/81/27/326208127.db2.gz MWLATYCZKVFVJG-HIFRSBDPSA-N 0 3 215.340 3.646 20 0 BHADHN CC(C)=CCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000567513852 326208462 /nfs/dbraw/zinc/20/84/62/326208462.db2.gz MWLATYCZKVFVJG-UKRRQHHQSA-N 0 3 215.340 3.646 20 0 BHADHN CC(C)=CCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000567513853 326208160 /nfs/dbraw/zinc/20/81/60/326208160.db2.gz MWLATYCZKVFVJG-ZFWWWQNUSA-N 0 3 215.340 3.646 20 0 BHADHN F[C@@H]1CCC[C@H](NCc2ccccc2Cl)C1 ZINC000567853448 326271110 /nfs/dbraw/zinc/27/11/10/326271110.db2.gz BGLZUJBIOXHFHQ-NEPJUHHUSA-N 0 3 241.737 3.710 20 0 BHADHN F[C@H]1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC000567853449 326271067 /nfs/dbraw/zinc/27/10/67/326271067.db2.gz BGLZUJBIOXHFHQ-NWDGAFQWSA-N 0 3 241.737 3.710 20 0 BHADHN F[C@H]1CCC[C@H](NCc2ccccc2Cl)C1 ZINC000567853450 326271219 /nfs/dbraw/zinc/27/12/19/326271219.db2.gz BGLZUJBIOXHFHQ-RYUDHWBXSA-N 0 3 241.737 3.710 20 0 BHADHN F[C@@H]1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC000567853451 326271318 /nfs/dbraw/zinc/27/13/18/326271318.db2.gz BGLZUJBIOXHFHQ-VXGBXAGGSA-N 0 3 241.737 3.710 20 0 BHADHN Cc1sccc1CNCc1ccc(C)cc1C ZINC000567868052 326273524 /nfs/dbraw/zinc/27/35/24/326273524.db2.gz JUFAXJVRJUIVQR-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN C[C@@H](N[C@H]1CC12CC2)c1ccc(Cl)c(F)c1 ZINC000567890702 326277078 /nfs/dbraw/zinc/27/70/78/326277078.db2.gz XXGXGOJLZZMNCF-PELKAZGASA-N 0 3 239.721 3.682 20 0 BHADHN C[C@@H](N[C@@H]1CC12CC2)c1ccc(Cl)c(F)c1 ZINC000567890703 326277161 /nfs/dbraw/zinc/27/71/61/326277161.db2.gz XXGXGOJLZZMNCF-PRHODGIISA-N 0 3 239.721 3.682 20 0 BHADHN C[C@H](N[C@@H]1CC12CC2)c1ccc(Cl)c(F)c1 ZINC000567890704 326277223 /nfs/dbraw/zinc/27/72/23/326277223.db2.gz XXGXGOJLZZMNCF-QPUJVOFHSA-N 0 3 239.721 3.682 20 0 BHADHN C[C@H](N[C@H]1CC12CC2)c1ccc(Cl)c(F)c1 ZINC000567890705 326277114 /nfs/dbraw/zinc/27/71/14/326277114.db2.gz XXGXGOJLZZMNCF-UFBFGSQYSA-N 0 3 239.721 3.682 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H](F)C2)oc1C ZINC000567898451 326279479 /nfs/dbraw/zinc/27/94/79/326279479.db2.gz QKGFYVDQMHMIQA-CYZMBNFOSA-N 0 3 239.334 3.828 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCC[C@H](F)C2)oc1C ZINC000567898452 326279431 /nfs/dbraw/zinc/27/94/31/326279431.db2.gz QKGFYVDQMHMIQA-DRZSPHRISA-N 0 3 239.334 3.828 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCC[C@@H](F)C2)oc1C ZINC000567898453 326279372 /nfs/dbraw/zinc/27/93/72/326279372.db2.gz QKGFYVDQMHMIQA-UHTWSYAYSA-N 0 3 239.334 3.828 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@H](F)C2)oc1C ZINC000567898454 326279502 /nfs/dbraw/zinc/27/95/02/326279502.db2.gz QKGFYVDQMHMIQA-WCFLWFBJSA-N 0 3 239.334 3.828 20 0 BHADHN CN(Cc1cnc(C2CCC2)s1)C(C)(C)C ZINC000567906305 326280893 /nfs/dbraw/zinc/28/08/93/326280893.db2.gz XRACAWKEWNQSLY-UHFFFAOYSA-N 0 3 238.400 3.641 20 0 BHADHN c1ccc2c(c1)SC[C@@H]2N[C@@H]1CC[C@@H]1C1CC1 ZINC000568022759 326297057 /nfs/dbraw/zinc/29/70/57/326297057.db2.gz CMVZHCFXFHGZJK-BNOWGMLFSA-N 0 3 245.391 3.612 20 0 BHADHN c1ccc2c(c1)SC[C@@H]2N[C@H]1CC[C@H]1C1CC1 ZINC000568022760 326297094 /nfs/dbraw/zinc/29/70/94/326297094.db2.gz CMVZHCFXFHGZJK-UBHSHLNASA-N 0 3 245.391 3.612 20 0 BHADHN c1ccc2c(c1)SC[C@@H]2N[C@H]1CC[C@@H]1C1CC1 ZINC000568022761 322900330 /nfs/dbraw/zinc/90/03/30/322900330.db2.gz CMVZHCFXFHGZJK-XBFCOCLRSA-N 0 3 245.391 3.612 20 0 BHADHN c1ccc2c(c1)SC[C@@H]2N[C@@H]1CC[C@H]1C1CC1 ZINC000568022762 322900278 /nfs/dbraw/zinc/90/02/78/322900278.db2.gz CMVZHCFXFHGZJK-YUTCNCBUSA-N 0 3 245.391 3.612 20 0 BHADHN Cc1ccc(CNC2(C3CC3)CC2)c(Cl)c1 ZINC000568030144 326297851 /nfs/dbraw/zinc/29/78/51/326297851.db2.gz JZGJTLIIEDSZOA-UHFFFAOYSA-N 0 3 235.758 3.681 20 0 BHADHN CCc1cccc(CNC[C@H](C)C(F)(F)F)c1 ZINC000568033890 326298931 /nfs/dbraw/zinc/29/89/31/326298931.db2.gz AQAQKZUFKLQPFQ-JTQLQIEISA-N 0 3 245.288 3.537 20 0 BHADHN CCc1cccc(CNC[C@@H](C)C(F)(F)F)c1 ZINC000568033891 326298674 /nfs/dbraw/zinc/29/86/74/326298674.db2.gz AQAQKZUFKLQPFQ-SNVBAGLBSA-N 0 3 245.288 3.537 20 0 BHADHN Cc1cc(OCCSC(C)C)c(C)c(C)n1 ZINC000568240600 326333336 /nfs/dbraw/zinc/33/33/36/326333336.db2.gz UDJFZWLYCUDTGQ-UHFFFAOYSA-N 0 3 239.384 3.527 20 0 BHADHN C[C@H](CC1CCCC1)N[C@H](C)c1cscn1 ZINC000568276985 326340147 /nfs/dbraw/zinc/34/01/47/326340147.db2.gz RWLAMOAPXYHZHC-GHMZBOCLSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](CC1CCCC1)N[C@@H](C)c1cscn1 ZINC000568276986 326340041 /nfs/dbraw/zinc/34/00/41/326340041.db2.gz RWLAMOAPXYHZHC-MNOVXSKESA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](CC1CCCC1)N[C@@H](C)c1cscn1 ZINC000568276987 326340162 /nfs/dbraw/zinc/34/01/62/326340162.db2.gz RWLAMOAPXYHZHC-QWRGUYRKSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@@H](N[C@@H](C)CC1CCCC1)c1cscn1 ZINC000568276988 326339952 /nfs/dbraw/zinc/33/99/52/326339952.db2.gz RWLAMOAPXYHZHC-WDEREUQCSA-N 0 3 238.400 3.763 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1ccn(C(C)C)n1 ZINC000568318116 326344437 /nfs/dbraw/zinc/34/44/37/326344437.db2.gz XICSXNVKZMRJJN-AWEZNQCLSA-N 0 3 249.402 3.689 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1ccn(C(C)C)n1 ZINC000568318117 326344526 /nfs/dbraw/zinc/34/45/26/326344526.db2.gz XICSXNVKZMRJJN-CQSZACIVSA-N 0 3 249.402 3.689 20 0 BHADHN Cc1ccc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1 ZINC000568520340 326362602 /nfs/dbraw/zinc/36/26/02/326362602.db2.gz WKRNYQZJJPYKGZ-NEPJUHHUSA-N 0 3 241.737 3.629 20 0 BHADHN Cc1ccc(CN[C@@H]2CC[C@H](F)C2)c(Cl)c1 ZINC000568520341 326362615 /nfs/dbraw/zinc/36/26/15/326362615.db2.gz WKRNYQZJJPYKGZ-NWDGAFQWSA-N 0 3 241.737 3.629 20 0 BHADHN Cc1ccc(CN[C@H]2CC[C@H](F)C2)c(Cl)c1 ZINC000568520342 326362553 /nfs/dbraw/zinc/36/25/53/326362553.db2.gz WKRNYQZJJPYKGZ-RYUDHWBXSA-N 0 3 241.737 3.629 20 0 BHADHN Cc1ccc(CN[C@@H]2CC[C@@H](F)C2)c(Cl)c1 ZINC000568520343 326362533 /nfs/dbraw/zinc/36/25/33/326362533.db2.gz WKRNYQZJJPYKGZ-VXGBXAGGSA-N 0 3 241.737 3.629 20 0 BHADHN C[C@H](NC1(C2CCC2)CCC1)c1cscn1 ZINC000568726991 326373680 /nfs/dbraw/zinc/37/36/80/326373680.db2.gz ZQOJQFJRPGYSOC-JTQLQIEISA-N 0 3 236.384 3.517 20 0 BHADHN C[C@@H](NC1(C2CCC2)CCC1)c1cscn1 ZINC000568726992 326373557 /nfs/dbraw/zinc/37/35/57/326373557.db2.gz ZQOJQFJRPGYSOC-SNVBAGLBSA-N 0 3 236.384 3.517 20 0 BHADHN CC[C@H](CNC1(CF)CCC1)c1ccccc1 ZINC000568763011 326375844 /nfs/dbraw/zinc/37/58/44/326375844.db2.gz IRHMIXPTHYMVTJ-CYBMUJFWSA-N 0 3 235.346 3.662 20 0 BHADHN CC[C@@H](CNC1(CF)CCC1)c1ccccc1 ZINC000568763022 326375799 /nfs/dbraw/zinc/37/57/99/326375799.db2.gz IRHMIXPTHYMVTJ-ZDUSSCGKSA-N 0 3 235.346 3.662 20 0 BHADHN C[C@H](CC(C)(C)C)NCc1noc2ccccc12 ZINC000568879771 326380381 /nfs/dbraw/zinc/38/03/81/326380381.db2.gz HJIYHUPGTSTILP-LLVKDONJSA-N 0 3 246.354 3.742 20 0 BHADHN C[C@@H](CC(C)(C)C)NCc1noc2ccccc12 ZINC000568879774 326380386 /nfs/dbraw/zinc/38/03/86/326380386.db2.gz HJIYHUPGTSTILP-NSHDSACASA-N 0 3 246.354 3.742 20 0 BHADHN CN(Cc1ccccc1OC(F)F)C(C)(C)C ZINC000568997224 326385625 /nfs/dbraw/zinc/38/56/25/326385625.db2.gz IHKCLATVNMZQTQ-UHFFFAOYSA-N 0 3 243.297 3.518 20 0 BHADHN CC(C)=CCN(C)Cc1ccc(F)c(C)c1 ZINC000569031894 326387645 /nfs/dbraw/zinc/38/76/45/326387645.db2.gz YGNRCNCTPJHHJK-UHFFFAOYSA-N 0 3 221.319 3.532 20 0 BHADHN C[C@@H]1C[C@@H](C)N1Cc1cc2ccccc2s1 ZINC000569181427 326393715 /nfs/dbraw/zinc/39/37/15/326393715.db2.gz IZBNRXNOIGBUBC-GHMZBOCLSA-N 0 3 231.364 3.884 20 0 BHADHN C[C@@H]1C[C@H](C)N1Cc1cc2ccccc2s1 ZINC000569181437 326393835 /nfs/dbraw/zinc/39/38/35/326393835.db2.gz IZBNRXNOIGBUBC-PHIMTYICSA-N 0 3 231.364 3.884 20 0 BHADHN C[C@H]1C[C@H](C)N1Cc1cc2ccccc2s1 ZINC000569181438 326393807 /nfs/dbraw/zinc/39/38/07/326393807.db2.gz IZBNRXNOIGBUBC-QWRGUYRKSA-N 0 3 231.364 3.884 20 0 BHADHN Fc1ccc(CN2CCC3(CCCC3)CC2)cc1 ZINC000569276981 326398724 /nfs/dbraw/zinc/39/87/24/326398724.db2.gz XIVCGIGBAUMCHJ-UHFFFAOYSA-N 0 3 247.357 3.982 20 0 BHADHN c1c2ccccc2oc1CN1CC(C2CCC2)C1 ZINC000569341903 398106719 /nfs/dbraw/zinc/10/67/19/398106719.db2.gz XOWZTECPPQSNPI-UHFFFAOYSA-N 0 3 241.334 3.665 20 0 BHADHN F[C@@H]1CCC[C@@H](NCc2ccsc2Cl)C1 ZINC000569361619 383899843 /nfs/dbraw/zinc/89/98/43/383899843.db2.gz IWTZOHFFDKEKBQ-NXEZZACHSA-N 0 3 247.766 3.772 20 0 BHADHN F[C@H]1CCC[C@H](NCc2ccsc2Cl)C1 ZINC000569361620 383899195 /nfs/dbraw/zinc/89/91/95/383899195.db2.gz IWTZOHFFDKEKBQ-UWVGGRQHSA-N 0 3 247.766 3.772 20 0 BHADHN F[C@H]1CCC[C@@H](NCc2ccsc2Cl)C1 ZINC000569361621 383899748 /nfs/dbraw/zinc/89/97/48/383899748.db2.gz IWTZOHFFDKEKBQ-VHSXEESVSA-N 0 3 247.766 3.772 20 0 BHADHN F[C@@H]1CCC[C@H](NCc2ccsc2Cl)C1 ZINC000569361622 322964319 /nfs/dbraw/zinc/96/43/19/322964319.db2.gz IWTZOHFFDKEKBQ-ZJUUUORDSA-N 0 3 247.766 3.772 20 0 BHADHN CCC(CC)N(CC)Cc1nc2ccccc2o1 ZINC000569385462 383977139 /nfs/dbraw/zinc/97/71/39/383977139.db2.gz AMHYTALPFOJWFQ-UHFFFAOYSA-N 0 3 246.354 3.838 20 0 BHADHN Fc1ccccc1C=C1CCN(C2CCC2)CC1 ZINC000569392136 322965327 /nfs/dbraw/zinc/96/53/27/322965327.db2.gz VSKOOBUBWWGWDZ-UHFFFAOYSA-N 0 3 245.341 3.857 20 0 BHADHN CC1(CN(Cc2ccccc2F)C2CC2)CC1 ZINC000569424535 384009656 /nfs/dbraw/zinc/00/96/56/384009656.db2.gz CTTRJIZWTOZUTN-UHFFFAOYSA-N 0 3 233.330 3.590 20 0 BHADHN C/C(=C/c1ccccc1)CN[C@H]1CCC[C@H]1F ZINC000569495496 384122757 /nfs/dbraw/zinc/12/27/57/384122757.db2.gz MCVSGRWVMXOCNK-JXRSSESESA-N 0 3 233.330 3.570 20 0 BHADHN C/C(=C\c1ccccc1)CN[C@H]1CCC[C@H]1F ZINC000569495497 384123012 /nfs/dbraw/zinc/12/30/12/384123012.db2.gz MCVSGRWVMXOCNK-KATLRKPDSA-N 0 3 233.330 3.570 20 0 BHADHN CC1=CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000569507233 384147821 /nfs/dbraw/zinc/14/78/21/384147821.db2.gz ITRIGEZAJARZGY-IHWYPQMZSA-N 0 3 249.304 3.630 20 0 BHADHN CC1=CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000569507239 384147360 /nfs/dbraw/zinc/14/73/60/384147360.db2.gz ITRIGEZAJARZGY-NSCUHMNNSA-N 0 3 249.304 3.630 20 0 BHADHN c1cc2cc(CN3C4CCC3CC4)ccc2o1 ZINC000569650286 323035537 /nfs/dbraw/zinc/03/55/37/323035537.db2.gz XZOJFPGSLUBSKI-UHFFFAOYSA-N 0 3 227.307 3.560 20 0 BHADHN FC(F)[C@H]1C[C@@H]1NCc1ccc2ccccc2c1 ZINC000569735138 323039364 /nfs/dbraw/zinc/03/93/64/323039364.db2.gz MYOFIZJJIMFTJX-KBPBESRZSA-N 0 3 247.288 3.583 20 0 BHADHN Clc1ccc(CN2CCCC23CCC3)cc1 ZINC000569757553 323039809 /nfs/dbraw/zinc/03/98/09/323039809.db2.gz SPBBCHIINDQUEY-UHFFFAOYSA-N 0 3 235.758 3.859 20 0 BHADHN Cc1ccc(CN2CCCc3occc3C2)s1 ZINC000569830748 323042049 /nfs/dbraw/zinc/04/20/49/323042049.db2.gz UBUXIJPALDPQEP-UHFFFAOYSA-N 0 3 247.363 3.598 20 0 BHADHN Cc1nsc(C)c1CN1[C@H](C)CCC[C@@H]1C ZINC000569864255 323042964 /nfs/dbraw/zinc/04/29/64/323042964.db2.gz VNDOWJYDKVILEJ-AOOOYVTPSA-N 0 3 238.400 3.523 20 0 BHADHN Cc1ccc2c(c1C)OC[C@@H]2N[C@H]1CCC1(C)C ZINC000569947596 323045564 /nfs/dbraw/zinc/04/55/64/323045564.db2.gz DCDWIRXOJVOJHW-KBPBESRZSA-N 0 3 245.366 3.515 20 0 BHADHN Cc1ccc2c(c1C)OC[C@H]2N[C@H]1CCC1(C)C ZINC000569947604 323045515 /nfs/dbraw/zinc/04/55/15/323045515.db2.gz DCDWIRXOJVOJHW-KGLIPLIRSA-N 0 3 245.366 3.515 20 0 BHADHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1CCC1(C)C ZINC000569947606 323045562 /nfs/dbraw/zinc/04/55/62/323045562.db2.gz DCDWIRXOJVOJHW-UONOGXRCSA-N 0 3 245.366 3.515 20 0 BHADHN Cc1ccc2c(c1C)OC[C@H]2N[C@@H]1CCC1(C)C ZINC000569947608 323045596 /nfs/dbraw/zinc/04/55/96/323045596.db2.gz DCDWIRXOJVOJHW-ZIAGYGMSSA-N 0 3 245.366 3.515 20 0 BHADHN CN(Cc1cnc(C(C)(C)C)s1)C(C)(C)C ZINC000569972844 323046148 /nfs/dbraw/zinc/04/61/48/323046148.db2.gz YOMGOCUXINIRBP-UHFFFAOYSA-N 0 3 240.416 3.671 20 0 BHADHN CN(Cc1ccccc1Cl)CC1(C)CC1 ZINC000569994434 323046903 /nfs/dbraw/zinc/04/69/03/323046903.db2.gz NZMZDUUVLPYRJJ-UHFFFAOYSA-N 0 3 223.747 3.572 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1cc(F)ccc1Cl ZINC000570356701 323057421 /nfs/dbraw/zinc/05/74/21/323057421.db2.gz YHHRVBOFKUUUPM-SECBINFHSA-N 0 3 241.737 3.709 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1cc(F)ccc1Cl ZINC000570356704 323057282 /nfs/dbraw/zinc/05/72/82/323057282.db2.gz YHHRVBOFKUUUPM-VIFPVBQESA-N 0 3 241.737 3.709 20 0 BHADHN CC(C)c1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1 ZINC000570360637 323057257 /nfs/dbraw/zinc/05/72/57/323057257.db2.gz VJWIRNIPDJWCAG-STQMWFEESA-N 0 3 239.309 3.553 20 0 BHADHN CC(C)N(Cc1ccccn1)CC1=CCCCC1 ZINC000570363392 323057586 /nfs/dbraw/zinc/05/75/86/323057586.db2.gz DUKOGOGKYNYBCB-UHFFFAOYSA-N 0 3 244.382 3.792 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1occc1C ZINC000570403890 323058574 /nfs/dbraw/zinc/05/85/74/323058574.db2.gz IXCAVKRJUAKGFJ-GFCCVEGCSA-N 0 3 209.333 3.599 20 0 BHADHN CCCC[C@H](C)N(C)Cc1occc1C ZINC000570403891 323058581 /nfs/dbraw/zinc/05/85/81/323058581.db2.gz IXCAVKRJUAKGFJ-LBPRGKRZSA-N 0 3 209.333 3.599 20 0 BHADHN CCCC[C@@H](C)[C@H](C)NCc1ncccc1F ZINC000570480568 323060755 /nfs/dbraw/zinc/06/07/55/323060755.db2.gz MIBNYAMNQZVDDL-NEPJUHHUSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@H](C)[C@@H](C)NCc1ncccc1F ZINC000570480571 323060775 /nfs/dbraw/zinc/06/07/75/323060775.db2.gz MIBNYAMNQZVDDL-NWDGAFQWSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@H](C)[C@H](C)NCc1ncccc1F ZINC000570480572 323060665 /nfs/dbraw/zinc/06/06/65/323060665.db2.gz MIBNYAMNQZVDDL-RYUDHWBXSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@@H](C)[C@@H](C)NCc1ncccc1F ZINC000570480573 323060663 /nfs/dbraw/zinc/06/06/63/323060663.db2.gz MIBNYAMNQZVDDL-VXGBXAGGSA-N 0 3 238.350 3.525 20 0 BHADHN Cc1cnccc1CN1CCC(C(C)(C)C)CC1 ZINC000570516250 323061568 /nfs/dbraw/zinc/06/15/68/323061568.db2.gz ZCGTWGYDKZWCGE-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CC[C@H](C)NC2(CF)CCC2)cc1 ZINC000570633185 323065351 /nfs/dbraw/zinc/06/53/51/323065351.db2.gz HGRKHOLPJKDDKB-AWEZNQCLSA-N 0 3 249.373 3.798 20 0 BHADHN Cc1ccc(CC[C@@H](C)NC2(CF)CCC2)cc1 ZINC000570633191 323065379 /nfs/dbraw/zinc/06/53/79/323065379.db2.gz HGRKHOLPJKDDKB-CQSZACIVSA-N 0 3 249.373 3.798 20 0 BHADHN CCc1cccc(CNCc2ccc(C)s2)c1 ZINC000570687564 323066887 /nfs/dbraw/zinc/06/68/87/323066887.db2.gz JDZYJGLEOMTVQM-UHFFFAOYSA-N 0 3 245.391 3.909 20 0 BHADHN CC1(C)CN(C/C=C\c2ccccc2)[C@@H]1C1CC1 ZINC000570735639 323068906 /nfs/dbraw/zinc/06/89/06/323068906.db2.gz ABKBSPOUYPNDIC-CXOKCQFOSA-N 0 3 241.378 3.820 20 0 BHADHN CC1(C)CN(C/C=C/c2ccccc2)[C@H]1C1CC1 ZINC000570735640 323069011 /nfs/dbraw/zinc/06/90/11/323069011.db2.gz ABKBSPOUYPNDIC-FSNWXROXSA-N 0 3 241.378 3.820 20 0 BHADHN CC1(C)CN(C/C=C\c2ccccc2)[C@H]1C1CC1 ZINC000570735641 323069035 /nfs/dbraw/zinc/06/90/35/323069035.db2.gz ABKBSPOUYPNDIC-HWYHOQROSA-N 0 3 241.378 3.820 20 0 BHADHN CC1(C)CN(C/C=C/c2ccccc2)[C@@H]1C1CC1 ZINC000570735642 323068962 /nfs/dbraw/zinc/06/89/62/323068962.db2.gz ABKBSPOUYPNDIC-YXMGTMDOSA-N 0 3 241.378 3.820 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2C[C@@H]2C(F)F)cc1C ZINC000570749113 323069220 /nfs/dbraw/zinc/06/92/20/323069220.db2.gz OTNLLIISWGNXKG-DRZSPHRISA-N 0 3 239.309 3.608 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)cc1C ZINC000570749117 323069307 /nfs/dbraw/zinc/06/93/07/323069307.db2.gz OTNLLIISWGNXKG-WXHSDQCUSA-N 0 3 239.309 3.608 20 0 BHADHN CC1(C)CC[C@@H]1NCc1ccccc1OC1CC1 ZINC000570814359 323071444 /nfs/dbraw/zinc/07/14/44/323071444.db2.gz OTSKJBYFDRWVQN-HNNXBMFYSA-N 0 3 245.366 3.506 20 0 BHADHN CC1(C)CC[C@H]1NCc1ccccc1OC1CC1 ZINC000570814363 323071435 /nfs/dbraw/zinc/07/14/35/323071435.db2.gz OTSKJBYFDRWVQN-OAHLLOKOSA-N 0 3 245.366 3.506 20 0 BHADHN COC[C@@H](C)N[C@@H](C)c1cccc(CC(C)C)c1 ZINC000570820288 323071592 /nfs/dbraw/zinc/07/15/92/323071592.db2.gz FYEHTHCPRUVDMV-KGLIPLIRSA-N 0 3 249.398 3.571 20 0 BHADHN COC[C@@H](C)N[C@H](C)c1cccc(CC(C)C)c1 ZINC000570820293 323071621 /nfs/dbraw/zinc/07/16/21/323071621.db2.gz FYEHTHCPRUVDMV-ZIAGYGMSSA-N 0 3 249.398 3.571 20 0 BHADHN FCC1(N[C@H]2CC[C@@H](c3ccccc3)C2)CCC1 ZINC000570844728 323072422 /nfs/dbraw/zinc/07/24/22/323072422.db2.gz BBPOBUPUOVCZFB-CABCVRRESA-N 0 3 247.357 3.805 20 0 BHADHN FCC1(N[C@H]2CC[C@H](c3ccccc3)C2)CCC1 ZINC000570844729 323072469 /nfs/dbraw/zinc/07/24/69/323072469.db2.gz BBPOBUPUOVCZFB-GJZGRUSLSA-N 0 3 247.357 3.805 20 0 BHADHN FCC1(N[C@@H]2CC[C@@H](c3ccccc3)C2)CCC1 ZINC000570844731 323072440 /nfs/dbraw/zinc/07/24/40/323072440.db2.gz BBPOBUPUOVCZFB-HUUCEWRRSA-N 0 3 247.357 3.805 20 0 BHADHN FCC1(N[C@@H]2CC[C@H](c3ccccc3)C2)CCC1 ZINC000570844732 323072424 /nfs/dbraw/zinc/07/24/24/323072424.db2.gz BBPOBUPUOVCZFB-LSDHHAIUSA-N 0 3 247.357 3.805 20 0 BHADHN C/C(=C\c1ccccc1)CN1CC(C2CCC2)C1 ZINC000570886559 323073375 /nfs/dbraw/zinc/07/33/75/323073375.db2.gz YJXGEYTZZPJOAD-GXDHUFHOSA-N 0 3 241.378 3.822 20 0 BHADHN C/C(=C/c1ccccc1)CN1CC(C2CCC2)C1 ZINC000570886560 323073380 /nfs/dbraw/zinc/07/33/80/323073380.db2.gz YJXGEYTZZPJOAD-UVTDQMKNSA-N 0 3 241.378 3.822 20 0 BHADHN F[C@]1(c2ccccc2)C[C@@H]1N[C@H]1CCCC12CC2 ZINC000570943571 323076310 /nfs/dbraw/zinc/07/63/10/323076310.db2.gz YLMCPUKIGJNDCN-DZKIICNBSA-N 0 3 245.341 3.546 20 0 BHADHN F[C@]1(c2ccccc2)C[C@H]1N[C@@H]1CCCC12CC2 ZINC000570943572 323076261 /nfs/dbraw/zinc/07/62/61/323076261.db2.gz YLMCPUKIGJNDCN-FMKPAKJESA-N 0 3 245.341 3.546 20 0 BHADHN F[C@]1(c2ccccc2)C[C@H]1N[C@H]1CCCC12CC2 ZINC000570943573 323076322 /nfs/dbraw/zinc/07/63/22/323076322.db2.gz YLMCPUKIGJNDCN-LZWOXQAQSA-N 0 3 245.341 3.546 20 0 BHADHN F[C@]1(c2ccccc2)C[C@@H]1N[C@@H]1CCCC12CC2 ZINC000570943574 323076283 /nfs/dbraw/zinc/07/62/83/323076283.db2.gz YLMCPUKIGJNDCN-YCPHGPKFSA-N 0 3 245.341 3.546 20 0 BHADHN CC1=C[C@@H](C)CN(Cc2ccc3occc3c2)C1 ZINC000571090874 323135439 /nfs/dbraw/zinc/13/54/39/323135439.db2.gz KPSVWWKXTYRSHK-GFCCVEGCSA-N 0 3 241.334 3.831 20 0 BHADHN CC1=C[C@H](C)CN(Cc2ccc3occc3c2)C1 ZINC000571090876 323135512 /nfs/dbraw/zinc/13/55/12/323135512.db2.gz KPSVWWKXTYRSHK-LBPRGKRZSA-N 0 3 241.334 3.831 20 0 BHADHN Fc1cccc(C=C2CCN(C3CCC3)CC2)c1 ZINC000571101813 323135374 /nfs/dbraw/zinc/13/53/74/323135374.db2.gz IJLXVFCNGRFKAJ-UHFFFAOYSA-N 0 3 245.341 3.857 20 0 BHADHN CCC[C@@H](N[C@@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000571112216 323135893 /nfs/dbraw/zinc/13/58/93/323135893.db2.gz SUMWLSSPKMLBRF-GXTWGEPZSA-N 0 3 249.402 3.809 20 0 BHADHN CCC[C@H](N[C@@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000571112217 323135855 /nfs/dbraw/zinc/13/58/55/323135855.db2.gz SUMWLSSPKMLBRF-JSGCOSHPSA-N 0 3 249.402 3.809 20 0 BHADHN CCC[C@H](N[C@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000571112218 323135821 /nfs/dbraw/zinc/13/58/21/323135821.db2.gz SUMWLSSPKMLBRF-OCCSQVGLSA-N 0 3 249.402 3.809 20 0 BHADHN CCC[C@@H](N[C@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000571112219 323135928 /nfs/dbraw/zinc/13/59/28/323135928.db2.gz SUMWLSSPKMLBRF-TZMCWYRMSA-N 0 3 249.402 3.809 20 0 BHADHN CCc1ccc(CN[C@@H]2C[C@H]2c2ccco2)s1 ZINC000571177745 323137094 /nfs/dbraw/zinc/13/70/94/323137094.db2.gz QYMCYVVALMIKOZ-CHWSQXEVSA-N 0 3 247.363 3.549 20 0 BHADHN CC(C)=CCN(C)Cc1cc2ccccc2o1 ZINC000571241675 323139252 /nfs/dbraw/zinc/13/92/52/323139252.db2.gz ZAKVLSJFAAWGKR-UHFFFAOYSA-N 0 3 229.323 3.831 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(C)on1 ZINC000571249045 323139173 /nfs/dbraw/zinc/13/91/73/323139173.db2.gz BAWBGIPOQWYKFY-JHJVBQTASA-N 0 3 236.359 3.602 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cc(C)on1 ZINC000571249049 323139134 /nfs/dbraw/zinc/13/91/34/323139134.db2.gz BAWBGIPOQWYKFY-UPJWGTAASA-N 0 3 236.359 3.602 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cc(C)on1 ZINC000571249051 323139132 /nfs/dbraw/zinc/13/91/32/323139132.db2.gz BAWBGIPOQWYKFY-XQQFMLRXSA-N 0 3 236.359 3.602 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(C)on1 ZINC000571249052 323139082 /nfs/dbraw/zinc/13/90/82/323139082.db2.gz BAWBGIPOQWYKFY-YNEHKIRRSA-N 0 3 236.359 3.602 20 0 BHADHN CCCc1cccc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000571294078 323140522 /nfs/dbraw/zinc/14/05/22/323140522.db2.gz ZHCYUHBAVZCLPA-LSDHHAIUSA-N 0 3 235.346 3.619 20 0 BHADHN CC1(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000571473142 323145555 /nfs/dbraw/zinc/14/55/55/323145555.db2.gz UAZJYOGLDRGBNC-JTQLQIEISA-N 0 3 249.320 3.697 20 0 BHADHN CC1(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000571473143 323145578 /nfs/dbraw/zinc/14/55/78/323145578.db2.gz UAZJYOGLDRGBNC-SNVBAGLBSA-N 0 3 249.320 3.697 20 0 BHADHN Cc1nsc(C)c1CN(C)C1CCCCC1 ZINC000571484155 323145858 /nfs/dbraw/zinc/14/58/58/323145858.db2.gz QOKHFXGYTPCCKX-UHFFFAOYSA-N 0 3 238.400 3.524 20 0 BHADHN CCc1ccc(CN2CC[C@@H](CC(C)C)C2)nc1 ZINC000571585074 323148914 /nfs/dbraw/zinc/14/89/14/323148914.db2.gz YTGLVPKBEFOVBX-HNNXBMFYSA-N 0 3 246.398 3.512 20 0 BHADHN CCc1ccc(CN2CC[C@H](CC(C)C)C2)nc1 ZINC000571585075 323148847 /nfs/dbraw/zinc/14/88/47/323148847.db2.gz YTGLVPKBEFOVBX-OAHLLOKOSA-N 0 3 246.398 3.512 20 0 BHADHN C1=C[C@H](N2CCOC3(CCCC3)C2)CCCCC1 ZINC000571623571 323149650 /nfs/dbraw/zinc/14/96/50/323149650.db2.gz HKJYDSZHSUOETG-HNNXBMFYSA-N 0 3 249.398 3.520 20 0 BHADHN C1=C[C@@H](N2CCOC3(CCCC3)C2)CCCCC1 ZINC000571623572 323149655 /nfs/dbraw/zinc/14/96/55/323149655.db2.gz HKJYDSZHSUOETG-OAHLLOKOSA-N 0 3 249.398 3.520 20 0 BHADHN Clc1cccc(CCN2C3CCC2CC3)c1 ZINC000571643272 323150662 /nfs/dbraw/zinc/15/06/62/323150662.db2.gz GMUGVZJKOMPZCO-UHFFFAOYSA-N 0 3 235.758 3.509 20 0 BHADHN CCCC(CCC)N[C@@H](C)c1cscn1 ZINC000571702019 387149279 /nfs/dbraw/zinc/14/92/79/387149279.db2.gz ACQZSIHYPBDCQZ-JTQLQIEISA-N 0 3 226.389 3.763 20 0 BHADHN CCCC(CCC)N[C@H](C)c1cscn1 ZINC000571702020 323467521 /nfs/dbraw/zinc/46/75/21/323467521.db2.gz ACQZSIHYPBDCQZ-SNVBAGLBSA-N 0 3 226.389 3.763 20 0 BHADHN CC1(CN2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000571856271 387185910 /nfs/dbraw/zinc/18/59/10/387185910.db2.gz WAFZATOEMSSXJV-UHFFFAOYSA-N 0 3 245.341 3.715 20 0 BHADHN CCCC[C@@H](C)[C@H](C)NCc1cc(CC)no1 ZINC000571869622 323490741 /nfs/dbraw/zinc/49/07/41/323490741.db2.gz MDQORIBETFIHSL-NEPJUHHUSA-N 0 3 238.375 3.541 20 0 BHADHN CCCC[C@H](C)[C@@H](C)NCc1cc(CC)no1 ZINC000571869623 387182668 /nfs/dbraw/zinc/18/26/68/387182668.db2.gz MDQORIBETFIHSL-NWDGAFQWSA-N 0 3 238.375 3.541 20 0 BHADHN CCCC[C@H](C)[C@H](C)NCc1cc(CC)no1 ZINC000571869624 323490876 /nfs/dbraw/zinc/49/08/76/323490876.db2.gz MDQORIBETFIHSL-RYUDHWBXSA-N 0 3 238.375 3.541 20 0 BHADHN CCCC[C@@H](C)[C@@H](C)NCc1cc(CC)no1 ZINC000571869625 323490837 /nfs/dbraw/zinc/49/08/37/323490837.db2.gz MDQORIBETFIHSL-VXGBXAGGSA-N 0 3 238.375 3.541 20 0 BHADHN CC(C)c1cnc(CNC2CC(C)(C)C2)s1 ZINC000571896520 387196009 /nfs/dbraw/zinc/19/60/09/387196009.db2.gz DCXDQVCISSPMNM-UHFFFAOYSA-N 0 3 238.400 3.545 20 0 BHADHN COc1cccc2c1CCC[C@@H]2NCC=C(C)C ZINC000571981938 323516142 /nfs/dbraw/zinc/51/61/42/323516142.db2.gz SBXIIZGHQWOLQP-HNNXBMFYSA-N 0 3 245.366 3.628 20 0 BHADHN COc1cccc2c1CCC[C@H]2NCC=C(C)C ZINC000571981939 387214476 /nfs/dbraw/zinc/21/44/76/387214476.db2.gz SBXIIZGHQWOLQP-OAHLLOKOSA-N 0 3 245.366 3.628 20 0 BHADHN CC[C@H](F)CN(CC)Cc1ccc(C)cc1 ZINC000572101712 387233039 /nfs/dbraw/zinc/23/30/39/387233039.db2.gz SAEIVALJWNCUKX-AWEZNQCLSA-N 0 3 223.335 3.565 20 0 BHADHN CC[C@@H](F)CN(CC)Cc1ccc(C)cc1 ZINC000572101715 387231368 /nfs/dbraw/zinc/23/13/68/387231368.db2.gz SAEIVALJWNCUKX-CQSZACIVSA-N 0 3 223.335 3.565 20 0 BHADHN Cc1occc1CN(C)C[C@@H](C)c1ccccc1 ZINC000572157720 387252413 /nfs/dbraw/zinc/25/24/13/387252413.db2.gz JKLRFOBWHCFXMT-CYBMUJFWSA-N 0 3 243.350 3.824 20 0 BHADHN Cc1occc1CN(C)C[C@H](C)c1ccccc1 ZINC000572157721 387253063 /nfs/dbraw/zinc/25/30/63/387253063.db2.gz JKLRFOBWHCFXMT-ZDUSSCGKSA-N 0 3 243.350 3.824 20 0 BHADHN CSc1ccc(CN2CC[C@@H](C)[C@H]2C)s1 ZINC000572174272 387258482 /nfs/dbraw/zinc/25/84/82/387258482.db2.gz IFKROYAWRIJNFV-NXEZZACHSA-N 0 3 241.425 3.700 20 0 BHADHN CSc1ccc(CN2CC[C@H](C)[C@@H]2C)s1 ZINC000572174273 387257553 /nfs/dbraw/zinc/25/75/53/387257553.db2.gz IFKROYAWRIJNFV-UWVGGRQHSA-N 0 3 241.425 3.700 20 0 BHADHN CSc1ccc(CN2CC[C@H](C)[C@H]2C)s1 ZINC000572174274 387257239 /nfs/dbraw/zinc/25/72/39/387257239.db2.gz IFKROYAWRIJNFV-VHSXEESVSA-N 0 3 241.425 3.700 20 0 BHADHN CSc1ccc(CN2CC[C@@H](C)[C@@H]2C)s1 ZINC000572174275 387256734 /nfs/dbraw/zinc/25/67/34/387256734.db2.gz IFKROYAWRIJNFV-ZJUUUORDSA-N 0 3 241.425 3.700 20 0 BHADHN Fc1cccc(CN2CCC3(CCCC3)CC2)c1 ZINC000572287616 323588207 /nfs/dbraw/zinc/58/82/07/323588207.db2.gz ZJVRAYVBJSEXDG-UHFFFAOYSA-N 0 3 247.357 3.982 20 0 BHADHN CCCc1cccc(CN[C@H]2CCC[C@H]2F)c1 ZINC000572501675 324135164 /nfs/dbraw/zinc/13/51/64/324135164.db2.gz ZHCYUHBAVZCLPA-CABCVRRESA-N 0 3 235.346 3.619 20 0 BHADHN c1ccc(OC2CC2)c(CN2CCCCCC2)c1 ZINC000572525948 324190046 /nfs/dbraw/zinc/19/00/46/324190046.db2.gz QJCTVOYQTUFQOE-UHFFFAOYSA-N 0 3 245.366 3.604 20 0 BHADHN F[C@@H]1CCC[C@@H]1NCc1ccc2ccccc2c1 ZINC000572621338 323033718 /nfs/dbraw/zinc/03/37/18/323033718.db2.gz PXBZOVNKOOVQRW-CVEARBPZSA-N 0 3 243.325 3.820 20 0 BHADHN FC(F)[C@H]1C[C@@H]1NCc1cccc2ccccc21 ZINC000572625398 388362514 /nfs/dbraw/zinc/36/25/14/388362514.db2.gz CRSIDUPIASFUQB-KBPBESRZSA-N 0 3 247.288 3.583 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCCC23CC3)o1 ZINC000572663174 388364648 /nfs/dbraw/zinc/36/46/48/388364648.db2.gz HJOBJGAOISHEOQ-KYOSRNDESA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCCC23CC3)o1 ZINC000572663175 326403095 /nfs/dbraw/zinc/40/30/95/326403095.db2.gz HJOBJGAOISHEOQ-OSAQELSMSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCCC23CC3)o1 ZINC000572663176 388364068 /nfs/dbraw/zinc/36/40/68/388364068.db2.gz HJOBJGAOISHEOQ-UXIGCNINSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCCC23CC3)o1 ZINC000572663177 388364509 /nfs/dbraw/zinc/36/45/09/388364509.db2.gz HJOBJGAOISHEOQ-ZLDLUXBVSA-N 0 3 245.366 3.825 20 0 BHADHN CCc1ccc(CN2CC(C3CCC3)C2)s1 ZINC000572802076 388377889 /nfs/dbraw/zinc/37/78/89/388377889.db2.gz NGPZKHPEYCKGOB-UHFFFAOYSA-N 0 3 235.396 3.542 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1nc2ccccc2o1 ZINC000572804180 323102403 /nfs/dbraw/zinc/10/24/03/323102403.db2.gz ULEBZJSSGVHVOM-GFCCVEGCSA-N 0 3 246.354 3.838 20 0 BHADHN CCCC[C@H](C)N(C)Cc1nc2ccccc2o1 ZINC000572804181 323102322 /nfs/dbraw/zinc/10/23/22/323102322.db2.gz ULEBZJSSGVHVOM-LBPRGKRZSA-N 0 3 246.354 3.838 20 0 BHADHN CC1CN(Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000572848597 388380144 /nfs/dbraw/zinc/38/01/44/388380144.db2.gz RFFKMGQRFHJNAA-UHFFFAOYSA-N 0 3 245.297 3.537 20 0 BHADHN CC(C)(CF)NCc1ccc(C2CCC2)cc1 ZINC000572860319 364772578 /nfs/dbraw/zinc/77/25/78/364772578.db2.gz BPVNMMFEKUMXCH-UHFFFAOYSA-N 0 3 235.346 3.792 20 0 BHADHN CC(C)C[C@@H](C)CNCc1noc2ccccc12 ZINC000572899925 326418007 /nfs/dbraw/zinc/41/80/07/326418007.db2.gz PKIAJBNWSUMTCR-GFCCVEGCSA-N 0 3 246.354 3.600 20 0 BHADHN CC(C)C[C@H](C)CNCc1noc2ccccc12 ZINC000572899926 388386682 /nfs/dbraw/zinc/38/66/82/388386682.db2.gz PKIAJBNWSUMTCR-LBPRGKRZSA-N 0 3 246.354 3.600 20 0 BHADHN C[C@H](c1ccccc1Cl)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000573174812 388427156 /nfs/dbraw/zinc/42/71/56/388427156.db2.gz KSFPTZLBGSHBPC-RTXFEEFZSA-N 0 3 249.785 3.989 20 0 BHADHN C[C@@H](c1ccccc1Cl)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000573174813 388428062 /nfs/dbraw/zinc/42/80/62/388428062.db2.gz KSFPTZLBGSHBPC-WCFLWFBJSA-N 0 3 249.785 3.989 20 0 BHADHN CCC1CC(N[C@@H](C)c2ccc(F)cc2F)C1 ZINC000573345518 364805794 /nfs/dbraw/zinc/80/57/94/364805794.db2.gz FZFMRITWMOXUDC-BMQDGWLCSA-N 0 3 239.309 3.804 20 0 BHADHN Cc1ccc(CN2CC(C3CCC3)C2)cc1C ZINC000573407196 364825166 /nfs/dbraw/zinc/82/51/66/364825166.db2.gz IBUFFPKELQUKAI-UHFFFAOYSA-N 0 3 229.367 3.535 20 0 BHADHN Cc1cc(OCc2ccccc2F)c(C)c(C)n1 ZINC000573412260 364824677 /nfs/dbraw/zinc/82/46/77/364824677.db2.gz GLVODJPHORBWLZ-UHFFFAOYSA-N 0 3 245.297 3.725 20 0 BHADHN Cc1ccc([C@@H](N[C@@H]2CCC[C@@H]2F)C2CC2)cc1 ZINC000573453703 364838313 /nfs/dbraw/zinc/83/83/13/364838313.db2.gz GRCQYIDQFBJLKZ-ARFHVFGLSA-N 0 3 247.357 3.926 20 0 BHADHN Cc1ccc([C@H](N[C@@H]2CCC[C@@H]2F)C2CC2)cc1 ZINC000573453704 364838371 /nfs/dbraw/zinc/83/83/71/364838371.db2.gz GRCQYIDQFBJLKZ-XHSDSOJGSA-N 0 3 247.357 3.926 20 0 BHADHN CC(C)=CCN[C@H]1CSCCc2ccccc21 ZINC000573526523 364853722 /nfs/dbraw/zinc/85/37/22/364853722.db2.gz JCZKRNVVJZEZMN-HNNXBMFYSA-N 0 3 247.407 3.573 20 0 BHADHN CC(C)=CCN[C@@H]1CSCCc2ccccc21 ZINC000573526525 364853861 /nfs/dbraw/zinc/85/38/61/364853861.db2.gz JCZKRNVVJZEZMN-OAHLLOKOSA-N 0 3 247.407 3.573 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1c1ccccc1F)c1ccoc1 ZINC000573545050 364856670 /nfs/dbraw/zinc/85/66/70/364856670.db2.gz OGRJAZNTOHQNTA-RIEGTJTDSA-N 0 3 245.297 3.625 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1c1ccccc1F)c1ccoc1 ZINC000573545051 344305188 /nfs/dbraw/zinc/30/51/88/344305188.db2.gz OGRJAZNTOHQNTA-VZJVUDMVSA-N 0 3 245.297 3.625 20 0 BHADHN C[C@@H](N[C@H]1C[C@H](C)CC[C@@H]1C)c1cscn1 ZINC000573816572 364923669 /nfs/dbraw/zinc/92/36/69/364923669.db2.gz HFPOOZUKSHPYKM-KXNHARMFSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)c1cscn1 ZINC000573816575 364924006 /nfs/dbraw/zinc/92/40/06/364924006.db2.gz HFPOOZUKSHPYKM-NOOOWODRSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1C[C@H](C)CC[C@@H]1C)c1cscn1 ZINC000573816576 364924021 /nfs/dbraw/zinc/92/40/21/364924021.db2.gz HFPOOZUKSHPYKM-RHYQMDGZSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)c1cscn1 ZINC000573816577 364923752 /nfs/dbraw/zinc/92/37/52/364923752.db2.gz HFPOOZUKSHPYKM-WRWGMCAJSA-N 0 3 238.400 3.618 20 0 BHADHN COc1ccsc1[C@@H](C)NC1CC(C)(C)C1 ZINC000573817449 364923653 /nfs/dbraw/zinc/92/36/53/364923653.db2.gz MMBVKWFCNAOFBW-SECBINFHSA-N 0 3 239.384 3.596 20 0 BHADHN COc1ccsc1[C@H](C)NC1CC(C)(C)C1 ZINC000573817453 364923783 /nfs/dbraw/zinc/92/37/83/364923783.db2.gz MMBVKWFCNAOFBW-VIFPVBQESA-N 0 3 239.384 3.596 20 0 BHADHN CSc1ccc(CN(C)CCC2CC2)s1 ZINC000573854277 364930339 /nfs/dbraw/zinc/93/03/39/364930339.db2.gz REYYMONPJHHDIK-UHFFFAOYSA-N 0 3 241.425 3.702 20 0 BHADHN CCCN(Cc1cc(-c2ccco2)on1)C(C)C ZINC000573931243 364949142 /nfs/dbraw/zinc/94/91/42/364949142.db2.gz OZCQLDZJAXZMEX-UHFFFAOYSA-N 0 3 248.326 3.555 20 0 BHADHN CC/C=C\CCN1CCC=C(c2ccccn2)C1 ZINC000573931395 364948679 /nfs/dbraw/zinc/94/86/79/364948679.db2.gz UEJKBTNFPRRVFW-ARJAWSKDSA-N 0 3 242.366 3.527 20 0 BHADHN CC/C=C/CCN1CCC=C(c2ccccn2)C1 ZINC000573931396 364949237 /nfs/dbraw/zinc/94/92/37/364949237.db2.gz UEJKBTNFPRRVFW-ONEGZZNKSA-N 0 3 242.366 3.527 20 0 BHADHN CC(C)[C@@H]1CC[C@@H]1N[C@@H]1c2ccccc2O[C@@H]1C ZINC000574002630 364965162 /nfs/dbraw/zinc/96/51/62/364965162.db2.gz JYFDWSDTLCFQGA-DSPQJCBJSA-N 0 3 245.366 3.533 20 0 BHADHN CC(C)[C@@H]1CC[C@@H]1N[C@@H]1c2ccccc2O[C@H]1C ZINC000574002631 364965232 /nfs/dbraw/zinc/96/52/32/364965232.db2.gz JYFDWSDTLCFQGA-DUPGQFARSA-N 0 3 245.366 3.533 20 0 BHADHN CC(C)[C@@H]1CC[C@@H]1N[C@H]1c2ccccc2O[C@H]1C ZINC000574002633 364963119 /nfs/dbraw/zinc/96/31/19/364963119.db2.gz JYFDWSDTLCFQGA-LMRQPLJMSA-N 0 3 245.366 3.533 20 0 BHADHN CC(C)[C@@H]1CC[C@@H]1N[C@H]1c2ccccc2O[C@@H]1C ZINC000574002635 364963573 /nfs/dbraw/zinc/96/35/73/364963573.db2.gz JYFDWSDTLCFQGA-TWJWRFFLSA-N 0 3 245.366 3.533 20 0 BHADHN Cc1ccc(CNC2CC(C)(F)C2)c(Cl)c1 ZINC000574046227 364975836 /nfs/dbraw/zinc/97/58/36/364975836.db2.gz GKVXDCAUSMBYQV-UHFFFAOYSA-N 0 3 241.737 3.629 20 0 BHADHN CC(C)Oc1ccccc1CN(C)C(C)(C)C ZINC000574080074 364984058 /nfs/dbraw/zinc/98/40/58/364984058.db2.gz PRSQLTFLUZJWAG-UHFFFAOYSA-N 0 3 235.371 3.704 20 0 BHADHN CCc1cccc(CNCc2cc(C)cs2)c1 ZINC000574090944 364986268 /nfs/dbraw/zinc/98/62/68/364986268.db2.gz DPAXEGVGZUCJIQ-UHFFFAOYSA-N 0 3 245.391 3.909 20 0 BHADHN C[C@@H](N[C@H]1CCCC(C)(C)CC1)c1ccon1 ZINC000574292044 365032434 /nfs/dbraw/zinc/03/24/34/365032434.db2.gz HCUFGMCONYERGV-NEPJUHHUSA-N 0 3 236.359 3.684 20 0 BHADHN C[C@H](N[C@@H]1CCCC(C)(C)CC1)c1ccon1 ZINC000574292045 365032644 /nfs/dbraw/zinc/03/26/44/365032644.db2.gz HCUFGMCONYERGV-NWDGAFQWSA-N 0 3 236.359 3.684 20 0 BHADHN C[C@H](N[C@H]1CCCC(C)(C)CC1)c1ccon1 ZINC000574292046 365032499 /nfs/dbraw/zinc/03/24/99/365032499.db2.gz HCUFGMCONYERGV-RYUDHWBXSA-N 0 3 236.359 3.684 20 0 BHADHN C[C@@H](N[C@@H]1CCCC(C)(C)CC1)c1ccon1 ZINC000574292047 365032560 /nfs/dbraw/zinc/03/25/60/365032560.db2.gz HCUFGMCONYERGV-VXGBXAGGSA-N 0 3 236.359 3.684 20 0 BHADHN Cc1ccc(C)c(CN(C)CCOC(C)(C)C)c1 ZINC000574351020 365044685 /nfs/dbraw/zinc/04/46/85/365044685.db2.gz BMQVAEDCUQOXIB-UHFFFAOYSA-N 0 3 249.398 3.550 20 0 BHADHN Cc1nc(C)c([C@H](C)N(C)CC2(C)CC2)s1 ZINC000574382472 365048730 /nfs/dbraw/zinc/04/87/30/365048730.db2.gz JZSDYFGNHPRBBA-JTQLQIEISA-N 0 3 238.400 3.553 20 0 BHADHN Cc1nc(C)c([C@@H](C)N(C)CC2(C)CC2)s1 ZINC000574382473 365048216 /nfs/dbraw/zinc/04/82/16/365048216.db2.gz JZSDYFGNHPRBBA-SNVBAGLBSA-N 0 3 238.400 3.553 20 0 BHADHN CCC[C@H](NC1CC(C)(C)C1)c1ccccn1 ZINC000574626137 365104852 /nfs/dbraw/zinc/10/48/52/365104852.db2.gz BCKGOZJXNHIODU-AWEZNQCLSA-N 0 3 232.371 3.701 20 0 BHADHN CCC[C@@H](NC1CC(C)(C)C1)c1ccccn1 ZINC000574626138 365104216 /nfs/dbraw/zinc/10/42/16/365104216.db2.gz BCKGOZJXNHIODU-CQSZACIVSA-N 0 3 232.371 3.701 20 0 BHADHN Fc1cc(-c2ccco2)ccc1CNCC1CC1 ZINC000574635748 365107985 /nfs/dbraw/zinc/10/79/85/365107985.db2.gz UVXRLXKECJIOGJ-UHFFFAOYSA-N 0 3 245.297 3.585 20 0 BHADHN CN(Cc1ccccc1Cl)C(C)(C)C ZINC000574687930 344960704 /nfs/dbraw/zinc/96/07/04/344960704.db2.gz BAKGCAXUPSHRCE-UHFFFAOYSA-N 0 3 211.736 3.570 20 0 BHADHN Cc1cc2cc(CN3CC(C)C3)oc2cc1C ZINC000574707176 365127427 /nfs/dbraw/zinc/12/74/27/365127427.db2.gz TUSGVWITJDSSGI-UHFFFAOYSA-N 0 3 229.323 3.501 20 0 BHADHN C[C@@H]1C[C@@H]1CN(C)Cc1cc(Cl)ccc1F ZINC000574714956 365129119 /nfs/dbraw/zinc/12/91/19/365129119.db2.gz YGSBRIJBICRPSB-NXEZZACHSA-N 0 3 241.737 3.567 20 0 BHADHN C[C@H]1C[C@H]1CN(C)Cc1cc(Cl)ccc1F ZINC000574714958 365129762 /nfs/dbraw/zinc/12/97/62/365129762.db2.gz YGSBRIJBICRPSB-UWVGGRQHSA-N 0 3 241.737 3.567 20 0 BHADHN C[C@H]1C[C@@H]1CN(C)Cc1cc(Cl)ccc1F ZINC000574714960 365129888 /nfs/dbraw/zinc/12/98/88/365129888.db2.gz YGSBRIJBICRPSB-VHSXEESVSA-N 0 3 241.737 3.567 20 0 BHADHN C[C@@H]1C[C@H]1CN(C)Cc1cc(Cl)ccc1F ZINC000574714962 365130059 /nfs/dbraw/zinc/13/00/59/365130059.db2.gz YGSBRIJBICRPSB-ZJUUUORDSA-N 0 3 241.737 3.567 20 0 BHADHN CC(C)=CCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000574722804 365129259 /nfs/dbraw/zinc/12/92/59/365129259.db2.gz RYGNJZZQDIWUIE-LLVKDONJSA-N 0 3 249.320 3.863 20 0 BHADHN CC(C)=CCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000574722806 365129476 /nfs/dbraw/zinc/12/94/76/365129476.db2.gz RYGNJZZQDIWUIE-NSHDSACASA-N 0 3 249.320 3.863 20 0 BHADHN CC[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(C)cc1 ZINC000574828234 365155683 /nfs/dbraw/zinc/15/56/83/365155683.db2.gz NPGYTZQBVCNASL-KFWWJZLASA-N 0 3 235.346 3.926 20 0 BHADHN CC(C)COc1ccccc1CN1[C@@H](C)C[C@@H]1C ZINC000574951293 346430288 /nfs/dbraw/zinc/43/02/88/346430288.db2.gz RYJVPECKUHNUFC-KBPBESRZSA-N 0 3 247.382 3.704 20 0 BHADHN CC(C)COc1ccccc1CN1[C@H](C)C[C@@H]1C ZINC000574951294 346430414 /nfs/dbraw/zinc/43/04/14/346430414.db2.gz RYJVPECKUHNUFC-OKILXGFUSA-N 0 3 247.382 3.704 20 0 BHADHN CC(C)COc1ccccc1CN1[C@H](C)C[C@H]1C ZINC000574951295 346430282 /nfs/dbraw/zinc/43/02/82/346430282.db2.gz RYJVPECKUHNUFC-ZIAGYGMSSA-N 0 3 247.382 3.704 20 0 BHADHN CCCC[C@H](C)N(CCCC)Cc1cnccn1 ZINC000575014831 346433076 /nfs/dbraw/zinc/43/30/76/346433076.db2.gz FLNWSOPGLKMCRS-AWEZNQCLSA-N 0 3 249.402 3.657 20 0 BHADHN CCCC[C@@H](C)N(CCCC)Cc1cnccn1 ZINC000575014832 346433035 /nfs/dbraw/zinc/43/30/35/346433035.db2.gz FLNWSOPGLKMCRS-CQSZACIVSA-N 0 3 249.402 3.657 20 0 BHADHN COc1ccc(Cl)cc1CN(C)C(C)(C)C ZINC000575057275 365180472 /nfs/dbraw/zinc/18/04/72/365180472.db2.gz NOMVZZLPEGBHBT-UHFFFAOYSA-N 0 3 241.762 3.579 20 0 BHADHN COc1ccc(Cl)c(CN(C)C(C)(C)C)c1 ZINC000575120605 365209407 /nfs/dbraw/zinc/20/94/07/365209407.db2.gz ANIQQRJRIZKMOG-UHFFFAOYSA-N 0 3 241.762 3.579 20 0 BHADHN CCCN(Cc1ccnn1C1CCCC1)C(C)C ZINC000575331322 365294099 /nfs/dbraw/zinc/29/40/99/365294099.db2.gz REGILWDKZJKGKH-UHFFFAOYSA-N 0 3 249.402 3.619 20 0 BHADHN F[C@@H]1CCCC[C@H]1NCc1ccc2[nH]ccc2c1 ZINC000575430206 365318746 /nfs/dbraw/zinc/31/87/46/365318746.db2.gz SXTDWFMBYWZWRR-UKRRQHHQSA-N 0 3 246.329 3.538 20 0 BHADHN FCC1(NCc2cccc3ccccc32)CCC1 ZINC000575748404 365350587 /nfs/dbraw/zinc/35/05/87/365350587.db2.gz KKINPTQGWAMATC-UHFFFAOYSA-N 0 3 243.325 3.822 20 0 BHADHN CN(CCc1ccccc1F)Cc1cccs1 ZINC000575775984 365360937 /nfs/dbraw/zinc/36/09/37/365360937.db2.gz SYNREEGBRYXBRI-UHFFFAOYSA-N 0 3 249.354 3.562 20 0 BHADHN Cc1ccc2cc(CN3CCC3(C)C)ccc2n1 ZINC000575862352 365389295 /nfs/dbraw/zinc/38/92/95/365389295.db2.gz QYDQVWGRFIYLHP-UHFFFAOYSA-N 0 3 240.350 3.528 20 0 BHADHN Cc1ccc(CCN[C@H](C)c2cc(C)oc2C)o1 ZINC000575867590 365394871 /nfs/dbraw/zinc/39/48/71/365394871.db2.gz BXKZGUQQLMPXMJ-GFCCVEGCSA-N 0 3 247.338 3.691 20 0 BHADHN Cc1ccc(CCN[C@@H](C)c2cc(C)oc2C)o1 ZINC000575867591 365394692 /nfs/dbraw/zinc/39/46/92/365394692.db2.gz BXKZGUQQLMPXMJ-LBPRGKRZSA-N 0 3 247.338 3.691 20 0 BHADHN CCCC(C)(C)NCc1cc(OC)ccc1F ZINC000575895450 388474280 /nfs/dbraw/zinc/47/42/80/388474280.db2.gz KUDISZNURMFNJV-UHFFFAOYSA-N 0 3 239.334 3.503 20 0 BHADHN CCCN(CC)Cc1ccc(SC)s1 ZINC000575913633 365410619 /nfs/dbraw/zinc/41/06/19/365410619.db2.gz BRIBUAPXVVHRIZ-UHFFFAOYSA-N 0 3 229.414 3.702 20 0 BHADHN C[C@@H]1[C@H](NC2(CF)CCC2)C[C@@H]1c1ccccc1 ZINC000576280701 365549290 /nfs/dbraw/zinc/54/92/90/365549290.db2.gz JFAFNDYRFMYZEO-AEGPPILISA-N 0 3 247.357 3.660 20 0 BHADHN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NC1(CF)CCC1 ZINC000576280702 365549604 /nfs/dbraw/zinc/54/96/04/365549604.db2.gz JFAFNDYRFMYZEO-CFVMTHIKSA-N 0 3 247.357 3.660 20 0 BHADHN C[C@@H]1[C@H](NC2(CF)CCC2)C[C@H]1c1ccccc1 ZINC000576280703 365549826 /nfs/dbraw/zinc/54/98/26/365549826.db2.gz JFAFNDYRFMYZEO-NWANDNLSSA-N 0 3 247.357 3.660 20 0 BHADHN C[C@@H]1[C@@H](NC2(CF)CCC2)C[C@@H]1c1ccccc1 ZINC000576280704 365549803 /nfs/dbraw/zinc/54/98/03/365549803.db2.gz JFAFNDYRFMYZEO-QEJZJMRPSA-N 0 3 247.357 3.660 20 0 BHADHN Cc1nc2ccc(CN3[C@H](C)C[C@@H]3C)cc2s1 ZINC000576738236 365673834 /nfs/dbraw/zinc/67/38/34/365673834.db2.gz FXEVQOMMYMFTDL-AOOOYVTPSA-N 0 3 246.379 3.587 20 0 BHADHN Cc1nc2ccc(CN3[C@H](C)C[C@H]3C)cc2s1 ZINC000576738238 365673733 /nfs/dbraw/zinc/67/37/33/365673733.db2.gz FXEVQOMMYMFTDL-NXEZZACHSA-N 0 3 246.379 3.587 20 0 BHADHN Cc1nc2ccc(CN3[C@@H](C)C[C@@H]3C)cc2s1 ZINC000576738240 365671575 /nfs/dbraw/zinc/67/15/75/365671575.db2.gz FXEVQOMMYMFTDL-UWVGGRQHSA-N 0 3 246.379 3.587 20 0 BHADHN CCN(Cc1c(C)nsc1C)C1CCCC1 ZINC000576766540 365680846 /nfs/dbraw/zinc/68/08/46/365680846.db2.gz ZCZRDAOEYULNKR-UHFFFAOYSA-N 0 3 238.400 3.524 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H]2CCC[C@@H](F)C2)o1 ZINC000576822267 388506725 /nfs/dbraw/zinc/50/67/25/388506725.db2.gz FGVNTNUEUWQFGR-QJPTWQEYSA-N 0 3 239.334 3.773 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H]2CCC[C@H](F)C2)o1 ZINC000576822268 388507158 /nfs/dbraw/zinc/50/71/58/388507158.db2.gz FGVNTNUEUWQFGR-SDDRHHMPSA-N 0 3 239.334 3.773 20 0 BHADHN CCc1ccc([C@H](C)N[C@H]2CCC[C@H](F)C2)o1 ZINC000576822269 365695007 /nfs/dbraw/zinc/69/50/07/365695007.db2.gz FGVNTNUEUWQFGR-SRVKXCTJSA-N 0 3 239.334 3.773 20 0 BHADHN CCc1ccc([C@H](C)N[C@H]2CCC[C@@H](F)C2)o1 ZINC000576822270 365694568 /nfs/dbraw/zinc/69/45/68/365694568.db2.gz FGVNTNUEUWQFGR-TUAOUCFPSA-N 0 3 239.334 3.773 20 0 BHADHN Clc1ccccc1CN(CC1CC1)CC1CC1 ZINC000577018301 365768986 /nfs/dbraw/zinc/76/89/86/365768986.db2.gz LMCFCPVYRCWOTL-UHFFFAOYSA-N 0 3 249.785 3.962 20 0 BHADHN CC1(c2ccccc2)CC(NC2(CF)CCC2)C1 ZINC000577108904 365817248 /nfs/dbraw/zinc/81/72/48/365817248.db2.gz KVFMTIJDOXGTSH-UHFFFAOYSA-N 0 3 247.357 3.589 20 0 BHADHN CC(C)[C@H]1CCN1Cc1cccc(Cl)c1 ZINC000577132874 365832125 /nfs/dbraw/zinc/83/21/25/365832125.db2.gz MSSFQZIGCOJURZ-CYBMUJFWSA-N 0 3 223.747 3.570 20 0 BHADHN CC(C)[C@@H]1CCN1Cc1cccc(Cl)c1 ZINC000577132875 365831600 /nfs/dbraw/zinc/83/16/00/365831600.db2.gz MSSFQZIGCOJURZ-ZDUSSCGKSA-N 0 3 223.747 3.570 20 0 BHADHN CC(C)C(CN(C)Cc1ccco1)C(C)C ZINC000577198811 365873975 /nfs/dbraw/zinc/87/39/75/365873975.db2.gz PLNXYBAGYWEJNY-UHFFFAOYSA-N 0 3 223.360 3.640 20 0 BHADHN C[C@@H]1c2c(F)cccc2CCN1CC1(C)CC1 ZINC000577256539 365902587 /nfs/dbraw/zinc/90/25/87/365902587.db2.gz NNBWBRBODGREGI-LLVKDONJSA-N 0 3 233.330 3.545 20 0 BHADHN C[C@H]1c2c(F)cccc2CCN1CC1(C)CC1 ZINC000577256541 365902912 /nfs/dbraw/zinc/90/29/12/365902912.db2.gz NNBWBRBODGREGI-NSHDSACASA-N 0 3 233.330 3.545 20 0 BHADHN CC(=O)c1cccc(CN(C)[C@H](C)C(C)(C)C)c1 ZINC000577348841 365930359 /nfs/dbraw/zinc/93/03/59/365930359.db2.gz DSMARMUYSIXFPL-CYBMUJFWSA-N 0 3 247.382 3.756 20 0 BHADHN CC(=O)c1cccc(CN(C)[C@@H](C)C(C)(C)C)c1 ZINC000577348849 365931483 /nfs/dbraw/zinc/93/14/83/365931483.db2.gz DSMARMUYSIXFPL-ZDUSSCGKSA-N 0 3 247.382 3.756 20 0 BHADHN C[C@H](N[C@H]1CC(C)(C)C[C@@H]1C)c1cscn1 ZINC000577388128 365941604 /nfs/dbraw/zinc/94/16/04/365941604.db2.gz APUMZBNVXHFZIM-DCAQKATOSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CC(C)(C)C[C@@H]1C)c1cscn1 ZINC000577388129 365941577 /nfs/dbraw/zinc/94/15/77/365941577.db2.gz APUMZBNVXHFZIM-GARJFASQSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@@H]1CC(C)(C)C[C@H]1C)c1cscn1 ZINC000577388130 365941836 /nfs/dbraw/zinc/94/18/36/365941836.db2.gz APUMZBNVXHFZIM-OUAUKWLOSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](N[C@H]1CC(C)(C)C[C@H]1C)c1cscn1 ZINC000577388131 365941562 /nfs/dbraw/zinc/94/15/62/365941562.db2.gz APUMZBNVXHFZIM-VWYCJHECSA-N 0 3 238.400 3.618 20 0 BHADHN CCc1cccc(CNCc2cccc(F)c2)c1 ZINC000577498075 365969879 /nfs/dbraw/zinc/96/98/79/365969879.db2.gz JMNHMSXDVUNBBP-UHFFFAOYSA-N 0 3 243.325 3.678 20 0 BHADHN CCCN(Cc1nc2ccccc2s1)C(C)C ZINC000577528401 365981080 /nfs/dbraw/zinc/98/10/80/365981080.db2.gz VPHJTGWSTCCBHL-UHFFFAOYSA-N 0 3 248.395 3.917 20 0 BHADHN CC(C)N1CCC(c2cccc(F)c2F)CC1 ZINC000577557921 365985520 /nfs/dbraw/zinc/98/55/20/365985520.db2.gz BFWVBVZFTUKOAT-UHFFFAOYSA-N 0 3 239.309 3.553 20 0 BHADHN CCCN(Cc1ccc(Cl)o1)C(C)C ZINC000577768450 366059179 /nfs/dbraw/zinc/05/91/79/366059179.db2.gz CLPUVXJMHNUKIB-UHFFFAOYSA-N 0 3 215.724 3.553 20 0 BHADHN CC1=CCCN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC000577782566 366061236 /nfs/dbraw/zinc/06/12/36/366061236.db2.gz CFHUFVOPBHHPJQ-HWKANZROSA-N 0 3 249.304 3.630 20 0 BHADHN CC1=CCCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC000577782567 366061076 /nfs/dbraw/zinc/06/10/76/366061076.db2.gz CFHUFVOPBHHPJQ-HYXAFXHYSA-N 0 3 249.304 3.630 20 0 BHADHN C[C@@H]1CCCN(Cc2ccccc2Cl)[C@H]1C ZINC000577790228 366061163 /nfs/dbraw/zinc/06/11/63/366061163.db2.gz CQXBQLDDDDCNPB-NEPJUHHUSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1[C@@H](C)CCCN1Cc1ccccc1Cl ZINC000577790229 366060440 /nfs/dbraw/zinc/06/04/40/366060440.db2.gz CQXBQLDDDDCNPB-NWDGAFQWSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@H]1CCCN(Cc2ccccc2Cl)[C@H]1C ZINC000577790230 366060503 /nfs/dbraw/zinc/06/05/03/366060503.db2.gz CQXBQLDDDDCNPB-RYUDHWBXSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1CCCN(Cc2ccccc2Cl)[C@@H]1C ZINC000577790231 366060907 /nfs/dbraw/zinc/06/09/07/366060907.db2.gz CQXBQLDDDDCNPB-VXGBXAGGSA-N 0 3 237.774 3.960 20 0 BHADHN Cc1cccc([C@H](C)N[C@H]2C[C@@H]2C(F)F)c1C ZINC000577835685 366075625 /nfs/dbraw/zinc/07/56/25/366075625.db2.gz NNRZVXPODSJQJI-DRZSPHRISA-N 0 3 239.309 3.608 20 0 BHADHN Cc1cccc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)c1C ZINC000577835686 366076555 /nfs/dbraw/zinc/07/65/55/366076555.db2.gz NNRZVXPODSJQJI-WXHSDQCUSA-N 0 3 239.309 3.608 20 0 BHADHN CCCCN(C)Cc1ccc(SC)s1 ZINC000577907958 366100983 /nfs/dbraw/zinc/10/09/83/366100983.db2.gz ZAIPRFJNHXMJJF-UHFFFAOYSA-N 0 3 229.414 3.702 20 0 BHADHN FC1(F)CCC12CN(CCC1CCCCC1)C2 ZINC000577908304 366100577 /nfs/dbraw/zinc/10/05/77/366100577.db2.gz NRAVXOLIONNXMH-UHFFFAOYSA-N 0 3 243.341 3.688 20 0 BHADHN CC(C)COc1ccccc1CN1CCC1(C)C ZINC000577998524 366167317 /nfs/dbraw/zinc/16/73/17/366167317.db2.gz RBNOCFGHLSNABD-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN C/C(=C\c1ccccc1)CNC1(CF)CCC1 ZINC000578069757 366218314 /nfs/dbraw/zinc/21/83/14/366218314.db2.gz VYNGWNYIPKWEAR-JLHYYAGUSA-N 0 3 233.330 3.572 20 0 BHADHN C/C(=C/c1ccccc1)CNC1(CF)CCC1 ZINC000578069758 366217956 /nfs/dbraw/zinc/21/79/56/366217956.db2.gz VYNGWNYIPKWEAR-RAXLEYEMSA-N 0 3 233.330 3.572 20 0 BHADHN CCC1CC(NC2(c3ccccc3F)CC2)C1 ZINC000578211710 366395452 /nfs/dbraw/zinc/39/54/52/366395452.db2.gz DHPYWGNYBCFAOT-UHFFFAOYSA-N 0 3 233.330 3.593 20 0 BHADHN c1coc(CNC[C@@H](c2ccccc2)C2CC2)c1 ZINC000578213041 366424053 /nfs/dbraw/zinc/42/40/53/366424053.db2.gz WYJFPNQHEHOSQO-INIZCTEOSA-N 0 3 241.334 3.563 20 0 BHADHN c1coc(CNC[C@H](c2ccccc2)C2CC2)c1 ZINC000578213042 366423603 /nfs/dbraw/zinc/42/36/03/366423603.db2.gz WYJFPNQHEHOSQO-MRXNPFEDSA-N 0 3 241.334 3.563 20 0 BHADHN CC1(CNCc2ccccc2OC2CCC2)CC1 ZINC000578390847 344853587 /nfs/dbraw/zinc/85/35/87/344853587.db2.gz JYNAOBXIJGPTBC-UHFFFAOYSA-N 0 3 245.366 3.508 20 0 BHADHN Cc1ccc2cc([C@@H](C)NCCCF)oc2c1 ZINC000578393395 366552410 /nfs/dbraw/zinc/55/24/10/366552410.db2.gz XBYZBCVRKDTMSN-LLVKDONJSA-N 0 3 235.302 3.751 20 0 BHADHN Cc1ccc2cc([C@H](C)NCCCF)oc2c1 ZINC000578393396 366552494 /nfs/dbraw/zinc/55/24/94/366552494.db2.gz XBYZBCVRKDTMSN-NSHDSACASA-N 0 3 235.302 3.751 20 0 BHADHN CC1=C[C@H](C)C[C@@H](CN(C)Cc2ccco2)C1 ZINC000578406928 366558208 /nfs/dbraw/zinc/55/82/08/366558208.db2.gz LBWROWGELQLZFN-GXTWGEPZSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=C[C@H](C)C[C@H](CN(C)Cc2ccco2)C1 ZINC000578406930 366557964 /nfs/dbraw/zinc/55/79/64/366557964.db2.gz LBWROWGELQLZFN-JSGCOSHPSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=C[C@@H](C)C[C@H](CN(C)Cc2ccco2)C1 ZINC000578406931 366558099 /nfs/dbraw/zinc/55/80/99/366558099.db2.gz LBWROWGELQLZFN-OCCSQVGLSA-N 0 3 233.355 3.704 20 0 BHADHN CC1=C[C@@H](C)C[C@@H](CN(C)Cc2ccco2)C1 ZINC000578406932 366557660 /nfs/dbraw/zinc/55/76/60/366557660.db2.gz LBWROWGELQLZFN-TZMCWYRMSA-N 0 3 233.355 3.704 20 0 BHADHN CC1(c2ccccc2)CCN(CC2(F)CC2)CC1 ZINC000578411642 366559960 /nfs/dbraw/zinc/55/99/60/366559960.db2.gz BQEQMHGBYNWRKC-UHFFFAOYSA-N 0 3 247.357 3.542 20 0 BHADHN CCc1ccc(CNC2CC(C(C)(C)C)C2)o1 ZINC000578423940 366563765 /nfs/dbraw/zinc/56/37/65/366563765.db2.gz HVJOGTWZCIODMC-UHFFFAOYSA-N 0 3 235.371 3.756 20 0 BHADHN CCC(CC)N(Cc1cncn1C(C)C)C1CC1 ZINC000578437522 366563926 /nfs/dbraw/zinc/56/39/26/366563926.db2.gz YYKBLOAJLGSODO-UHFFFAOYSA-N 0 3 249.402 3.617 20 0 BHADHN CC1=C[C@H](C)C[C@@H](CN(C)CCC(F)(F)F)C1 ZINC000578475071 366576370 /nfs/dbraw/zinc/57/63/70/366576370.db2.gz SROKQRXSKWFPGH-CMPLNLGQSA-N 0 3 249.320 3.863 20 0 BHADHN CC1=C[C@H](C)C[C@H](CN(C)CCC(F)(F)F)C1 ZINC000578475072 366575969 /nfs/dbraw/zinc/57/59/69/366575969.db2.gz SROKQRXSKWFPGH-JQWIXIFHSA-N 0 3 249.320 3.863 20 0 BHADHN CC1=C[C@@H](C)C[C@H](CN(C)CCC(F)(F)F)C1 ZINC000578475073 366576110 /nfs/dbraw/zinc/57/61/10/366576110.db2.gz SROKQRXSKWFPGH-PWSUYJOCSA-N 0 3 249.320 3.863 20 0 BHADHN CC1=C[C@@H](C)C[C@@H](CN(C)CCC(F)(F)F)C1 ZINC000578475074 366575902 /nfs/dbraw/zinc/57/59/02/366575902.db2.gz SROKQRXSKWFPGH-ZYHUDNBSSA-N 0 3 249.320 3.863 20 0 BHADHN CC(C)C1CC(NCc2cc3ccccc3o2)C1 ZINC000578478605 366576532 /nfs/dbraw/zinc/57/65/32/366576532.db2.gz DJSOCJYECWNCQS-UHFFFAOYSA-N 0 3 243.350 3.957 20 0 BHADHN Fc1ccccc1C1CCN(C2CCC2)CC1 ZINC000578711891 366629016 /nfs/dbraw/zinc/62/90/16/366629016.db2.gz WUDGRWQTHUSIAT-UHFFFAOYSA-N 0 3 233.330 3.558 20 0 BHADHN CC(C)C[C@@H](C)N(C)Cc1cc(Cl)cn1C ZINC000578895036 366669992 /nfs/dbraw/zinc/66/99/92/366669992.db2.gz POZVDGVGUYTXLF-LLVKDONJSA-N 0 3 242.794 3.545 20 0 BHADHN CC(C)C[C@H](C)N(C)Cc1cc(Cl)cn1C ZINC000578895040 366669844 /nfs/dbraw/zinc/66/98/44/366669844.db2.gz POZVDGVGUYTXLF-NSHDSACASA-N 0 3 242.794 3.545 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]1F)CCC2 ZINC000578917892 366675400 /nfs/dbraw/zinc/67/54/00/366675400.db2.gz YPXRPNULFRATLW-PMPSAXMXSA-N 0 3 247.357 3.853 20 0 BHADHN CSc1ccc(CN(C)CC(C)(C)C)s1 ZINC000578926519 366675155 /nfs/dbraw/zinc/67/51/55/366675155.db2.gz MLVVXWNRRKBNGJ-UHFFFAOYSA-N 0 3 243.441 3.948 20 0 BHADHN Cc1cc(Cl)cc(CN2C3CCC2CC3)c1 ZINC000578983309 366685671 /nfs/dbraw/zinc/68/56/71/366685671.db2.gz BEDORYDFHWENAD-UHFFFAOYSA-N 0 3 235.758 3.775 20 0 BHADHN CCc1nc(C(C)C)ccc1CN1[C@H](C)C[C@@H]1C ZINC000579027395 366699091 /nfs/dbraw/zinc/69/90/91/366699091.db2.gz DSLANRIDELICQG-BETUJISGSA-N 0 3 246.398 3.750 20 0 BHADHN CCc1nc(C(C)C)ccc1CN1[C@H](C)C[C@H]1C ZINC000579027396 366699265 /nfs/dbraw/zinc/69/92/65/366699265.db2.gz DSLANRIDELICQG-CHWSQXEVSA-N 0 3 246.398 3.750 20 0 BHADHN CCc1nc(C(C)C)ccc1CN1[C@@H](C)C[C@@H]1C ZINC000579027397 366699445 /nfs/dbraw/zinc/69/94/45/366699445.db2.gz DSLANRIDELICQG-STQMWFEESA-N 0 3 246.398 3.750 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H](F)C1)c1cc2ccccc2o1 ZINC000579040470 366700534 /nfs/dbraw/zinc/70/05/34/366700534.db2.gz MWBFFPQHLQWCOH-CYZMBNFOSA-N 0 3 247.313 3.974 20 0 BHADHN C[C@H](N[C@H]1CC[C@H](F)C1)c1cc2ccccc2o1 ZINC000579040471 366700692 /nfs/dbraw/zinc/70/06/92/366700692.db2.gz MWBFFPQHLQWCOH-DRZSPHRISA-N 0 3 247.313 3.974 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H](F)C1)c1cc2ccccc2o1 ZINC000579040472 366700704 /nfs/dbraw/zinc/70/07/04/366700704.db2.gz MWBFFPQHLQWCOH-UHTWSYAYSA-N 0 3 247.313 3.974 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H](F)C1)c1cc2ccccc2o1 ZINC000579040473 366700462 /nfs/dbraw/zinc/70/04/62/366700462.db2.gz MWBFFPQHLQWCOH-WCFLWFBJSA-N 0 3 247.313 3.974 20 0 BHADHN C[C@H](N[C@H]1CC[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000579150248 366726146 /nfs/dbraw/zinc/72/61/46/366726146.db2.gz KEYWDKYMUOWBDK-LWINAJNOSA-N 0 3 243.272 3.553 20 0 BHADHN C[C@H](N[C@@H]1CC[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000579150249 366725805 /nfs/dbraw/zinc/72/58/05/366725805.db2.gz KEYWDKYMUOWBDK-RGNHYFCHSA-N 0 3 243.272 3.553 20 0 BHADHN C[C@H](N[C@H]1CC[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000579150250 366726052 /nfs/dbraw/zinc/72/60/52/366726052.db2.gz KEYWDKYMUOWBDK-UBJUHAIHSA-N 0 3 243.272 3.553 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000579150251 366725450 /nfs/dbraw/zinc/72/54/50/366725450.db2.gz KEYWDKYMUOWBDK-YVZVNANGSA-N 0 3 243.272 3.553 20 0 BHADHN CCCc1nc(C)c(CN(CCC)C(C)C)o1 ZINC000579248268 366746021 /nfs/dbraw/zinc/74/60/21/366746021.db2.gz WHHFKGDAGZJTRE-UHFFFAOYSA-N 0 3 238.375 3.556 20 0 BHADHN CC(C)C1(N[C@@H](C)c2cccc(F)c2F)CC1 ZINC000579260720 366752528 /nfs/dbraw/zinc/75/25/28/366752528.db2.gz JOHIZZNMYHXERF-JTQLQIEISA-N 0 3 239.309 3.804 20 0 BHADHN CC(C)C1(N[C@H](C)c2cccc(F)c2F)CC1 ZINC000579260721 366752607 /nfs/dbraw/zinc/75/26/07/366752607.db2.gz JOHIZZNMYHXERF-SNVBAGLBSA-N 0 3 239.309 3.804 20 0 BHADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1cscn1 ZINC000579528810 366839431 /nfs/dbraw/zinc/83/94/31/366839431.db2.gz LABNHKBAFBGOSZ-AAEUAGOBSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1cscn1 ZINC000579528813 366839318 /nfs/dbraw/zinc/83/93/18/366839318.db2.gz LABNHKBAFBGOSZ-DGCLKSJQSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@H]1CCCC[C@H]1N(C)Cc1cscn1 ZINC000579528815 366841823 /nfs/dbraw/zinc/84/18/23/366841823.db2.gz LABNHKBAFBGOSZ-WCQYABFASA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1cscn1 ZINC000579528816 366841344 /nfs/dbraw/zinc/84/13/44/366841344.db2.gz LABNHKBAFBGOSZ-YPMHNXCESA-N 0 3 238.400 3.544 20 0 BHADHN CSc1ccc(CN(C)C(C)(C)C)s1 ZINC000579594143 366897260 /nfs/dbraw/zinc/89/72/60/366897260.db2.gz AWHAOCOKCLDTCM-UHFFFAOYSA-N 0 3 229.414 3.700 20 0 BHADHN CC(C)CN(C)Cc1cccc(F)c1Cl ZINC000579737530 366999749 /nfs/dbraw/zinc/99/97/49/366999749.db2.gz NHVMAHAVFLXFRH-UHFFFAOYSA-N 0 3 229.726 3.567 20 0 BHADHN CC[C@H](N[C@@H](C)c1cscn1)[C@H]1CC1(C)C ZINC000579812680 367018592 /nfs/dbraw/zinc/01/85/92/367018592.db2.gz WLWQQMVPXAUAEO-AXFHLTTASA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](N[C@@H](C)c1cscn1)[C@@H]1CC1(C)C ZINC000579812681 367017874 /nfs/dbraw/zinc/01/78/74/367017874.db2.gz WLWQQMVPXAUAEO-DCAQKATOSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](N[C@H](C)c1cscn1)[C@H]1CC1(C)C ZINC000579812682 367018683 /nfs/dbraw/zinc/01/86/83/367018683.db2.gz WLWQQMVPXAUAEO-MXWKQRLJSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@H](N[C@H](C)c1cscn1)[C@@H]1CC1(C)C ZINC000579812683 367018383 /nfs/dbraw/zinc/01/83/83/367018383.db2.gz WLWQQMVPXAUAEO-VWYCJHECSA-N 0 3 238.400 3.618 20 0 BHADHN CCCN(Cc1ccn(C2CCCC2)n1)C(C)C ZINC000579849830 367048885 /nfs/dbraw/zinc/04/88/85/367048885.db2.gz CZRRWOLTMRLUBN-UHFFFAOYSA-N 0 3 249.402 3.619 20 0 BHADHN F[C@@H]1CCC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000579951292 367098137 /nfs/dbraw/zinc/09/81/37/367098137.db2.gz BEEWJLOZGIPZDR-CHWSQXEVSA-N 0 3 247.313 3.803 20 0 BHADHN F[C@@H]1CCC[C@H](NCc2cc3ccccc3o2)C1 ZINC000579951293 367098604 /nfs/dbraw/zinc/09/86/04/367098604.db2.gz BEEWJLOZGIPZDR-OLZOCXBDSA-N 0 3 247.313 3.803 20 0 BHADHN F[C@H]1CCC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000579951294 367099103 /nfs/dbraw/zinc/09/91/03/367099103.db2.gz BEEWJLOZGIPZDR-QWHCGFSZSA-N 0 3 247.313 3.803 20 0 BHADHN F[C@H]1CCC[C@H](NCc2cc3ccccc3o2)C1 ZINC000579951295 367099063 /nfs/dbraw/zinc/09/90/63/367099063.db2.gz BEEWJLOZGIPZDR-STQMWFEESA-N 0 3 247.313 3.803 20 0 BHADHN CC(C)=CCN1CCC(C)=C(c2ccco2)C1 ZINC000579976518 367113084 /nfs/dbraw/zinc/11/30/84/367113084.db2.gz ROJCUCUVSFSBAX-UHFFFAOYSA-N 0 3 231.339 3.725 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CC[C@H]2C2CC2)o1 ZINC000579988536 411395314 /nfs/dbraw/zinc/39/53/14/411395314.db2.gz LEDYGDDYKCAUFW-KJEVXHAQSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC[C@@H]2C2CC2)o1 ZINC000579988537 411394963 /nfs/dbraw/zinc/39/49/63/411394963.db2.gz LEDYGDDYKCAUFW-QPKOPYBWSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CC[C@@H]2C2CC2)o1 ZINC000579988538 411395554 /nfs/dbraw/zinc/39/55/54/411395554.db2.gz LEDYGDDYKCAUFW-RABLLNBGSA-N 0 3 245.366 3.681 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC[C@H]2C2CC2)o1 ZINC000579988539 411394900 /nfs/dbraw/zinc/39/49/00/411394900.db2.gz LEDYGDDYKCAUFW-SDJAHQOYSA-N 0 3 245.366 3.681 20 0 BHADHN CCc1ccc(CN(C)[C@H](C)C(C)(C)C)nc1 ZINC000580221011 346720420 /nfs/dbraw/zinc/72/04/20/346720420.db2.gz ICFILFHZBRSVMO-GFCCVEGCSA-N 0 3 234.387 3.510 20 0 BHADHN CCc1ccc(CN(C)[C@@H](C)C(C)(C)C)nc1 ZINC000580221012 346720278 /nfs/dbraw/zinc/72/02/78/346720278.db2.gz ICFILFHZBRSVMO-LBPRGKRZSA-N 0 3 234.387 3.510 20 0 BHADHN CC(C)=CCN(C)Cc1ccc(F)cc1C ZINC000580253167 346798451 /nfs/dbraw/zinc/79/84/51/346798451.db2.gz QCBBSONCWVHQDF-UHFFFAOYSA-N 0 3 221.319 3.532 20 0 BHADHN CC[C@H](C)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000580280638 346841308 /nfs/dbraw/zinc/84/13/08/346841308.db2.gz OPNCCQBAFGOKAO-GWCFXTLKSA-N 0 3 223.747 3.885 20 0 BHADHN CC[C@H](C)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000580280639 346841435 /nfs/dbraw/zinc/84/14/35/346841435.db2.gz OPNCCQBAFGOKAO-GXFFZTMASA-N 0 3 223.747 3.885 20 0 BHADHN CC[C@@H](C)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000580280640 346841315 /nfs/dbraw/zinc/84/13/15/346841315.db2.gz OPNCCQBAFGOKAO-MFKMUULPSA-N 0 3 223.747 3.885 20 0 BHADHN CC[C@@H](C)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000580280641 346841157 /nfs/dbraw/zinc/84/11/57/346841157.db2.gz OPNCCQBAFGOKAO-ZWNOBZJWSA-N 0 3 223.747 3.885 20 0 BHADHN Cc1ccsc1CN1CCCc2occc2C1 ZINC000580379062 356437071 /nfs/dbraw/zinc/43/70/71/356437071.db2.gz KYEOHAGJOXOZRX-UHFFFAOYSA-N 0 3 247.363 3.598 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1sccc1OC ZINC000580442174 359551448 /nfs/dbraw/zinc/55/14/48/359551448.db2.gz FBASQTDUIDFYMP-LLVKDONJSA-N 0 3 241.400 3.767 20 0 BHADHN CCCC[C@H](C)N(C)Cc1sccc1OC ZINC000580442175 359551496 /nfs/dbraw/zinc/55/14/96/359551496.db2.gz FBASQTDUIDFYMP-NSHDSACASA-N 0 3 241.400 3.767 20 0 BHADHN C[C@@H](NC1CC(C)(C)C1)c1ccc(Cl)cn1 ZINC000580452457 359559367 /nfs/dbraw/zinc/55/93/67/359559367.db2.gz VQWIRNJHBMRWKQ-SECBINFHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](NC1CC(C)(C)C1)c1ccc(Cl)cn1 ZINC000580452458 359559588 /nfs/dbraw/zinc/55/95/88/359559588.db2.gz VQWIRNJHBMRWKQ-VIFPVBQESA-N 0 3 238.762 3.574 20 0 BHADHN CC[C@@H](N[C@H]1CCC[C@H]1F)c1cccc(F)c1 ZINC000580458240 359565819 /nfs/dbraw/zinc/56/58/19/359565819.db2.gz HLFDXADLZYJSSS-MCIONIFRSA-N 0 3 239.309 3.757 20 0 BHADHN CC(C)[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000580600182 365808051 /nfs/dbraw/zinc/80/80/51/365808051.db2.gz BAFGOSCFUBGZNJ-AVGNSLFASA-N 0 3 239.309 3.627 20 0 BHADHN CC(C)[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000580600183 365808187 /nfs/dbraw/zinc/80/81/87/365808187.db2.gz BAFGOSCFUBGZNJ-RWMBFGLXSA-N 0 3 239.309 3.627 20 0 BHADHN CC1=CC[C@@H](NCc2cc(F)ccc2F)CC1 ZINC000580908218 367203948 /nfs/dbraw/zinc/20/39/48/367203948.db2.gz VANNNHUFJALXLX-CYBMUJFWSA-N 0 3 237.293 3.553 20 0 BHADHN CC1=CC[C@H](NCc2cc(F)ccc2F)CC1 ZINC000580908219 367203464 /nfs/dbraw/zinc/20/34/64/367203464.db2.gz VANNNHUFJALXLX-ZDUSSCGKSA-N 0 3 237.293 3.553 20 0 BHADHN CC(C)CCCN1CCC=C(c2ccccn2)C1 ZINC000580960570 367217934 /nfs/dbraw/zinc/21/79/34/367217934.db2.gz RBEOETRJRIRLTK-UHFFFAOYSA-N 0 3 244.382 3.607 20 0 BHADHN C[C@@H](NC1(CF)CCC1)[C@@H](C)c1ccccc1 ZINC000581012674 355842589 /nfs/dbraw/zinc/84/25/89/355842589.db2.gz LEWXDLABCJGCLR-CHWSQXEVSA-N 0 3 235.346 3.660 20 0 BHADHN C[C@H](NC1(CF)CCC1)[C@@H](C)c1ccccc1 ZINC000581012678 355842302 /nfs/dbraw/zinc/84/23/02/355842302.db2.gz LEWXDLABCJGCLR-OLZOCXBDSA-N 0 3 235.346 3.660 20 0 BHADHN C[C@@H](NC1(CF)CCC1)[C@H](C)c1ccccc1 ZINC000581012681 355842333 /nfs/dbraw/zinc/84/23/33/355842333.db2.gz LEWXDLABCJGCLR-QWHCGFSZSA-N 0 3 235.346 3.660 20 0 BHADHN C[C@H](c1ccccc1)[C@H](C)NC1(CF)CCC1 ZINC000581012683 355842426 /nfs/dbraw/zinc/84/24/26/355842426.db2.gz LEWXDLABCJGCLR-STQMWFEESA-N 0 3 235.346 3.660 20 0 BHADHN Cc1cccc(CN2CCC3(CCCC3)CC2)n1 ZINC000581039165 367243025 /nfs/dbraw/zinc/24/30/25/367243025.db2.gz PAQAQFHTNAJMME-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN CC[C@@H]1CCN(Cc2sccc2Cl)C1 ZINC000581144665 367277634 /nfs/dbraw/zinc/27/76/34/367277634.db2.gz RJUTZANIAKHENP-SECBINFHSA-N 0 3 229.776 3.633 20 0 BHADHN CC[C@H]1CCN(Cc2sccc2Cl)C1 ZINC000581144667 367277286 /nfs/dbraw/zinc/27/72/86/367277286.db2.gz RJUTZANIAKHENP-VIFPVBQESA-N 0 3 229.776 3.633 20 0 BHADHN Cc1cccc(CN[C@@H]2CCC[C@@H](F)C2)c1F ZINC000581250437 367309531 /nfs/dbraw/zinc/30/95/31/367309531.db2.gz GWPCBDAJFVRJBV-CHWSQXEVSA-N 0 3 239.309 3.504 20 0 BHADHN Cc1cccc(CN[C@H]2CCC[C@@H](F)C2)c1F ZINC000581250443 367309218 /nfs/dbraw/zinc/30/92/18/367309218.db2.gz GWPCBDAJFVRJBV-OLZOCXBDSA-N 0 3 239.309 3.504 20 0 BHADHN Cc1cccc(CN[C@@H]2CCC[C@H](F)C2)c1F ZINC000581250444 367309467 /nfs/dbraw/zinc/30/94/67/367309467.db2.gz GWPCBDAJFVRJBV-QWHCGFSZSA-N 0 3 239.309 3.504 20 0 BHADHN Cc1cccc(CN[C@H]2CCC[C@H](F)C2)c1F ZINC000581250446 367309618 /nfs/dbraw/zinc/30/96/18/367309618.db2.gz GWPCBDAJFVRJBV-STQMWFEESA-N 0 3 239.309 3.504 20 0 BHADHN CCCC[C@H](C)N(C)Cc1ccc(Cl)o1 ZINC000581411877 367451705 /nfs/dbraw/zinc/45/17/05/367451705.db2.gz XSQJIGHSACUCJJ-JTQLQIEISA-N 0 3 229.751 3.944 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1ccc(Cl)o1 ZINC000581411878 367451736 /nfs/dbraw/zinc/45/17/36/367451736.db2.gz XSQJIGHSACUCJJ-SNVBAGLBSA-N 0 3 229.751 3.944 20 0 BHADHN C[C@@H]1CN(CCCc2ccccc2Cl)[C@H]1C ZINC000581477148 367511163 /nfs/dbraw/zinc/51/11/63/367511163.db2.gz XEYLUHKPLXRXSJ-NEPJUHHUSA-N 0 3 237.774 3.613 20 0 BHADHN C[C@@H]1[C@@H](C)CN1CCCc1ccccc1Cl ZINC000581477149 367510973 /nfs/dbraw/zinc/51/09/73/367510973.db2.gz XEYLUHKPLXRXSJ-NWDGAFQWSA-N 0 3 237.774 3.613 20 0 BHADHN C[C@H]1CN(CCCc2ccccc2Cl)[C@H]1C ZINC000581477150 367511036 /nfs/dbraw/zinc/51/10/36/367511036.db2.gz XEYLUHKPLXRXSJ-RYUDHWBXSA-N 0 3 237.774 3.613 20 0 BHADHN C[C@@H]1CN(CCCc2ccccc2Cl)[C@@H]1C ZINC000581477151 367510664 /nfs/dbraw/zinc/51/06/64/367510664.db2.gz XEYLUHKPLXRXSJ-VXGBXAGGSA-N 0 3 237.774 3.613 20 0 BHADHN CC(C)(C)CN1CCC(CC(F)(F)F)CC1 ZINC000581539327 367559298 /nfs/dbraw/zinc/55/92/98/367559298.db2.gz MWXUAODVLSDURU-UHFFFAOYSA-N 0 3 237.309 3.697 20 0 BHADHN CCc1cccc(CN[C@@H](C)CC(F)(F)F)c1 ZINC000581552484 367586062 /nfs/dbraw/zinc/58/60/62/367586062.db2.gz AXAPJMWWLAPAJW-JTQLQIEISA-N 0 3 245.288 3.680 20 0 BHADHN CCc1cccc(CN[C@H](C)CC(F)(F)F)c1 ZINC000581552485 367585473 /nfs/dbraw/zinc/58/54/73/367585473.db2.gz AXAPJMWWLAPAJW-SNVBAGLBSA-N 0 3 245.288 3.680 20 0 BHADHN CCc1ccc(CN2CCCCC(C)(C)C2)nc1 ZINC000581620865 367639227 /nfs/dbraw/zinc/63/92/27/367639227.db2.gz QMDGSEMIFZQEMO-UHFFFAOYSA-N 0 3 246.398 3.656 20 0 BHADHN CCCN(Cc1ccc(SC)s1)C1CC1 ZINC000581639559 367644901 /nfs/dbraw/zinc/64/49/01/367644901.db2.gz VEAPTUDKANQCDR-UHFFFAOYSA-N 0 3 241.425 3.844 20 0 BHADHN CC1(CN2CC(C)(C)[C@H]2c2cccs2)CC1 ZINC000581694174 367715616 /nfs/dbraw/zinc/71/56/16/367715616.db2.gz GQDSSPJJPPRLMX-GFCCVEGCSA-N 0 3 235.396 3.931 20 0 BHADHN CC1(CN2CC(C)(C)[C@@H]2c2cccs2)CC1 ZINC000581694175 367715583 /nfs/dbraw/zinc/71/55/83/367715583.db2.gz GQDSSPJJPPRLMX-LBPRGKRZSA-N 0 3 235.396 3.931 20 0 BHADHN CCc1cccc(CNCc2cccs2)c1 ZINC000581730800 367795124 /nfs/dbraw/zinc/79/51/24/367795124.db2.gz VZUMDFCWLFQXMB-UHFFFAOYSA-N 0 3 231.364 3.600 20 0 BHADHN CSc1ccc(CN2CCC(C)CC2)s1 ZINC000581855573 367843886 /nfs/dbraw/zinc/84/38/86/367843886.db2.gz CNIFFVVPJHCFLV-UHFFFAOYSA-N 0 3 241.425 3.702 20 0 BHADHN FCC1(NCc2cc3ccccc3s2)CCC1 ZINC000581883836 342867246 /nfs/dbraw/zinc/86/72/46/342867246.db2.gz CRQCHXNRBSAFKQ-UHFFFAOYSA-N 0 3 249.354 3.883 20 0 BHADHN CCc1ncc(CN(CC)C(CC)CC)s1 ZINC000582089967 347201412 /nfs/dbraw/zinc/20/14/12/347201412.db2.gz FOOCDLQNDOQHHD-UHFFFAOYSA-N 0 3 240.416 3.716 20 0 BHADHN CC[C@@H](F)CN1CCc2ccccc2C1(C)C ZINC000582465280 357289352 /nfs/dbraw/zinc/28/93/52/357289352.db2.gz ZXWUJCQYEXNAJG-CYBMUJFWSA-N 0 3 235.346 3.528 20 0 BHADHN CC[C@H](F)CN1CCc2ccccc2C1(C)C ZINC000582465281 357289662 /nfs/dbraw/zinc/28/96/62/357289662.db2.gz ZXWUJCQYEXNAJG-ZDUSSCGKSA-N 0 3 235.346 3.528 20 0 BHADHN CC(C)COc1ccccc1CN(C)CC(C)C ZINC000582534352 357336623 /nfs/dbraw/zinc/33/66/23/357336623.db2.gz OSUWKGKLLNVYOJ-UHFFFAOYSA-N 0 3 249.398 3.809 20 0 BHADHN COc1cc(Cl)ccc1CN(C)C(C)(C)C ZINC000582664103 357357249 /nfs/dbraw/zinc/35/72/49/357357249.db2.gz ZHRFPGRFAAUKHG-UHFFFAOYSA-N 0 3 241.762 3.579 20 0 BHADHN CCCc1ncc(CN[C@H](C)C(C)(C)CC)o1 ZINC000582707954 357375937 /nfs/dbraw/zinc/37/59/37/357375937.db2.gz ABYPXCQLXLDING-LLVKDONJSA-N 0 3 238.375 3.541 20 0 BHADHN CCCc1ncc(CN[C@@H](C)C(C)(C)CC)o1 ZINC000582707958 357375925 /nfs/dbraw/zinc/37/59/25/357375925.db2.gz ABYPXCQLXLDING-NSHDSACASA-N 0 3 238.375 3.541 20 0 BHADHN CCN(Cc1ccc(Cl)cn1)CC(C)(C)C ZINC000582777230 398045393 /nfs/dbraw/zinc/04/53/93/398045393.db2.gz CGRQBRQCPRESIM-UHFFFAOYSA-N 0 3 240.778 3.603 20 0 BHADHN c1cc(CNC2CCC3(CCCCC3)CC2)on1 ZINC000582785583 357393259 /nfs/dbraw/zinc/39/32/59/357393259.db2.gz HTEUMLGVRMEUDL-UHFFFAOYSA-N 0 3 248.370 3.657 20 0 BHADHN Cc1ccc(CN(C)[C@H](C)C2CC2)c(Cl)c1 ZINC000582944148 357442602 /nfs/dbraw/zinc/44/26/02/357442602.db2.gz OCXJRMJZKJJNOL-LLVKDONJSA-N 0 3 237.774 3.879 20 0 BHADHN Cc1ccc(CN(C)[C@@H](C)C2CC2)c(Cl)c1 ZINC000582944152 357442500 /nfs/dbraw/zinc/44/25/00/357442500.db2.gz OCXJRMJZKJJNOL-NSHDSACASA-N 0 3 237.774 3.879 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2F)cc1C ZINC000583028729 357463286 /nfs/dbraw/zinc/46/32/86/357463286.db2.gz TZAGFIQVIZJWNG-AEGPPILISA-N 0 3 235.346 3.845 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)cc1C ZINC000583028734 357463476 /nfs/dbraw/zinc/46/34/76/357463476.db2.gz TZAGFIQVIZJWNG-VHDGCEQUSA-N 0 3 235.346 3.845 20 0 BHADHN CC[C@@H]1CCC[C@@H]1CN[C@H](C)c1cscn1 ZINC000583126010 357480401 /nfs/dbraw/zinc/48/04/01/357480401.db2.gz SAIQTHBNPNGLED-IJLUTSLNSA-N 0 3 238.400 3.620 20 0 BHADHN CC[C@@H]1CCC[C@@H]1CN[C@@H](C)c1cscn1 ZINC000583126011 357480516 /nfs/dbraw/zinc/48/05/16/357480516.db2.gz SAIQTHBNPNGLED-QJPTWQEYSA-N 0 3 238.400 3.620 20 0 BHADHN CC[C@@H]1CCC[C@H]1CN[C@@H](C)c1cscn1 ZINC000583126012 357480256 /nfs/dbraw/zinc/48/02/56/357480256.db2.gz SAIQTHBNPNGLED-TUAOUCFPSA-N 0 3 238.400 3.620 20 0 BHADHN CC[C@@H]1CCC[C@H]1CN[C@H](C)c1cscn1 ZINC000583126013 357480503 /nfs/dbraw/zinc/48/05/03/357480503.db2.gz SAIQTHBNPNGLED-UTUOFQBUSA-N 0 3 238.400 3.620 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CN(C)C(C)(C)C)o1 ZINC000583145509 357494350 /nfs/dbraw/zinc/49/43/50/357494350.db2.gz JKWWSRWLJWGQCO-CMPLNLGQSA-N 0 3 221.344 3.633 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CN(C)C(C)(C)C)o1 ZINC000583145510 357494925 /nfs/dbraw/zinc/49/49/25/357494925.db2.gz JKWWSRWLJWGQCO-JQWIXIFHSA-N 0 3 221.344 3.633 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(C)(C)C)o1 ZINC000583145511 357494568 /nfs/dbraw/zinc/49/45/68/357494568.db2.gz JKWWSRWLJWGQCO-PWSUYJOCSA-N 0 3 221.344 3.633 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CN(C)C(C)(C)C)o1 ZINC000583145512 357494946 /nfs/dbraw/zinc/49/49/46/357494946.db2.gz JKWWSRWLJWGQCO-ZYHUDNBSSA-N 0 3 221.344 3.633 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@H]1CCC(C)(C)C1)CO2 ZINC000583169048 357500412 /nfs/dbraw/zinc/50/04/12/357500412.db2.gz ZBKFNEZAZZMRBX-GXTWGEPZSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@H]1CCC(C)(C)C1)CO2 ZINC000583169049 357500297 /nfs/dbraw/zinc/50/02/97/357500297.db2.gz ZBKFNEZAZZMRBX-JSGCOSHPSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC(C)(C)C1)CO2 ZINC000583169050 357500398 /nfs/dbraw/zinc/50/03/98/357500398.db2.gz ZBKFNEZAZZMRBX-OCCSQVGLSA-N 0 3 245.366 3.597 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCC(C)(C)C1)CO2 ZINC000583169051 357500111 /nfs/dbraw/zinc/50/01/11/357500111.db2.gz ZBKFNEZAZZMRBX-TZMCWYRMSA-N 0 3 245.366 3.597 20 0 BHADHN CN(Cc1ccco1)[C@@H]1C=CCCCCC1 ZINC000583217141 357587246 /nfs/dbraw/zinc/58/72/46/357587246.db2.gz NQNNXGWWYIDTBS-CYBMUJFWSA-N 0 3 219.328 3.600 20 0 BHADHN CN(Cc1ccco1)[C@H]1C=CCCCCC1 ZINC000583217142 357587265 /nfs/dbraw/zinc/58/72/65/357587265.db2.gz NQNNXGWWYIDTBS-ZDUSSCGKSA-N 0 3 219.328 3.600 20 0 BHADHN Cc1cccc(CC[C@H](C)NC2(CF)CCC2)c1 ZINC000583264160 357743078 /nfs/dbraw/zinc/74/30/78/357743078.db2.gz MRQPZUJRJHXFGC-AWEZNQCLSA-N 0 3 249.373 3.798 20 0 BHADHN Cc1cccc(CC[C@@H](C)NC2(CF)CCC2)c1 ZINC000583264164 357742622 /nfs/dbraw/zinc/74/26/22/357742622.db2.gz MRQPZUJRJHXFGC-CQSZACIVSA-N 0 3 249.373 3.798 20 0 BHADHN CC[C@H]1CCCN1Cc1ccc(SC)s1 ZINC000583353547 344747630 /nfs/dbraw/zinc/74/76/30/344747630.db2.gz VMYLIEFHYVXGIO-JTQLQIEISA-N 0 3 241.425 3.844 20 0 BHADHN CC[C@@H]1CCCN1Cc1ccc(SC)s1 ZINC000583353548 344747679 /nfs/dbraw/zinc/74/76/79/344747679.db2.gz VMYLIEFHYVXGIO-SNVBAGLBSA-N 0 3 241.425 3.844 20 0 BHADHN CCc1nc(C(C)C)ccc1CN(CC)C(C)C ZINC000583394091 344882078 /nfs/dbraw/zinc/88/20/78/344882078.db2.gz KRLGZCWOWMVLPB-UHFFFAOYSA-N 0 3 248.414 3.998 20 0 BHADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(Cl)o1 ZINC000583468405 349230037 /nfs/dbraw/zinc/23/00/37/349230037.db2.gz UBYVVZFQRBEEBB-NXEZZACHSA-N 0 3 227.735 3.696 20 0 BHADHN CC[C@H]1CC[C@H](C)N1Cc1ccc(Cl)o1 ZINC000583468406 349229687 /nfs/dbraw/zinc/22/96/87/349229687.db2.gz UBYVVZFQRBEEBB-UWVGGRQHSA-N 0 3 227.735 3.696 20 0 BHADHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(Cl)o1 ZINC000583468407 349229584 /nfs/dbraw/zinc/22/95/84/349229584.db2.gz UBYVVZFQRBEEBB-VHSXEESVSA-N 0 3 227.735 3.696 20 0 BHADHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(Cl)o1 ZINC000583468408 349229824 /nfs/dbraw/zinc/22/98/24/349229824.db2.gz UBYVVZFQRBEEBB-ZJUUUORDSA-N 0 3 227.735 3.696 20 0 BHADHN CCC[C@H](NCc1cocn1)C1CCCCC1 ZINC000583517559 355384011 /nfs/dbraw/zinc/38/40/11/355384011.db2.gz CGXBROIRPHIJBR-AWEZNQCLSA-N 0 3 236.359 3.513 20 0 BHADHN CCC[C@@H](NCc1cocn1)C1CCCCC1 ZINC000583517560 355384138 /nfs/dbraw/zinc/38/41/38/355384138.db2.gz CGXBROIRPHIJBR-CQSZACIVSA-N 0 3 236.359 3.513 20 0 BHADHN CCCN(Cc1cccc(C(C)=O)c1)C(C)C ZINC000583573343 355655718 /nfs/dbraw/zinc/65/57/18/355655718.db2.gz QZCDEYXFTSBWJQ-UHFFFAOYSA-N 0 3 233.355 3.510 20 0 BHADHN CC(C)COc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1 ZINC000583599335 355719849 /nfs/dbraw/zinc/71/98/49/355719849.db2.gz KAROGFUWKPBPFJ-KBPBESRZSA-N 0 3 247.382 3.704 20 0 BHADHN CC(C)COc1ccc(CN2[C@H](C)C[C@@H]2C)cc1 ZINC000583599336 355719659 /nfs/dbraw/zinc/71/96/59/355719659.db2.gz KAROGFUWKPBPFJ-OKILXGFUSA-N 0 3 247.382 3.704 20 0 BHADHN CC(C)COc1ccc(CN2[C@H](C)C[C@H]2C)cc1 ZINC000583599337 355719961 /nfs/dbraw/zinc/71/99/61/355719961.db2.gz KAROGFUWKPBPFJ-ZIAGYGMSSA-N 0 3 247.382 3.704 20 0 BHADHN CCCOc1ccc(CN2CCC=C(C)C2)cc1 ZINC000583602849 355729477 /nfs/dbraw/zinc/72/94/77/355729477.db2.gz AKKIFYPQLJRXJN-UHFFFAOYSA-N 0 3 245.366 3.627 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H](C)CCC(C)(C)C)no1 ZINC000583617056 355833508 /nfs/dbraw/zinc/83/35/08/355833508.db2.gz LSNOUUSKZUMJIK-CMPLNLGQSA-N 0 3 238.375 3.848 20 0 BHADHN Cc1cc([C@H](C)N[C@@H](C)CCC(C)(C)C)no1 ZINC000583617057 355833201 /nfs/dbraw/zinc/83/32/01/355833201.db2.gz LSNOUUSKZUMJIK-JQWIXIFHSA-N 0 3 238.375 3.848 20 0 BHADHN Cc1cc([C@H](C)N[C@H](C)CCC(C)(C)C)no1 ZINC000583617058 355833389 /nfs/dbraw/zinc/83/33/89/355833389.db2.gz LSNOUUSKZUMJIK-PWSUYJOCSA-N 0 3 238.375 3.848 20 0 BHADHN Cc1cc([C@@H](C)N[C@H](C)CCC(C)(C)C)no1 ZINC000583617059 355833302 /nfs/dbraw/zinc/83/33/02/355833302.db2.gz LSNOUUSKZUMJIK-ZYHUDNBSSA-N 0 3 238.375 3.848 20 0 BHADHN C[C@H](Cc1ccsc1)N1CC2(C1)CCCC2 ZINC000583738706 357930628 /nfs/dbraw/zinc/93/06/28/357930628.db2.gz QNNRLJYCPUULGS-GFCCVEGCSA-N 0 3 235.396 3.555 20 0 BHADHN C[C@@H](Cc1ccsc1)N1CC2(C1)CCCC2 ZINC000583738707 357930614 /nfs/dbraw/zinc/93/06/14/357930614.db2.gz QNNRLJYCPUULGS-LBPRGKRZSA-N 0 3 235.396 3.555 20 0 BHADHN CCC1CC(N[C@H](C)c2c(F)cccc2F)C1 ZINC000583768140 357943439 /nfs/dbraw/zinc/94/34/39/357943439.db2.gz LNIYOVUYLKCMSH-KPPDAEKUSA-N 0 3 239.309 3.804 20 0 BHADHN CCC1CC(N[C@@H](C)c2c(F)cccc2F)C1 ZINC000583768141 357943742 /nfs/dbraw/zinc/94/37/42/357943742.db2.gz LNIYOVUYLKCMSH-WHXUTIOJSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H](N[C@H](C)C(C)(C)C)c1ccncc1Cl ZINC000583876801 358089162 /nfs/dbraw/zinc/08/91/62/358089162.db2.gz HDYOIQBBJSPSTF-NXEZZACHSA-N 0 3 240.778 3.820 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccncc1Cl)C(C)(C)C ZINC000583876802 358089291 /nfs/dbraw/zinc/08/92/91/358089291.db2.gz HDYOIQBBJSPSTF-VHSXEESVSA-N 0 3 240.778 3.820 20 0 BHADHN CSc1ccc(CN2CCC(C)(C)C2)s1 ZINC000583903982 358227424 /nfs/dbraw/zinc/22/74/24/358227424.db2.gz VXYYWSXJXZQIGS-UHFFFAOYSA-N 0 3 241.425 3.702 20 0 BHADHN CC1(CN2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000583975148 342800891 /nfs/dbraw/zinc/80/08/91/342800891.db2.gz XFFCKVIPBIDJSC-CYBMUJFWSA-N 0 3 231.339 3.607 20 0 BHADHN CC1(CN2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000583975149 342800810 /nfs/dbraw/zinc/80/08/10/342800810.db2.gz XFFCKVIPBIDJSC-ZDUSSCGKSA-N 0 3 231.339 3.607 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1occc1C ZINC000584035620 343296319 /nfs/dbraw/zinc/29/63/19/343296319.db2.gz QTRDXZYMHZIMAA-LLVKDONJSA-N 0 3 209.333 3.502 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1occc1C ZINC000584035621 343295947 /nfs/dbraw/zinc/29/59/47/343295947.db2.gz QTRDXZYMHZIMAA-NSHDSACASA-N 0 3 209.333 3.502 20 0 BHADHN CC1(C)CCC(CN2CC(C(F)(F)F)C2)CC1 ZINC000584140206 343764731 /nfs/dbraw/zinc/76/47/31/343764731.db2.gz XPOARSXLOSEKJR-UHFFFAOYSA-N 0 3 249.320 3.697 20 0 BHADHN CC1(C)C[C@H](N[C@H]2CCC[C@H]2F)c2ccccc21 ZINC000584581221 358094947 /nfs/dbraw/zinc/09/49/47/358094947.db2.gz GEDQYIMFSRHRLF-ILXRZTDVSA-N 0 3 247.357 3.889 20 0 BHADHN CC1(C)C[C@@H](N[C@H]2CCC[C@H]2F)c2ccccc21 ZINC000584581222 358095333 /nfs/dbraw/zinc/09/53/33/358095333.db2.gz GEDQYIMFSRHRLF-QLFBSQMISA-N 0 3 247.357 3.889 20 0 BHADHN Cc1ccc(F)c(CN[C@@H]2CCC[C@@H](F)C2)c1 ZINC000584590073 358103761 /nfs/dbraw/zinc/10/37/61/358103761.db2.gz JTUJJWBREWTUAT-CHWSQXEVSA-N 0 3 239.309 3.504 20 0 BHADHN Cc1ccc(F)c(CN[C@H]2CCC[C@@H](F)C2)c1 ZINC000584590074 358103962 /nfs/dbraw/zinc/10/39/62/358103962.db2.gz JTUJJWBREWTUAT-OLZOCXBDSA-N 0 3 239.309 3.504 20 0 BHADHN Cc1ccc(F)c(CN[C@@H]2CCC[C@H](F)C2)c1 ZINC000584590075 358094615 /nfs/dbraw/zinc/09/46/15/358094615.db2.gz JTUJJWBREWTUAT-QWHCGFSZSA-N 0 3 239.309 3.504 20 0 BHADHN Cc1ccc(F)c(CN[C@H]2CCC[C@H](F)C2)c1 ZINC000584590076 358094506 /nfs/dbraw/zinc/09/45/06/358094506.db2.gz JTUJJWBREWTUAT-STQMWFEESA-N 0 3 239.309 3.504 20 0 BHADHN CSc1ccc(CN2CCCCCC2)s1 ZINC000584693889 358153319 /nfs/dbraw/zinc/15/33/19/358153319.db2.gz ZNDGGQNKBVFYIP-UHFFFAOYSA-N 0 3 241.425 3.846 20 0 BHADHN CSc1ccc(CN2CC[C@@H]2C(C)C)s1 ZINC000584752086 358168941 /nfs/dbraw/zinc/16/89/41/358168941.db2.gz LJNPJICRZDMSOL-LLVKDONJSA-N 0 3 241.425 3.700 20 0 BHADHN CSc1ccc(CN2CC[C@H]2C(C)C)s1 ZINC000584752094 358168813 /nfs/dbraw/zinc/16/88/13/358168813.db2.gz LJNPJICRZDMSOL-NSHDSACASA-N 0 3 241.425 3.700 20 0 BHADHN CCN(Cc1ccoc1)Cc1cc(C)ccc1C ZINC000588169219 346645000 /nfs/dbraw/zinc/64/50/00/346645000.db2.gz HZIMXFXPACPVTC-UHFFFAOYSA-N 0 3 243.350 3.919 20 0 BHADHN CCN(CCCc1ccccc1)Cc1ccoc1 ZINC000588169223 346644758 /nfs/dbraw/zinc/64/47/58/346644758.db2.gz IGRMDFOKUPDIKS-UHFFFAOYSA-N 0 3 243.350 3.734 20 0 BHADHN CCN(Cc1ccoc1)Cc1ccccc1C ZINC000588169374 346645032 /nfs/dbraw/zinc/64/50/32/346645032.db2.gz WNLBQRWAKVNYHX-UHFFFAOYSA-N 0 3 229.323 3.610 20 0 BHADHN C/C(=C/c1ccccc1)CNCc1ccsc1 ZINC000588177614 346642779 /nfs/dbraw/zinc/64/27/79/346642779.db2.gz KUIYBBDWJQLPKI-LCYFTJDESA-N 0 3 243.375 3.941 20 0 BHADHN C/C(=C\c1ccccc1)CNCc1ccsc1 ZINC000588177615 346642367 /nfs/dbraw/zinc/64/23/67/346642367.db2.gz KUIYBBDWJQLPKI-UKTHLTGXSA-N 0 3 243.375 3.941 20 0 BHADHN C/C(=C\c1ccccc1)CNCc1ccoc1C ZINC000588178393 346642961 /nfs/dbraw/zinc/64/29/61/346642961.db2.gz KDYHVOPXTLVLKQ-JLHYYAGUSA-N 0 3 241.334 3.781 20 0 BHADHN C/C(=C/c1ccccc1)CNCc1ccoc1C ZINC000588178394 346643208 /nfs/dbraw/zinc/64/32/08/346643208.db2.gz KDYHVOPXTLVLKQ-RAXLEYEMSA-N 0 3 241.334 3.781 20 0 BHADHN CCN(Cc1ccoc1)Cc1cc(C)cc(C)c1 ZINC000588236570 346648511 /nfs/dbraw/zinc/64/85/11/346648511.db2.gz IQGKXBMEKAJWIW-UHFFFAOYSA-N 0 3 243.350 3.919 20 0 BHADHN CC(C)Oc1ccccc1CN(C)CC(C)(C)C ZINC000588901055 344197976 /nfs/dbraw/zinc/19/79/76/344197976.db2.gz NDEIJVVWUMAABB-UHFFFAOYSA-N 0 3 249.398 3.952 20 0 BHADHN CN(Cc1ccccc1Cl)CC(C)(C)C ZINC000588902861 344198619 /nfs/dbraw/zinc/19/86/19/344198619.db2.gz FIPWTJZIUMMFHT-UHFFFAOYSA-N 0 3 225.763 3.818 20 0 BHADHN CC1(C)CCN(Cc2ccccc2Cl)CC1 ZINC000588903781 344198728 /nfs/dbraw/zinc/19/87/28/344198728.db2.gz LFVIXRYPMZRCSN-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN CC1(C)CCN(Cc2ccc(Cl)cc2)CC1 ZINC000588904050 344198713 /nfs/dbraw/zinc/19/87/13/344198713.db2.gz NIWBZHIBACNJDA-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN CC1(C)CCN(Cc2cccc(Cl)c2)CC1 ZINC000588904543 344199245 /nfs/dbraw/zinc/19/92/45/344199245.db2.gz FDIJARSSTXEPKP-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN CCN(CC=C(C)C)Cc1cccc(F)c1 ZINC000589260213 346681190 /nfs/dbraw/zinc/68/11/90/346681190.db2.gz CIQZZMHHFNGHGQ-UHFFFAOYSA-N 0 3 221.319 3.614 20 0 BHADHN CSC1(CN2C3CCCC2CCC3)CCC1 ZINC000589503701 346708581 /nfs/dbraw/zinc/70/85/81/346708581.db2.gz YLZCMPAJYUTIRQ-UHFFFAOYSA-N 0 3 239.428 3.679 20 0 BHADHN c1ccc(CNCc2ccc3cccnc3c2)cc1 ZINC000589636084 346720861 /nfs/dbraw/zinc/72/08/61/346720861.db2.gz GRXIYCUOEOJEHB-UHFFFAOYSA-N 0 3 248.329 3.525 20 0 BHADHN CCCc1ccc(CNCc2ccsc2)cc1 ZINC000589834062 346741590 /nfs/dbraw/zinc/74/15/90/346741590.db2.gz SXJWJZLFNBDAKF-UHFFFAOYSA-N 0 3 245.391 3.990 20 0 BHADHN CC[C@@H]1CCCN1Cc1ccccc1Cl ZINC000590062088 346769984 /nfs/dbraw/zinc/76/99/84/346769984.db2.gz RILOKKSKASKETM-GFCCVEGCSA-N 0 3 223.747 3.714 20 0 BHADHN CC[C@H]1CCCN1Cc1ccccc1Cl ZINC000590062092 346769847 /nfs/dbraw/zinc/76/98/47/346769847.db2.gz RILOKKSKASKETM-LBPRGKRZSA-N 0 3 223.747 3.714 20 0 BHADHN CC[C@@H]1CCCN1Cc1cccc(Cl)c1 ZINC000590062094 346769820 /nfs/dbraw/zinc/76/98/20/346769820.db2.gz RZXDYPFTOALNLM-CYBMUJFWSA-N 0 3 223.747 3.714 20 0 BHADHN CC[C@H]1CCCN1Cc1cccc(Cl)c1 ZINC000590062096 346769966 /nfs/dbraw/zinc/76/99/66/346769966.db2.gz RZXDYPFTOALNLM-ZDUSSCGKSA-N 0 3 223.747 3.714 20 0 BHADHN COc1ccccc1[C@@H]1CCCN1CC=C(C)C ZINC000590064063 346769061 /nfs/dbraw/zinc/76/90/61/346769061.db2.gz JKDXLEVUEBLBRW-HNNXBMFYSA-N 0 3 245.366 3.798 20 0 BHADHN COc1ccccc1[C@H]1CCCN1CC=C(C)C ZINC000590064066 346769014 /nfs/dbraw/zinc/76/90/14/346769014.db2.gz JKDXLEVUEBLBRW-OAHLLOKOSA-N 0 3 245.366 3.798 20 0 BHADHN Cc1ccc(CN(C)Cc2ccc(C)cc2)s1 ZINC000590295384 346939822 /nfs/dbraw/zinc/93/98/22/346939822.db2.gz OPNMMJSSGGZDJZ-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CCN(Cc1cccc(F)c1)[C@H]1C=CCCC1 ZINC000590400484 347088080 /nfs/dbraw/zinc/08/80/80/347088080.db2.gz GUJOSULHUHNXCG-HNNXBMFYSA-N 0 3 233.330 3.756 20 0 BHADHN CCN(Cc1cccc(F)c1)[C@@H]1C=CCCC1 ZINC000590400498 347084874 /nfs/dbraw/zinc/08/48/74/347084874.db2.gz GUJOSULHUHNXCG-OAHLLOKOSA-N 0 3 233.330 3.756 20 0 BHADHN CN(Cc1cccc(Cl)c1)[C@H]1C=CCCC1 ZINC000590400727 347085599 /nfs/dbraw/zinc/08/55/99/347085599.db2.gz OJBUFBVCLXXGTR-AWEZNQCLSA-N 0 3 235.758 3.881 20 0 BHADHN CN(Cc1cccc(Cl)c1)[C@@H]1C=CCCC1 ZINC000590400728 347085543 /nfs/dbraw/zinc/08/55/43/347085543.db2.gz OJBUFBVCLXXGTR-CQSZACIVSA-N 0 3 235.758 3.881 20 0 BHADHN Clc1ccc(CN2CCC[C@@H]2C2CC2)s1 ZINC000590789090 347558848 /nfs/dbraw/zinc/55/88/48/347558848.db2.gz PLTKOIDNZHYXTM-LLVKDONJSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1ccc(CN2CCC[C@H]2C2CC2)s1 ZINC000590789093 347559017 /nfs/dbraw/zinc/55/90/17/347559017.db2.gz PLTKOIDNZHYXTM-NSHDSACASA-N 0 3 241.787 3.776 20 0 BHADHN Clc1ccc(CN2CCC[C@H]2C2CC2)cc1 ZINC000590789588 347558636 /nfs/dbraw/zinc/55/86/36/347558636.db2.gz CLCUNMGPVIDZQV-AWEZNQCLSA-N 0 3 235.758 3.714 20 0 BHADHN Clc1ccc(CN2CCC[C@@H]2C2CC2)cc1 ZINC000590789589 347558930 /nfs/dbraw/zinc/55/89/30/347558930.db2.gz CLCUNMGPVIDZQV-CQSZACIVSA-N 0 3 235.758 3.714 20 0 BHADHN CC(C)=CCNC1(c2ccc(F)cc2)CCC1 ZINC000591376072 347650689 /nfs/dbraw/zinc/65/06/89/347650689.db2.gz PERDHLYXUWYYHU-UHFFFAOYSA-N 0 3 233.330 3.761 20 0 BHADHN c1cc(CN[C@@H](c2ccccc2)C2CCC2)co1 ZINC000591699477 347690177 /nfs/dbraw/zinc/69/01/77/347690177.db2.gz VGILJNWAQORYDK-INIZCTEOSA-N 0 3 241.334 3.911 20 0 BHADHN c1cc(CN[C@H](c2ccccc2)C2CCC2)co1 ZINC000591699479 347690341 /nfs/dbraw/zinc/69/03/41/347690341.db2.gz VGILJNWAQORYDK-MRXNPFEDSA-N 0 3 241.334 3.911 20 0 BHADHN Cc1ccccc1C1(NCCSC(C)C)CC1 ZINC000592139868 397945588 /nfs/dbraw/zinc/94/55/88/397945588.db2.gz LHRWJJYMJLDESR-UHFFFAOYSA-N 0 3 249.423 3.715 20 0 BHADHN CCN(CCSC)Cc1cc(C)sc1C ZINC000592205694 347756511 /nfs/dbraw/zinc/75/65/11/347756511.db2.gz ZELKPJUTFAYUFU-UHFFFAOYSA-N 0 3 243.441 3.550 20 0 BHADHN CCN(CCSC)Cc1coc2ccccc12 ZINC000592527659 347795700 /nfs/dbraw/zinc/79/57/00/347795700.db2.gz GGYHRZPJTAPYFL-UHFFFAOYSA-N 0 3 249.379 3.618 20 0 BHADHN CCN(CCSC)Cc1ccc2occc2c1 ZINC000592531947 347796745 /nfs/dbraw/zinc/79/67/45/347796745.db2.gz YIUFKPACYIGKBW-UHFFFAOYSA-N 0 3 249.379 3.618 20 0 BHADHN c1cc2c(s1)CCCN(Cc1ccccc1)C2 ZINC000592983888 347836379 /nfs/dbraw/zinc/83/63/79/347836379.db2.gz NJOXZNRUHPNFCY-UHFFFAOYSA-N 0 3 243.375 3.697 20 0 BHADHN CCSC1(CN[C@H](C)c2ccc(C)o2)CC1 ZINC000595102019 348196200 /nfs/dbraw/zinc/19/62/00/348196200.db2.gz XWXLCFSVTJPEKR-LLVKDONJSA-N 0 3 239.384 3.524 20 0 BHADHN CCSC1(CN[C@@H](C)c2ccc(C)o2)CC1 ZINC000595102020 348195909 /nfs/dbraw/zinc/19/59/09/348195909.db2.gz XWXLCFSVTJPEKR-NSHDSACASA-N 0 3 239.384 3.524 20 0 BHADHN CN(Cc1ccc(Cl)cc1)[C@H]1C=CCCC1 ZINC000595544492 348277769 /nfs/dbraw/zinc/27/77/69/348277769.db2.gz ODMVJXBKIHUVJU-AWEZNQCLSA-N 0 3 235.758 3.881 20 0 BHADHN CN(Cc1ccc(Cl)cc1)[C@@H]1C=CCCC1 ZINC000595544493 348277809 /nfs/dbraw/zinc/27/78/09/348277809.db2.gz ODMVJXBKIHUVJU-CQSZACIVSA-N 0 3 235.758 3.881 20 0 BHADHN Fc1cccc(CN(C2CC2)[C@H]2C=CCCC2)c1 ZINC000595556446 348277641 /nfs/dbraw/zinc/27/76/41/348277641.db2.gz BHAXRHONOJSIEO-HNNXBMFYSA-N 0 3 245.341 3.899 20 0 BHADHN Fc1cccc(CN(C2CC2)[C@@H]2C=CCCC2)c1 ZINC000595556448 348277772 /nfs/dbraw/zinc/27/77/72/348277772.db2.gz BHAXRHONOJSIEO-OAHLLOKOSA-N 0 3 245.341 3.899 20 0 BHADHN Cc1ccc(CN(C2CC2)[C@@H]2C=CCCC2)o1 ZINC000595563778 348281966 /nfs/dbraw/zinc/28/19/66/348281966.db2.gz WBBKXBSGGLYSPZ-CYBMUJFWSA-N 0 3 231.339 3.661 20 0 BHADHN Cc1ccc(CN(C2CC2)[C@H]2C=CCCC2)o1 ZINC000595563779 348282328 /nfs/dbraw/zinc/28/23/28/348282328.db2.gz WBBKXBSGGLYSPZ-ZDUSSCGKSA-N 0 3 231.339 3.661 20 0 BHADHN Fc1ccc(C2(N[C@H]3C=CCCC3)CCC2)cc1 ZINC000595564733 348283106 /nfs/dbraw/zinc/28/31/06/348283106.db2.gz AWKAZRIGTIRUOA-HNNXBMFYSA-N 0 3 245.341 3.903 20 0 BHADHN Fc1ccc(C2(N[C@@H]3C=CCCC3)CCC2)cc1 ZINC000595564734 348282762 /nfs/dbraw/zinc/28/27/62/348282762.db2.gz AWKAZRIGTIRUOA-OAHLLOKOSA-N 0 3 245.341 3.903 20 0 BHADHN COc1ccc(CN(C)[C@H]2C=CCCC2)cc1C ZINC000595572166 490162255 /nfs/dbraw/zinc/16/22/55/490162255.db2.gz UZIXHNJTYHGNNY-HNNXBMFYSA-N 0 3 245.366 3.544 20 0 BHADHN COc1ccc(CN(C)[C@@H]2C=CCCC2)cc1C ZINC000595572167 490162341 /nfs/dbraw/zinc/16/23/41/490162341.db2.gz UZIXHNJTYHGNNY-OAHLLOKOSA-N 0 3 245.366 3.544 20 0 BHADHN CSCCN(Cc1ccsc1)C(C)(C)C ZINC000595600850 348295914 /nfs/dbraw/zinc/29/59/14/348295914.db2.gz KPXJQDIVONFPQS-UHFFFAOYSA-N 0 3 243.441 3.712 20 0 BHADHN CCSCCNCc1cc2cc(C)ccc2o1 ZINC000597210161 348679872 /nfs/dbraw/zinc/67/98/72/348679872.db2.gz OCMAKXILVXMGII-UHFFFAOYSA-N 0 3 249.379 3.584 20 0 BHADHN C[C@@H]1C[C@H](C)CN(c2ccnc3ccccc32)C1 ZINC000599435106 349174852 /nfs/dbraw/zinc/17/48/52/349174852.db2.gz BKYGQSUNOGGUNZ-BETUJISGSA-N 0 3 240.350 3.717 20 0 BHADHN C[C@@H]1C[C@@H](C)CN(c2ccnc3ccccc32)C1 ZINC000599435107 349174883 /nfs/dbraw/zinc/17/48/83/349174883.db2.gz BKYGQSUNOGGUNZ-CHWSQXEVSA-N 0 3 240.350 3.717 20 0 BHADHN C[C@H]1C[C@H](C)CN(c2ccnc3ccccc32)C1 ZINC000599435108 349175020 /nfs/dbraw/zinc/17/50/20/349175020.db2.gz BKYGQSUNOGGUNZ-STQMWFEESA-N 0 3 240.350 3.717 20 0 BHADHN CC[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000599494114 349200206 /nfs/dbraw/zinc/20/02/06/349200206.db2.gz ISXPVLFKYDEPMF-CYBMUJFWSA-N 0 3 240.350 3.861 20 0 BHADHN CC[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000599494115 349199841 /nfs/dbraw/zinc/19/98/41/349199841.db2.gz ISXPVLFKYDEPMF-ZDUSSCGKSA-N 0 3 240.350 3.861 20 0 BHADHN CC(C)CCN(C)c1ccnc2ccccc21 ZINC000599533850 349211056 /nfs/dbraw/zinc/21/10/56/349211056.db2.gz OCBXJILDWSKCFZ-UHFFFAOYSA-N 0 3 228.339 3.717 20 0 BHADHN CCC1CCN(c2ccnc3ccccc32)CC1 ZINC000599534176 349210952 /nfs/dbraw/zinc/21/09/52/349210952.db2.gz UACJVKTXSAAIES-UHFFFAOYSA-N 0 3 240.350 3.861 20 0 BHADHN CN(CC(C)(C)C)c1ccnc2ccccc21 ZINC000599848321 349263735 /nfs/dbraw/zinc/26/37/35/349263735.db2.gz ZROLANBDTGPSLI-UHFFFAOYSA-N 0 3 228.339 3.717 20 0 BHADHN CC[C@@H](C)CN(C)c1ccnc2ccccc21 ZINC000599937987 398045670 /nfs/dbraw/zinc/04/56/70/398045670.db2.gz VREGNFAGVNQRRT-GFCCVEGCSA-N 0 3 228.339 3.717 20 0 BHADHN CC[C@H](C)CN(C)c1ccnc2ccccc21 ZINC000599937988 398045686 /nfs/dbraw/zinc/04/56/86/398045686.db2.gz VREGNFAGVNQRRT-LBPRGKRZSA-N 0 3 228.339 3.717 20 0 BHADHN CC[C@H](C)CN(C)Cc1ccccc1OC(C)C ZINC000600655217 344352664 /nfs/dbraw/zinc/35/26/64/344352664.db2.gz PDOJHOXSTUSKIX-AWEZNQCLSA-N 0 3 249.398 3.952 20 0 BHADHN CC[C@@H](C)CN(C)Cc1ccccc1OC(C)C ZINC000600655218 344352708 /nfs/dbraw/zinc/35/27/08/344352708.db2.gz PDOJHOXSTUSKIX-CQSZACIVSA-N 0 3 249.398 3.952 20 0 BHADHN C[C@@H](c1cc(F)ccc1F)N(C)CC1CCC1 ZINC000600713250 344361574 /nfs/dbraw/zinc/36/15/74/344361574.db2.gz RJZZQQHSMSNWHL-JTQLQIEISA-N 0 3 239.309 3.758 20 0 BHADHN C[C@H](c1cc(F)ccc1F)N(C)CC1CCC1 ZINC000600713257 344361512 /nfs/dbraw/zinc/36/15/12/344361512.db2.gz RJZZQQHSMSNWHL-SNVBAGLBSA-N 0 3 239.309 3.758 20 0 BHADHN CSC1CCN(C/C=C/c2ccccc2)CC1 ZINC000602726518 349715526 /nfs/dbraw/zinc/71/55/26/349715526.db2.gz TXAWHQOUIFKZOX-VMPITWQZSA-N 0 3 247.407 3.527 20 0 BHADHN CSC1CCN(C/C=C\c2ccccc2)CC1 ZINC000602726523 349715966 /nfs/dbraw/zinc/71/59/66/349715966.db2.gz TXAWHQOUIFKZOX-YVMONPNESA-N 0 3 247.407 3.527 20 0 BHADHN Cc1ccc(CN(CCC(C)(C)C)C2CC2)o1 ZINC000602862911 349774378 /nfs/dbraw/zinc/77/43/78/349774378.db2.gz YNUQJRDVPVLNNO-UHFFFAOYSA-N 0 3 235.371 3.989 20 0 BHADHN CCN(CCC(C)(C)C)Cc1ccoc1 ZINC000602862994 349774642 /nfs/dbraw/zinc/77/46/42/349774642.db2.gz FMBSXNIWWVIBJK-UHFFFAOYSA-N 0 3 209.333 3.538 20 0 BHADHN CCN(CCC(C)(C)C)CCC(F)(F)F ZINC000602869181 349800043 /nfs/dbraw/zinc/80/00/43/349800043.db2.gz MXHNNEZILLIZNW-UHFFFAOYSA-N 0 3 225.298 3.697 20 0 BHADHN CCc1ncc(CN(C)CCC(C)(C)C)s1 ZINC000602872320 349804471 /nfs/dbraw/zinc/80/44/71/349804471.db2.gz PDAMLXAQLOVNAH-UHFFFAOYSA-N 0 3 240.416 3.574 20 0 BHADHN C/C=C/CN[C@H](c1cccnc1)C1CCCCC1 ZINC000603411244 349960626 /nfs/dbraw/zinc/96/06/26/349960626.db2.gz QYEMVCVXCPYWHN-KZSQQDEKSA-N 0 3 244.382 3.869 20 0 BHADHN C/C=C\CN[C@@H](c1cccnc1)C1CCCCC1 ZINC000603411246 349960809 /nfs/dbraw/zinc/96/08/09/349960809.db2.gz QYEMVCVXCPYWHN-RXYHWBRQSA-N 0 3 244.382 3.869 20 0 BHADHN C/C=C/CN[C@@H](c1cccnc1)C1CCCCC1 ZINC000603411248 349960669 /nfs/dbraw/zinc/96/06/69/349960669.db2.gz QYEMVCVXCPYWHN-WOMSROEHSA-N 0 3 244.382 3.869 20 0 BHADHN C/C=C\CN[C@H](c1cccnc1)C1CCCCC1 ZINC000603411249 349960862 /nfs/dbraw/zinc/96/08/62/349960862.db2.gz QYEMVCVXCPYWHN-YPQKKHBXSA-N 0 3 244.382 3.869 20 0 BHADHN CCN(CCSC)[C@H](C)c1cccc(F)c1 ZINC000604503331 491091662 /nfs/dbraw/zinc/09/16/62/491091662.db2.gz BYORORXGWWAVNX-LLVKDONJSA-N 0 3 241.375 3.572 20 0 BHADHN CCN(CCSC)[C@@H](C)c1cccc(F)c1 ZINC000604503332 491091642 /nfs/dbraw/zinc/09/16/42/491091642.db2.gz BYORORXGWWAVNX-NSHDSACASA-N 0 3 241.375 3.572 20 0 BHADHN CCN(CCSC)[C@H](C)c1ccccc1F ZINC000604503360 411314185 /nfs/dbraw/zinc/31/41/85/411314185.db2.gz HJZIHKAWZRULPK-LLVKDONJSA-N 0 3 241.375 3.572 20 0 BHADHN CCN(CCSC)[C@@H](C)c1ccccc1F ZINC000604503361 411314076 /nfs/dbraw/zinc/31/40/76/411314076.db2.gz HJZIHKAWZRULPK-NSHDSACASA-N 0 3 241.375 3.572 20 0 BHADHN CC(C)[C@@H]1CCCN1c1ccnc2ccccc21 ZINC000604758545 350183945 /nfs/dbraw/zinc/18/39/45/350183945.db2.gz GRMSLQDRHJOBHA-HNNXBMFYSA-N 0 3 240.350 3.860 20 0 BHADHN CC(C)[C@H]1CCCN1c1ccnc2ccccc21 ZINC000604758551 350184154 /nfs/dbraw/zinc/18/41/54/350184154.db2.gz GRMSLQDRHJOBHA-OAHLLOKOSA-N 0 3 240.350 3.860 20 0 BHADHN C[C@H](c1ccncc1)N1CCC(C(C)(C)C)CC1 ZINC000604759255 350184138 /nfs/dbraw/zinc/18/41/38/350184138.db2.gz WAYYKDCOTXXPMY-CYBMUJFWSA-N 0 3 246.398 3.901 20 0 BHADHN C[C@@H](c1ccncc1)N1CCC(C(C)(C)C)CC1 ZINC000604759256 350183975 /nfs/dbraw/zinc/18/39/75/350183975.db2.gz WAYYKDCOTXXPMY-ZDUSSCGKSA-N 0 3 246.398 3.901 20 0 BHADHN CCC(CC)N(Cc1ccn(C(C)C)n1)C1CC1 ZINC000604884427 350196527 /nfs/dbraw/zinc/19/65/27/350196527.db2.gz VLUJLPYJRMCDPB-UHFFFAOYSA-N 0 3 249.402 3.617 20 0 BHADHN CC(C)(NCc1ccc(F)cc1)c1cccs1 ZINC000604892728 350196626 /nfs/dbraw/zinc/19/66/26/350196626.db2.gz WFNLKYDHSVKEHV-UHFFFAOYSA-N 0 3 249.354 3.912 20 0 BHADHN CC(C)(NCc1cccc(F)c1)c1cccs1 ZINC000604892910 350198072 /nfs/dbraw/zinc/19/80/72/350198072.db2.gz KQVPCBMNGZQMSM-UHFFFAOYSA-N 0 3 249.354 3.912 20 0 BHADHN CC(C)=CCN(CCc1ccc(F)cc1)C1CC1 ZINC000604903149 350197365 /nfs/dbraw/zinc/19/73/65/350197365.db2.gz QSIZKLCUBXECHK-UHFFFAOYSA-N 0 3 247.357 3.799 20 0 BHADHN CC[C@@H]1CCCN(Cc2ccccc2F)CC1 ZINC000604998820 350235554 /nfs/dbraw/zinc/23/55/54/350235554.db2.gz FCYPLGRHBKKJTL-CYBMUJFWSA-N 0 3 235.346 3.838 20 0 BHADHN CC[C@H]1CCCN(Cc2ccccc2F)CC1 ZINC000604998821 350235328 /nfs/dbraw/zinc/23/53/28/350235328.db2.gz FCYPLGRHBKKJTL-ZDUSSCGKSA-N 0 3 235.346 3.838 20 0 BHADHN CCCCCN(C)Cc1ccc(F)cc1F ZINC000605149736 350258280 /nfs/dbraw/zinc/25/82/80/350258280.db2.gz FLRJFNRXOPDRDC-UHFFFAOYSA-N 0 3 227.298 3.587 20 0 BHADHN CCCCCN(C)Cc1ccc(F)c(F)c1 ZINC000605149781 350258266 /nfs/dbraw/zinc/25/82/66/350258266.db2.gz PQWLTQISZBYOMH-UHFFFAOYSA-N 0 3 227.298 3.587 20 0 BHADHN CCCCCN(Cc1ccc(C)o1)C1CC1 ZINC000605149855 350259020 /nfs/dbraw/zinc/25/90/20/350259020.db2.gz HEPVQVUESDCZFF-UHFFFAOYSA-N 0 3 221.344 3.743 20 0 BHADHN CCCCCN1CCS[C@H](c2ccccc2)C1 ZINC000605154862 350263897 /nfs/dbraw/zinc/26/38/97/350263897.db2.gz CBKWTOJEJGHHEN-HNNXBMFYSA-N 0 3 249.423 3.967 20 0 BHADHN CCCCCN1CCS[C@@H](c2ccccc2)C1 ZINC000605154863 350263961 /nfs/dbraw/zinc/26/39/61/350263961.db2.gz CBKWTOJEJGHHEN-OAHLLOKOSA-N 0 3 249.423 3.967 20 0 BHADHN CC(C)=CCN1CCS[C@H](c2ccccc2)C1 ZINC000605155382 350263823 /nfs/dbraw/zinc/26/38/23/350263823.db2.gz PDEWMBUXOMGZEM-HNNXBMFYSA-N 0 3 247.407 3.743 20 0 BHADHN CC(C)=CCN1CCS[C@@H](c2ccccc2)C1 ZINC000605155383 350263936 /nfs/dbraw/zinc/26/39/36/350263936.db2.gz PDEWMBUXOMGZEM-OAHLLOKOSA-N 0 3 247.407 3.743 20 0 BHADHN CCCCN1CCS[C@H](c2ccccc2)C1 ZINC000605155997 350264143 /nfs/dbraw/zinc/26/41/43/350264143.db2.gz GOOXIWCQUNZLCS-AWEZNQCLSA-N 0 3 235.396 3.577 20 0 BHADHN CCCCN1CCS[C@@H](c2ccccc2)C1 ZINC000605155998 350263861 /nfs/dbraw/zinc/26/38/61/350263861.db2.gz GOOXIWCQUNZLCS-CQSZACIVSA-N 0 3 235.396 3.577 20 0 BHADHN CCc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1 ZINC000605317201 342750179 /nfs/dbraw/zinc/75/01/79/342750179.db2.gz ILQOHZZMFSNTGL-CHWSQXEVSA-N 0 3 249.423 3.575 20 0 BHADHN CCc1ccc(CN2CCS[C@@H](C)[C@H]2C)cc1 ZINC000605317202 342750194 /nfs/dbraw/zinc/75/01/94/342750194.db2.gz ILQOHZZMFSNTGL-OLZOCXBDSA-N 0 3 249.423 3.575 20 0 BHADHN CCc1ccc(CN2CCS[C@H](C)[C@@H]2C)cc1 ZINC000605317203 342750496 /nfs/dbraw/zinc/75/04/96/342750496.db2.gz ILQOHZZMFSNTGL-QWHCGFSZSA-N 0 3 249.423 3.575 20 0 BHADHN CCc1ccc(CN2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000605317204 342750471 /nfs/dbraw/zinc/75/04/71/342750471.db2.gz ILQOHZZMFSNTGL-STQMWFEESA-N 0 3 249.423 3.575 20 0 BHADHN Cc1cc(C)cc(CN2CCS[C@@H](C)[C@@H]2C)c1 ZINC000605317311 342750377 /nfs/dbraw/zinc/75/03/77/342750377.db2.gz RJTNAZHAZLAKLY-KBPBESRZSA-N 0 3 249.423 3.629 20 0 BHADHN Cc1cc(C)cc(CN2CCS[C@@H](C)[C@H]2C)c1 ZINC000605317312 342750431 /nfs/dbraw/zinc/75/04/31/342750431.db2.gz RJTNAZHAZLAKLY-KGLIPLIRSA-N 0 3 249.423 3.629 20 0 BHADHN Cc1cc(C)cc(CN2CCS[C@H](C)[C@@H]2C)c1 ZINC000605317313 342750437 /nfs/dbraw/zinc/75/04/37/342750437.db2.gz RJTNAZHAZLAKLY-UONOGXRCSA-N 0 3 249.423 3.629 20 0 BHADHN Cc1cc(C)cc(CN2CCS[C@H](C)[C@H]2C)c1 ZINC000605317314 342750370 /nfs/dbraw/zinc/75/03/70/342750370.db2.gz RJTNAZHAZLAKLY-ZIAGYGMSSA-N 0 3 249.423 3.629 20 0 BHADHN Cc1ccc(CCN(C)Cc2ccsc2)cc1 ZINC000605572200 345968090 /nfs/dbraw/zinc/96/80/90/345968090.db2.gz VBTOWJUCHSRFPY-UHFFFAOYSA-N 0 3 245.391 3.731 20 0 BHADHN CCN(CCc1ccc(C)cc1)Cc1ccoc1 ZINC000605573320 345968005 /nfs/dbraw/zinc/96/80/05/345968005.db2.gz NJUCCDKMGCIFJV-UHFFFAOYSA-N 0 3 243.350 3.653 20 0 BHADHN CC(C)=CCN1CCC(c2ccccc2F)CC1 ZINC000605576775 346221400 /nfs/dbraw/zinc/22/14/00/346221400.db2.gz AJNBLFOBGCHGDD-UHFFFAOYSA-N 0 3 247.357 3.971 20 0 BHADHN c1ccc2oc(CNC3CCCCCC3)nc2c1 ZINC000606354427 350318036 /nfs/dbraw/zinc/31/80/36/350318036.db2.gz LODQGZFOEJQMQL-UHFFFAOYSA-N 0 3 244.338 3.640 20 0 BHADHN CC(C)CC[C@@H](C)NCc1nc2ccccc2o1 ZINC000606356535 350317813 /nfs/dbraw/zinc/31/78/13/350317813.db2.gz WIQOECJGEFCNKR-GFCCVEGCSA-N 0 3 246.354 3.742 20 0 BHADHN CC(C)CC[C@H](C)NCc1nc2ccccc2o1 ZINC000606356536 350318264 /nfs/dbraw/zinc/31/82/64/350318264.db2.gz WIQOECJGEFCNKR-LBPRGKRZSA-N 0 3 246.354 3.742 20 0 BHADHN CC[C@@H](c1ccc(F)cc1F)N1CCCCC1 ZINC000606430285 350330700 /nfs/dbraw/zinc/33/07/00/350330700.db2.gz VWJXPMLEQCZQFD-AWEZNQCLSA-N 0 3 239.309 3.902 20 0 BHADHN CC[C@H](c1ccc(F)cc1F)N1CCCCC1 ZINC000606430286 350330905 /nfs/dbraw/zinc/33/09/05/350330905.db2.gz VWJXPMLEQCZQFD-CQSZACIVSA-N 0 3 239.309 3.902 20 0 BHADHN Cc1cccc(C)c1CN(C)Cc1ccccc1 ZINC000606430323 350330495 /nfs/dbraw/zinc/33/04/95/350330495.db2.gz ZTWZQHSRQFNOTF-UHFFFAOYSA-N 0 3 239.362 3.935 20 0 BHADHN Cc1cccc(C)c1CN(C)Cc1ccsc1 ZINC000606431035 350331595 /nfs/dbraw/zinc/33/15/95/350331595.db2.gz IUEYBHSGUAHIRB-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CCN(Cc1ccoc1)Cc1c(C)cccc1C ZINC000606432768 350332629 /nfs/dbraw/zinc/33/26/29/350332629.db2.gz RKHRPHDCUAJYFK-UHFFFAOYSA-N 0 3 243.350 3.919 20 0 BHADHN Cc1cccc(C)c1CN1Cc2ccccc2C1 ZINC000606433246 350337153 /nfs/dbraw/zinc/33/71/53/350337153.db2.gz DDZIAYRKVJNTDR-UHFFFAOYSA-N 0 3 237.346 3.819 20 0 BHADHN C[C@@H]1c2ccc(F)cc2CCN1[C@H]1C=CCCC1 ZINC000606448529 350338594 /nfs/dbraw/zinc/33/85/94/350338594.db2.gz AESWJDZIVKZXOX-DOMZBBRYSA-N 0 3 245.341 3.854 20 0 BHADHN C[C@@H]1c2ccc(F)cc2CCN1[C@@H]1C=CCCC1 ZINC000606448530 350338360 /nfs/dbraw/zinc/33/83/60/350338360.db2.gz AESWJDZIVKZXOX-IUODEOHRSA-N 0 3 245.341 3.854 20 0 BHADHN C[C@H]1c2ccc(F)cc2CCN1[C@@H]1C=CCCC1 ZINC000606448531 350338520 /nfs/dbraw/zinc/33/85/20/350338520.db2.gz AESWJDZIVKZXOX-SWLSCSKDSA-N 0 3 245.341 3.854 20 0 BHADHN C[C@H]1c2ccc(F)cc2CCN1[C@H]1C=CCCC1 ZINC000606448532 350338575 /nfs/dbraw/zinc/33/85/75/350338575.db2.gz AESWJDZIVKZXOX-WFASDCNBSA-N 0 3 245.341 3.854 20 0 BHADHN CCCCCN1CCc2cc(F)ccc2[C@H]1C ZINC000606448891 350338660 /nfs/dbraw/zinc/33/86/60/350338660.db2.gz JEUVBEWUEJAWIB-GFCCVEGCSA-N 0 3 235.346 3.935 20 0 BHADHN CCCCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000606448892 350339173 /nfs/dbraw/zinc/33/91/73/350339173.db2.gz JEUVBEWUEJAWIB-LBPRGKRZSA-N 0 3 235.346 3.935 20 0 BHADHN CCCCN1CCc2cc(F)ccc2[C@H]1C ZINC000606449137 350338940 /nfs/dbraw/zinc/33/89/40/350338940.db2.gz OJCSBJSIWQPNHM-LLVKDONJSA-N 0 3 221.319 3.545 20 0 BHADHN CCCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000606449138 350338926 /nfs/dbraw/zinc/33/89/26/350338926.db2.gz OJCSBJSIWQPNHM-NSHDSACASA-N 0 3 221.319 3.545 20 0 BHADHN CC(C)CCN1CCc2cc(F)ccc2[C@H]1C ZINC000606449575 350339004 /nfs/dbraw/zinc/33/90/04/350339004.db2.gz YYNZLDVYMLPKMY-GFCCVEGCSA-N 0 3 235.346 3.791 20 0 BHADHN CC(C)CCN1CCc2cc(F)ccc2[C@@H]1C ZINC000606449576 350339019 /nfs/dbraw/zinc/33/90/19/350339019.db2.gz YYNZLDVYMLPKMY-LBPRGKRZSA-N 0 3 235.346 3.791 20 0 BHADHN CCCCCN1CCc2cccc(F)c2[C@H]1C ZINC000606450353 350339359 /nfs/dbraw/zinc/33/93/59/350339359.db2.gz XLXGDLIRLSYWCT-GFCCVEGCSA-N 0 3 235.346 3.935 20 0 BHADHN CCCCCN1CCc2cccc(F)c2[C@@H]1C ZINC000606450354 350338912 /nfs/dbraw/zinc/33/89/12/350338912.db2.gz XLXGDLIRLSYWCT-LBPRGKRZSA-N 0 3 235.346 3.935 20 0 BHADHN CCCCN1CCc2cccc(F)c2[C@H]1C ZINC000606450489 350339400 /nfs/dbraw/zinc/33/94/00/350339400.db2.gz CKWGWKKWIVICOG-LLVKDONJSA-N 0 3 221.319 3.545 20 0 BHADHN CCCCN1CCc2cccc(F)c2[C@@H]1C ZINC000606450490 350338990 /nfs/dbraw/zinc/33/89/90/350338990.db2.gz CKWGWKKWIVICOG-NSHDSACASA-N 0 3 221.319 3.545 20 0 BHADHN C[C@H]1c2c(F)cccc2CCN1[C@@H]1C=CCCC1 ZINC000606450513 350339393 /nfs/dbraw/zinc/33/93/93/350339393.db2.gz DMUJTQZFEBSMCZ-GXTWGEPZSA-N 0 3 245.341 3.854 20 0 BHADHN C[C@H]1c2c(F)cccc2CCN1[C@H]1C=CCCC1 ZINC000606450514 350339441 /nfs/dbraw/zinc/33/94/41/350339441.db2.gz DMUJTQZFEBSMCZ-JSGCOSHPSA-N 0 3 245.341 3.854 20 0 BHADHN C[C@@H]1c2c(F)cccc2CCN1[C@H]1C=CCCC1 ZINC000606450515 350339477 /nfs/dbraw/zinc/33/94/77/350339477.db2.gz DMUJTQZFEBSMCZ-OCCSQVGLSA-N 0 3 245.341 3.854 20 0 BHADHN C[C@@H]1c2c(F)cccc2CCN1[C@@H]1C=CCCC1 ZINC000606450516 350339436 /nfs/dbraw/zinc/33/94/36/350339436.db2.gz DMUJTQZFEBSMCZ-TZMCWYRMSA-N 0 3 245.341 3.854 20 0 BHADHN CC(C)CCN1CCc2cccc(F)c2[C@H]1C ZINC000606450783 350339376 /nfs/dbraw/zinc/33/93/76/350339376.db2.gz RAQXNZCIBYZUCG-GFCCVEGCSA-N 0 3 235.346 3.791 20 0 BHADHN CC(C)CCN1CCc2cccc(F)c2[C@@H]1C ZINC000606450784 350339465 /nfs/dbraw/zinc/33/94/65/350339465.db2.gz RAQXNZCIBYZUCG-LBPRGKRZSA-N 0 3 235.346 3.791 20 0 BHADHN Cc1cc(C)c(CN2CCSC[C@@H]2C)c(C)c1 ZINC000606451807 350340266 /nfs/dbraw/zinc/34/02/66/350340266.db2.gz WWXVOSUBIGADSW-AWEZNQCLSA-N 0 3 249.423 3.549 20 0 BHADHN Cc1cc(C)c(CN2CCSC[C@H]2C)c(C)c1 ZINC000606451808 350340178 /nfs/dbraw/zinc/34/01/78/350340178.db2.gz WWXVOSUBIGADSW-CQSZACIVSA-N 0 3 249.423 3.549 20 0 BHADHN C1=C[C@H](N2CCC3(CCCC3)CC2)CCC1 ZINC000606454105 350340256 /nfs/dbraw/zinc/34/02/56/350340256.db2.gz YYITYUYIOYIMMC-AWEZNQCLSA-N 0 3 219.372 3.751 20 0 BHADHN C1=C[C@@H](N2CCC3(CCCC3)CC2)CCC1 ZINC000606454106 350340296 /nfs/dbraw/zinc/34/02/96/350340296.db2.gz YYITYUYIOYIMMC-CQSZACIVSA-N 0 3 219.372 3.751 20 0 BHADHN CC(C)CCN1CCc2c(Cl)cccc2C1 ZINC000606897222 350622794 /nfs/dbraw/zinc/62/27/94/350622794.db2.gz SUFGLWNQHFDSKT-UHFFFAOYSA-N 0 3 237.774 3.744 20 0 BHADHN CCCCCN1CCc2c(Cl)cccc2C1 ZINC000606897572 350622160 /nfs/dbraw/zinc/62/21/60/350622160.db2.gz QCCVQNIYPSLDQL-UHFFFAOYSA-N 0 3 237.774 3.888 20 0 BHADHN FC(F)(F)CCN1CCCC2(CCCCC2)C1 ZINC000607152425 351030432 /nfs/dbraw/zinc/03/04/32/351030432.db2.gz LVDBSOPHBCRRQJ-UHFFFAOYSA-N 0 3 249.320 3.985 20 0 BHADHN C[C@@H]1CCN(CCC(F)(F)F)[C@@H]2CCCC[C@@H]12 ZINC000607152863 351030239 /nfs/dbraw/zinc/03/02/39/351030239.db2.gz ZUEDUNNYSKXKAX-GRYCIOLGSA-N 0 3 249.320 3.839 20 0 BHADHN C[C@@H]1CCN(CCC(F)(F)F)[C@@H]2CCCC[C@H]12 ZINC000607152864 351030293 /nfs/dbraw/zinc/03/02/93/351030293.db2.gz ZUEDUNNYSKXKAX-IJLUTSLNSA-N 0 3 249.320 3.839 20 0 BHADHN C[C@@H]1CCN(CCC(F)(F)F)[C@H]2CCCC[C@H]12 ZINC000607152865 351030778 /nfs/dbraw/zinc/03/07/78/351030778.db2.gz ZUEDUNNYSKXKAX-UTUOFQBUSA-N 0 3 249.320 3.839 20 0 BHADHN C[C@@H]1CCN(CCC(F)(F)F)[C@H]2CCCC[C@@H]12 ZINC000607152866 351031011 /nfs/dbraw/zinc/03/10/11/351031011.db2.gz ZUEDUNNYSKXKAX-WOPDTQHZSA-N 0 3 249.320 3.839 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2cccc(Cl)c2)C1 ZINC000607155060 351031666 /nfs/dbraw/zinc/03/16/66/351031666.db2.gz IEDOFCACCXRSSX-GHMZBOCLSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2cccc(Cl)c2)C1 ZINC000607155061 351031483 /nfs/dbraw/zinc/03/14/83/351031483.db2.gz IEDOFCACCXRSSX-MNOVXSKESA-N 0 3 223.747 3.570 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2cccc(Cl)c2)C1 ZINC000607155062 351031916 /nfs/dbraw/zinc/03/19/16/351031916.db2.gz IEDOFCACCXRSSX-QWRGUYRKSA-N 0 3 223.747 3.570 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1cccc(Cl)c1 ZINC000607155063 351031896 /nfs/dbraw/zinc/03/18/96/351031896.db2.gz IEDOFCACCXRSSX-WDEREUQCSA-N 0 3 223.747 3.570 20 0 BHADHN COc1ccccc1CN(C)CCC1CCCC1 ZINC000607725158 342781854 /nfs/dbraw/zinc/78/18/54/342781854.db2.gz MFXDWMREYLFZIQ-UHFFFAOYSA-N 0 3 247.382 3.707 20 0 BHADHN CN(CCC1CCCC1)Cc1ccsc1 ZINC000607725676 342782164 /nfs/dbraw/zinc/78/21/64/342782164.db2.gz MAORQUIUTMDNFA-UHFFFAOYSA-N 0 3 223.385 3.760 20 0 BHADHN c1cc2c(s1)CCN(CCC1CCCC1)C2 ZINC000607726008 342782198 /nfs/dbraw/zinc/78/21/98/342782198.db2.gz MBIRGNIVUQFKGW-UHFFFAOYSA-N 0 3 235.396 3.687 20 0 BHADHN CCN(CCC1CCCC1)CCC(F)(F)F ZINC000607728237 342781533 /nfs/dbraw/zinc/78/15/33/342781533.db2.gz ZALZYZQMRXMMDA-UHFFFAOYSA-N 0 3 237.309 3.841 20 0 BHADHN CCN(CCC1CCCC1)Cc1ccoc1 ZINC000607728955 342783739 /nfs/dbraw/zinc/78/37/39/342783739.db2.gz VYMUBLCVYDKJSX-UHFFFAOYSA-N 0 3 221.344 3.682 20 0 BHADHN C[C@@H]1CCCN(Cc2cccc(Cl)c2)[C@H]1C ZINC000607740376 342786322 /nfs/dbraw/zinc/78/63/22/342786322.db2.gz OLIZJMAPPJFUAI-NEPJUHHUSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1[C@@H](C)CCCN1Cc1cccc(Cl)c1 ZINC000607740377 342786340 /nfs/dbraw/zinc/78/63/40/342786340.db2.gz OLIZJMAPPJFUAI-NWDGAFQWSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@H]1CCCN(Cc2cccc(Cl)c2)[C@H]1C ZINC000607740378 342786152 /nfs/dbraw/zinc/78/61/52/342786152.db2.gz OLIZJMAPPJFUAI-RYUDHWBXSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1CCCN(Cc2cccc(Cl)c2)[C@@H]1C ZINC000607740379 342786180 /nfs/dbraw/zinc/78/61/80/342786180.db2.gz OLIZJMAPPJFUAI-VXGBXAGGSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1CCCN(Cc2ccc(Cl)cc2)[C@H]1C ZINC000607741039 342786592 /nfs/dbraw/zinc/78/65/92/342786592.db2.gz LWKGZNFPKBMRPN-NEPJUHHUSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(Cl)cc1 ZINC000607741040 342786483 /nfs/dbraw/zinc/78/64/83/342786483.db2.gz LWKGZNFPKBMRPN-NWDGAFQWSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@H]1CCCN(Cc2ccc(Cl)cc2)[C@H]1C ZINC000607741041 342786726 /nfs/dbraw/zinc/78/67/26/342786726.db2.gz LWKGZNFPKBMRPN-RYUDHWBXSA-N 0 3 237.774 3.960 20 0 BHADHN C[C@@H]1CCCN(Cc2ccc(Cl)cc2)[C@@H]1C ZINC000607741042 342786679 /nfs/dbraw/zinc/78/66/79/342786679.db2.gz LWKGZNFPKBMRPN-VXGBXAGGSA-N 0 3 237.774 3.960 20 0 BHADHN Fc1ccccc1CN1CCC2(C1)CCCCC2 ZINC000607752702 342789105 /nfs/dbraw/zinc/78/91/05/342789105.db2.gz MIOOGDCOINJBOT-UHFFFAOYSA-N 0 3 247.357 3.982 20 0 BHADHN Cc1ccoc1CNCCc1ccccc1Cl ZINC000608054795 352650892 /nfs/dbraw/zinc/65/08/92/352650892.db2.gz AJAKIIAGAFEHAI-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN Cc1ccoc1CNC[C@@H](C)c1ccc(F)cc1 ZINC000608055956 352652085 /nfs/dbraw/zinc/65/20/85/352652085.db2.gz GDTJOQLTMRKEOK-GFCCVEGCSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1ccoc1CNC[C@H](C)c1ccc(F)cc1 ZINC000608055961 352651780 /nfs/dbraw/zinc/65/17/80/352651780.db2.gz GDTJOQLTMRKEOK-LBPRGKRZSA-N 0 3 247.313 3.620 20 0 BHADHN CCC(CC)c1cc(CNCC(C)(C)C)on1 ZINC000608061953 386733906 /nfs/dbraw/zinc/73/39/06/386733906.db2.gz LKDLZQOKBDRGBF-UHFFFAOYSA-N 0 3 238.375 3.714 20 0 BHADHN Cc1ccoc1CN[C@H]1C[C@H]1C1CCCCC1 ZINC000608062210 386735030 /nfs/dbraw/zinc/73/50/30/386735030.db2.gz GQZOHIAUDBHHET-KBPBESRZSA-N 0 3 233.355 3.646 20 0 BHADHN Cc1ccoc1CN[C@H]1C[C@@H]1C1CCCCC1 ZINC000608062211 386735151 /nfs/dbraw/zinc/73/51/51/386735151.db2.gz GQZOHIAUDBHHET-KGLIPLIRSA-N 0 3 233.355 3.646 20 0 BHADHN Cc1ccoc1CN[C@@H]1C[C@H]1C1CCCCC1 ZINC000608062212 386735677 /nfs/dbraw/zinc/73/56/77/386735677.db2.gz GQZOHIAUDBHHET-UONOGXRCSA-N 0 3 233.355 3.646 20 0 BHADHN Cc1ccoc1CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC000608062213 386736273 /nfs/dbraw/zinc/73/62/73/386736273.db2.gz GQZOHIAUDBHHET-ZIAGYGMSSA-N 0 3 233.355 3.646 20 0 BHADHN CCCc1ccc(CNCCC(F)(F)F)cc1 ZINC000608071821 411500369 /nfs/dbraw/zinc/50/03/69/411500369.db2.gz NYLPKFMRQMIRQL-UHFFFAOYSA-N 0 3 245.288 3.681 20 0 BHADHN CCN(Cc1cccs1)[C@H](C)c1ccncc1 ZINC000608491442 355814855 /nfs/dbraw/zinc/81/48/55/355814855.db2.gz JYIUFUAJMKDQCX-GFCCVEGCSA-N 0 3 246.379 3.726 20 0 BHADHN CCN(Cc1cccs1)[C@@H](C)c1ccncc1 ZINC000608491443 355814340 /nfs/dbraw/zinc/81/43/40/355814340.db2.gz JYIUFUAJMKDQCX-LBPRGKRZSA-N 0 3 246.379 3.726 20 0 BHADHN CCC(C)(C)CCN1CCOc2ccccc2C1 ZINC000608493077 355818867 /nfs/dbraw/zinc/81/88/67/355818867.db2.gz RWPWKRKYSKLPJJ-UHFFFAOYSA-N 0 3 247.382 3.707 20 0 BHADHN CCCN(CCC1CC1)Cc1ccccc1F ZINC000608493685 355819691 /nfs/dbraw/zinc/81/96/91/355819691.db2.gz HJKCYURFVCIARS-UHFFFAOYSA-N 0 3 235.346 3.838 20 0 BHADHN CCN(CCC(C)(C)CC)Cc1ccoc1 ZINC000608494645 355817849 /nfs/dbraw/zinc/81/78/49/355817849.db2.gz GAFASBYPRIFGBS-UHFFFAOYSA-N 0 3 223.360 3.928 20 0 BHADHN CCC(C)(C)CCN1Cc2ccccc2C1 ZINC000608496636 355823398 /nfs/dbraw/zinc/82/33/98/355823398.db2.gz WDWFGLLPUQJURQ-UHFFFAOYSA-N 0 3 217.356 3.829 20 0 BHADHN C[C@@H]1c2ccc(F)cc2CCN1CC1CCC1 ZINC000608497458 355824313 /nfs/dbraw/zinc/82/43/13/355824313.db2.gz COSGXVFGJRPFJE-LLVKDONJSA-N 0 3 233.330 3.545 20 0 BHADHN C[C@H]1c2ccc(F)cc2CCN1CC1CCC1 ZINC000608497459 355824154 /nfs/dbraw/zinc/82/41/54/355824154.db2.gz COSGXVFGJRPFJE-NSHDSACASA-N 0 3 233.330 3.545 20 0 BHADHN C[C@@H]1c2ccc(F)cc2CCN1CCC1CC1 ZINC000608497553 355824201 /nfs/dbraw/zinc/82/42/01/355824201.db2.gz USDRVXRLIIFKJH-LLVKDONJSA-N 0 3 233.330 3.545 20 0 BHADHN C[C@H]1c2ccc(F)cc2CCN1CCC1CC1 ZINC000608497554 355824189 /nfs/dbraw/zinc/82/41/89/355824189.db2.gz USDRVXRLIIFKJH-NSHDSACASA-N 0 3 233.330 3.545 20 0 BHADHN C1=C[C@H](N2C3CCCC2CCC3)CCC1 ZINC000608499047 355827247 /nfs/dbraw/zinc/82/72/47/355827247.db2.gz UNWGVQQSTYCAMM-HSBZDZAISA-N 0 3 205.345 3.502 20 0 BHADHN C1=C[C@@H](N2C3CCCC2CCC3)CCC1 ZINC000608499048 355826911 /nfs/dbraw/zinc/82/69/11/355826911.db2.gz UNWGVQQSTYCAMM-IYXRBSQSSA-N 0 3 205.345 3.502 20 0 BHADHN Fc1ccc(CN2C3CCCC2CCC3)cc1 ZINC000608499197 355827909 /nfs/dbraw/zinc/82/79/09/355827909.db2.gz CYTGYKVKLOWFRN-UHFFFAOYSA-N 0 3 233.330 3.733 20 0 BHADHN Fc1cccc(CN2C3CCCC2CCC3)c1 ZINC000608499264 355828042 /nfs/dbraw/zinc/82/80/42/355828042.db2.gz DKJXDOJLQVAZCH-UHFFFAOYSA-N 0 3 233.330 3.733 20 0 BHADHN Fc1ccccc1CN1C2CCCC1CCC2 ZINC000608499546 355828049 /nfs/dbraw/zinc/82/80/49/355828049.db2.gz OUCNBYYKXOSBEM-UHFFFAOYSA-N 0 3 233.330 3.733 20 0 BHADHN FC(F)(F)CCN1CCC(C2CCCC2)CC1 ZINC000608502405 355829930 /nfs/dbraw/zinc/82/99/30/355829930.db2.gz KADACNRERTYDJJ-UHFFFAOYSA-N 0 3 249.320 3.841 20 0 BHADHN CC(C)Oc1ccccc1CN1CCC(C)(C)C1 ZINC000608508631 355830971 /nfs/dbraw/zinc/83/09/71/355830971.db2.gz AFQFJXPSSNKFFD-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN CC[C@H]1CN(C/C=C\c2ccccc2)CCS1 ZINC000608510583 355833396 /nfs/dbraw/zinc/83/33/96/355833396.db2.gz JKFJMEMUQLZFBW-AJHXJQRKSA-N 0 3 247.407 3.527 20 0 BHADHN CC[C@H]1CN(C/C=C/c2ccccc2)CCS1 ZINC000608510584 355833343 /nfs/dbraw/zinc/83/33/43/355833343.db2.gz JKFJMEMUQLZFBW-PPYMECGQSA-N 0 3 247.407 3.527 20 0 BHADHN CC[C@@H]1CN(C/C=C/c2ccccc2)CCS1 ZINC000608510585 355833386 /nfs/dbraw/zinc/83/33/86/355833386.db2.gz JKFJMEMUQLZFBW-RZIFZGNASA-N 0 3 247.407 3.527 20 0 BHADHN CC[C@@H]1CN(C/C=C\c2ccccc2)CCS1 ZINC000608510586 355833612 /nfs/dbraw/zinc/83/36/12/355833612.db2.gz JKFJMEMUQLZFBW-WUKHSURWSA-N 0 3 247.407 3.527 20 0 BHADHN CCSCCN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000610505816 357958193 /nfs/dbraw/zinc/95/81/93/357958193.db2.gz XRFMFQHBPFLXPT-AWEZNQCLSA-N 0 3 249.423 3.823 20 0 BHADHN CCSCCN1CC(C)(C)[C@H]1c1ccccc1 ZINC000610505817 357958322 /nfs/dbraw/zinc/95/83/22/357958322.db2.gz XRFMFQHBPFLXPT-CQSZACIVSA-N 0 3 249.423 3.823 20 0 BHADHN CSCCNCc1cc2cc(C)c(C)cc2o1 ZINC000610517177 357966186 /nfs/dbraw/zinc/96/61/86/357966186.db2.gz QPOKXGBQIQCEAG-UHFFFAOYSA-N 0 3 249.379 3.502 20 0 BHADHN CCN(CCSC)Cc1cc2ccccc2o1 ZINC000610605467 358011027 /nfs/dbraw/zinc/01/10/27/358011027.db2.gz IVTHLMPSCGKNTD-UHFFFAOYSA-N 0 3 249.379 3.618 20 0 BHADHN C[C@H](c1ccccc1F)N1CCC[C@H](C)C1 ZINC000613315275 363099637 /nfs/dbraw/zinc/09/96/37/363099637.db2.gz KEVZAHDNFNWHJO-NWDGAFQWSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@H](c1ccccc1F)N1CCC[C@@H](C)C1 ZINC000613315276 363100037 /nfs/dbraw/zinc/10/00/37/363100037.db2.gz KEVZAHDNFNWHJO-VXGBXAGGSA-N 0 3 221.319 3.619 20 0 BHADHN CC(C)Oc1cccc(CN2CCC(C)CC2)c1 ZINC000613329813 363110504 /nfs/dbraw/zinc/11/05/04/363110504.db2.gz XGWSQEWCOPVNJY-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN C[C@@H](c1ccccc1F)N1C2CCC1CC2 ZINC000613402637 363175747 /nfs/dbraw/zinc/17/57/47/363175747.db2.gz GPOZTTXCUSMHSS-UNXYVOJBSA-N 0 3 219.303 3.514 20 0 BHADHN C[C@H](c1ccccc1F)N1C2CCC1CC2 ZINC000613402653 363175882 /nfs/dbraw/zinc/17/58/82/363175882.db2.gz GPOZTTXCUSMHSS-VOMCLLRMSA-N 0 3 219.303 3.514 20 0 BHADHN CC(C)Oc1cccc(CN2C3CCC2CC3)c1 ZINC000613402659 363175452 /nfs/dbraw/zinc/17/54/52/363175452.db2.gz GRJYXLQKQDOOHD-UHFFFAOYSA-N 0 3 245.366 3.601 20 0 BHADHN Cc1ccc(CN(CC2CCCC2)C2CC2)o1 ZINC000613443489 363261601 /nfs/dbraw/zinc/26/16/01/363261601.db2.gz KVHGDNIJTLTTQX-UHFFFAOYSA-N 0 3 233.355 3.743 20 0 BHADHN CCCN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000613462355 363370521 /nfs/dbraw/zinc/37/05/21/363370521.db2.gz NQXDFBOASCSGAZ-UHFFFAOYSA-N 0 3 232.154 3.835 20 0 BHADHN CC(C)CCN(C)[C@H](C)c1ccccc1F ZINC000613464319 363368746 /nfs/dbraw/zinc/36/87/46/363368746.db2.gz BXEOHKBOMHLFHT-GFCCVEGCSA-N 0 3 223.335 3.865 20 0 BHADHN CC(C)CCN(C)[C@@H](C)c1ccccc1F ZINC000613464322 363368899 /nfs/dbraw/zinc/36/88/99/363368899.db2.gz BXEOHKBOMHLFHT-LBPRGKRZSA-N 0 3 223.335 3.865 20 0 BHADHN CCCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000613467714 363383218 /nfs/dbraw/zinc/38/32/18/363383218.db2.gz WUUATGBEFVVDLC-UHFFFAOYSA-N 0 3 239.309 3.729 20 0 BHADHN CC(C)=CCN(Cc1ccco1)C1CCCC1 ZINC000613469394 363382983 /nfs/dbraw/zinc/38/29/83/363382983.db2.gz BPBLEVFZIMDNAP-UHFFFAOYSA-N 0 3 233.355 3.990 20 0 BHADHN CN(Cc1ccc(Cl)cc1Cl)CC1CC1 ZINC000613475485 363453018 /nfs/dbraw/zinc/45/30/18/363453018.db2.gz ATUSIISJKXEKNS-UHFFFAOYSA-N 0 3 244.165 3.835 20 0 BHADHN CC(C)=CCN(Cc1cccc(F)c1)C1CC1 ZINC000613482771 363459291 /nfs/dbraw/zinc/45/92/91/363459291.db2.gz JVCGGCOAIGIHSM-UHFFFAOYSA-N 0 3 233.330 3.756 20 0 BHADHN CCOc1ccccc1CN(C)CCC(C)C ZINC000613484096 363454365 /nfs/dbraw/zinc/45/43/65/363454365.db2.gz HHTBMEXYHPUSJT-UHFFFAOYSA-N 0 3 235.371 3.563 20 0 BHADHN CC(C)CN(C)[C@H](C)c1ccccc1Cl ZINC000613484734 363455578 /nfs/dbraw/zinc/45/55/78/363455578.db2.gz MIPUQUJAPYMHQE-LLVKDONJSA-N 0 3 225.763 3.989 20 0 BHADHN CC(C)CN(C)[C@@H](C)c1ccccc1Cl ZINC000613484740 363455513 /nfs/dbraw/zinc/45/55/13/363455513.db2.gz MIPUQUJAPYMHQE-NSHDSACASA-N 0 3 225.763 3.989 20 0 BHADHN COc1ccccc1CN(CCC(C)C)C1CC1 ZINC000613485602 363454842 /nfs/dbraw/zinc/45/48/42/363454842.db2.gz HUEXVOXLBBMMLO-UHFFFAOYSA-N 0 3 247.382 3.706 20 0 BHADHN CCC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000613503046 363465926 /nfs/dbraw/zinc/46/59/26/363465926.db2.gz AAYRTOCXAVCLLE-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN CCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000613503090 363466068 /nfs/dbraw/zinc/46/60/68/363466068.db2.gz MSDFSDDWBHRJMA-UHFFFAOYSA-N 0 3 237.774 3.962 20 0 BHADHN CCC1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000613503197 363465291 /nfs/dbraw/zinc/46/52/91/363465291.db2.gz YHZCAZOFOCTDCL-UHFFFAOYSA-N 0 3 247.382 3.626 20 0 BHADHN CC(C)=CCN1CCC[C@H]1c1cccc(F)c1 ZINC000613560569 363485781 /nfs/dbraw/zinc/48/57/81/363485781.db2.gz FVKXHBVPFQSTPW-HNNXBMFYSA-N 0 3 233.330 3.929 20 0 BHADHN CC(C)=CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000613560577 363485764 /nfs/dbraw/zinc/48/57/64/363485764.db2.gz FVKXHBVPFQSTPW-OAHLLOKOSA-N 0 3 233.330 3.929 20 0 BHADHN CC(C)=CCN(C)CCCOc1ccccc1C ZINC000613565722 363496582 /nfs/dbraw/zinc/49/65/82/363496582.db2.gz UZCKBDGLGHWFCS-UHFFFAOYSA-N 0 3 247.382 3.662 20 0 BHADHN C[C@H](N(C)Cc1cc(F)ccc1F)C(C)(C)C ZINC000613599248 363531146 /nfs/dbraw/zinc/53/11/46/363531146.db2.gz MOUNXLXRMADXNN-JTQLQIEISA-N 0 3 241.325 3.831 20 0 BHADHN C[C@@H](N(C)Cc1cc(F)ccc1F)C(C)(C)C ZINC000613599251 363530522 /nfs/dbraw/zinc/53/05/22/363530522.db2.gz MOUNXLXRMADXNN-SNVBAGLBSA-N 0 3 241.325 3.831 20 0 BHADHN CC(C)Oc1ccccc1CN1CCC[C@H](C)C1 ZINC000615084993 364470380 /nfs/dbraw/zinc/47/03/80/364470380.db2.gz XBKHQOAPCJSWEL-AWEZNQCLSA-N 0 3 247.382 3.706 20 0 BHADHN CC(C)Oc1ccccc1CN1CCC[C@@H](C)C1 ZINC000615084994 364469829 /nfs/dbraw/zinc/46/98/29/364469829.db2.gz XBKHQOAPCJSWEL-CQSZACIVSA-N 0 3 247.382 3.706 20 0 BHADHN CC(C)CCN(C)Cc1ccccc1OC(C)C ZINC000615098072 364477274 /nfs/dbraw/zinc/47/72/74/364477274.db2.gz PJBCDYDPZGFUIT-UHFFFAOYSA-N 0 3 249.398 3.952 20 0 BHADHN CCN(CCOCCC(C)C)Cc1ccccc1 ZINC000615340112 364699949 /nfs/dbraw/zinc/69/99/49/364699949.db2.gz ZPSJBTMXOGBTEI-UHFFFAOYSA-N 0 3 249.398 3.571 20 0 BHADHN CCCCOCCN(CC)Cc1ccccc1C ZINC000615346256 388940574 /nfs/dbraw/zinc/94/05/74/388940574.db2.gz FPFILUQRQJEQMH-UHFFFAOYSA-N 0 3 249.398 3.634 20 0 BHADHN CC(C)CCOCCN(C)[C@@H](C)c1ccccc1 ZINC000615454049 367903791 /nfs/dbraw/zinc/90/37/91/367903791.db2.gz QDIMBJNVPXXZJR-HNNXBMFYSA-N 0 3 249.398 3.742 20 0 BHADHN CC(C)CCOCCN(C)[C@H](C)c1ccccc1 ZINC000615454050 367903854 /nfs/dbraw/zinc/90/38/54/367903854.db2.gz QDIMBJNVPXXZJR-OAHLLOKOSA-N 0 3 249.398 3.742 20 0 BHADHN C[C@H](c1cccc(F)c1)N1CCC[C@H](C)C1 ZINC000615454343 367905052 /nfs/dbraw/zinc/90/50/52/367905052.db2.gz QDBZCBNBJCWTBW-NWDGAFQWSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@H](c1cccc(F)c1)N1CCC[C@@H](C)C1 ZINC000615454344 367905462 /nfs/dbraw/zinc/90/54/62/367905462.db2.gz QDBZCBNBJCWTBW-VXGBXAGGSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@@H](c1cccc(F)c1)N1C2CCC1CC2 ZINC000615455471 367905379 /nfs/dbraw/zinc/90/53/79/367905379.db2.gz PODLXGVXOQUCOT-FNBIGBAISA-N 0 3 219.303 3.514 20 0 BHADHN C[C@H](c1cccc(F)c1)N1C2CCC1CC2 ZINC000615455475 367904451 /nfs/dbraw/zinc/90/44/51/367904451.db2.gz PODLXGVXOQUCOT-GWMXKSKGSA-N 0 3 219.303 3.514 20 0 BHADHN CCCCOCCN(C)[C@@H](C)c1ccccc1C ZINC000615462941 367961061 /nfs/dbraw/zinc/96/10/61/367961061.db2.gz LEDMICVLOTXKCJ-HNNXBMFYSA-N 0 3 249.398 3.805 20 0 BHADHN Cc1ccccc1[C@@H](C)N(C)C[C@@H]1CCCCO1 ZINC000615463312 367964453 /nfs/dbraw/zinc/96/44/53/367964453.db2.gz ZGBYWZZCEZEXCD-CABCVRRESA-N 0 3 247.382 3.557 20 0 BHADHN Cc1ccccc1[C@H](C)N(C)C[C@@H]1CCCCO1 ZINC000615463313 367964083 /nfs/dbraw/zinc/96/40/83/367964083.db2.gz ZGBYWZZCEZEXCD-GJZGRUSLSA-N 0 3 247.382 3.557 20 0 BHADHN Cc1ccccc1[C@@H](C)N(C)C[C@H]1CCCCO1 ZINC000615463315 367964250 /nfs/dbraw/zinc/96/42/50/367964250.db2.gz ZGBYWZZCEZEXCD-HUUCEWRRSA-N 0 3 247.382 3.557 20 0 BHADHN Cc1ccccc1[C@H](C)N(C)C[C@H]1CCCCO1 ZINC000615463316 367964291 /nfs/dbraw/zinc/96/42/91/367964291.db2.gz ZGBYWZZCEZEXCD-LSDHHAIUSA-N 0 3 247.382 3.557 20 0 BHADHN Cc1ccc([C@H](C)N(C)CCOC(C)C)c(C)c1 ZINC000615464021 367963104 /nfs/dbraw/zinc/96/31/04/367963104.db2.gz QSVBAHWFLHOFAG-HNNXBMFYSA-N 0 3 249.398 3.721 20 0 BHADHN Cc1ccc([C@@H](C)N(C)CCOC(C)C)c(C)c1 ZINC000615464023 367962864 /nfs/dbraw/zinc/96/28/64/367962864.db2.gz QSVBAHWFLHOFAG-OAHLLOKOSA-N 0 3 249.398 3.721 20 0 BHADHN CSCCN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000617301779 350708538 /nfs/dbraw/zinc/70/85/38/350708538.db2.gz DPGPMGPVPUEZPN-LLVKDONJSA-N 0 3 249.379 3.755 20 0 BHADHN CSCCN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000617301780 350708813 /nfs/dbraw/zinc/70/88/13/350708813.db2.gz DPGPMGPVPUEZPN-NSHDSACASA-N 0 3 249.379 3.755 20 0 BHADHN CC1(C)C[C@@H]1NCc1ccc(-c2ccccc2)o1 ZINC000618467939 369149601 /nfs/dbraw/zinc/14/96/01/369149601.db2.gz AIZOOMVHWBCFEW-HNNXBMFYSA-N 0 3 241.334 3.835 20 0 BHADHN CC1(C)C[C@H]1NCc1ccc(-c2ccccc2)o1 ZINC000618467940 369150026 /nfs/dbraw/zinc/15/00/26/369150026.db2.gz AIZOOMVHWBCFEW-OAHLLOKOSA-N 0 3 241.334 3.835 20 0 BHADHN Cc1ccc(CN(C)CCOC(C)(C)C)c(C)c1 ZINC000619971451 369644368 /nfs/dbraw/zinc/64/43/68/369644368.db2.gz YVQFAYRMPWCDHW-UHFFFAOYSA-N 0 3 249.398 3.550 20 0 BHADHN Cc1ccc(CN(C)Cc2ccccc2C)s1 ZINC000620235073 369779106 /nfs/dbraw/zinc/77/91/06/369779106.db2.gz WNGCTTRTBUCXLX-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN Cc1ccc(CN(C)Cc2cccc(C)c2)s1 ZINC000620235652 369779185 /nfs/dbraw/zinc/77/91/85/369779185.db2.gz LHMMXDNZNXYUDP-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN Cc1cccc(SCCN2CCCCC2)c1 ZINC000620681047 344459297 /nfs/dbraw/zinc/45/92/97/344459297.db2.gz QKAVYDMXEUNTRL-UHFFFAOYSA-N 0 3 235.396 3.573 20 0 BHADHN CCCCOCCNCc1ccc(CCC)cc1 ZINC000620761917 369994588 /nfs/dbraw/zinc/99/45/88/369994588.db2.gz FTMBMIGGVHXYNO-UHFFFAOYSA-N 0 3 249.398 3.545 20 0 BHADHN CCC(CC)N(Cc1ccccc1F)C1CC1 ZINC000620803435 388650988 /nfs/dbraw/zinc/65/09/88/388650988.db2.gz GYNHDKKHPZNCGS-UHFFFAOYSA-N 0 3 235.346 3.979 20 0 BHADHN CC[C@H](CNCc1ccc(C)o1)c1ccccc1 ZINC000620879475 370033355 /nfs/dbraw/zinc/03/33/55/370033355.db2.gz OTXBTHDVQBPOAY-CQSZACIVSA-N 0 3 243.350 3.871 20 0 BHADHN Cc1ccc(CCCNCc2ccco2)c(C)c1 ZINC000620879516 370032960 /nfs/dbraw/zinc/03/29/60/370032960.db2.gz HZFNLVKXAYVONB-UHFFFAOYSA-N 0 3 243.350 3.619 20 0 BHADHN C[C@H](N(C)Cc1cncc(Cl)c1)C(C)(C)C ZINC000621246730 370181925 /nfs/dbraw/zinc/18/19/25/370181925.db2.gz PYTAOYVQWRCMPH-JTQLQIEISA-N 0 3 240.778 3.601 20 0 BHADHN C[C@@H](N(C)Cc1cncc(Cl)c1)C(C)(C)C ZINC000621246731 370181519 /nfs/dbraw/zinc/18/15/19/370181519.db2.gz PYTAOYVQWRCMPH-SNVBAGLBSA-N 0 3 240.778 3.601 20 0 BHADHN CC[C@@H](C)CN(CC)Cc1cncc(Cl)c1 ZINC000621261214 350226801 /nfs/dbraw/zinc/22/68/01/350226801.db2.gz ILEGMJKOLNUXDV-LLVKDONJSA-N 0 3 240.778 3.603 20 0 BHADHN CC[C@H](C)CN(CC)Cc1cncc(Cl)c1 ZINC000621261215 350226690 /nfs/dbraw/zinc/22/66/90/350226690.db2.gz ILEGMJKOLNUXDV-NSHDSACASA-N 0 3 240.778 3.603 20 0 BHADHN CCCN(CC=C(C)C)Cc1ccc(OC)cc1 ZINC000621292773 370218721 /nfs/dbraw/zinc/21/87/21/370218721.db2.gz RYDVFTAHISJCIL-UHFFFAOYSA-N 0 3 247.382 3.873 20 0 BHADHN CCN(Cc1cncc(Cl)c1)CC(C)(C)C ZINC000621296440 370223484 /nfs/dbraw/zinc/22/34/84/370223484.db2.gz SPNYZYCWXXZUEK-UHFFFAOYSA-N 0 3 240.778 3.603 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1cncc(Cl)c1 ZINC000621296492 370223750 /nfs/dbraw/zinc/22/37/50/370223750.db2.gz VDCNKUQUPOEENP-LLVKDONJSA-N 0 3 240.778 3.746 20 0 BHADHN CCCC[C@H](C)N(C)Cc1cncc(Cl)c1 ZINC000621296493 370223692 /nfs/dbraw/zinc/22/36/92/370223692.db2.gz VDCNKUQUPOEENP-NSHDSACASA-N 0 3 240.778 3.746 20 0 BHADHN CC[C@H](C)N(CC)Cc1ccc(F)cc1F ZINC000621309324 342749732 /nfs/dbraw/zinc/74/97/32/342749732.db2.gz BZPNKFBPXLESKC-JTQLQIEISA-N 0 3 227.298 3.585 20 0 BHADHN CC[C@@H](C)N(CC)Cc1ccc(F)cc1F ZINC000621309325 342749724 /nfs/dbraw/zinc/74/97/24/342749724.db2.gz BZPNKFBPXLESKC-SNVBAGLBSA-N 0 3 227.298 3.585 20 0 BHADHN CN(CCC(C)(C)C)Cc1cncc(Cl)c1 ZINC000621312382 370237338 /nfs/dbraw/zinc/23/73/38/370237338.db2.gz SNHSWFZGIYUPQN-UHFFFAOYSA-N 0 3 240.778 3.603 20 0 BHADHN Cc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)ccn1 ZINC000621322890 370250700 /nfs/dbraw/zinc/25/07/00/370250700.db2.gz LXFPKOBHPQBFAB-HOTGVXAUSA-N 0 3 244.382 3.545 20 0 BHADHN CCCc1ccc(CNCc2ccccc2)s1 ZINC000621325525 342866512 /nfs/dbraw/zinc/86/65/12/342866512.db2.gz ABGIIUOQVZBQFI-UHFFFAOYSA-N 0 3 245.391 3.990 20 0 BHADHN CCCc1ccc(CNC2CC(F)(F)C2)s1 ZINC000621349218 370285195 /nfs/dbraw/zinc/28/51/95/370285195.db2.gz KULGPIAJAYIZTP-UHFFFAOYSA-N 0 3 245.338 3.588 20 0 BHADHN C[C@@H](NCC[C@@H]1CC1(F)F)c1ccccc1F ZINC000621376773 370318428 /nfs/dbraw/zinc/31/84/28/370318428.db2.gz JPNXCXZUOXBNBU-NXEZZACHSA-N 0 3 243.272 3.522 20 0 BHADHN C[C@H](NCC[C@H]1CC1(F)F)c1ccccc1F ZINC000621376774 370318535 /nfs/dbraw/zinc/31/85/35/370318535.db2.gz JPNXCXZUOXBNBU-UWVGGRQHSA-N 0 3 243.272 3.522 20 0 BHADHN C[C@H](NCC[C@@H]1CC1(F)F)c1ccccc1F ZINC000621376775 370319220 /nfs/dbraw/zinc/31/92/20/370319220.db2.gz JPNXCXZUOXBNBU-VHSXEESVSA-N 0 3 243.272 3.522 20 0 BHADHN C[C@@H](NCC[C@H]1CC1(F)F)c1ccccc1F ZINC000621376776 370318601 /nfs/dbraw/zinc/31/86/01/370318601.db2.gz JPNXCXZUOXBNBU-ZJUUUORDSA-N 0 3 243.272 3.522 20 0 BHADHN CC1CC(CNCc2cscc2Cl)C1 ZINC000621383419 370327352 /nfs/dbraw/zinc/32/73/52/370327352.db2.gz GHIBUEBFFHFPPL-UHFFFAOYSA-N 0 3 229.776 3.537 20 0 BHADHN CC1CC(CNCc2sccc2Cl)C1 ZINC000621384339 370328186 /nfs/dbraw/zinc/32/81/86/370328186.db2.gz CEPASUPREYPSMG-UHFFFAOYSA-N 0 3 229.776 3.537 20 0 BHADHN CC1CC(CNCc2ccsc2Cl)C1 ZINC000621384725 370329454 /nfs/dbraw/zinc/32/94/54/370329454.db2.gz QSCWTLXUZRNHDF-UHFFFAOYSA-N 0 3 229.776 3.537 20 0 BHADHN C[C@H]1c2ccccc2CN1CCCOC(C)(C)C ZINC000621398790 370336072 /nfs/dbraw/zinc/33/60/72/370336072.db2.gz REZGTUUUNSAWDJ-ZDUSSCGKSA-N 0 3 247.382 3.768 20 0 BHADHN C[C@H]1c2ccccc2CN1CC1=CCCC1 ZINC000621400668 370338702 /nfs/dbraw/zinc/33/87/02/370338702.db2.gz OKJNTPUSFMABAX-LBPRGKRZSA-N 0 3 213.324 3.674 20 0 BHADHN CCCCN(Cc1ccccc1F)C(C)C ZINC000621731786 370485230 /nfs/dbraw/zinc/48/52/30/370485230.db2.gz ORHWJIBNCRQMDI-UHFFFAOYSA-N 0 3 223.335 3.836 20 0 BHADHN CC1(c2ccccc2)CN(Cc2cccs2)C1 ZINC000621733975 370485205 /nfs/dbraw/zinc/48/52/05/370485205.db2.gz CAGKBZODXIJMEE-UHFFFAOYSA-N 0 3 243.375 3.522 20 0 BHADHN CCc1ccc([C@@H](C)NCC[C@@H]2CC2(F)F)o1 ZINC000621767817 370509433 /nfs/dbraw/zinc/50/94/33/370509433.db2.gz JPYKZDBYSDFJEH-NXEZZACHSA-N 0 3 243.297 3.538 20 0 BHADHN CCc1ccc([C@H](C)NCC[C@H]2CC2(F)F)o1 ZINC000621767818 370509474 /nfs/dbraw/zinc/50/94/74/370509474.db2.gz JPYKZDBYSDFJEH-UWVGGRQHSA-N 0 3 243.297 3.538 20 0 BHADHN CCc1ccc([C@H](C)NCC[C@@H]2CC2(F)F)o1 ZINC000621767819 370509389 /nfs/dbraw/zinc/50/93/89/370509389.db2.gz JPYKZDBYSDFJEH-VHSXEESVSA-N 0 3 243.297 3.538 20 0 BHADHN CCc1ccc([C@@H](C)NCC[C@H]2CC2(F)F)o1 ZINC000621767820 370509483 /nfs/dbraw/zinc/50/94/83/370509483.db2.gz JPYKZDBYSDFJEH-ZJUUUORDSA-N 0 3 243.297 3.538 20 0 BHADHN Cc1cc([C@H](C)NCC[C@@H]2CC2(F)F)oc1C ZINC000621768999 370511612 /nfs/dbraw/zinc/51/16/12/370511612.db2.gz XIGLUSSXNLCUDM-GXSJLCMTSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@@H](C)NCC[C@H]2CC2(F)F)oc1C ZINC000621769000 370512032 /nfs/dbraw/zinc/51/20/32/370512032.db2.gz XIGLUSSXNLCUDM-KOLCDFICSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@@H](C)NCC[C@@H]2CC2(F)F)oc1C ZINC000621769001 370512016 /nfs/dbraw/zinc/51/20/16/370512016.db2.gz XIGLUSSXNLCUDM-MWLCHTKSSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@H](C)NCC[C@H]2CC2(F)F)oc1C ZINC000621769002 370511824 /nfs/dbraw/zinc/51/18/24/370511824.db2.gz XIGLUSSXNLCUDM-ONGXEEELSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@@H](C)NCC2CC(C)C2)oc1C ZINC000621772075 370514876 /nfs/dbraw/zinc/51/48/76/370514876.db2.gz XCZPUQNWTIUSDT-DMLGSKKGSA-N 0 3 221.344 3.593 20 0 BHADHN Cc1cc([C@H](C)NCC2CC(C)C2)oc1C ZINC000621772076 370514838 /nfs/dbraw/zinc/51/48/38/370514838.db2.gz XCZPUQNWTIUSDT-QDYJBQRPSA-N 0 3 221.344 3.593 20 0 BHADHN CCCc1ccc(CNCCOC(C)(C)C)cc1 ZINC000621813809 370546589 /nfs/dbraw/zinc/54/65/89/370546589.db2.gz FJBDKDPHDOQWPQ-UHFFFAOYSA-N 0 3 249.398 3.544 20 0 BHADHN Clc1ccccc1CCN1C2CCC1CC2 ZINC000622020960 370667473 /nfs/dbraw/zinc/66/74/73/370667473.db2.gz WOUGVOYGMNNHQX-UHFFFAOYSA-N 0 3 235.758 3.509 20 0 BHADHN CC[C@H](c1ccccc1)N1C[C@H](C)OC(C)(C)C1 ZINC000622260968 370808217 /nfs/dbraw/zinc/80/82/17/370808217.db2.gz XTPORUWDGMFMBL-DZGCQCFKSA-N 0 3 247.382 3.637 20 0 BHADHN CC[C@H](c1ccccc1)N1C[C@@H](C)OC(C)(C)C1 ZINC000622260969 370808190 /nfs/dbraw/zinc/80/81/90/370808190.db2.gz XTPORUWDGMFMBL-UKRRQHHQSA-N 0 3 247.382 3.637 20 0 BHADHN CC[C@@H](c1ccccc1)N1C[C@H](C)OC(C)(C)C1 ZINC000622260970 370808605 /nfs/dbraw/zinc/80/86/05/370808605.db2.gz XTPORUWDGMFMBL-ZFWWWQNUSA-N 0 3 247.382 3.637 20 0 BHADHN CCN(CCC(F)(F)F)Cc1cccc(C)c1 ZINC000623120656 351051873 /nfs/dbraw/zinc/05/18/73/351051873.db2.gz FZVKBEAAKZVWFF-UHFFFAOYSA-N 0 3 245.288 3.769 20 0 BHADHN CCN(CCC(F)(F)F)Cc1ccc(C)cc1 ZINC000623121910 351053248 /nfs/dbraw/zinc/05/32/48/351053248.db2.gz SSUPCCMNWIFBJM-UHFFFAOYSA-N 0 3 245.288 3.769 20 0 BHADHN CCN(Cc1ccccc1)[C@@H](C)c1ccncc1 ZINC000623194237 354832556 /nfs/dbraw/zinc/83/25/56/354832556.db2.gz ALRFTOBWCBPMLA-AWEZNQCLSA-N 0 3 240.350 3.665 20 0 BHADHN CCN(Cc1ccccc1)[C@H](C)c1ccncc1 ZINC000623194238 354832906 /nfs/dbraw/zinc/83/29/06/354832906.db2.gz ALRFTOBWCBPMLA-CQSZACIVSA-N 0 3 240.350 3.665 20 0 BHADHN CCCCNCc1csc(C(F)(F)F)c1 ZINC000623336161 356721548 /nfs/dbraw/zinc/72/15/48/356721548.db2.gz ZFLAROOHRZXNSS-UHFFFAOYSA-N 0 3 237.290 3.657 20 0 BHADHN CC(C)(C)NCc1csc(C(F)(F)F)c1 ZINC000623351143 356773861 /nfs/dbraw/zinc/77/38/61/356773861.db2.gz CXLCUEUIXQNYFW-UHFFFAOYSA-N 0 3 237.290 3.655 20 0 BHADHN CC1(C)C[C@H]1NCc1ccsc1C(F)(F)F ZINC000623371407 356879932 /nfs/dbraw/zinc/87/99/32/356879932.db2.gz AWGUWHIFQIEXFK-MRVPVSSYSA-N 0 3 249.301 3.655 20 0 BHADHN CC1(C)C[C@H]1NCc1csc(C(F)(F)F)c1 ZINC000623371737 356881087 /nfs/dbraw/zinc/88/10/87/356881087.db2.gz PRFRKCXRBIBTSU-MRVPVSSYSA-N 0 3 249.301 3.655 20 0 BHADHN CC1(C)C[C@@H]1NCc1csc(C(F)(F)F)c1 ZINC000623371738 356880853 /nfs/dbraw/zinc/88/08/53/356880853.db2.gz PRFRKCXRBIBTSU-QMMMGPOBSA-N 0 3 249.301 3.655 20 0 BHADHN CCC(F)(F)C(C)(C)CNCc1ccoc1C ZINC000623372471 356880836 /nfs/dbraw/zinc/88/08/36/356880836.db2.gz VWKAPFVBSGNYFP-UHFFFAOYSA-N 0 3 245.313 3.749 20 0 BHADHN COCCN(C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000623433956 359087557 /nfs/dbraw/zinc/08/75/57/359087557.db2.gz UZJKGIQVOYHXOF-CYBMUJFWSA-N 0 3 249.398 3.623 20 0 BHADHN COCCN(C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000623433957 359087331 /nfs/dbraw/zinc/08/73/31/359087331.db2.gz UZJKGIQVOYHXOF-ZDUSSCGKSA-N 0 3 249.398 3.623 20 0 BHADHN CC1CC(NCc2csc(C(F)(F)F)c2)C1 ZINC000623438534 359331785 /nfs/dbraw/zinc/33/17/85/359331785.db2.gz CNPMATUHKVAROV-UHFFFAOYSA-N 0 3 249.301 3.655 20 0 BHADHN CC1(CNCc2csc(C(F)(F)F)c2)CC1 ZINC000623439317 359332391 /nfs/dbraw/zinc/33/23/91/359332391.db2.gz FDKGJTUEEMDPLH-UHFFFAOYSA-N 0 3 249.301 3.657 20 0 BHADHN FC(F)(F)c1cc(CNC2CC=CC2)cs1 ZINC000623447208 359339440 /nfs/dbraw/zinc/33/94/40/359339440.db2.gz JGDNUWWWVGVLKF-UHFFFAOYSA-N 0 3 247.285 3.575 20 0 BHADHN CC1(NCc2csc(C(F)(F)F)c2)CCC1 ZINC000623472267 360048617 /nfs/dbraw/zinc/04/86/17/360048617.db2.gz KCWNSEDVKARFST-UHFFFAOYSA-N 0 3 249.301 3.799 20 0 BHADHN CC(C)=CCNCc1csc(C(F)(F)F)c1 ZINC000623506012 362929780 /nfs/dbraw/zinc/92/97/80/362929780.db2.gz ZWQFSJNKGZVEEK-UHFFFAOYSA-N 0 3 249.301 3.823 20 0 BHADHN C[C@@H]1CC[C@@H]1NCc1csc(C(F)(F)F)c1 ZINC000623524127 362944839 /nfs/dbraw/zinc/94/48/39/362944839.db2.gz FAGXRCGXGVVDIU-APPZFPTMSA-N 0 3 249.301 3.655 20 0 BHADHN C[C@H]1CC[C@@H]1NCc1csc(C(F)(F)F)c1 ZINC000623524128 362944496 /nfs/dbraw/zinc/94/44/96/362944496.db2.gz FAGXRCGXGVVDIU-CBAPKCEASA-N 0 3 249.301 3.655 20 0 BHADHN C[C@H]1CC[C@H]1NCc1csc(C(F)(F)F)c1 ZINC000623524129 362944570 /nfs/dbraw/zinc/94/45/70/362944570.db2.gz FAGXRCGXGVVDIU-IONNQARKSA-N 0 3 249.301 3.655 20 0 BHADHN C[C@@H]1CC[C@H]1NCc1csc(C(F)(F)F)c1 ZINC000623524130 362944994 /nfs/dbraw/zinc/94/49/94/362944994.db2.gz FAGXRCGXGVVDIU-VXNVDRBHSA-N 0 3 249.301 3.655 20 0 BHADHN CCC(F)(F)C(C)(C)CNCc1occc1C ZINC000623530693 362948294 /nfs/dbraw/zinc/94/82/94/362948294.db2.gz JCEZOIDGKQIIFA-UHFFFAOYSA-N 0 3 245.313 3.749 20 0 BHADHN CCC1(NCc2csc(C(F)(F)F)c2)CC1 ZINC000623536743 362955292 /nfs/dbraw/zinc/95/52/92/362955292.db2.gz AXYDAOVVOFENFK-UHFFFAOYSA-N 0 3 249.301 3.799 20 0 BHADHN CC/C=C\CNCc1csc(C(F)(F)F)c1 ZINC000623537985 362957184 /nfs/dbraw/zinc/95/71/84/362957184.db2.gz PZSRRSYQSHSUQV-ARJAWSKDSA-N 0 3 249.301 3.823 20 0 BHADHN CC/C=C/CNCc1csc(C(F)(F)F)c1 ZINC000623537986 362957085 /nfs/dbraw/zinc/95/70/85/362957085.db2.gz PZSRRSYQSHSUQV-ONEGZZNKSA-N 0 3 249.301 3.823 20 0 BHADHN CC/C=C\CNCc1ccsc1C(F)(F)F ZINC000623538010 362956905 /nfs/dbraw/zinc/95/69/05/362956905.db2.gz RKOAULMDMXQEFZ-ARJAWSKDSA-N 0 3 249.301 3.823 20 0 BHADHN CC/C=C/CNCc1ccsc1C(F)(F)F ZINC000623538011 362957271 /nfs/dbraw/zinc/95/72/71/362957271.db2.gz RKOAULMDMXQEFZ-ONEGZZNKSA-N 0 3 249.301 3.823 20 0 BHADHN CC[C@@H](C)c1cccc(NC2CCN(C)CC2)c1 ZINC000623605346 363044716 /nfs/dbraw/zinc/04/47/16/363044716.db2.gz CUHITCHDOYVSNN-CYBMUJFWSA-N 0 3 246.398 3.706 20 0 BHADHN CC[C@H](C)c1cccc(NC2CCN(C)CC2)c1 ZINC000623605347 363044500 /nfs/dbraw/zinc/04/45/00/363044500.db2.gz CUHITCHDOYVSNN-ZDUSSCGKSA-N 0 3 246.398 3.706 20 0 BHADHN CCC(F)(F)C(C)(C)CNCc1ccc(C)o1 ZINC000623696504 369485303 /nfs/dbraw/zinc/48/53/03/369485303.db2.gz GTGXYKAVUUYEDR-UHFFFAOYSA-N 0 3 245.313 3.749 20 0 BHADHN C/C=C\CNCc1cc2ccccc2c(OC)c1 ZINC000623740336 371075888 /nfs/dbraw/zinc/07/58/88/371075888.db2.gz SWOVLUAZGILKHL-ARJAWSKDSA-N 0 3 241.334 3.514 20 0 BHADHN C/C=C/CNCc1cc2ccccc2c(OC)c1 ZINC000623740337 351052330 /nfs/dbraw/zinc/05/23/30/351052330.db2.gz SWOVLUAZGILKHL-ONEGZZNKSA-N 0 3 241.334 3.514 20 0 BHADHN C/C=C\CNCc1cc2ccccc2cc1OC ZINC000623740530 351054463 /nfs/dbraw/zinc/05/44/63/351054463.db2.gz ZTUWZDOYTBRFKU-ARJAWSKDSA-N 0 3 241.334 3.514 20 0 BHADHN C/C=C/CNCc1cc2ccccc2cc1OC ZINC000623740531 351055398 /nfs/dbraw/zinc/05/53/98/351055398.db2.gz ZTUWZDOYTBRFKU-ONEGZZNKSA-N 0 3 241.334 3.514 20 0 BHADHN Clc1ccc(CNC[C@@H]2CCCC23CC3)o1 ZINC000623825090 371113085 /nfs/dbraw/zinc/11/30/85/371113085.db2.gz WPOYRTSMIPQYIT-JTQLQIEISA-N 0 3 239.746 3.603 20 0 BHADHN Clc1ccc(CNC[C@H]2CCCC23CC3)o1 ZINC000623825091 371113120 /nfs/dbraw/zinc/11/31/20/371113120.db2.gz WPOYRTSMIPQYIT-SNVBAGLBSA-N 0 3 239.746 3.603 20 0 BHADHN C[C@@H](NC1CC1)c1ccc(F)cc1C(F)(F)F ZINC000623848881 371125745 /nfs/dbraw/zinc/12/57/45/371125745.db2.gz NYHHEBOWQVFOKT-SSDOTTSWSA-N 0 3 247.235 3.658 20 0 BHADHN C[C@H](NC1CC1)c1ccc(F)cc1C(F)(F)F ZINC000623848882 371125766 /nfs/dbraw/zinc/12/57/66/371125766.db2.gz NYHHEBOWQVFOKT-ZETCQYMHSA-N 0 3 247.235 3.658 20 0 BHADHN CC(C)CCCN[C@@H]1CCCc2scnc21 ZINC000623855787 371129996 /nfs/dbraw/zinc/12/99/96/371129996.db2.gz HYGWAVPKFFGUTN-LLVKDONJSA-N 0 3 238.400 3.546 20 0 BHADHN CC(C)CCCN[C@H]1CCCc2scnc21 ZINC000623855788 371129323 /nfs/dbraw/zinc/12/93/23/371129323.db2.gz HYGWAVPKFFGUTN-NSHDSACASA-N 0 3 238.400 3.546 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@H]1CCCc2scnc21 ZINC000623872460 371136310 /nfs/dbraw/zinc/13/63/10/371136310.db2.gz FNSVSUTULZEHGA-AXFHLTTASA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@H]1CCCc2scnc21 ZINC000623872461 371136171 /nfs/dbraw/zinc/13/61/71/371136171.db2.gz FNSVSUTULZEHGA-DCAQKATOSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@H](C)[C@H](C)N[C@@H]1CCCc2scnc21 ZINC000623872462 371135756 /nfs/dbraw/zinc/13/57/56/371135756.db2.gz FNSVSUTULZEHGA-GARJFASQSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@H](C)[C@@H](C)N[C@@H]1CCCc2scnc21 ZINC000623872463 371135885 /nfs/dbraw/zinc/13/58/85/371135885.db2.gz FNSVSUTULZEHGA-HBNTYKKESA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)(C)CCN[C@H]1CCCc2scnc21 ZINC000623874817 371136886 /nfs/dbraw/zinc/13/68/86/371136886.db2.gz QSFYGHLWVFMIKW-JTQLQIEISA-N 0 3 238.400 3.546 20 0 BHADHN CC(C)(C)CCN[C@@H]1CCCc2scnc21 ZINC000623874818 371137486 /nfs/dbraw/zinc/13/74/86/371137486.db2.gz QSFYGHLWVFMIKW-SNVBAGLBSA-N 0 3 238.400 3.546 20 0 BHADHN CCC(CC)CN[C@@H]1CCCc2scnc21 ZINC000623889063 371141735 /nfs/dbraw/zinc/14/17/35/371141735.db2.gz BSQCOMQHOKLIGN-LLVKDONJSA-N 0 3 238.400 3.546 20 0 BHADHN CCC(CC)CN[C@H]1CCCc2scnc21 ZINC000623889064 371141876 /nfs/dbraw/zinc/14/18/76/371141876.db2.gz BSQCOMQHOKLIGN-NSHDSACASA-N 0 3 238.400 3.546 20 0 BHADHN CCC[C@@H](CC)N[C@@H]1CCCc2scnc21 ZINC000623910986 371151461 /nfs/dbraw/zinc/15/14/61/371151461.db2.gz JQRDVRUAOJWFBR-GHMZBOCLSA-N 0 3 238.400 3.689 20 0 BHADHN CCC[C@@H](CC)N[C@H]1CCCc2scnc21 ZINC000623910987 371151588 /nfs/dbraw/zinc/15/15/88/371151588.db2.gz JQRDVRUAOJWFBR-MNOVXSKESA-N 0 3 238.400 3.689 20 0 BHADHN CCC[C@H](CC)N[C@H]1CCCc2scnc21 ZINC000623910988 371150979 /nfs/dbraw/zinc/15/09/79/371150979.db2.gz JQRDVRUAOJWFBR-QWRGUYRKSA-N 0 3 238.400 3.689 20 0 BHADHN CCC[C@H](CC)N[C@@H]1CCCc2scnc21 ZINC000623910989 371151213 /nfs/dbraw/zinc/15/12/13/371151213.db2.gz JQRDVRUAOJWFBR-WDEREUQCSA-N 0 3 238.400 3.689 20 0 BHADHN Cc1csc([C@H](C)N[C@H]2CC[C@H](C)CC2)n1 ZINC000623912570 371151806 /nfs/dbraw/zinc/15/18/06/371151806.db2.gz NAOSHNCYYNYWQZ-DLOVCJGASA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@@H](C)N[C@H]2CC[C@H](C)CC2)n1 ZINC000623912571 371151119 /nfs/dbraw/zinc/15/11/19/371151119.db2.gz NAOSHNCYYNYWQZ-YUSALJHKSA-N 0 3 238.400 3.681 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1nc(C)cs1 ZINC000623918517 371154006 /nfs/dbraw/zinc/15/40/06/371154006.db2.gz UEHAMLDUNHGPCJ-HOSYDEDBSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1nc(C)cs1 ZINC000623918518 371154598 /nfs/dbraw/zinc/15/45/98/371154598.db2.gz UEHAMLDUNHGPCJ-JBLDHEPKSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000623918519 371153908 /nfs/dbraw/zinc/15/39/08/371153908.db2.gz UEHAMLDUNHGPCJ-NHCYSSNCSA-N 0 3 240.416 3.927 20 0 BHADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000623918520 371153946 /nfs/dbraw/zinc/15/39/46/371153946.db2.gz UEHAMLDUNHGPCJ-UMNHJUIQSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1csc([C@@H](C)NCC2(C(C)C)CC2)n1 ZINC000623919708 491103421 /nfs/dbraw/zinc/10/34/21/491103421.db2.gz MIWBNBUESHSRQZ-LLVKDONJSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@H](C)NCC2(C(C)C)CC2)n1 ZINC000623919709 371154441 /nfs/dbraw/zinc/15/44/41/371154441.db2.gz MIWBNBUESHSRQZ-NSHDSACASA-N 0 3 238.400 3.538 20 0 BHADHN CCCC1(CN[C@H](C)c2nc(C)cs2)CC1 ZINC000623920500 356713935 /nfs/dbraw/zinc/71/39/35/356713935.db2.gz OBDGUZOGRWSOFB-LLVKDONJSA-N 0 3 238.400 3.682 20 0 BHADHN CCCC1(CN[C@@H](C)c2nc(C)cs2)CC1 ZINC000623920501 356714026 /nfs/dbraw/zinc/71/40/26/356714026.db2.gz OBDGUZOGRWSOFB-NSHDSACASA-N 0 3 238.400 3.682 20 0 BHADHN CC(C)C[C@@H](C)N[C@@H]1CCCc2scnc21 ZINC000623923870 371157798 /nfs/dbraw/zinc/15/77/98/371157798.db2.gz NBXHYJQMAHLGTQ-GHMZBOCLSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)C[C@@H](C)N[C@H]1CCCc2scnc21 ZINC000623923871 371157692 /nfs/dbraw/zinc/15/76/92/371157692.db2.gz NBXHYJQMAHLGTQ-MNOVXSKESA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)C[C@H](C)N[C@H]1CCCc2scnc21 ZINC000623923872 371158206 /nfs/dbraw/zinc/15/82/06/371158206.db2.gz NBXHYJQMAHLGTQ-QWRGUYRKSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)C[C@H](C)N[C@@H]1CCCc2scnc21 ZINC000623923873 371157900 /nfs/dbraw/zinc/15/79/00/371157900.db2.gz NBXHYJQMAHLGTQ-WDEREUQCSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@H](C)c1ccc([C@H](C)N[C@@H]2CCOC2)cc1 ZINC000623923908 356785523 /nfs/dbraw/zinc/78/55/23/356785523.db2.gz OAJRHRKPDFLJFX-HEHGZKQESA-N 0 3 247.382 3.640 20 0 BHADHN CC[C@H](C)c1ccc([C@@H](C)N[C@@H]2CCOC2)cc1 ZINC000623923909 356785438 /nfs/dbraw/zinc/78/54/38/356785438.db2.gz OAJRHRKPDFLJFX-WOSRLPQWSA-N 0 3 247.382 3.640 20 0 BHADHN CC[C@H](C)c1ccc([C@H](C)N[C@H]2CCOC2)cc1 ZINC000623923910 356786192 /nfs/dbraw/zinc/78/61/92/356786192.db2.gz OAJRHRKPDFLJFX-XEZPLFJOSA-N 0 3 247.382 3.640 20 0 BHADHN CC[C@H](C)c1ccc([C@@H](C)N[C@H]2CCOC2)cc1 ZINC000623923911 356785877 /nfs/dbraw/zinc/78/58/77/356785877.db2.gz OAJRHRKPDFLJFX-ZENOOKHLSA-N 0 3 247.382 3.640 20 0 BHADHN CC[C@H](NC1(COC)CC1)c1cc(C)ccc1C ZINC000623942528 371170052 /nfs/dbraw/zinc/17/00/52/371170052.db2.gz LVIYQHBEHLPKMK-HNNXBMFYSA-N 0 3 247.382 3.523 20 0 BHADHN CC[C@@H](NC1(COC)CC1)c1cc(C)ccc1C ZINC000623942529 371170322 /nfs/dbraw/zinc/17/03/22/371170322.db2.gz LVIYQHBEHLPKMK-OAHLLOKOSA-N 0 3 247.382 3.523 20 0 BHADHN COCC1(N[C@H](C)c2cccc(C(C)C)c2)CC1 ZINC000623942850 371170172 /nfs/dbraw/zinc/17/01/72/371170172.db2.gz VRSHUBFPNRJDDL-CYBMUJFWSA-N 0 3 247.382 3.640 20 0 BHADHN COCC1(N[C@@H](C)c2cccc(C(C)C)c2)CC1 ZINC000623942851 371170597 /nfs/dbraw/zinc/17/05/97/371170597.db2.gz VRSHUBFPNRJDDL-ZDUSSCGKSA-N 0 3 247.382 3.640 20 0 BHADHN Cc1csc([C@@H](C)NCC(C)(C)C(C)C)n1 ZINC000623966597 398314965 /nfs/dbraw/zinc/31/49/65/398314965.db2.gz XRARTBUXJAGPEC-LLVKDONJSA-N 0 3 240.416 3.784 20 0 BHADHN Cc1csc([C@H](C)NCC(C)(C)C(C)C)n1 ZINC000623966598 398315171 /nfs/dbraw/zinc/31/51/71/398315171.db2.gz XRARTBUXJAGPEC-NSHDSACASA-N 0 3 240.416 3.784 20 0 BHADHN CCC(C)(C)CN[C@H]1CCCc2scnc21 ZINC000623970127 371206865 /nfs/dbraw/zinc/20/68/65/371206865.db2.gz FGORRBBHMAEYEZ-JTQLQIEISA-N 0 3 238.400 3.546 20 0 BHADHN CCC(C)(C)CN[C@@H]1CCCc2scnc21 ZINC000623970128 371206436 /nfs/dbraw/zinc/20/64/36/371206436.db2.gz FGORRBBHMAEYEZ-SNVBAGLBSA-N 0 3 238.400 3.546 20 0 BHADHN Cc1csc([C@H](C)NC[C@@H]2CC[C@@H](C)C2)n1 ZINC000623976529 371211887 /nfs/dbraw/zinc/21/18/87/371211887.db2.gz MUKQBVFYGSNRNS-ADEWGFFLSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@H](C)NC[C@H]2CC[C@H](C)C2)n1 ZINC000623976530 371212284 /nfs/dbraw/zinc/21/22/84/371212284.db2.gz MUKQBVFYGSNRNS-DLOVCJGASA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@H](C)NC[C@H]2CC[C@@H](C)C2)n1 ZINC000623976531 371212115 /nfs/dbraw/zinc/21/21/15/371212115.db2.gz MUKQBVFYGSNRNS-USWWRNFRSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@H](C)NC[C@@H]2CC[C@H](C)C2)n1 ZINC000623976532 371211879 /nfs/dbraw/zinc/21/18/79/371211879.db2.gz MUKQBVFYGSNRNS-ZMLRMANQSA-N 0 3 238.400 3.538 20 0 BHADHN CCC[C@@H](NCCF)c1cc(C)sc1C ZINC000623977088 371212171 /nfs/dbraw/zinc/21/21/71/371212171.db2.gz GGNBUBQBHLRIKZ-GFCCVEGCSA-N 0 3 229.364 3.765 20 0 BHADHN CCC[C@H](NCCF)c1cc(C)sc1C ZINC000623977089 371212234 /nfs/dbraw/zinc/21/22/34/371212234.db2.gz GGNBUBQBHLRIKZ-LBPRGKRZSA-N 0 3 229.364 3.765 20 0 BHADHN Cc1csc([C@H](C)NC[C@H]2CCC[C@H]2C)n1 ZINC000623978410 371213012 /nfs/dbraw/zinc/21/30/12/371213012.db2.gz SHEMMIFEKZVYKL-ADEWGFFLSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@H](C)NC[C@@H]2CCC[C@@H]2C)n1 ZINC000623978411 371212935 /nfs/dbraw/zinc/21/29/35/371212935.db2.gz SHEMMIFEKZVYKL-DLOVCJGASA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@H](C)NC[C@@H]2CCC[C@H]2C)n1 ZINC000623978412 371213058 /nfs/dbraw/zinc/21/30/58/371213058.db2.gz SHEMMIFEKZVYKL-USWWRNFRSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@H](C)NC[C@H]2CCC[C@@H]2C)n1 ZINC000623978413 371213290 /nfs/dbraw/zinc/21/32/90/371213290.db2.gz SHEMMIFEKZVYKL-ZMLRMANQSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@@H](C)NCCCC(C)(F)F)n1 ZINC000623991072 371224683 /nfs/dbraw/zinc/22/46/83/371224683.db2.gz XJARZXZFUQXQSZ-SECBINFHSA-N 0 3 248.342 3.538 20 0 BHADHN Cc1csc([C@H](C)NCCCC(C)(F)F)n1 ZINC000623991073 371224490 /nfs/dbraw/zinc/22/44/90/371224490.db2.gz XJARZXZFUQXQSZ-VIFPVBQESA-N 0 3 248.342 3.538 20 0 BHADHN Cc1csc([C@@H](C)N[C@@H]2C[C@H]2CC(C)C)n1 ZINC000623999254 362958788 /nfs/dbraw/zinc/95/87/88/362958788.db2.gz PBGNBRIFBHVMKV-IJLUTSLNSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@@H]2C[C@H]2CC(C)C)n1 ZINC000623999255 362958245 /nfs/dbraw/zinc/95/82/45/362958245.db2.gz PBGNBRIFBHVMKV-QJPTWQEYSA-N 0 3 238.400 3.537 20 0 BHADHN CC[C@@H](C)c1ccc([C@H](C)N[C@@H]2CCOC2)cc1 ZINC000624004640 371242303 /nfs/dbraw/zinc/24/23/03/371242303.db2.gz OAJRHRKPDFLJFX-DVOMOZLQSA-N 0 3 247.382 3.640 20 0 BHADHN CC[C@@H](C)c1ccc([C@@H](C)N[C@@H]2CCOC2)cc1 ZINC000624004641 371241894 /nfs/dbraw/zinc/24/18/94/371241894.db2.gz OAJRHRKPDFLJFX-XJKCOSOUSA-N 0 3 247.382 3.640 20 0 BHADHN C[C@@H](N[C@@H]1CCCc2scnc21)C(C)(C)C ZINC000624008283 371245006 /nfs/dbraw/zinc/24/50/06/371245006.db2.gz SGNRIMVKGORPES-NXEZZACHSA-N 0 3 238.400 3.545 20 0 BHADHN C[C@@H](N[C@H]1CCCc2scnc21)C(C)(C)C ZINC000624008284 371244480 /nfs/dbraw/zinc/24/44/80/371244480.db2.gz SGNRIMVKGORPES-ZJUUUORDSA-N 0 3 238.400 3.545 20 0 BHADHN Cc1csc([C@@H](C)N[C@H](C)C(C)(C)C)n1 ZINC000624008347 371242913 /nfs/dbraw/zinc/24/29/13/371242913.db2.gz VIJYFQWWINQKJC-NXEZZACHSA-N 0 3 226.389 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@H](C)C(C)(C)C)n1 ZINC000624008348 371242592 /nfs/dbraw/zinc/24/25/92/371242592.db2.gz VIJYFQWWINQKJC-VHSXEESVSA-N 0 3 226.389 3.537 20 0 BHADHN CC[C@@H](C)CCN[C@@H]1CCCc2scnc21 ZINC000624011458 371247534 /nfs/dbraw/zinc/24/75/34/371247534.db2.gz APLHCDULZLEYGI-GHMZBOCLSA-N 0 3 238.400 3.546 20 0 BHADHN CC[C@@H](C)CCN[C@H]1CCCc2scnc21 ZINC000624011459 371247193 /nfs/dbraw/zinc/24/71/93/371247193.db2.gz APLHCDULZLEYGI-MNOVXSKESA-N 0 3 238.400 3.546 20 0 BHADHN CC[C@H](C)CCN[C@H]1CCCc2scnc21 ZINC000624011460 371247286 /nfs/dbraw/zinc/24/72/86/371247286.db2.gz APLHCDULZLEYGI-QWRGUYRKSA-N 0 3 238.400 3.546 20 0 BHADHN CC[C@H](C)CCN[C@@H]1CCCc2scnc21 ZINC000624011461 371247399 /nfs/dbraw/zinc/24/73/99/371247399.db2.gz APLHCDULZLEYGI-WDEREUQCSA-N 0 3 238.400 3.546 20 0 BHADHN CCC(C)(C)[C@@H](C)N[C@H](C)c1nc(C)cs1 ZINC000624011621 371247296 /nfs/dbraw/zinc/24/72/96/371247296.db2.gz DYZFOGBTXUBVOX-GHMZBOCLSA-N 0 3 240.416 3.927 20 0 BHADHN CCC(C)(C)[C@H](C)N[C@H](C)c1nc(C)cs1 ZINC000624011622 371247649 /nfs/dbraw/zinc/24/76/49/371247649.db2.gz DYZFOGBTXUBVOX-MNOVXSKESA-N 0 3 240.416 3.927 20 0 BHADHN CCC(C)(C)[C@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000624011623 371247613 /nfs/dbraw/zinc/24/76/13/371247613.db2.gz DYZFOGBTXUBVOX-QWRGUYRKSA-N 0 3 240.416 3.927 20 0 BHADHN CCC(C)(C)[C@@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000624011624 371247547 /nfs/dbraw/zinc/24/75/47/371247547.db2.gz DYZFOGBTXUBVOX-WDEREUQCSA-N 0 3 240.416 3.927 20 0 BHADHN Cc1csc([C@H](C)N[C@H](C(C)C)C2CC2)n1 ZINC000624015424 371249827 /nfs/dbraw/zinc/24/98/27/371249827.db2.gz XDRPTFNTWIYCNT-CMPLNLGQSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@H](C)N[C@@H](C(C)C)C2CC2)n1 ZINC000624015425 371250475 /nfs/dbraw/zinc/25/04/75/371250475.db2.gz XDRPTFNTWIYCNT-JQWIXIFHSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@@H](C)N[C@@H](C(C)C)C2CC2)n1 ZINC000624015426 371250292 /nfs/dbraw/zinc/25/02/92/371250292.db2.gz XDRPTFNTWIYCNT-PWSUYJOCSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@@H](C)N[C@H](C(C)C)C2CC2)n1 ZINC000624015427 371249968 /nfs/dbraw/zinc/24/99/68/371249968.db2.gz XDRPTFNTWIYCNT-ZYHUDNBSSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1csc([C@@H](C)NC2(CC(C)C)CC2)n1 ZINC000624016512 371251478 /nfs/dbraw/zinc/25/14/78/371251478.db2.gz YQZMENZCGNHTMU-LLVKDONJSA-N 0 3 238.400 3.681 20 0 BHADHN Cc1csc([C@H](C)NC2(CC(C)C)CC2)n1 ZINC000624016513 371252375 /nfs/dbraw/zinc/25/23/75/371252375.db2.gz YQZMENZCGNHTMU-NSHDSACASA-N 0 3 238.400 3.681 20 0 BHADHN CCC[C@@H](CN[C@@H](C)c1ccsc1)OCC ZINC000624048274 342794441 /nfs/dbraw/zinc/79/44/41/342794441.db2.gz HLGYRYYUWHIRHJ-AAEUAGOBSA-N 0 3 241.400 3.604 20 0 BHADHN CCC[C@H](CN[C@H](C)c1ccsc1)OCC ZINC000624048275 342794173 /nfs/dbraw/zinc/79/41/73/342794173.db2.gz HLGYRYYUWHIRHJ-DGCLKSJQSA-N 0 3 241.400 3.604 20 0 BHADHN CCC[C@H](CN[C@@H](C)c1ccsc1)OCC ZINC000624048276 342794237 /nfs/dbraw/zinc/79/42/37/342794237.db2.gz HLGYRYYUWHIRHJ-WCQYABFASA-N 0 3 241.400 3.604 20 0 BHADHN CCC[C@@H](CN[C@H](C)c1ccsc1)OCC ZINC000624048277 342794245 /nfs/dbraw/zinc/79/42/45/342794245.db2.gz HLGYRYYUWHIRHJ-YPMHNXCESA-N 0 3 241.400 3.604 20 0 BHADHN CC(C)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000624062258 371287204 /nfs/dbraw/zinc/28/72/04/371287204.db2.gz XSDUHORKGVHXSM-GFCCVEGCSA-N 0 3 239.309 3.553 20 0 BHADHN CC(C)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000624062259 371287375 /nfs/dbraw/zinc/28/73/75/371287375.db2.gz XSDUHORKGVHXSM-LBPRGKRZSA-N 0 3 239.309 3.553 20 0 BHADHN CCC(F)(F)CN[C@@H](C1CC1)C1CCCC1 ZINC000624148574 347275155 /nfs/dbraw/zinc/27/51/55/347275155.db2.gz IXDXNHMCMSMVJO-GFCCVEGCSA-N 0 3 231.330 3.590 20 0 BHADHN CCC(F)(F)CN[C@H](C1CC1)C1CCCC1 ZINC000624148575 347275822 /nfs/dbraw/zinc/27/58/22/347275822.db2.gz IXDXNHMCMSMVJO-LBPRGKRZSA-N 0 3 231.330 3.590 20 0 BHADHN CCC(F)(F)CNC(C1CCC1)C1CCC1 ZINC000624148761 371346062 /nfs/dbraw/zinc/34/60/62/371346062.db2.gz NFRVFUJGBWLEGE-UHFFFAOYSA-N 0 3 231.330 3.590 20 0 BHADHN C/C=C\CN[C@@H](C)c1cc(Cl)ccc1OC ZINC000624196403 371384639 /nfs/dbraw/zinc/38/46/39/371384639.db2.gz FJJHFQAPGCUXOQ-LWTINBJPSA-N 0 3 239.746 3.575 20 0 BHADHN C/C=C/CN[C@H](C)c1cc(Cl)ccc1OC ZINC000624196404 371384533 /nfs/dbraw/zinc/38/45/33/371384533.db2.gz FJJHFQAPGCUXOQ-ORAHPGNNSA-N 0 3 239.746 3.575 20 0 BHADHN C/C=C\CN[C@H](C)c1cc(Cl)ccc1OC ZINC000624196405 371385120 /nfs/dbraw/zinc/38/51/20/371385120.db2.gz FJJHFQAPGCUXOQ-UMCURTJPSA-N 0 3 239.746 3.575 20 0 BHADHN C/C=C/CN[C@@H](C)c1cc(Cl)ccc1OC ZINC000624196406 371384476 /nfs/dbraw/zinc/38/44/76/371384476.db2.gz FJJHFQAPGCUXOQ-YEZKRMTDSA-N 0 3 239.746 3.575 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000624197487 342791990 /nfs/dbraw/zinc/79/19/90/342791990.db2.gz NUYRTEUQSGCGKY-LWTINBJPSA-N 0 3 239.746 3.575 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000624197488 342791969 /nfs/dbraw/zinc/79/19/69/342791969.db2.gz NUYRTEUQSGCGKY-ORAHPGNNSA-N 0 3 239.746 3.575 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000624197489 342792003 /nfs/dbraw/zinc/79/20/03/342792003.db2.gz NUYRTEUQSGCGKY-UMCURTJPSA-N 0 3 239.746 3.575 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000624197490 342791957 /nfs/dbraw/zinc/79/19/57/342791957.db2.gz NUYRTEUQSGCGKY-YEZKRMTDSA-N 0 3 239.746 3.575 20 0 BHADHN C/C=C/CN[C@@H](C)c1sc(C(C)C)nc1C ZINC000624197499 371386065 /nfs/dbraw/zinc/38/60/65/371386065.db2.gz OHKJKWUSZQXXFI-FGEFZZPRSA-N 0 3 238.400 3.802 20 0 BHADHN C/C=C\CN[C@@H](C)c1sc(C(C)C)nc1C ZINC000624197500 371385671 /nfs/dbraw/zinc/38/56/71/371385671.db2.gz OHKJKWUSZQXXFI-GFVADAIESA-N 0 3 238.400 3.802 20 0 BHADHN C/C=C\CN[C@H](C)c1sc(C(C)C)nc1C ZINC000624197501 371386626 /nfs/dbraw/zinc/38/66/26/371386626.db2.gz OHKJKWUSZQXXFI-JYESYGNLSA-N 0 3 238.400 3.802 20 0 BHADHN C/C=C/CN[C@H](C)c1sc(C(C)C)nc1C ZINC000624197502 371386594 /nfs/dbraw/zinc/38/65/94/371386594.db2.gz OHKJKWUSZQXXFI-VQCYPWCPSA-N 0 3 238.400 3.802 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(SC)c(F)c1 ZINC000624197653 371386534 /nfs/dbraw/zinc/38/65/34/371386534.db2.gz SHOMMBDRYIEVTM-LWTINBJPSA-N 0 3 239.359 3.774 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(SC)c(F)c1 ZINC000624197654 371385995 /nfs/dbraw/zinc/38/59/95/371385995.db2.gz SHOMMBDRYIEVTM-ORAHPGNNSA-N 0 3 239.359 3.774 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(SC)c(F)c1 ZINC000624197655 371383815 /nfs/dbraw/zinc/38/38/15/371383815.db2.gz SHOMMBDRYIEVTM-UMCURTJPSA-N 0 3 239.359 3.774 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(SC)c(F)c1 ZINC000624197656 371383839 /nfs/dbraw/zinc/38/38/39/371383839.db2.gz SHOMMBDRYIEVTM-YEZKRMTDSA-N 0 3 239.359 3.774 20 0 BHADHN C/C=C\CN[C@H]1CCSc2ccc(F)cc21 ZINC000624197801 371386023 /nfs/dbraw/zinc/38/60/23/371386023.db2.gz XHLNKMUTDNWBSQ-DLGQBQFBSA-N 0 3 237.343 3.528 20 0 BHADHN C/C=C/CN[C@H]1CCSc2ccc(F)cc21 ZINC000624197802 371385877 /nfs/dbraw/zinc/38/58/77/371385877.db2.gz XHLNKMUTDNWBSQ-JDGPPOGSSA-N 0 3 237.343 3.528 20 0 BHADHN C/C=C/CN[C@@H]1CCSc2ccc(F)cc21 ZINC000624197803 371386242 /nfs/dbraw/zinc/38/62/42/371386242.db2.gz XHLNKMUTDNWBSQ-QAVQXKDTSA-N 0 3 237.343 3.528 20 0 BHADHN C/C=C\CN[C@@H]1CCSc2ccc(F)cc21 ZINC000624197804 371385546 /nfs/dbraw/zinc/38/55/46/371385546.db2.gz XHLNKMUTDNWBSQ-ZZKXABKFSA-N 0 3 237.343 3.528 20 0 BHADHN C/C=C/CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000624197848 342793787 /nfs/dbraw/zinc/79/37/87/342793787.db2.gz YFWCDTAJHCWXNQ-BAABZTOOSA-N 0 3 243.350 3.599 20 0 BHADHN C/C=C/CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000624197849 342793653 /nfs/dbraw/zinc/79/36/53/342793653.db2.gz YFWCDTAJHCWXNQ-HSWBROFVSA-N 0 3 243.350 3.599 20 0 BHADHN C/C=C\CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000624197850 342793687 /nfs/dbraw/zinc/79/36/87/342793687.db2.gz YFWCDTAJHCWXNQ-PYLYLYNFSA-N 0 3 243.350 3.599 20 0 BHADHN C/C=C\CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000624197851 342793613 /nfs/dbraw/zinc/79/36/13/342793613.db2.gz YFWCDTAJHCWXNQ-SFAKSCPVSA-N 0 3 243.350 3.599 20 0 BHADHN C/C=C\CN[C@@H](CCC)c1ccsc1 ZINC000624198563 371387737 /nfs/dbraw/zinc/38/77/37/371387737.db2.gz RWKLTLCXEZYXEV-FHMRSRPSSA-N 0 3 209.358 3.755 20 0 BHADHN C/C=C\CN[C@H](CCC)c1ccsc1 ZINC000624198564 371387664 /nfs/dbraw/zinc/38/76/64/371387664.db2.gz RWKLTLCXEZYXEV-KTLBGCOUSA-N 0 3 209.358 3.755 20 0 BHADHN C/C=C/CN[C@H](CCC)c1ccsc1 ZINC000624198565 371387681 /nfs/dbraw/zinc/38/76/81/371387681.db2.gz RWKLTLCXEZYXEV-OGOUPESXSA-N 0 3 209.358 3.755 20 0 BHADHN C/C=C/CN[C@@H](CCC)c1ccsc1 ZINC000624198566 371387543 /nfs/dbraw/zinc/38/75/43/371387543.db2.gz RWKLTLCXEZYXEV-PYEVWLCESA-N 0 3 209.358 3.755 20 0 BHADHN C/C=C\CN[C@H](c1ccc(C)o1)C1CCC1 ZINC000624198757 342840120 /nfs/dbraw/zinc/84/01/20/342840120.db2.gz XEAPWSZFAXLHFJ-NQHOJNORSA-N 0 3 219.328 3.595 20 0 BHADHN C/C=C/CN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000624198758 342840105 /nfs/dbraw/zinc/84/01/05/342840105.db2.gz XEAPWSZFAXLHFJ-RDFMZFSFSA-N 0 3 219.328 3.595 20 0 BHADHN C/C=C\CN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000624198759 342840095 /nfs/dbraw/zinc/84/00/95/342840095.db2.gz XEAPWSZFAXLHFJ-VQTKUKTRSA-N 0 3 219.328 3.595 20 0 BHADHN C/C=C/CN[C@H](c1ccc(C)o1)C1CCC1 ZINC000624198760 342840122 /nfs/dbraw/zinc/84/01/22/342840122.db2.gz XEAPWSZFAXLHFJ-XGACYXMMSA-N 0 3 219.328 3.595 20 0 BHADHN C/C=C\CN[C@@H](C)c1ccc(Cl)cc1OC ZINC000624198900 371389035 /nfs/dbraw/zinc/38/90/35/371389035.db2.gz BHDYZCASTLWDDJ-LWTINBJPSA-N 0 3 239.746 3.575 20 0 BHADHN C/C=C/CN[C@H](C)c1ccc(Cl)cc1OC ZINC000624198901 371389173 /nfs/dbraw/zinc/38/91/73/371389173.db2.gz BHDYZCASTLWDDJ-ORAHPGNNSA-N 0 3 239.746 3.575 20 0 BHADHN C/C=C\CN[C@H](C)c1ccc(Cl)cc1OC ZINC000624198902 371388710 /nfs/dbraw/zinc/38/87/10/371388710.db2.gz BHDYZCASTLWDDJ-UMCURTJPSA-N 0 3 239.746 3.575 20 0 BHADHN C/C=C/CN[C@@H](C)c1ccc(Cl)cc1OC ZINC000624198903 371388756 /nfs/dbraw/zinc/38/87/56/371388756.db2.gz BHDYZCASTLWDDJ-YEZKRMTDSA-N 0 3 239.746 3.575 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@]2(C)C[C@H]3C[C@H]3C2)o1 ZINC000624199024 342841295 /nfs/dbraw/zinc/84/12/95/342841295.db2.gz DSOYBNIPVPJPRH-GUIRCDHDSA-N 0 3 233.355 3.675 20 0 BHADHN Cc1ccc([C@H](C)NC[C@]2(C)C[C@H]3C[C@H]3C2)o1 ZINC000624199025 342841355 /nfs/dbraw/zinc/84/13/55/342841355.db2.gz DSOYBNIPVPJPRH-XPCVCDNBSA-N 0 3 233.355 3.675 20 0 BHADHN CC(C)N(Cc1cc(O)ccc1Cl)C(C)C ZINC000625287227 343221198 /nfs/dbraw/zinc/22/11/98/343221198.db2.gz MJERHGXGWUXVNC-UHFFFAOYSA-N 0 3 241.762 3.664 20 0 BHADHN CC(C)C(NCc1ncccc1Cl)C(C)C ZINC000625300345 343226945 /nfs/dbraw/zinc/22/69/45/343226945.db2.gz FWBOHYGXQMVBCP-UHFFFAOYSA-N 0 3 240.778 3.505 20 0 BHADHN CCC[C@H](C)CCCN[C@@H](C)c1ccccn1 ZINC000625313969 343231158 /nfs/dbraw/zinc/23/11/58/343231158.db2.gz AFZWKFKPHRCDSW-KBPBESRZSA-N 0 3 234.387 3.949 20 0 BHADHN CCC[C@@H](C)CCCN[C@@H](C)c1ccccn1 ZINC000625313972 343230867 /nfs/dbraw/zinc/23/08/67/343230867.db2.gz AFZWKFKPHRCDSW-KGLIPLIRSA-N 0 3 234.387 3.949 20 0 BHADHN CCC[C@H](C)CCCN[C@H](C)c1ccccn1 ZINC000625313974 343230908 /nfs/dbraw/zinc/23/09/08/343230908.db2.gz AFZWKFKPHRCDSW-UONOGXRCSA-N 0 3 234.387 3.949 20 0 BHADHN CCC[C@@H](C)CCCN[C@H](C)c1ccccn1 ZINC000625313976 343230863 /nfs/dbraw/zinc/23/08/63/343230863.db2.gz AFZWKFKPHRCDSW-ZIAGYGMSSA-N 0 3 234.387 3.949 20 0 BHADHN C[C@@H]1C[C@H]1CN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000625535639 398097634 /nfs/dbraw/zinc/09/76/34/398097634.db2.gz UOIIIFSZZMIMKT-IPYPFGDCSA-N 0 3 245.366 3.853 20 0 BHADHN C[C@@H]1C[C@@H]1CN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000625535640 398097421 /nfs/dbraw/zinc/09/74/21/398097421.db2.gz UOIIIFSZZMIMKT-NFAWXSAZSA-N 0 3 245.366 3.853 20 0 BHADHN C[C@@H]1C[C@@H]1CN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000625535641 398097710 /nfs/dbraw/zinc/09/77/10/398097710.db2.gz UOIIIFSZZMIMKT-UMVBOHGHSA-N 0 3 245.366 3.853 20 0 BHADHN C[C@@H]1C[C@H]1CN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000625535642 398097903 /nfs/dbraw/zinc/09/79/03/398097903.db2.gz UOIIIFSZZMIMKT-VNHYZAJKSA-N 0 3 245.366 3.853 20 0 BHADHN Cc1cnccc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000625564618 398200504 /nfs/dbraw/zinc/20/05/04/398200504.db2.gz FMLALWJZVRLUMS-HOCLYGCPSA-N 0 3 244.382 3.545 20 0 BHADHN CC1(C)CCC(C)(C)N(Cc2cncs2)C1 ZINC000625725035 344057348 /nfs/dbraw/zinc/05/73/48/344057348.db2.gz NXEBTMPVJLSGMQ-UHFFFAOYSA-N 0 3 238.400 3.544 20 0 BHADHN CCC(C)(C)CCN1Cc2ccc(O)cc2C1 ZINC000625727406 344058691 /nfs/dbraw/zinc/05/86/91/344058691.db2.gz WMDNGMGSAMDOPF-UHFFFAOYSA-N 0 3 233.355 3.534 20 0 BHADHN C[C@@H]1CCC[C@@H](CN2Cc3ccc(O)cc3C2)C1 ZINC000625727831 344059009 /nfs/dbraw/zinc/05/90/09/344059009.db2.gz NDGCQWCOHHQXCV-CHWSQXEVSA-N 0 3 245.366 3.534 20 0 BHADHN C[C@@H]1CCC[C@H](CN2Cc3ccc(O)cc3C2)C1 ZINC000625727832 344059215 /nfs/dbraw/zinc/05/92/15/344059215.db2.gz NDGCQWCOHHQXCV-OLZOCXBDSA-N 0 3 245.366 3.534 20 0 BHADHN C[C@H]1CCC[C@@H](CN2Cc3ccc(O)cc3C2)C1 ZINC000625727833 344059441 /nfs/dbraw/zinc/05/94/41/344059441.db2.gz NDGCQWCOHHQXCV-QWHCGFSZSA-N 0 3 245.366 3.534 20 0 BHADHN C[C@H]1CCC[C@H](CN2Cc3ccc(O)cc3C2)C1 ZINC000625727834 344059176 /nfs/dbraw/zinc/05/91/76/344059176.db2.gz NDGCQWCOHHQXCV-STQMWFEESA-N 0 3 245.366 3.534 20 0 BHADHN CC1CCC(CN2Cc3ccc(O)cc3C2)CC1 ZINC000625727846 344059257 /nfs/dbraw/zinc/05/92/57/344059257.db2.gz NQOPAAKVKVPYHU-UHFFFAOYSA-N 0 3 245.366 3.534 20 0 BHADHN Oc1ccc2c(c1)CN([C@H]1C=CCCCCC1)C2 ZINC000625728213 344060125 /nfs/dbraw/zinc/06/01/25/344060125.db2.gz ZTTSYEWTJFGMEP-HNNXBMFYSA-N 0 3 243.350 3.597 20 0 BHADHN Oc1ccc2c(c1)CN([C@@H]1C=CCCCCC1)C2 ZINC000625728214 344059871 /nfs/dbraw/zinc/05/98/71/344059871.db2.gz ZTTSYEWTJFGMEP-OAHLLOKOSA-N 0 3 243.350 3.597 20 0 BHADHN C[C@@H]1CCCC[C@@H]1CN1Cc2ccc(O)cc2C1 ZINC000625728296 344060128 /nfs/dbraw/zinc/06/01/28/344060128.db2.gz GWFLYXXMYCJUHI-CHWSQXEVSA-N 0 3 245.366 3.534 20 0 BHADHN C[C@@H]1CCCC[C@H]1CN1Cc2ccc(O)cc2C1 ZINC000625728297 344060171 /nfs/dbraw/zinc/06/01/71/344060171.db2.gz GWFLYXXMYCJUHI-OLZOCXBDSA-N 0 3 245.366 3.534 20 0 BHADHN C[C@H]1CCCC[C@@H]1CN1Cc2ccc(O)cc2C1 ZINC000625728298 344060095 /nfs/dbraw/zinc/06/00/95/344060095.db2.gz GWFLYXXMYCJUHI-QWHCGFSZSA-N 0 3 245.366 3.534 20 0 BHADHN C[C@H]1CCCC[C@H]1CN1Cc2ccc(O)cc2C1 ZINC000625728299 344059792 /nfs/dbraw/zinc/05/97/92/344059792.db2.gz GWFLYXXMYCJUHI-STQMWFEESA-N 0 3 245.366 3.534 20 0 BHADHN CC(C)(CCN1Cc2ccc(O)cc2C1)C1CC1 ZINC000625728424 344060214 /nfs/dbraw/zinc/06/02/14/344060214.db2.gz PHMHYBSZFWQBHR-UHFFFAOYSA-N 0 3 245.366 3.534 20 0 BHADHN Cc1cccc(CN2CCCC(F)(F)CC2)c1 ZINC000625767061 344068380 /nfs/dbraw/zinc/06/83/80/344068380.db2.gz ZXAUMXCZUOKRGO-UHFFFAOYSA-N 0 3 239.309 3.616 20 0 BHADHN Cc1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000625767113 344068443 /nfs/dbraw/zinc/06/84/43/344068443.db2.gz DWZQMJKUAZMWJT-UHFFFAOYSA-N 0 3 239.309 3.616 20 0 BHADHN Cc1cc(CN2CCCC(F)(F)CC2)cs1 ZINC000625771072 344067150 /nfs/dbraw/zinc/06/71/50/344067150.db2.gz ACCOXLBPZOMELS-UHFFFAOYSA-N 0 3 245.338 3.678 20 0 BHADHN C1=C(CN[C@H](c2ccccn2)C2CCC2)CCC1 ZINC000625786449 344073894 /nfs/dbraw/zinc/07/38/94/344073894.db2.gz HLRYUQBKJOZCAP-INIZCTEOSA-N 0 3 242.366 3.623 20 0 BHADHN C1=C(CN[C@@H](c2ccccn2)C2CCC2)CCC1 ZINC000625786451 344074194 /nfs/dbraw/zinc/07/41/94/344074194.db2.gz HLRYUQBKJOZCAP-MRXNPFEDSA-N 0 3 242.366 3.623 20 0 BHADHN CSc1ccc(CN(C2CC2)C2CC2)cc1 ZINC000625837050 344090196 /nfs/dbraw/zinc/09/01/96/344090196.db2.gz KOEOHIMMUXASAY-UHFFFAOYSA-N 0 3 233.380 3.535 20 0 BHADHN CC(C)Oc1cccc(CN(C2CC2)C2CC2)c1 ZINC000625837584 344089774 /nfs/dbraw/zinc/08/97/74/344089774.db2.gz LFDZQWWSOCCFJC-UHFFFAOYSA-N 0 3 245.366 3.601 20 0 BHADHN CC(C)Oc1ccccc1CN(C1CC1)C1CC1 ZINC000625837896 344090596 /nfs/dbraw/zinc/09/05/96/344090596.db2.gz PNZBOKSILNFNFZ-UHFFFAOYSA-N 0 3 245.366 3.601 20 0 BHADHN Clc1ccc(CN(C2CC2)C2CC2)s1 ZINC000625838096 344090590 /nfs/dbraw/zinc/09/05/90/344090590.db2.gz VGEPTQANDRALCP-UHFFFAOYSA-N 0 3 227.760 3.528 20 0 BHADHN c1c2ccccc2oc1CN(C1CC1)C1CC1 ZINC000625838371 344091182 /nfs/dbraw/zinc/09/11/82/344091182.db2.gz BFLBJMHJIZDHLE-UHFFFAOYSA-N 0 3 227.307 3.560 20 0 BHADHN Fc1cc(CN(C2CC2)C2CC2)ccc1Cl ZINC000625840895 344092120 /nfs/dbraw/zinc/09/21/20/344092120.db2.gz ABDIWCQZTIOJES-UHFFFAOYSA-N 0 3 239.721 3.606 20 0 BHADHN FC(F)c1ccc(CN(C2CC2)C2CC2)cc1 ZINC000625840990 344092655 /nfs/dbraw/zinc/09/26/55/344092655.db2.gz BDEYQLYPBSNLCR-UHFFFAOYSA-N 0 3 237.293 3.751 20 0 BHADHN CSc1cccc(CN(C2CC2)C2CC2)c1 ZINC000625842069 344093020 /nfs/dbraw/zinc/09/30/20/344093020.db2.gz NVBOQBAYPKJEHP-UHFFFAOYSA-N 0 3 233.380 3.535 20 0 BHADHN FC(F)c1cccc(CN(C2CC2)C2CC2)c1 ZINC000625842098 344093359 /nfs/dbraw/zinc/09/33/59/344093359.db2.gz VPOUSNWQUMCFBC-UHFFFAOYSA-N 0 3 237.293 3.751 20 0 BHADHN Cc1nc(C(C)C)ccc1CN(C1CC1)C1CC1 ZINC000625842129 344093952 /nfs/dbraw/zinc/09/39/52/344093952.db2.gz XEXMWXFDKOEBLU-UHFFFAOYSA-N 0 3 244.382 3.640 20 0 BHADHN CSc1ccccc1CN(C1CC1)C1CC1 ZINC000625843320 344094175 /nfs/dbraw/zinc/09/41/75/344094175.db2.gz SVVHUNXLTJQABH-UHFFFAOYSA-N 0 3 233.380 3.535 20 0 BHADHN Fc1ccc(CN(C2CC2)C2CC2)cc1Cl ZINC000625843540 344094308 /nfs/dbraw/zinc/09/43/08/344094308.db2.gz XQLWDAKPSCBGOV-UHFFFAOYSA-N 0 3 239.721 3.606 20 0 BHADHN CC(C)(NCCF)c1ccc2ccccc2c1 ZINC000626116330 345361323 /nfs/dbraw/zinc/36/13/23/345361323.db2.gz YCMZIFXPHDNDDT-UHFFFAOYSA-N 0 3 231.314 3.634 20 0 BHADHN C/C=C\C[C@@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000626161999 346272238 /nfs/dbraw/zinc/27/22/38/346272238.db2.gz MMHVHDBDGLOSRN-ABCZVMIZSA-N 0 3 244.382 3.568 20 0 BHADHN C/C=C/C[C@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000626162000 346272271 /nfs/dbraw/zinc/27/22/71/346272271.db2.gz MMHVHDBDGLOSRN-BWPKMQGJSA-N 0 3 244.382 3.568 20 0 BHADHN C/C=C\C[C@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000626162001 346272308 /nfs/dbraw/zinc/27/23/08/346272308.db2.gz MMHVHDBDGLOSRN-JZIMQPMSSA-N 0 3 244.382 3.568 20 0 BHADHN C/C=C/C[C@@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000626162002 346272113 /nfs/dbraw/zinc/27/21/13/346272113.db2.gz MMHVHDBDGLOSRN-NHZBNJEXSA-N 0 3 244.382 3.568 20 0 BHADHN C/C=C/C[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000626162700 346274479 /nfs/dbraw/zinc/27/44/79/346274479.db2.gz YAEXOAFRPUXBAJ-KXMPLOMGSA-N 0 3 235.293 3.617 20 0 BHADHN C/C=C\C[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000626162701 346274313 /nfs/dbraw/zinc/27/43/13/346274313.db2.gz YAEXOAFRPUXBAJ-OTDNITJGSA-N 0 3 235.293 3.617 20 0 BHADHN C/C=C\C[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000626162702 346273940 /nfs/dbraw/zinc/27/39/40/346273940.db2.gz YAEXOAFRPUXBAJ-QUCGXOGASA-N 0 3 235.293 3.617 20 0 BHADHN C/C=C/C[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000626162703 346273881 /nfs/dbraw/zinc/27/38/81/346273881.db2.gz YAEXOAFRPUXBAJ-VUDBWIFFSA-N 0 3 235.293 3.617 20 0 BHADHN C/C=C\C[C@@H]1CCCN(Cc2cnccc2C)C1 ZINC000626163061 346274380 /nfs/dbraw/zinc/27/43/80/346274380.db2.gz DRMVXEPRUOMOJD-ABCZVMIZSA-N 0 3 244.382 3.568 20 0 BHADHN C/C=C/C[C@H]1CCCN(Cc2cnccc2C)C1 ZINC000626163062 346274460 /nfs/dbraw/zinc/27/44/60/346274460.db2.gz DRMVXEPRUOMOJD-BWPKMQGJSA-N 0 3 244.382 3.568 20 0 BHADHN C/C=C\C[C@H]1CCCN(Cc2cnccc2C)C1 ZINC000626163063 346274434 /nfs/dbraw/zinc/27/44/34/346274434.db2.gz DRMVXEPRUOMOJD-JZIMQPMSSA-N 0 3 244.382 3.568 20 0 BHADHN C/C=C/C[C@@H]1CCCN(Cc2cnccc2C)C1 ZINC000626163064 346273739 /nfs/dbraw/zinc/27/37/39/346273739.db2.gz DRMVXEPRUOMOJD-NHZBNJEXSA-N 0 3 244.382 3.568 20 0 BHADHN C/C=C\C[C@@H]1CCCN(Cc2cncc(C)c2)C1 ZINC000626163287 346275084 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/nfs/dbraw/zinc/91/40/19/344914019.db2.gz SSCNOODOCABOCG-RYUDHWBXSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCC[C@@H](C)N(Cc2cnc(C3CC3)o2)C1 ZINC000628179236 344914178 /nfs/dbraw/zinc/91/41/78/344914178.db2.gz SSCNOODOCABOCG-VXGBXAGGSA-N 0 3 248.370 3.563 20 0 BHADHN CC[C@@H]1CCCCCN1Cc1cnc(C2CC2)o1 ZINC000628179840 344916397 /nfs/dbraw/zinc/91/63/97/344916397.db2.gz QMKQKDAKOKXVJO-CYBMUJFWSA-N 0 3 248.370 3.707 20 0 BHADHN CC[C@H]1CCCCCN1Cc1cnc(C2CC2)o1 ZINC000628179841 344916364 /nfs/dbraw/zinc/91/63/64/344916364.db2.gz QMKQKDAKOKXVJO-ZDUSSCGKSA-N 0 3 248.370 3.707 20 0 BHADHN CC[C@@H]1CCCN(Cc2cnc(C3CC3)o2)CC1 ZINC000628180332 344918013 /nfs/dbraw/zinc/91/80/13/344918013.db2.gz LBDVSBKQMIGROB-GFCCVEGCSA-N 0 3 248.370 3.564 20 0 BHADHN CC[C@H]1CCCN(Cc2cnc(C3CC3)o2)CC1 ZINC000628180333 344918268 /nfs/dbraw/zinc/91/82/68/344918268.db2.gz LBDVSBKQMIGROB-LBPRGKRZSA-N 0 3 248.370 3.564 20 0 BHADHN Cc1c[nH]c(CN2CCCCC[C@H]2CC(C)C)n1 ZINC000628181365 344920958 /nfs/dbraw/zinc/92/09/58/344920958.db2.gz AQOMUWMZTDSGKV-AWEZNQCLSA-N 0 3 249.402 3.509 20 0 BHADHN Cc1c[nH]c(CN2CCCCC[C@@H]2CC(C)C)n1 ZINC000628181366 344920901 /nfs/dbraw/zinc/92/09/01/344920901.db2.gz AQOMUWMZTDSGKV-CQSZACIVSA-N 0 3 249.402 3.509 20 0 BHADHN CC1(C)CCCN(Cc2cnc(C3CC3)o2)CC1 ZINC000628183513 344931876 /nfs/dbraw/zinc/93/18/76/344931876.db2.gz FHEBJHQNJRNXJU-UHFFFAOYSA-N 0 3 248.370 3.564 20 0 BHADHN C[C@]1(CN2C3CCCC2CCC3)CCCS1 ZINC000628184713 344933826 /nfs/dbraw/zinc/93/38/26/344933826.db2.gz WEIFVCXNKFWRNK-JXQTWKCFSA-N 0 3 239.428 3.679 20 0 BHADHN C[C@@]1(CN2C3CCCC2CCC3)CCCS1 ZINC000628184714 344933955 /nfs/dbraw/zinc/93/39/55/344933955.db2.gz WEIFVCXNKFWRNK-RUXDESIVSA-N 0 3 239.428 3.679 20 0 BHADHN CCC[C@@H]1CCCN(Cc2cnc(C3CC3)o2)C1 ZINC000628184918 344933264 /nfs/dbraw/zinc/93/32/64/344933264.db2.gz DCJBTEYAHQWGLH-GFCCVEGCSA-N 0 3 248.370 3.564 20 0 BHADHN CCC[C@H]1CCCN(Cc2cnc(C3CC3)o2)C1 ZINC000628184919 344932994 /nfs/dbraw/zinc/93/29/94/344932994.db2.gz DCJBTEYAHQWGLH-LBPRGKRZSA-N 0 3 248.370 3.564 20 0 BHADHN CCCCC[C@@H]1CCCN1Cc1cnc(C)o1 ZINC000628190999 344944206 /nfs/dbraw/zinc/94/42/06/344944206.db2.gz WZWSKYNSLSMAEW-CYBMUJFWSA-N 0 3 236.359 3.528 20 0 BHADHN CCCCC[C@H]1CCCN1Cc1cnc(C)o1 ZINC000628191000 344944260 /nfs/dbraw/zinc/94/42/60/344944260.db2.gz WZWSKYNSLSMAEW-ZDUSSCGKSA-N 0 3 236.359 3.528 20 0 BHADHN c1nc(C2CC2)oc1CNCCCC1CCCC1 ZINC000628198813 344964597 /nfs/dbraw/zinc/96/45/97/344964597.db2.gz MIMQNSDOHBJRDM-UHFFFAOYSA-N 0 3 248.370 3.612 20 0 BHADHN Cc1nc(C)c(CN[C@H](C)CCCC(C)C)o1 ZINC000628200048 344967881 /nfs/dbraw/zinc/96/78/81/344967881.db2.gz VLTVIULTXLTDTL-LLVKDONJSA-N 0 3 238.375 3.596 20 0 BHADHN Cc1nc(C)c(CN[C@@H](C)CCCC(C)C)o1 ZINC000628200049 344967965 /nfs/dbraw/zinc/96/79/65/344967965.db2.gz VLTVIULTXLTDTL-NSHDSACASA-N 0 3 238.375 3.596 20 0 BHADHN c1nc(C2CC2)oc1CNCCC1=CCCCC1 ZINC000628200795 344974013 /nfs/dbraw/zinc/97/40/13/344974013.db2.gz BBCFUCQEVMZXBI-UHFFFAOYSA-N 0 3 246.354 3.532 20 0 BHADHN CC1CCC(C)(NCc2cnc(C3CC3)o2)CC1 ZINC000628212058 345854400 /nfs/dbraw/zinc/85/44/00/345854400.db2.gz DMPLPHIRDQNFOF-UHFFFAOYSA-N 0 3 248.370 3.610 20 0 BHADHN Cc1nc(C)c(CNCCCCC(C)(C)C)o1 ZINC000628213512 345873797 /nfs/dbraw/zinc/87/37/97/345873797.db2.gz MYNXIFLWSJFGGB-UHFFFAOYSA-N 0 3 238.375 3.597 20 0 BHADHN CCC(CC)(CC)NCc1cnc(C2CC2)o1 ZINC000628217135 345930019 /nfs/dbraw/zinc/93/00/19/345930019.db2.gz LVPHKMWDOUDHIN-UHFFFAOYSA-N 0 3 236.359 3.610 20 0 BHADHN CCCC[C@@H](CCC)NCc1oc(C)nc1C ZINC000628227371 346175639 /nfs/dbraw/zinc/17/56/39/346175639.db2.gz CRIYAROVPCZYGW-CYBMUJFWSA-N 0 3 238.375 3.740 20 0 BHADHN CCCC[C@H](CCC)NCc1oc(C)nc1C ZINC000628227372 346175694 /nfs/dbraw/zinc/17/56/94/346175694.db2.gz CRIYAROVPCZYGW-ZDUSSCGKSA-N 0 3 238.375 3.740 20 0 BHADHN CCC1(CNCc2cnc(C3CC3)o2)CCCC1 ZINC000628228118 346181012 /nfs/dbraw/zinc/18/10/12/346181012.db2.gz DFJRZIQIVBGOKS-UHFFFAOYSA-N 0 3 248.370 3.612 20 0 BHADHN CCCC1(CNCc2cnc(C3CC3)o2)CCC1 ZINC000628228534 346181655 /nfs/dbraw/zinc/18/16/55/346181655.db2.gz RTSYXHIDOXHZQJ-UHFFFAOYSA-N 0 3 248.370 3.612 20 0 BHADHN FC(F)(F)c1sccc1CNC1CC=CC1 ZINC000628228992 346178010 /nfs/dbraw/zinc/17/80/10/346178010.db2.gz GQMPYAYFBDZYLO-UHFFFAOYSA-N 0 3 247.285 3.575 20 0 BHADHN CCCC[C@@H](CCC)CNCc1cnc(C)o1 ZINC000628229230 346177759 /nfs/dbraw/zinc/17/77/59/346177759.db2.gz NGKPYEFBAWZWRK-CYBMUJFWSA-N 0 3 238.375 3.679 20 0 BHADHN CCCC[C@H](CCC)CNCc1cnc(C)o1 ZINC000628229231 346178364 /nfs/dbraw/zinc/17/83/64/346178364.db2.gz NGKPYEFBAWZWRK-ZDUSSCGKSA-N 0 3 238.375 3.679 20 0 BHADHN CC1(CNCc2cnc(C3CC3)o2)CCCCC1 ZINC000628229280 346178593 /nfs/dbraw/zinc/17/85/93/346178593.db2.gz PGALJKHNNBHSJO-UHFFFAOYSA-N 0 3 248.370 3.612 20 0 BHADHN CCC[C@@H]1CCCCN1Cc1cnc(C2CC2)o1 ZINC000628237959 346194876 /nfs/dbraw/zinc/19/48/76/346194876.db2.gz FZHNEWFIGFJHKQ-CYBMUJFWSA-N 0 3 248.370 3.707 20 0 BHADHN CCC[C@H]1CCCCN1Cc1cnc(C2CC2)o1 ZINC000628237960 346195015 /nfs/dbraw/zinc/19/50/15/346195015.db2.gz FZHNEWFIGFJHKQ-ZDUSSCGKSA-N 0 3 248.370 3.707 20 0 BHADHN Cc1nc(C)c(CNCCC2=CCCCCC2)o1 ZINC000628239313 346199598 /nfs/dbraw/zinc/19/95/98/346199598.db2.gz LMRWPTMATDRGFR-UHFFFAOYSA-N 0 3 248.370 3.662 20 0 BHADHN Cc1ncc(CNCC(C)(C)C2=CCCCC2)o1 ZINC000628240826 346203398 /nfs/dbraw/zinc/20/33/98/346203398.db2.gz VRMBOBYOJUHAIJ-UHFFFAOYSA-N 0 3 248.370 3.599 20 0 BHADHN C[C@H]1CCC[C@H](NCc2cnc(C3CC3)o2)CC1 ZINC000628245417 346208419 /nfs/dbraw/zinc/20/84/19/346208419.db2.gz WKCNOYLFMXEVJZ-AAEUAGOBSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@@H]1CCC[C@@H](NCc2cnc(C3CC3)o2)CC1 ZINC000628245418 346208253 /nfs/dbraw/zinc/20/82/53/346208253.db2.gz WKCNOYLFMXEVJZ-DGCLKSJQSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H]1CCC[C@@H](NCc2cnc(C3CC3)o2)CC1 ZINC000628245419 346208546 /nfs/dbraw/zinc/20/85/46/346208546.db2.gz WKCNOYLFMXEVJZ-WCQYABFASA-N 0 3 248.370 3.610 20 0 BHADHN C[C@@H]1CCC[C@H](NCc2cnc(C3CC3)o2)CC1 ZINC000628245420 346208257 /nfs/dbraw/zinc/20/82/57/346208257.db2.gz WKCNOYLFMXEVJZ-YPMHNXCESA-N 0 3 248.370 3.610 20 0 BHADHN Cc1ncc(CNCC[C@@H](C)CC(C)(C)C)o1 ZINC000628245477 346208356 /nfs/dbraw/zinc/20/83/56/346208356.db2.gz YNBDCFBCLFUJKM-LLVKDONJSA-N 0 3 238.375 3.535 20 0 BHADHN Cc1ncc(CNCC[C@H](C)CC(C)(C)C)o1 ZINC000628245478 346208349 /nfs/dbraw/zinc/20/83/49/346208349.db2.gz YNBDCFBCLFUJKM-NSHDSACASA-N 0 3 238.375 3.535 20 0 BHADHN CC(C)N(Cc1cnc(C2CC2)o1)CC1CCC1 ZINC000628252688 346228586 /nfs/dbraw/zinc/22/85/86/346228586.db2.gz CXTHYGVEBFWMAR-UHFFFAOYSA-N 0 3 248.370 3.563 20 0 BHADHN CN(Cc1cnc(C2CC2)o1)[C@@H]1CCC(C)(C)C1 ZINC000628255969 346253542 /nfs/dbraw/zinc/25/35/42/346253542.db2.gz DIKTYETWNDXXEQ-GFCCVEGCSA-N 0 3 248.370 3.563 20 0 BHADHN CN(Cc1cnc(C2CC2)o1)[C@H]1CCC(C)(C)C1 ZINC000628255970 346253745 /nfs/dbraw/zinc/25/37/45/346253745.db2.gz DIKTYETWNDXXEQ-LBPRGKRZSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCCC[C@H]1N(C)Cc1cnc(C2CC2)o1 ZINC000628265640 346264586 /nfs/dbraw/zinc/26/45/86/346264586.db2.gz MDJOECCFDMBGCH-BXUZGUMPSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@H]1CCCC[C@@H]1N(C)Cc1cnc(C2CC2)o1 ZINC000628265641 346264662 /nfs/dbraw/zinc/26/46/62/346264662.db2.gz MDJOECCFDMBGCH-FZMZJTMJSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCCC[C@@H]1N(C)Cc1cnc(C2CC2)o1 ZINC000628265642 346264499 /nfs/dbraw/zinc/26/44/99/346264499.db2.gz MDJOECCFDMBGCH-RISCZKNCSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@H]1CCCC[C@H]1N(C)Cc1cnc(C2CC2)o1 ZINC000628265643 346264603 /nfs/dbraw/zinc/26/46/03/346264603.db2.gz MDJOECCFDMBGCH-SMDDNHRTSA-N 0 3 248.370 3.563 20 0 BHADHN c1cc2cc(CN3CC4(C3)CCCC4)ccc2[nH]1 ZINC000628281253 346292781 /nfs/dbraw/zinc/29/27/81/346292781.db2.gz JVJPZQXQPPIACL-UHFFFAOYSA-N 0 3 240.350 3.544 20 0 BHADHN CCC(CC)N(CC)Cc1cnc(C2CC2)o1 ZINC000628283538 346293666 /nfs/dbraw/zinc/29/36/66/346293666.db2.gz ZWXXLGRHCLCKBB-UHFFFAOYSA-N 0 3 236.359 3.563 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1cnc(C2CC2)o1 ZINC000628287768 346921877 /nfs/dbraw/zinc/92/18/77/346921877.db2.gz MWLJVRTXKNGDSI-LLVKDONJSA-N 0 3 236.359 3.563 20 0 BHADHN CCCC[C@H](C)N(C)Cc1cnc(C2CC2)o1 ZINC000628287769 346921915 /nfs/dbraw/zinc/92/19/15/346921915.db2.gz MWLJVRTXKNGDSI-NSHDSACASA-N 0 3 236.359 3.563 20 0 BHADHN CC[C@H]1CC[C@H](NCc2cnc(C3CC3)o2)CC1 ZINC000628293935 347167639 /nfs/dbraw/zinc/16/76/39/347167639.db2.gz ZAYBHIIYFJBDRY-AULYBMBSSA-N 0 3 248.370 3.610 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1oc(C)nc1C ZINC000628298381 347316928 /nfs/dbraw/zinc/31/69/28/347316928.db2.gz DBHMNXQKEQBYMF-LLVKDONJSA-N 0 3 236.359 3.516 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1oc(C)nc1C ZINC000628298382 347316517 /nfs/dbraw/zinc/31/65/17/347316517.db2.gz DBHMNXQKEQBYMF-NSHDSACASA-N 0 3 236.359 3.516 20 0 BHADHN CCC1(NCc2cnc(C3CC3)o2)CCCCC1 ZINC000628300119 347855050 /nfs/dbraw/zinc/85/50/50/347855050.db2.gz PFRSJYDXKNLUSV-UHFFFAOYSA-N 0 3 248.370 3.755 20 0 BHADHN CC[C@@H]1CC[C@H](C)N(Cc2cnc(C3CC3)o2)C1 ZINC000628302969 349258175 /nfs/dbraw/zinc/25/81/75/349258175.db2.gz YYTBAILMANKHQP-NWDGAFQWSA-N 0 3 248.370 3.563 20 0 BHADHN Cc1nc(C)c(CNCC(C)(C)C2=CCCC2)o1 ZINC000628304763 349335447 /nfs/dbraw/zinc/33/54/47/349335447.db2.gz RHJISOKPBQJHME-UHFFFAOYSA-N 0 3 248.370 3.518 20 0 BHADHN C[C@@H]1CCCC[C@]1(C)NCc1cnc(C2CC2)o1 ZINC000628305396 349500520 /nfs/dbraw/zinc/50/05/20/349500520.db2.gz YZCRGVKJVIGYOQ-ABAIWWIYSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@@H]1CCCC[C@@]1(C)NCc1cnc(C2CC2)o1 ZINC000628305397 349500565 /nfs/dbraw/zinc/50/05/65/349500565.db2.gz YZCRGVKJVIGYOQ-IAQYHMDHSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H]1CCCC[C@]1(C)NCc1cnc(C2CC2)o1 ZINC000628305398 349500546 /nfs/dbraw/zinc/50/05/46/349500546.db2.gz YZCRGVKJVIGYOQ-NHYWBVRUSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H]1CCCC[C@@]1(C)NCc1cnc(C2CC2)o1 ZINC000628305399 349500951 /nfs/dbraw/zinc/50/09/51/349500951.db2.gz YZCRGVKJVIGYOQ-XHDPSFHLSA-N 0 3 248.370 3.610 20 0 BHADHN Cc1ccc([C@H](C)CN2CC3(CC(F)C3)C2)cc1 ZINC000628307107 350439282 /nfs/dbraw/zinc/43/92/82/350439282.db2.gz NSJWVIOTVLYNGL-CYBMUJFWSA-N 0 3 247.357 3.532 20 0 BHADHN Cc1ccc([C@@H](C)CN2CC3(CC(F)C3)C2)cc1 ZINC000628307108 350439015 /nfs/dbraw/zinc/43/90/15/350439015.db2.gz NSJWVIOTVLYNGL-ZDUSSCGKSA-N 0 3 247.357 3.532 20 0 BHADHN CCN(Cc1cnc(C2CC2)o1)C1CC(C)(C)C1 ZINC000628312384 350813462 /nfs/dbraw/zinc/81/34/62/350813462.db2.gz ZLURWOJYWMJTSP-UHFFFAOYSA-N 0 3 248.370 3.563 20 0 BHADHN Cc1ncc(CN2CCCC3(CCCC3)CC2)o1 ZINC000628337959 351281127 /nfs/dbraw/zinc/28/11/27/351281127.db2.gz VYBPYLYMEJZEKI-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN CCC(CC)CCCN(C)Cc1cnc(C)o1 ZINC000628352155 351314307 /nfs/dbraw/zinc/31/43/07/351314307.db2.gz YKYVZFDCQHQPTA-UHFFFAOYSA-N 0 3 238.375 3.631 20 0 BHADHN Cc1cc2cc(CN3C[C@@H]4C[C@@H]4C3)oc2cc1C ZINC000628408437 357204777 /nfs/dbraw/zinc/20/47/77/357204777.db2.gz ACDOIRVJHKVKNI-OKILXGFUSA-N 0 3 241.334 3.501 20 0 BHADHN Clc1oc2ccccc2c1CN1C[C@@H]2C[C@@H]2C1 ZINC000628410753 357217238 /nfs/dbraw/zinc/21/72/38/357217238.db2.gz REUHFUCLWFQMDF-AOOOYVTPSA-N 0 3 247.725 3.538 20 0 BHADHN Cc1ccsc1CN1CCCC(F)(F)CC1 ZINC000628422286 357243204 /nfs/dbraw/zinc/24/32/04/357243204.db2.gz VWPRLXMTODICQU-UHFFFAOYSA-N 0 3 245.338 3.678 20 0 BHADHN Cc1ccc(CN2CCCC(F)(F)CC2)s1 ZINC000628422372 357243185 /nfs/dbraw/zinc/24/31/85/357243185.db2.gz ZZDKCXQPOWDRRN-UHFFFAOYSA-N 0 3 245.338 3.678 20 0 BHADHN Cc1sccc1CN1CCCC(F)(F)CC1 ZINC000628422502 357245472 /nfs/dbraw/zinc/24/54/72/357245472.db2.gz PFZDWVVBSFXKQJ-UHFFFAOYSA-N 0 3 245.338 3.678 20 0 BHADHN Clc1ccc(CN2CCCC3(CC3)CC2)o1 ZINC000628480245 359318466 /nfs/dbraw/zinc/31/84/66/359318466.db2.gz HZRLDSFINFKYID-UHFFFAOYSA-N 0 3 239.746 3.699 20 0 BHADHN c1ccc2c(c1)CN(CC1CCCCCC1)C2 ZINC000630343346 364066405 /nfs/dbraw/zinc/06/64/05/364066405.db2.gz KSLCMGUPYUOPIK-UHFFFAOYSA-N 0 3 229.367 3.973 20 0 BHADHN Fc1ccc2c(c1)CCN(CCC1CCCC1)C2 ZINC000630343909 364068475 /nfs/dbraw/zinc/06/84/75/364068475.db2.gz XGIASCDIEWCIHX-UHFFFAOYSA-N 0 3 247.357 3.764 20 0 BHADHN CC(C)(C)Cc1csc([C@H]2CCCCN2)n1 ZINC000630380935 364095781 /nfs/dbraw/zinc/09/57/81/364095781.db2.gz KZPDZRUALKTHFB-LLVKDONJSA-N 0 3 238.400 3.546 20 0 BHADHN CC(C)(C)Cc1csc([C@@H]2CCCCN2)n1 ZINC000630380946 364096417 /nfs/dbraw/zinc/09/64/17/364096417.db2.gz KZPDZRUALKTHFB-NSHDSACASA-N 0 3 238.400 3.546 20 0 BHADHN Cc1ccsc1CNCc1ccc(C)cc1F ZINC000631052006 371122760 /nfs/dbraw/zinc/12/27/60/371122760.db2.gz MNPIEQRNJRFDJL-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN Cc1ccc(CNCCCC(F)(F)F)c(F)c1 ZINC000631081350 371542691 /nfs/dbraw/zinc/54/26/91/371542691.db2.gz NUKYKSADBGYIGX-UHFFFAOYSA-N 0 3 249.251 3.566 20 0 BHADHN Cc1scc(CN[C@@H]2CCC(F)(F)C2)c1C ZINC000631090744 344947773 /nfs/dbraw/zinc/94/77/73/344947773.db2.gz SNONTVARSZHMKX-LLVKDONJSA-N 0 3 245.338 3.642 20 0 BHADHN Cc1scc(CN[C@H]2CCC(F)(F)C2)c1C ZINC000631090749 344948009 /nfs/dbraw/zinc/94/80/09/344948009.db2.gz SNONTVARSZHMKX-NSHDSACASA-N 0 3 245.338 3.642 20 0 BHADHN FCCCNCc1oc2ccccc2c1Cl ZINC000631090916 344948840 /nfs/dbraw/zinc/94/88/40/344948840.db2.gz JEJMOZZBPRHUDF-UHFFFAOYSA-N 0 3 241.693 3.535 20 0 BHADHN Cc1ccc(CN[C@H](C)CC(F)(F)F)c(F)c1 ZINC000631113637 344927445 /nfs/dbraw/zinc/92/74/45/344927445.db2.gz OQGFKRXGBRGDQU-SECBINFHSA-N 0 3 249.251 3.565 20 0 BHADHN Cc1ccc(CN[C@@H](C)CC(F)(F)F)c(F)c1 ZINC000631113640 344927585 /nfs/dbraw/zinc/92/75/85/344927585.db2.gz OQGFKRXGBRGDQU-VIFPVBQESA-N 0 3 249.251 3.565 20 0 BHADHN Cc1cc(CNCC(C)(C)C2=CCCCC2)on1 ZINC000631114142 345960643 /nfs/dbraw/zinc/96/06/43/345960643.db2.gz RFVOBXFUGUUUNV-UHFFFAOYSA-N 0 3 248.370 3.599 20 0 BHADHN Cc1ccc(CNCCCC(C)(F)F)c(F)c1 ZINC000631147202 344910118 /nfs/dbraw/zinc/91/01/18/344910118.db2.gz LXXYUVUIPHIIRY-UHFFFAOYSA-N 0 3 245.288 3.659 20 0 BHADHN Cc1scc(CN[C@@H]2C[C@H]2c2ccco2)c1C ZINC000631158876 372211584 /nfs/dbraw/zinc/21/15/84/372211584.db2.gz IYXMIXXJLYUQDB-CHWSQXEVSA-N 0 3 247.363 3.604 20 0 BHADHN CC[C@](C)(NCc1cc[nH]c1)c1ccc(F)cc1 ZINC000631192819 360589836 /nfs/dbraw/zinc/58/98/36/360589836.db2.gz AOIFXAAPFDDMOD-HNNXBMFYSA-N 0 3 246.329 3.569 20 0 BHADHN CC[C@@](C)(NCc1cc[nH]c1)c1ccc(F)cc1 ZINC000631192826 360589668 /nfs/dbraw/zinc/58/96/68/360589668.db2.gz AOIFXAAPFDDMOD-OAHLLOKOSA-N 0 3 246.329 3.569 20 0 BHADHN CCC[C@@H](NC1CC(C)C1)c1cc(C)ccn1 ZINC000631597176 372450240 /nfs/dbraw/zinc/45/02/40/372450240.db2.gz WFJSDCNVDRPYSA-JXQTWKCFSA-N 0 3 232.371 3.619 20 0 BHADHN CCC[C@H](NC1CC(C)C1)c1cc(C)ccn1 ZINC000631597177 372450360 /nfs/dbraw/zinc/45/03/60/372450360.db2.gz WFJSDCNVDRPYSA-RUXDESIVSA-N 0 3 232.371 3.619 20 0 BHADHN c1cnc2c(c1)[C@@H](NCC1=CCCCC1)CCC2 ZINC000631633238 372470979 /nfs/dbraw/zinc/47/09/79/372470979.db2.gz CHXZASCAJCXHQW-INIZCTEOSA-N 0 3 242.366 3.549 20 0 BHADHN c1cnc2c(c1)[C@H](NCC1=CCCCC1)CCC2 ZINC000631633265 372471033 /nfs/dbraw/zinc/47/10/33/372471033.db2.gz CHXZASCAJCXHQW-MRXNPFEDSA-N 0 3 242.366 3.549 20 0 BHADHN CCC[C@@H](NCC[C@@H](C)F)c1cc(C)ccn1 ZINC000631633842 372472484 /nfs/dbraw/zinc/47/24/84/372472484.db2.gz FZDOJTYGFJXLCL-CHWSQXEVSA-N 0 3 238.350 3.569 20 0 BHADHN CCC[C@H](NCC[C@@H](C)F)c1cc(C)ccn1 ZINC000631633843 372472260 /nfs/dbraw/zinc/47/22/60/372472260.db2.gz FZDOJTYGFJXLCL-OLZOCXBDSA-N 0 3 238.350 3.569 20 0 BHADHN CCC[C@@H](NCC[C@H](C)F)c1cc(C)ccn1 ZINC000631633844 372471833 /nfs/dbraw/zinc/47/18/33/372471833.db2.gz FZDOJTYGFJXLCL-QWHCGFSZSA-N 0 3 238.350 3.569 20 0 BHADHN CCC[C@H](NCC[C@H](C)F)c1cc(C)ccn1 ZINC000631633845 372472540 /nfs/dbraw/zinc/47/25/40/372472540.db2.gz FZDOJTYGFJXLCL-STQMWFEESA-N 0 3 238.350 3.569 20 0 BHADHN CC[C@@H](NCC(C)(C)F)c1cccs1 ZINC000631657447 357039418 /nfs/dbraw/zinc/03/94/18/357039418.db2.gz DAGNUHLLXGHZIJ-SECBINFHSA-N 0 3 215.337 3.537 20 0 BHADHN CC[C@H](NCC(C)(C)F)c1cccs1 ZINC000631657450 357039367 /nfs/dbraw/zinc/03/93/67/357039367.db2.gz DAGNUHLLXGHZIJ-VIFPVBQESA-N 0 3 215.337 3.537 20 0 BHADHN Cc1ccc(C2CC(NCC(C)(C)F)C2)cc1 ZINC000631660762 357197211 /nfs/dbraw/zinc/19/72/11/357197211.db2.gz GHOALNXBVXESDO-UHFFFAOYSA-N 0 3 235.346 3.579 20 0 BHADHN CC(C)(F)CN[C@@H]1CCSc2ccccc21 ZINC000631660790 357198009 /nfs/dbraw/zinc/19/80/09/357198009.db2.gz YQVAQPIIENBTGW-LLVKDONJSA-N 0 3 239.359 3.561 20 0 BHADHN CC(C)(F)CN[C@H]1CCSc2ccccc21 ZINC000631660792 357198180 /nfs/dbraw/zinc/19/81/80/357198180.db2.gz YQVAQPIIENBTGW-NSHDSACASA-N 0 3 239.359 3.561 20 0 BHADHN CC(C)C[C@@H](NCC(C)(C)F)c1ccncc1 ZINC000631660844 372487257 /nfs/dbraw/zinc/48/72/57/372487257.db2.gz GPPDZDJCHXOMMI-CYBMUJFWSA-N 0 3 238.350 3.507 20 0 BHADHN CC(C)C[C@H](NCC(C)(C)F)c1ccncc1 ZINC000631660845 372486159 /nfs/dbraw/zinc/48/61/59/372486159.db2.gz GPPDZDJCHXOMMI-ZDUSSCGKSA-N 0 3 238.350 3.507 20 0 BHADHN Cc1ccc([C@H](C)N[C@H]2CCCC23CC3)o1 ZINC000631660854 372486130 /nfs/dbraw/zinc/48/61/30/372486130.db2.gz ACTILMRSAJOOJK-AAEUAGOBSA-N 0 3 219.328 3.571 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2CCCC23CC3)o1 ZINC000631660857 372486003 /nfs/dbraw/zinc/48/60/03/372486003.db2.gz ACTILMRSAJOOJK-DGCLKSJQSA-N 0 3 219.328 3.571 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2CCCC23CC3)o1 ZINC000631660860 372486705 /nfs/dbraw/zinc/48/67/05/372486705.db2.gz ACTILMRSAJOOJK-WCQYABFASA-N 0 3 219.328 3.571 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H]2CCCC23CC3)o1 ZINC000631660862 372486510 /nfs/dbraw/zinc/48/65/10/372486510.db2.gz ACTILMRSAJOOJK-YPMHNXCESA-N 0 3 219.328 3.571 20 0 BHADHN Cc1ccccc1C1CC(NCC(C)(C)F)C1 ZINC000631661446 372486527 /nfs/dbraw/zinc/48/65/27/372486527.db2.gz ILVMIRQKLUAHRR-UHFFFAOYSA-N 0 3 235.346 3.579 20 0 BHADHN CC[C@H](NCC(C)(C)F)c1ccsc1 ZINC000631665691 372491203 /nfs/dbraw/zinc/49/12/03/372491203.db2.gz YEQLAUQEPZZVIY-JTQLQIEISA-N 0 3 215.337 3.537 20 0 BHADHN CC[C@@H](NCC(C)(C)F)c1ccsc1 ZINC000631665692 372491238 /nfs/dbraw/zinc/49/12/38/372491238.db2.gz YEQLAUQEPZZVIY-SNVBAGLBSA-N 0 3 215.337 3.537 20 0 BHADHN CC[C@H](N[C@@H]1CCCC12CC2)c1ccc(F)cn1 ZINC000631666335 372492286 /nfs/dbraw/zinc/49/22/86/372492286.db2.gz XIPOQLJRKPWQAF-GXTWGEPZSA-N 0 3 248.345 3.594 20 0 BHADHN CC[C@H](N[C@H]1CCCC12CC2)c1ccc(F)cn1 ZINC000631666336 372492652 /nfs/dbraw/zinc/49/26/52/372492652.db2.gz XIPOQLJRKPWQAF-JSGCOSHPSA-N 0 3 248.345 3.594 20 0 BHADHN CC[C@@H](N[C@H]1CCCC12CC2)c1ccc(F)cn1 ZINC000631666337 372492763 /nfs/dbraw/zinc/49/27/63/372492763.db2.gz XIPOQLJRKPWQAF-OCCSQVGLSA-N 0 3 248.345 3.594 20 0 BHADHN CC[C@@H](N[C@@H]1CCCC12CC2)c1ccc(F)cn1 ZINC000631666338 372492022 /nfs/dbraw/zinc/49/20/22/372492022.db2.gz XIPOQLJRKPWQAF-TZMCWYRMSA-N 0 3 248.345 3.594 20 0 BHADHN CCC(C)(C)CCN[C@H](C)c1ccc(F)cn1 ZINC000631684770 364554918 /nfs/dbraw/zinc/55/49/18/364554918.db2.gz URFIRHHCKPRGIR-LLVKDONJSA-N 0 3 238.350 3.698 20 0 BHADHN CCC(C)(C)CCN[C@@H](C)c1ccc(F)cn1 ZINC000631684771 364555146 /nfs/dbraw/zinc/55/51/46/364555146.db2.gz URFIRHHCKPRGIR-NSHDSACASA-N 0 3 238.350 3.698 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)cs1 ZINC000631753353 372555766 /nfs/dbraw/zinc/55/57/66/372555766.db2.gz KCNYHAHGADHRAH-FXBDTBDDSA-N 0 3 249.301 3.658 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)cs1 ZINC000631753354 372555118 /nfs/dbraw/zinc/55/51/18/372555118.db2.gz KCNYHAHGADHRAH-SZEHBUNVSA-N 0 3 249.301 3.658 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccsc1 ZINC000631753753 372555436 /nfs/dbraw/zinc/55/54/36/372555436.db2.gz SORAPMDUXLKUTP-KXUCPTDWSA-N 0 3 249.301 3.740 20 0 BHADHN CC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccsc1 ZINC000631753754 372555468 /nfs/dbraw/zinc/55/54/68/372555468.db2.gz SORAPMDUXLKUTP-OPRDCNLKSA-N 0 3 249.301 3.740 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)s1 ZINC000631755587 372558784 /nfs/dbraw/zinc/55/87/84/372558784.db2.gz CMTBIJPITWEMPN-DJLDLDEBSA-N 0 3 249.301 3.658 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)s1 ZINC000631755588 372558121 /nfs/dbraw/zinc/55/81/21/372558121.db2.gz CMTBIJPITWEMPN-IWSPIJDZSA-N 0 3 249.301 3.658 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 ZINC000631755918 372560292 /nfs/dbraw/zinc/56/02/92/372560292.db2.gz GVRSXVISTLSMIH-GRYCIOLGSA-N 0 3 243.272 3.678 20 0 BHADHN CC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 ZINC000631755919 372559922 /nfs/dbraw/zinc/55/99/22/372559922.db2.gz GVRSXVISTLSMIH-IJLUTSLNSA-N 0 3 243.272 3.678 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccs1 ZINC000631756479 372560065 /nfs/dbraw/zinc/56/00/65/372560065.db2.gz LVLWWURRKOKFDH-HRDYMLBCSA-N 0 3 249.301 3.740 20 0 BHADHN CC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccs1 ZINC000631756480 372560009 /nfs/dbraw/zinc/56/00/09/372560009.db2.gz LVLWWURRKOKFDH-IWSPIJDZSA-N 0 3 249.301 3.740 20 0 BHADHN Cc1cccc([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000631756519 372560538 /nfs/dbraw/zinc/56/05/38/372560538.db2.gz MPLFEEGZIJHUPF-MVWJERBFSA-N 0 3 243.272 3.596 20 0 BHADHN Cc1cccc([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000631756520 372560480 /nfs/dbraw/zinc/56/04/80/372560480.db2.gz MPLFEEGZIJHUPF-YUSALJHKSA-N 0 3 243.272 3.596 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631756979 364678426 /nfs/dbraw/zinc/67/84/26/364678426.db2.gz SYDGQKJUWXJLBZ-MVWJERBFSA-N 0 3 243.272 3.596 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631756991 364678918 /nfs/dbraw/zinc/67/89/18/364678918.db2.gz SYDGQKJUWXJLBZ-YUSALJHKSA-N 0 3 243.272 3.596 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000631756998 364678411 /nfs/dbraw/zinc/67/84/11/364678411.db2.gz TVPLSBNWFHXXNT-MVWJERBFSA-N 0 3 243.272 3.596 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000631757001 364678658 /nfs/dbraw/zinc/67/86/58/364678658.db2.gz TVPLSBNWFHXXNT-YUSALJHKSA-N 0 3 243.272 3.596 20 0 BHADHN Cc1ccsc1[C@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631757011 364678957 /nfs/dbraw/zinc/67/89/57/364678957.db2.gz TYYQDWILRNAHTD-DJLDLDEBSA-N 0 3 249.301 3.658 20 0 BHADHN Cc1ccsc1[C@@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631757071 364678493 /nfs/dbraw/zinc/67/84/93/364678493.db2.gz TYYQDWILRNAHTD-IWSPIJDZSA-N 0 3 249.301 3.658 20 0 BHADHN C[C@@H](CC1CC1)N[C@@H](CF)c1ccc(F)cc1 ZINC000631795344 372579282 /nfs/dbraw/zinc/57/92/82/372579282.db2.gz IJWQQEFDCVNOMY-HZMBPMFUSA-N 0 3 239.309 3.615 20 0 BHADHN C[C@@H](CC1CC1)N[C@H](CF)c1ccc(F)cc1 ZINC000631795345 372579419 /nfs/dbraw/zinc/57/94/19/372579419.db2.gz IJWQQEFDCVNOMY-IINYFYTJSA-N 0 3 239.309 3.615 20 0 BHADHN C[C@H](CC1CC1)N[C@H](CF)c1ccc(F)cc1 ZINC000631795346 372580525 /nfs/dbraw/zinc/58/05/25/372580525.db2.gz IJWQQEFDCVNOMY-QMTHXVAHSA-N 0 3 239.309 3.615 20 0 BHADHN C[C@H](CC1CC1)N[C@@H](CF)c1ccc(F)cc1 ZINC000631795347 372579696 /nfs/dbraw/zinc/57/96/96/372579696.db2.gz IJWQQEFDCVNOMY-YGRLFVJLSA-N 0 3 239.309 3.615 20 0 BHADHN CC[C@H](N[C@@H](CF)c1ccc(F)cc1)C1CC1 ZINC000631796153 372580026 /nfs/dbraw/zinc/58/00/26/372580026.db2.gz RXBVISCXPIRKKV-KBPBESRZSA-N 0 3 239.309 3.615 20 0 BHADHN CC[C@@H](N[C@@H](CF)c1ccc(F)cc1)C1CC1 ZINC000631796154 372579214 /nfs/dbraw/zinc/57/92/14/372579214.db2.gz RXBVISCXPIRKKV-KGLIPLIRSA-N 0 3 239.309 3.615 20 0 BHADHN CC[C@H](N[C@H](CF)c1ccc(F)cc1)C1CC1 ZINC000631796155 372580195 /nfs/dbraw/zinc/58/01/95/372580195.db2.gz RXBVISCXPIRKKV-UONOGXRCSA-N 0 3 239.309 3.615 20 0 BHADHN CC[C@@H](N[C@H](CF)c1ccc(F)cc1)C1CC1 ZINC000631796156 372579473 /nfs/dbraw/zinc/57/94/73/372579473.db2.gz RXBVISCXPIRKKV-ZIAGYGMSSA-N 0 3 239.309 3.615 20 0 BHADHN CCCCN(CC)Cc1ccc(C(F)F)nc1 ZINC000637834852 351688730 /nfs/dbraw/zinc/68/87/30/351688730.db2.gz AMBZZQXIXAJSMR-UHFFFAOYSA-N 0 3 242.313 3.641 20 0 BHADHN CCC[C@H](C)N(C)Cc1ccc(C(F)F)nc1 ZINC000637910898 351784748 /nfs/dbraw/zinc/78/47/48/351784748.db2.gz GTWDEZSMTZFCJC-JTQLQIEISA-N 0 3 242.313 3.640 20 0 BHADHN CCC[C@@H](C)N(C)Cc1ccc(C(F)F)nc1 ZINC000637910899 351784796 /nfs/dbraw/zinc/78/47/96/351784796.db2.gz GTWDEZSMTZFCJC-SNVBAGLBSA-N 0 3 242.313 3.640 20 0 BHADHN Cc1ncc([C@@H](C)N(C)[C@@H](C)C(C)(C)C)c(C)n1 ZINC000637930430 351806769 /nfs/dbraw/zinc/80/67/69/351806769.db2.gz NMLINBVYACNZJX-NEPJUHHUSA-N 0 3 249.402 3.521 20 0 BHADHN Cc1ncc([C@H](C)N(C)[C@H](C)C(C)(C)C)c(C)n1 ZINC000637930431 351807251 /nfs/dbraw/zinc/80/72/51/351807251.db2.gz NMLINBVYACNZJX-NWDGAFQWSA-N 0 3 249.402 3.521 20 0 BHADHN Cc1ncc([C@H](C)N(C)[C@@H](C)C(C)(C)C)c(C)n1 ZINC000637930432 351806805 /nfs/dbraw/zinc/80/68/05/351806805.db2.gz NMLINBVYACNZJX-RYUDHWBXSA-N 0 3 249.402 3.521 20 0 BHADHN Cc1ncc([C@@H](C)N(C)[C@H](C)C(C)(C)C)c(C)n1 ZINC000637930433 351806898 /nfs/dbraw/zinc/80/68/98/351806898.db2.gz NMLINBVYACNZJX-VXGBXAGGSA-N 0 3 249.402 3.521 20 0 BHADHN Cc1cc([C@H]2CCCN2CC2(C(C)C)CC2)on1 ZINC000637948780 351823507 /nfs/dbraw/zinc/82/35/07/351823507.db2.gz REVBFGXGSDBJGA-CYBMUJFWSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cc([C@@H]2CCCN2CC2(C(C)C)CC2)on1 ZINC000637948781 351823937 /nfs/dbraw/zinc/82/39/37/351823937.db2.gz REVBFGXGSDBJGA-ZDUSSCGKSA-N 0 3 248.370 3.556 20 0 BHADHN c1c(CNCCCC2CCCC2)onc1C1CC1 ZINC000638277468 352112190 /nfs/dbraw/zinc/11/21/90/352112190.db2.gz AZFIYMQXFDLLOP-UHFFFAOYSA-N 0 3 248.370 3.612 20 0 BHADHN CC1(NCc2nc3ccccc3o2)CCCCC1 ZINC000638305617 352134465 /nfs/dbraw/zinc/13/44/65/352134465.db2.gz CSLZXBNPMLOVOJ-UHFFFAOYSA-N 0 3 244.338 3.640 20 0 BHADHN c1c(CNCCC2=CCCCC2)onc1C1CC1 ZINC000638318603 352141458 /nfs/dbraw/zinc/14/14/58/352141458.db2.gz QSJZUBQAYHGRFG-UHFFFAOYSA-N 0 3 246.354 3.532 20 0 BHADHN c1c(CNCCC2CCCCC2)onc1C1CC1 ZINC000638332743 352150955 /nfs/dbraw/zinc/15/09/55/352150955.db2.gz JZNMSRVUYGPJFB-UHFFFAOYSA-N 0 3 248.370 3.612 20 0 BHADHN CCC1CCC(NCc2cc(C3CC3)no2)CC1 ZINC000638388958 352196097 /nfs/dbraw/zinc/19/60/97/352196097.db2.gz KMIVBJPIOODCLP-UHFFFAOYSA-N 0 3 248.370 3.610 20 0 BHADHN c1csc(CNC2CCC(=C3CCC3)CC2)n1 ZINC000638397602 352201688 /nfs/dbraw/zinc/20/16/88/352201688.db2.gz UEKZPTNOUWRCRJ-UHFFFAOYSA-N 0 3 248.395 3.656 20 0 BHADHN Cc1cc(CN[C@@H](C)[C@H]2CCC(C)=C(C)C2)no1 ZINC000638420873 352229041 /nfs/dbraw/zinc/22/90/41/352229041.db2.gz QBKYJZLOZWLPDT-KBPBESRZSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1cc(CN[C@H](C)[C@H]2CCC(C)=C(C)C2)no1 ZINC000638420874 352228805 /nfs/dbraw/zinc/22/88/05/352228805.db2.gz QBKYJZLOZWLPDT-KGLIPLIRSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1cc(CN[C@@H](C)[C@@H]2CCC(C)=C(C)C2)no1 ZINC000638420875 352229134 /nfs/dbraw/zinc/22/91/34/352229134.db2.gz QBKYJZLOZWLPDT-UONOGXRCSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1cc(CN[C@H](C)[C@@H]2CCC(C)=C(C)C2)no1 ZINC000638420876 352229127 /nfs/dbraw/zinc/22/91/27/352229127.db2.gz QBKYJZLOZWLPDT-ZIAGYGMSSA-N 0 3 248.370 3.598 20 0 BHADHN CC1CCC(C)(NCc2cc(C3CC3)no2)CC1 ZINC000638525619 352359732 /nfs/dbraw/zinc/35/97/32/352359732.db2.gz VWVHPHPSOMMCIL-UHFFFAOYSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H]1CCC[C@H](NCc2cc(C3CC3)no2)C1 ZINC000638667153 352511118 /nfs/dbraw/zinc/51/11/18/352511118.db2.gz SPFCCDFUAAYBQK-AAEUAGOBSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H]1CCC[C@@H](NCc2cc(C3CC3)no2)C1 ZINC000638667154 352511131 /nfs/dbraw/zinc/51/11/31/352511131.db2.gz SPFCCDFUAAYBQK-DGCLKSJQSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H]1CCC[C@@H](NCc2cc(C3CC3)no2)C1 ZINC000638667155 352511029 /nfs/dbraw/zinc/51/10/29/352511029.db2.gz SPFCCDFUAAYBQK-WCQYABFASA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H]1CCC[C@H](NCc2cc(C3CC3)no2)C1 ZINC000638667156 352510928 /nfs/dbraw/zinc/51/09/28/352510928.db2.gz SPFCCDFUAAYBQK-YPMHNXCESA-N 0 3 248.370 3.610 20 0 BHADHN CC1(C)CCC(NCc2cc(C3CC3)no2)CC1 ZINC000638676296 352516204 /nfs/dbraw/zinc/51/62/04/352516204.db2.gz RWRCMLIRSGDDNF-UHFFFAOYSA-N 0 3 248.370 3.610 20 0 BHADHN CCC1(CNCc2cc(C3CC3)no2)CCCC1 ZINC000638738631 352663947 /nfs/dbraw/zinc/66/39/47/352663947.db2.gz LUMXCBPVDJPPMG-UHFFFAOYSA-N 0 3 248.370 3.612 20 0 BHADHN CCCC1(CNCc2cc(C3CC3)no2)CCC1 ZINC000638747764 352682413 /nfs/dbraw/zinc/68/24/13/352682413.db2.gz JGRZLKXMGDPWIV-UHFFFAOYSA-N 0 3 248.370 3.612 20 0 BHADHN CC1(CNCc2cc(C3CC3)no2)CCCCC1 ZINC000638759205 352690874 /nfs/dbraw/zinc/69/08/74/352690874.db2.gz HIIFCIBRNBQNRX-UHFFFAOYSA-N 0 3 248.370 3.612 20 0 BHADHN Cc1cc(CN[C@@H](C)[C@H]2CCC(C)=C(C)C2)on1 ZINC000638865647 353039920 /nfs/dbraw/zinc/03/99/20/353039920.db2.gz JMWOIIDTAYRTLO-KBPBESRZSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1cc(CN[C@H](C)[C@H]2CCC(C)=C(C)C2)on1 ZINC000638865648 353039831 /nfs/dbraw/zinc/03/98/31/353039831.db2.gz JMWOIIDTAYRTLO-KGLIPLIRSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1cc(CN[C@@H](C)[C@@H]2CCC(C)=C(C)C2)on1 ZINC000638865649 353040004 /nfs/dbraw/zinc/04/00/04/353040004.db2.gz JMWOIIDTAYRTLO-UONOGXRCSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1cc(CN[C@H](C)[C@@H]2CCC(C)=C(C)C2)on1 ZINC000638865650 353039714 /nfs/dbraw/zinc/03/97/14/353039714.db2.gz JMWOIIDTAYRTLO-ZIAGYGMSSA-N 0 3 248.370 3.598 20 0 BHADHN c1cc(CNCCC2=CCCCCC2)sn1 ZINC000639050238 353345478 /nfs/dbraw/zinc/34/54/78/353345478.db2.gz GFBPJHWVMLLALR-UHFFFAOYSA-N 0 3 236.384 3.513 20 0 BHADHN CC1(C)CCC[C@@H](NCc2cc(C3CC3)no2)C1 ZINC000639090340 353450589 /nfs/dbraw/zinc/45/05/89/353450589.db2.gz LNCMIIOEIJUQDG-GFCCVEGCSA-N 0 3 248.370 3.610 20 0 BHADHN CC1(C)CCC[C@H](NCc2cc(C3CC3)no2)C1 ZINC000639090341 353450302 /nfs/dbraw/zinc/45/03/02/353450302.db2.gz LNCMIIOEIJUQDG-LBPRGKRZSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H]1CCC[C@H](NCc2cc(C3CC3)no2)CC1 ZINC000639091391 353453069 /nfs/dbraw/zinc/45/30/69/353453069.db2.gz SPZAYBTWPBAMPZ-AAEUAGOBSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@@H]1CCC[C@@H](NCc2cc(C3CC3)no2)CC1 ZINC000639091393 353453156 /nfs/dbraw/zinc/45/31/56/353453156.db2.gz SPZAYBTWPBAMPZ-DGCLKSJQSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H]1CCC[C@@H](NCc2cc(C3CC3)no2)CC1 ZINC000639091395 353453066 /nfs/dbraw/zinc/45/30/66/353453066.db2.gz SPZAYBTWPBAMPZ-WCQYABFASA-N 0 3 248.370 3.610 20 0 BHADHN C[C@@H]1CCC[C@H](NCc2cc(C3CC3)no2)CC1 ZINC000639091396 353452987 /nfs/dbraw/zinc/45/29/87/353452987.db2.gz SPZAYBTWPBAMPZ-YPMHNXCESA-N 0 3 248.370 3.610 20 0 BHADHN CCN(CC(C)(C)C)[C@H](C)c1cnc(C)nc1C ZINC000639195920 354597338 /nfs/dbraw/zinc/59/73/38/354597338.db2.gz HRHZYHNMAQWTKA-GFCCVEGCSA-N 0 3 249.402 3.522 20 0 BHADHN CCN(CC(C)(C)C)[C@@H](C)c1cnc(C)nc1C ZINC000639195921 354597135 /nfs/dbraw/zinc/59/71/35/354597135.db2.gz HRHZYHNMAQWTKA-LBPRGKRZSA-N 0 3 249.402 3.522 20 0 BHADHN CCCC[C@H](C)N(C)[C@@H](C)c1cnc(C)nc1C ZINC000639199356 354602849 /nfs/dbraw/zinc/60/28/49/354602849.db2.gz WOOOIADIOPPFPK-AAEUAGOBSA-N 0 3 249.402 3.665 20 0 BHADHN CCCC[C@@H](C)N(C)[C@H](C)c1cnc(C)nc1C ZINC000639199357 354602900 /nfs/dbraw/zinc/60/29/00/354602900.db2.gz WOOOIADIOPPFPK-DGCLKSJQSA-N 0 3 249.402 3.665 20 0 BHADHN CCCC[C@H](C)N(C)[C@H](C)c1cnc(C)nc1C ZINC000639199359 354602908 /nfs/dbraw/zinc/60/29/08/354602908.db2.gz WOOOIADIOPPFPK-WCQYABFASA-N 0 3 249.402 3.665 20 0 BHADHN CCCC[C@@H](C)N(C)[C@@H](C)c1cnc(C)nc1C ZINC000639199361 354603023 /nfs/dbraw/zinc/60/30/23/354603023.db2.gz WOOOIADIOPPFPK-YPMHNXCESA-N 0 3 249.402 3.665 20 0 BHADHN CC[C@H]1CC[C@H](NCc2cc(C3CC3)no2)CC1 ZINC000639204176 354616874 /nfs/dbraw/zinc/61/68/74/354616874.db2.gz KMIVBJPIOODCLP-AULYBMBSSA-N 0 3 248.370 3.610 20 0 BHADHN CC(C)(C)C(C)(C)NCc1nc2ccccc2o1 ZINC000639205525 354657139 /nfs/dbraw/zinc/65/71/39/354657139.db2.gz XEMTYNXCAYKGRU-UHFFFAOYSA-N 0 3 246.354 3.742 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1cc(C2CC2)no1 ZINC000639224432 354963008 /nfs/dbraw/zinc/96/30/08/354963008.db2.gz JXQBLBYWSSNLOT-GFCCVEGCSA-N 0 3 248.370 3.777 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1cc(C2CC2)no1 ZINC000639224433 354962946 /nfs/dbraw/zinc/96/29/46/354962946.db2.gz JXQBLBYWSSNLOT-LBPRGKRZSA-N 0 3 248.370 3.777 20 0 BHADHN Cc1nocc1CN[C@@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000639228169 355099984 /nfs/dbraw/zinc/09/99/84/355099984.db2.gz QULJIKPANFEQBA-GXTWGEPZSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1nocc1CN[C@@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000639228170 355101121 /nfs/dbraw/zinc/10/11/21/355101121.db2.gz QULJIKPANFEQBA-JSGCOSHPSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1nocc1CN[C@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000639228171 355100848 /nfs/dbraw/zinc/10/08/48/355100848.db2.gz QULJIKPANFEQBA-OCCSQVGLSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1nocc1CN[C@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000639228172 355101018 /nfs/dbraw/zinc/10/10/18/355101018.db2.gz QULJIKPANFEQBA-TZMCWYRMSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1nocc1CN[C@@H](C)C[C@H](C)CC(C)C ZINC000639228340 355097315 /nfs/dbraw/zinc/09/73/15/355097315.db2.gz RYSPOMLVCABKOR-NEPJUHHUSA-N 0 3 238.375 3.533 20 0 BHADHN Cc1nocc1CN[C@H](C)C[C@@H](C)CC(C)C ZINC000639228341 355097419 /nfs/dbraw/zinc/09/74/19/355097419.db2.gz RYSPOMLVCABKOR-NWDGAFQWSA-N 0 3 238.375 3.533 20 0 BHADHN Cc1nocc1CN[C@@H](C)C[C@@H](C)CC(C)C ZINC000639228342 355097350 /nfs/dbraw/zinc/09/73/50/355097350.db2.gz RYSPOMLVCABKOR-RYUDHWBXSA-N 0 3 238.375 3.533 20 0 BHADHN Cc1nocc1CN[C@H](C)C[C@H](C)CC(C)C ZINC000639228343 355098608 /nfs/dbraw/zinc/09/86/08/355098608.db2.gz RYSPOMLVCABKOR-VXGBXAGGSA-N 0 3 238.375 3.533 20 0 BHADHN c1c(CNCC2CCCCCC2)onc1C1CC1 ZINC000639229489 355119389 /nfs/dbraw/zinc/11/93/89/355119389.db2.gz XDNFNZFUXJATGZ-UHFFFAOYSA-N 0 3 248.370 3.612 20 0 BHADHN CCC1(NCc2cc(C3CC3)no2)CCCCC1 ZINC000639235272 355218030 /nfs/dbraw/zinc/21/80/30/355218030.db2.gz INAVBKIHVDIJKR-UHFFFAOYSA-N 0 3 248.370 3.755 20 0 BHADHN CC[C@H](NCc1cc(C2CC2)no1)C1CCCC1 ZINC000639236130 355220865 /nfs/dbraw/zinc/22/08/65/355220865.db2.gz PINAJNZCZCBXBQ-AWEZNQCLSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H](NCc1cc(C2CC2)no1)C1CCCC1 ZINC000639236131 355220796 /nfs/dbraw/zinc/22/07/96/355220796.db2.gz PINAJNZCZCBXBQ-CQSZACIVSA-N 0 3 248.370 3.610 20 0 BHADHN CC(C)N(Cc1ccns1)C1CC(C)(C)C1 ZINC000639243066 355229870 /nfs/dbraw/zinc/22/98/70/355229870.db2.gz UDGVQNKJHYIBHI-UHFFFAOYSA-N 0 3 238.400 3.542 20 0 BHADHN C[C@H](CC(C)(C)C)NCc1nc2ccccc2o1 ZINC000639246416 355274671 /nfs/dbraw/zinc/27/46/71/355274671.db2.gz HPNRCCLERVJMJB-LLVKDONJSA-N 0 3 246.354 3.742 20 0 BHADHN C[C@@H](CC(C)(C)C)NCc1nc2ccccc2o1 ZINC000639246417 355274717 /nfs/dbraw/zinc/27/47/17/355274717.db2.gz HPNRCCLERVJMJB-NSHDSACASA-N 0 3 246.354 3.742 20 0 BHADHN Cc1ncc(CN[C@@H](C)[C@@H]2CCC(C)=C(C)C2)o1 ZINC000639257385 355302350 /nfs/dbraw/zinc/30/23/50/355302350.db2.gz NDEUBWZNSHLHHI-GXTWGEPZSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1ncc(CN[C@@H](C)[C@H]2CCC(C)=C(C)C2)o1 ZINC000639257386 355302886 /nfs/dbraw/zinc/30/28/86/355302886.db2.gz NDEUBWZNSHLHHI-JSGCOSHPSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1ncc(CN[C@H](C)[C@H]2CCC(C)=C(C)C2)o1 ZINC000639257390 355302730 /nfs/dbraw/zinc/30/27/30/355302730.db2.gz NDEUBWZNSHLHHI-OCCSQVGLSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1ncc(CN[C@H](C)[C@@H]2CCC(C)=C(C)C2)o1 ZINC000639257391 355302826 /nfs/dbraw/zinc/30/28/26/355302826.db2.gz NDEUBWZNSHLHHI-TZMCWYRMSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1ncc([C@@H](C)N(C)CCC(C)(C)C)c(C)n1 ZINC000639282918 386843616 /nfs/dbraw/zinc/84/36/16/386843616.db2.gz HBHINAGYBYSSCU-GFCCVEGCSA-N 0 3 249.402 3.522 20 0 BHADHN Cc1ncc([C@H](C)N(C)CCC(C)(C)C)c(C)n1 ZINC000639282919 386843547 /nfs/dbraw/zinc/84/35/47/386843547.db2.gz HBHINAGYBYSSCU-LBPRGKRZSA-N 0 3 249.402 3.522 20 0 BHADHN Cc1cc(C)c(CN2CCC23CCCC3)c(C)n1 ZINC000639719860 356617895 /nfs/dbraw/zinc/61/78/95/356617895.db2.gz QOMOAGUCVIEGMH-UHFFFAOYSA-N 0 3 244.382 3.525 20 0 BHADHN CC1(F)CCN(CCCCC(F)(F)F)CC1 ZINC000640071452 358161957 /nfs/dbraw/zinc/16/19/57/358161957.db2.gz NQPVSIJTISXCQZ-UHFFFAOYSA-N 0 3 241.272 3.543 20 0 BHADHN FCCCCCN[C@H](CF)c1ccc(F)cc1 ZINC000640155518 358439098 /nfs/dbraw/zinc/43/90/98/358439098.db2.gz WLINQYLEWOQBSB-CYBMUJFWSA-N 0 3 245.288 3.566 20 0 BHADHN FCCCCCN[C@@H](CF)c1ccc(F)cc1 ZINC000640155519 358439159 /nfs/dbraw/zinc/43/91/59/358439159.db2.gz WLINQYLEWOQBSB-ZDUSSCGKSA-N 0 3 245.288 3.566 20 0 BHADHN Cc1cc(CN2CC[C@@]2(C)C2CCCCC2)on1 ZINC000640220187 358892868 /nfs/dbraw/zinc/89/28/68/358892868.db2.gz QZEHSNMWJZICAD-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1cc(CN2CC[C@]2(C)C2CCCCC2)on1 ZINC000640220188 358893173 /nfs/dbraw/zinc/89/31/73/358893173.db2.gz QZEHSNMWJZICAD-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1nocc1CN1CC[C@@]1(C)C1CCCCC1 ZINC000640220277 358894154 /nfs/dbraw/zinc/89/41/54/358894154.db2.gz SBXVCAYDYJOFEU-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1nocc1CN1CC[C@]1(C)C1CCCCC1 ZINC000640220278 358894079 /nfs/dbraw/zinc/89/40/79/358894079.db2.gz SBXVCAYDYJOFEU-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN CSc1ccc(CNC(C)(C)C(C)C)o1 ZINC000641720774 362638236 /nfs/dbraw/zinc/63/82/36/362638236.db2.gz RQOBSHJMDDOVEQ-UHFFFAOYSA-N 0 3 227.373 3.526 20 0 BHADHN CSc1ccc(CNc2cc(C)cc(C)n2)o1 ZINC000641740547 362665314 /nfs/dbraw/zinc/66/53/14/362665314.db2.gz AJMZBJYFVAXUQH-UHFFFAOYSA-N 0 3 248.351 3.625 20 0 BHADHN CSc1ccc(CNCCC2=CCCC2)o1 ZINC000641741796 362668397 /nfs/dbraw/zinc/66/83/97/362668397.db2.gz IMWIDABSHAVFHE-UHFFFAOYSA-N 0 3 237.368 3.592 20 0 BHADHN CSc1ccc(CNCCCC(C)(F)F)o1 ZINC000641757294 362687059 /nfs/dbraw/zinc/68/70/59/362687059.db2.gz UYSSHNITXXJCQS-UHFFFAOYSA-N 0 3 249.326 3.527 20 0 BHADHN CSc1ccc(CNC(C)(C)C2CCC2)o1 ZINC000641758275 362688838 /nfs/dbraw/zinc/68/88/38/362688838.db2.gz LXXPTQPPSSKZRC-UHFFFAOYSA-N 0 3 239.384 3.670 20 0 BHADHN CSc1ccc(CN[C@]2(C)CC=CCC2)o1 ZINC000641759712 362691434 /nfs/dbraw/zinc/69/14/34/362691434.db2.gz GMLRZVJZLBBOCU-CYBMUJFWSA-N 0 3 237.368 3.590 20 0 BHADHN CSc1ccc(CN[C@@]2(C)CC=CCC2)o1 ZINC000641759715 362691152 /nfs/dbraw/zinc/69/11/52/362691152.db2.gz GMLRZVJZLBBOCU-ZDUSSCGKSA-N 0 3 237.368 3.590 20 0 BHADHN CSc1ccc(CN[C@H](C)C(C)(C)C)o1 ZINC000641770110 362706061 /nfs/dbraw/zinc/70/60/61/362706061.db2.gz TUAFUKRBWQZEKE-SECBINFHSA-N 0 3 227.373 3.526 20 0 BHADHN CC[C@@](C)(NCc1ccc(SC)o1)C1CC1 ZINC000641790158 362724397 /nfs/dbraw/zinc/72/43/97/362724397.db2.gz URTBHGZWFSYYKR-CYBMUJFWSA-N 0 3 239.384 3.670 20 0 BHADHN CC[C@](C)(NCc1ccc(SC)o1)C1CC1 ZINC000641790159 362724789 /nfs/dbraw/zinc/72/47/89/362724789.db2.gz URTBHGZWFSYYKR-ZDUSSCGKSA-N 0 3 239.384 3.670 20 0 BHADHN C[C@@H](CC1CC1)NCc1nsc2ccccc21 ZINC000641793080 362728693 /nfs/dbraw/zinc/72/86/93/362728693.db2.gz ZNGAAJYPUCPEAV-JTQLQIEISA-N 0 3 246.379 3.575 20 0 BHADHN C[C@H](CC1CC1)NCc1nsc2ccccc21 ZINC000641793081 362729370 /nfs/dbraw/zinc/72/93/70/362729370.db2.gz ZNGAAJYPUCPEAV-SNVBAGLBSA-N 0 3 246.379 3.575 20 0 BHADHN CC(C)CN(Cc1ccccc1Cl)C1CC1 ZINC000641976893 362817436 /nfs/dbraw/zinc/81/74/36/362817436.db2.gz VVWLWHONIWUARO-UHFFFAOYSA-N 0 3 237.774 3.960 20 0 BHADHN COc1ccc(C)cc1CN(CC(C)C)C1CC1 ZINC000642094244 362851039 /nfs/dbraw/zinc/85/10/39/362851039.db2.gz HWPWIQOTVOLGLN-UHFFFAOYSA-N 0 3 247.382 3.624 20 0 BHADHN C[C@@H](N(C)Cc1ccccc1F)C(C)(C)C ZINC000642095236 362852174 /nfs/dbraw/zinc/85/21/74/362852174.db2.gz IJWOERFMYBMXID-LLVKDONJSA-N 0 3 223.335 3.692 20 0 BHADHN C[C@H](N(C)Cc1ccccc1F)C(C)(C)C ZINC000642095237 362852051 /nfs/dbraw/zinc/85/20/51/362852051.db2.gz IJWOERFMYBMXID-NSHDSACASA-N 0 3 223.335 3.692 20 0 BHADHN CCCCN(Cc1cc(C)ccc1OC)C1CC1 ZINC000642189398 362902295 /nfs/dbraw/zinc/90/22/95/362902295.db2.gz IOYMXUMRJJMEPD-UHFFFAOYSA-N 0 3 247.382 3.768 20 0 BHADHN CCCCN(Cc1ccc(F)c(F)c1)C1CC1 ZINC000642189455 362902013 /nfs/dbraw/zinc/90/20/13/362902013.db2.gz UJKWRINOAYFRBX-UHFFFAOYSA-N 0 3 239.309 3.729 20 0 BHADHN CC(C)[C@@H](C)N(C)Cc1ccccc1Cl ZINC000642253268 362996469 /nfs/dbraw/zinc/99/64/69/362996469.db2.gz UDTXRDCSRKONTN-LLVKDONJSA-N 0 3 225.763 3.816 20 0 BHADHN CC(C)[C@H](C)N(C)Cc1ccccc1Cl ZINC000642253269 362996216 /nfs/dbraw/zinc/99/62/16/362996216.db2.gz UDTXRDCSRKONTN-NSHDSACASA-N 0 3 225.763 3.816 20 0 BHADHN CCC[C@@H](C)N(C)Cc1ccccc1Cl ZINC000642253479 362997373 /nfs/dbraw/zinc/99/73/73/362997373.db2.gz NMDGPTAENXZZAO-LLVKDONJSA-N 0 3 225.763 3.960 20 0 BHADHN CCC[C@H](C)N(C)Cc1ccccc1Cl ZINC000642253480 362997566 /nfs/dbraw/zinc/99/75/66/362997566.db2.gz NMDGPTAENXZZAO-NSHDSACASA-N 0 3 225.763 3.960 20 0 BHADHN Cc1ccc(CCNCc2ccccc2Cl)o1 ZINC000642342650 363448208 /nfs/dbraw/zinc/44/82/08/363448208.db2.gz WXMMTGGRRLZDJP-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN CCN(Cc1ccccc1Cl)CC(C)C ZINC000642342926 363450145 /nfs/dbraw/zinc/45/01/45/363450145.db2.gz RLNIMWBHQUBNPU-UHFFFAOYSA-N 0 3 225.763 3.818 20 0 BHADHN CCN(Cc1ccc(F)cc1Cl)CC(C)C ZINC000642526934 368175247 /nfs/dbraw/zinc/17/52/47/368175247.db2.gz RMSVSGPSKZGLOY-UHFFFAOYSA-N 0 3 243.753 3.957 20 0 BHADHN CN(Cc1ccc(F)cc1F)CC1CCCC1 ZINC000642621382 388626843 /nfs/dbraw/zinc/62/68/43/388626843.db2.gz LJWMCJHPHCTIBB-UHFFFAOYSA-N 0 3 239.309 3.587 20 0 BHADHN Cc1ccc([C@@H](C)N(C)C[C@H]2CCCCO2)cc1 ZINC000642642197 398317767 /nfs/dbraw/zinc/31/77/67/398317767.db2.gz GPIJKWSYTCQNTF-GDBMZVCRSA-N 0 3 247.382 3.557 20 0 BHADHN Cc1ccc([C@H](C)N(C)C[C@H]2CCCCO2)cc1 ZINC000642642198 398317823 /nfs/dbraw/zinc/31/78/23/398317823.db2.gz GPIJKWSYTCQNTF-GOEBONIOSA-N 0 3 247.382 3.557 20 0 BHADHN CC(C)=CCN(C)[C@@H](C)c1ccc(C)cc1 ZINC000642642261 398317790 /nfs/dbraw/zinc/31/77/90/398317790.db2.gz NHUOPZXDVOMTTA-AWEZNQCLSA-N 0 3 217.356 3.954 20 0 BHADHN Cc1cccc(CNC2CC3(C2)CCCCC3)n1 ZINC000643287254 386055715 /nfs/dbraw/zinc/05/57/15/386055715.db2.gz USHLSHYOYMRZCR-UHFFFAOYSA-N 0 3 244.382 3.593 20 0 BHADHN CC(C)COc1ccccc1CNC1CC=CC1 ZINC000643290965 386064885 /nfs/dbraw/zinc/06/48/85/386064885.db2.gz MDJHKSLWARGUME-UHFFFAOYSA-N 0 3 245.366 3.530 20 0 BHADHN Cc1cc(F)c(CNC2CC=CC2)c(Cl)c1 ZINC000643291069 386065459 /nfs/dbraw/zinc/06/54/59/386065459.db2.gz ZPLXGXKHCLEXKG-UHFFFAOYSA-N 0 3 239.721 3.596 20 0 BHADHN CCC[C@@H](C)N[C@H](C)c1ccncc1Cl ZINC000643340998 386533898 /nfs/dbraw/zinc/53/38/98/386533898.db2.gz FRVGZUREWZPDPJ-NXEZZACHSA-N 0 3 226.751 3.574 20 0 BHADHN CCC[C@H](C)N[C@@H](C)c1ccncc1Cl ZINC000643340999 386534502 /nfs/dbraw/zinc/53/45/02/386534502.db2.gz FRVGZUREWZPDPJ-UWVGGRQHSA-N 0 3 226.751 3.574 20 0 BHADHN CCC[C@H](C)N[C@H](C)c1ccncc1Cl ZINC000643341000 386534090 /nfs/dbraw/zinc/53/40/90/386534090.db2.gz FRVGZUREWZPDPJ-VHSXEESVSA-N 0 3 226.751 3.574 20 0 BHADHN CCC[C@@H](C)N[C@@H](C)c1ccncc1Cl ZINC000643341001 386535385 /nfs/dbraw/zinc/53/53/85/386535385.db2.gz FRVGZUREWZPDPJ-ZJUUUORDSA-N 0 3 226.751 3.574 20 0 BHADHN c1ccc2cc(CN3CC(C4CC4)C3)ccc2c1 ZINC000643345136 384375688 /nfs/dbraw/zinc/37/56/88/384375688.db2.gz CTTVHPYNDXGOEQ-UHFFFAOYSA-N 0 3 237.346 3.682 20 0 BHADHN Cc1oc2ccccc2c1CN1CC(C2CC2)C1 ZINC000643345375 384381617 /nfs/dbraw/zinc/38/16/17/384381617.db2.gz UAIUAVREHUBSRO-UHFFFAOYSA-N 0 3 241.334 3.583 20 0 BHADHN C[C@H](CN1CC(C2CC2)C1)c1cccc(Cl)c1 ZINC000643345392 384379750 /nfs/dbraw/zinc/37/97/50/384379750.db2.gz UXHQBYKSCKOIBU-LLVKDONJSA-N 0 3 249.785 3.785 20 0 BHADHN C[C@@H](CN1CC(C2CC2)C1)c1cccc(Cl)c1 ZINC000643345393 384381430 /nfs/dbraw/zinc/38/14/30/384381430.db2.gz UXHQBYKSCKOIBU-NSHDSACASA-N 0 3 249.785 3.785 20 0 BHADHN CCSc1cccc(CN2CC(C3CC3)C2)c1 ZINC000643345407 384380531 /nfs/dbraw/zinc/38/05/31/384380531.db2.gz VMWGFFOILZPBEL-UHFFFAOYSA-N 0 3 247.407 3.640 20 0 BHADHN c1sc2ccccc2c1CN1CC(C2CC2)C1 ZINC000643345760 384423980 /nfs/dbraw/zinc/42/39/80/384423980.db2.gz KUXGTDMVGZJMEO-UHFFFAOYSA-N 0 3 243.375 3.743 20 0 BHADHN CC(C)(C)c1ccc(CN2CC(C3CC3)C2)s1 ZINC000643345776 384423677 /nfs/dbraw/zinc/42/36/77/384423677.db2.gz LRAVYEQOJGDFOR-UHFFFAOYSA-N 0 3 249.423 3.887 20 0 BHADHN CC(C)c1ccc(CN2CC(C3CC3)C2)cc1 ZINC000643345805 384423298 /nfs/dbraw/zinc/42/32/98/384423298.db2.gz NTCJLHQPZOYKCQ-UHFFFAOYSA-N 0 3 229.367 3.652 20 0 BHADHN c1c2ccccc2sc1CN1CC(C2CC2)C1 ZINC000643346022 384424493 /nfs/dbraw/zinc/42/44/93/384424493.db2.gz XJFDMTSDUCGFRN-UHFFFAOYSA-N 0 3 243.375 3.743 20 0 BHADHN C[C@@H](N[C@H](C)C1CCC1)c1ccncc1Cl ZINC000643347243 384758988 /nfs/dbraw/zinc/75/89/88/384758988.db2.gz MUIRLLHVLASFLC-NXEZZACHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@H](C)C1CCC1)c1ccncc1Cl ZINC000643347244 384758352 /nfs/dbraw/zinc/75/83/52/384758352.db2.gz MUIRLLHVLASFLC-UWVGGRQHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@H](C)C1CCC1)c1ccncc1Cl ZINC000643347245 384760172 /nfs/dbraw/zinc/76/01/72/384760172.db2.gz MUIRLLHVLASFLC-VHSXEESVSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccncc1Cl)C1CCC1 ZINC000643347246 384759145 /nfs/dbraw/zinc/75/91/45/384759145.db2.gz MUIRLLHVLASFLC-ZJUUUORDSA-N 0 3 238.762 3.574 20 0 BHADHN CCN(Cc1ccoc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000643368316 385667495 /nfs/dbraw/zinc/66/74/95/385667495.db2.gz VTEYFFRUJQGZPX-HZPDHXFCSA-N 0 3 241.334 3.658 20 0 BHADHN Clc1cscc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000643801117 385110406 /nfs/dbraw/zinc/11/04/06/385110406.db2.gz BEOKWSLSDPBOSG-CMPLNLGQSA-N 0 3 241.787 3.680 20 0 BHADHN c1cc(CN[C@H](C2CCC2)C2CCCCC2)no1 ZINC000643883647 384728013 /nfs/dbraw/zinc/72/80/13/384728013.db2.gz YURGDYPVFDFKAI-HNNXBMFYSA-N 0 3 248.370 3.513 20 0 BHADHN c1cc(CN[C@@H](C2CCC2)C2CCCCC2)no1 ZINC000643883648 384731001 /nfs/dbraw/zinc/73/10/01/384731001.db2.gz YURGDYPVFDFKAI-OAHLLOKOSA-N 0 3 248.370 3.513 20 0 BHADHN c1nc(CN[C@H](C2CCC2)C2CCCCC2)co1 ZINC000643884845 384730710 /nfs/dbraw/zinc/73/07/10/384730710.db2.gz SQYCDLVEUOSQLW-HNNXBMFYSA-N 0 3 248.370 3.513 20 0 BHADHN c1nc(CN[C@@H](C2CCC2)C2CCCCC2)co1 ZINC000643884846 384728325 /nfs/dbraw/zinc/72/83/25/384728325.db2.gz SQYCDLVEUOSQLW-OAHLLOKOSA-N 0 3 248.370 3.513 20 0 BHADHN CC[C@H](Cc1cccs1)NCc1occc1C ZINC000644557014 384956483 /nfs/dbraw/zinc/95/64/83/384956483.db2.gz RKYXFHQRGPTFAE-GFCCVEGCSA-N 0 3 249.379 3.760 20 0 BHADHN CC[C@@H](Cc1cccs1)NCc1occc1C ZINC000644557028 384957112 /nfs/dbraw/zinc/95/71/12/384957112.db2.gz RKYXFHQRGPTFAE-LBPRGKRZSA-N 0 3 249.379 3.760 20 0 BHADHN C(=C\c1ccccc1)\CN1CCC(C2CC2)CC1 ZINC000644718023 385136313 /nfs/dbraw/zinc/13/63/13/385136313.db2.gz AXVPUGMLDHEMIG-DAXSKMNVSA-N 0 3 241.378 3.822 20 0 BHADHN C(=C/c1ccccc1)\CN1CCC(C2CC2)CC1 ZINC000644718024 385136208 /nfs/dbraw/zinc/13/62/08/385136208.db2.gz AXVPUGMLDHEMIG-QPJJXVBHSA-N 0 3 241.378 3.822 20 0 BHADHN CC1(C)CN(CC2CCCC2)[C@H]1c1cccnc1 ZINC000644835506 398084847 /nfs/dbraw/zinc/08/48/47/398084847.db2.gz PHJFGZDTFGTEKU-HNNXBMFYSA-N 0 3 244.382 3.655 20 0 BHADHN CC1(C)CN(CC2CCCC2)[C@@H]1c1cccnc1 ZINC000644835507 398084800 /nfs/dbraw/zinc/08/48/00/398084800.db2.gz PHJFGZDTFGTEKU-OAHLLOKOSA-N 0 3 244.382 3.655 20 0 BHADHN C[C@@H](CF)NCc1cc(-c2ccccc2)cs1 ZINC000644891955 386352454 /nfs/dbraw/zinc/35/24/54/386352454.db2.gz KRNWGPFMWZMHFP-NSHDSACASA-N 0 3 249.354 3.863 20 0 BHADHN CC(C)=CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000645063988 386700811 /nfs/dbraw/zinc/70/08/11/386700811.db2.gz DAOHAYNRDSJCRG-HNNXBMFYSA-N 0 3 233.330 3.929 20 0 BHADHN CC(C)=CCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000645063992 386701024 /nfs/dbraw/zinc/70/10/24/386701024.db2.gz DAOHAYNRDSJCRG-OAHLLOKOSA-N 0 3 233.330 3.929 20 0 BHADHN Cc1nc(C(C)C)ccc1CN(C)CCC(C)C ZINC000645078257 386704027 /nfs/dbraw/zinc/70/40/27/386704027.db2.gz ZMWHSOTYFCDIKP-UHFFFAOYSA-N 0 3 248.414 3.991 20 0 BHADHN CCc1ccc(CN2C3CCCC2CCC3)nc1 ZINC000645089115 386712072 /nfs/dbraw/zinc/71/20/72/386712072.db2.gz NCYXSUIWOJUOLX-UHFFFAOYSA-N 0 3 244.382 3.551 20 0 BHADHN FC(F)(F)[C@@H]1CCN([C@H]2C=CCCCCC2)C1 ZINC000645102222 398177092 /nfs/dbraw/zinc/17/70/92/398177092.db2.gz HLSGQHFIWDBMIU-NEPJUHHUSA-N 0 3 247.304 3.760 20 0 BHADHN FC(F)(F)[C@H]1CCN([C@@H]2C=CCCCCC2)C1 ZINC000645102223 398177138 /nfs/dbraw/zinc/17/71/38/398177138.db2.gz HLSGQHFIWDBMIU-NWDGAFQWSA-N 0 3 247.304 3.760 20 0 BHADHN FC(F)(F)[C@H]1CCN([C@H]2C=CCCCCC2)C1 ZINC000645102225 398177167 /nfs/dbraw/zinc/17/71/67/398177167.db2.gz HLSGQHFIWDBMIU-RYUDHWBXSA-N 0 3 247.304 3.760 20 0 BHADHN FC(F)(F)[C@@H]1CCN([C@@H]2C=CCCCCC2)C1 ZINC000645102226 386721650 /nfs/dbraw/zinc/72/16/50/386721650.db2.gz HLSGQHFIWDBMIU-VXGBXAGGSA-N 0 3 247.304 3.760 20 0 BHADHN C1=C[C@H](N2CCC3(CC3)CC2)CCCCC1 ZINC000645102871 398177079 /nfs/dbraw/zinc/17/70/79/398177079.db2.gz MESWXGAIZQLAIB-AWEZNQCLSA-N 0 3 219.372 3.751 20 0 BHADHN C1=C[C@@H](N2CCC3(CC3)CC2)CCCCC1 ZINC000645102872 398177124 /nfs/dbraw/zinc/17/71/24/398177124.db2.gz MESWXGAIZQLAIB-CQSZACIVSA-N 0 3 219.372 3.751 20 0 BHADHN FC1(F)CC2(CN([C@@H]3C=CCCCCC3)C2)C1 ZINC000645102966 386721561 /nfs/dbraw/zinc/72/15/61/386721561.db2.gz TVMZWXIAOUIKNQ-GFCCVEGCSA-N 0 3 241.325 3.606 20 0 BHADHN FC1(F)CC2(CN([C@H]3C=CCCCCC3)C2)C1 ZINC000645102967 386721241 /nfs/dbraw/zinc/72/12/41/386721241.db2.gz TVMZWXIAOUIKNQ-LBPRGKRZSA-N 0 3 241.325 3.606 20 0 BHADHN C[C@@H]1CCN([C@H]2C=CCCCCC2)C[C@H]1F ZINC000645112345 386730495 /nfs/dbraw/zinc/73/04/95/386730495.db2.gz LMTMIIVAYAXGKA-HZSPNIEDSA-N 0 3 225.351 3.555 20 0 BHADHN C[C@@H]1CCN([C@@H]2C=CCCCCC2)C[C@@H]1F ZINC000645112365 386729160 /nfs/dbraw/zinc/72/91/60/386729160.db2.gz LMTMIIVAYAXGKA-MCIONIFRSA-N 0 3 225.351 3.555 20 0 BHADHN C[C@@H]1CCN([C@@H]2C=CCCCCC2)C[C@H]1F ZINC000645112366 386728868 /nfs/dbraw/zinc/72/88/68/386728868.db2.gz LMTMIIVAYAXGKA-MGPQQGTHSA-N 0 3 225.351 3.555 20 0 BHADHN C[C@@H]1CCN([C@H]2C=CCCCCC2)C[C@@H]1F ZINC000645112368 386730042 /nfs/dbraw/zinc/73/00/42/386730042.db2.gz LMTMIIVAYAXGKA-RDBSUJKOSA-N 0 3 225.351 3.555 20 0 BHADHN Cc1ccncc1[C@@H](C)N[C@H]1C=CCCCCC1 ZINC000645116045 386730459 /nfs/dbraw/zinc/73/04/59/386730459.db2.gz CMHAZPMNMGSTLH-CABCVRRESA-N 0 3 244.382 3.930 20 0 BHADHN Cc1ccncc1[C@H](C)N[C@H]1C=CCCCCC1 ZINC000645116046 386729303 /nfs/dbraw/zinc/72/93/03/386729303.db2.gz CMHAZPMNMGSTLH-GJZGRUSLSA-N 0 3 244.382 3.930 20 0 BHADHN Cc1ccncc1[C@@H](C)N[C@@H]1C=CCCCCC1 ZINC000645116047 386729589 /nfs/dbraw/zinc/72/95/89/386729589.db2.gz CMHAZPMNMGSTLH-HUUCEWRRSA-N 0 3 244.382 3.930 20 0 BHADHN Cc1ccncc1[C@H](C)N[C@@H]1C=CCCCCC1 ZINC000645116048 386730206 /nfs/dbraw/zinc/73/02/06/386730206.db2.gz CMHAZPMNMGSTLH-LSDHHAIUSA-N 0 3 244.382 3.930 20 0 BHADHN CCn1ccc(CN(C)[C@H]2C=CCCCCC2)c1 ZINC000645129590 386736971 /nfs/dbraw/zinc/73/69/71/386736971.db2.gz ZQDZHPAYNFRXKW-INIZCTEOSA-N 0 3 246.398 3.829 20 0 BHADHN CCn1ccc(CN(C)[C@@H]2C=CCCCCC2)c1 ZINC000645129591 386738199 /nfs/dbraw/zinc/73/81/99/386738199.db2.gz ZQDZHPAYNFRXKW-MRXNPFEDSA-N 0 3 246.398 3.829 20 0 BHADHN FC1(F)CCN([C@@H]2C=CCCCCC2)CC1 ZINC000645134866 386741386 /nfs/dbraw/zinc/74/13/86/386741386.db2.gz XSMLHSRYCWNMTK-GFCCVEGCSA-N 0 3 229.314 3.606 20 0 BHADHN FC1(F)CCN([C@H]2C=CCCCCC2)CC1 ZINC000645134867 386741523 /nfs/dbraw/zinc/74/15/23/386741523.db2.gz XSMLHSRYCWNMTK-LBPRGKRZSA-N 0 3 229.314 3.606 20 0 BHADHN Cc1sccc1CN[C@H](C)c1cnccc1C ZINC000645171310 386837716 /nfs/dbraw/zinc/83/77/16/386837716.db2.gz HDWHFYLRJOVCDD-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1sccc1CN[C@@H](C)c1cnccc1C ZINC000645171311 386837805 /nfs/dbraw/zinc/83/78/05/386837805.db2.gz HDWHFYLRJOVCDD-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN CC(C)C1(N[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000645203608 385640318 /nfs/dbraw/zinc/64/03/18/385640318.db2.gz IHXRMKHDYRKNLK-JTQLQIEISA-N 0 3 239.309 3.804 20 0 BHADHN CC(C)C1(N[C@H](C)c2cc(F)ccc2F)CC1 ZINC000645203609 385638649 /nfs/dbraw/zinc/63/86/49/385638649.db2.gz IHXRMKHDYRKNLK-SNVBAGLBSA-N 0 3 239.309 3.804 20 0 BHADHN C[C@@H]1CN([C@H]2CCc3c2cccc3Cl)[C@H]1C ZINC000645217124 398187845 /nfs/dbraw/zinc/18/78/45/398187845.db2.gz VITCEPVUMNUSPB-BFVZDQMLSA-N 0 3 235.758 3.668 20 0 BHADHN C[C@@H]1CN([C@@H]2CCc3c2cccc3Cl)[C@@H]1C ZINC000645217126 385677775 /nfs/dbraw/zinc/67/77/75/385677775.db2.gz VITCEPVUMNUSPB-GPCCPHFNSA-N 0 3 235.758 3.668 20 0 BHADHN C[C@@H]1CN([C@@H]2CCc3c2cccc3Cl)[C@H]1C ZINC000645217127 385677864 /nfs/dbraw/zinc/67/78/64/385677864.db2.gz VITCEPVUMNUSPB-ISTVAULSSA-N 0 3 235.758 3.668 20 0 BHADHN C[C@@H]1CN([C@H]2CCc3c2cccc3Cl)[C@@H]1C ZINC000645217129 385677039 /nfs/dbraw/zinc/67/70/39/385677039.db2.gz VITCEPVUMNUSPB-RULNRJAQSA-N 0 3 235.758 3.668 20 0 BHADHN FC(F)c1ccc(CN[C@H]2CCC[C@H]2F)cc1 ZINC000645219627 385686358 /nfs/dbraw/zinc/68/63/58/385686358.db2.gz FQAQKJCZFKFEIQ-NEPJUHHUSA-N 0 3 243.272 3.604 20 0 BHADHN CCN(Cc1cccs1)CC1=CCCC1 ZINC000645768696 387890973 /nfs/dbraw/zinc/89/09/73/387890973.db2.gz WYLGLEWRFPIIKF-UHFFFAOYSA-N 0 3 221.369 3.680 20 0 BHADHN CN(CC1=CCCC1)Cc1ccc(F)c(F)c1 ZINC000645775769 387898233 /nfs/dbraw/zinc/89/82/33/387898233.db2.gz JVWHXRBTVJQOSA-UHFFFAOYSA-N 0 3 237.293 3.507 20 0 BHADHN C[C@H](c1cccs1)N(C)CC1=CCCC1 ZINC000645777685 387902353 /nfs/dbraw/zinc/90/23/53/387902353.db2.gz HCQSPDNVADOMMB-LLVKDONJSA-N 0 3 221.369 3.851 20 0 BHADHN C[C@@H](c1cccs1)N(C)CC1=CCCC1 ZINC000645777692 387902443 /nfs/dbraw/zinc/90/24/43/387902443.db2.gz HCQSPDNVADOMMB-NSHDSACASA-N 0 3 221.369 3.851 20 0 BHADHN CC(C)N(Cc1ccco1)CC1=CCCC1 ZINC000645782582 387906428 /nfs/dbraw/zinc/90/64/28/387906428.db2.gz ZSWURYKDGKCNLW-UHFFFAOYSA-N 0 3 219.328 3.600 20 0 BHADHN Cc1ccc(CN(C)CC2=CCCC2)s1 ZINC000645791548 387915498 /nfs/dbraw/zinc/91/54/98/387915498.db2.gz NYWNTDCYLNUSDH-UHFFFAOYSA-N 0 3 221.369 3.599 20 0 BHADHN c1cc2c(s1)CCCN(CC1=CCCC1)C2 ZINC000645800803 387939285 /nfs/dbraw/zinc/93/92/85/387939285.db2.gz XOAHVBMXBKBGME-UHFFFAOYSA-N 0 3 233.380 3.607 20 0 BHADHN C1=C(CN2C3CCCC2CCC3)CCC1 ZINC000645808599 387960743 /nfs/dbraw/zinc/96/07/43/387960743.db2.gz ZLQUMZSQVQZZDB-UHFFFAOYSA-N 0 3 205.345 3.504 20 0 BHADHN C[C@@H]1c2ccccc2CN1CC1=CCCC1 ZINC000645811362 387964095 /nfs/dbraw/zinc/96/40/95/387964095.db2.gz OKJNTPUSFMABAX-GFCCVEGCSA-N 0 3 213.324 3.674 20 0 BHADHN C1=C(CN2CC[C@H]2c2ccccc2)CCC1 ZINC000645812175 387973875 /nfs/dbraw/zinc/97/38/75/387973875.db2.gz RDORGJWZOKQSSZ-HNNXBMFYSA-N 0 3 213.324 3.544 20 0 BHADHN C1=C(CN2CC[C@@H]2c2ccccc2)CCC1 ZINC000645812176 387974289 /nfs/dbraw/zinc/97/42/89/387974289.db2.gz RDORGJWZOKQSSZ-OAHLLOKOSA-N 0 3 213.324 3.544 20 0 BHADHN CCN(CC1=CCCC1)[C@H](C)c1cccc(O)c1 ZINC000645812266 387976143 /nfs/dbraw/zinc/97/61/43/387976143.db2.gz WMEVCISKKRDHSO-CYBMUJFWSA-N 0 3 245.366 3.885 20 0 BHADHN CCN(CC1=CCCC1)[C@@H](C)c1cccc(O)c1 ZINC000645812267 387976338 /nfs/dbraw/zinc/97/63/38/387976338.db2.gz WMEVCISKKRDHSO-ZDUSSCGKSA-N 0 3 245.366 3.885 20 0 BHADHN FC(F)(F)CCN(CC1=CCCC1)CC1CC1 ZINC000645813624 397924625 /nfs/dbraw/zinc/92/46/25/397924625.db2.gz JBBMRMQYSQRVIL-UHFFFAOYSA-N 0 3 247.304 3.761 20 0 BHADHN Cc1cccc([C@@H]2CCCN2CC2=CCCC2)n1 ZINC000645815962 387995977 /nfs/dbraw/zinc/99/59/77/387995977.db2.gz FPRHFIHZSBWVEG-INIZCTEOSA-N 0 3 242.366 3.637 20 0 BHADHN Cc1cccc([C@H]2CCCN2CC2=CCCC2)n1 ZINC000645815963 387996107 /nfs/dbraw/zinc/99/61/07/387996107.db2.gz FPRHFIHZSBWVEG-MRXNPFEDSA-N 0 3 242.366 3.637 20 0 BHADHN COc1ccccc1C(C)(C)NCC1=CCCC1 ZINC000645827176 388029898 /nfs/dbraw/zinc/02/98/98/388029898.db2.gz FRVBQVBNZRGGPV-UHFFFAOYSA-N 0 3 245.366 3.630 20 0 BHADHN Fc1ccc(C2(NCC3=CCCC3)CC2)cc1 ZINC000645827360 388033841 /nfs/dbraw/zinc/03/38/41/388033841.db2.gz HOZWWXLLEQHLMO-UHFFFAOYSA-N 0 3 231.314 3.515 20 0 BHADHN Cc1cccnc1[C@@H](NCC1=CCCC1)C(C)C ZINC000645828550 388037191 /nfs/dbraw/zinc/03/71/91/388037191.db2.gz WZSKQQGAPUUFTD-HNNXBMFYSA-N 0 3 244.382 3.787 20 0 BHADHN Cc1cccnc1[C@H](NCC1=CCCC1)C(C)C ZINC000645828551 388036532 /nfs/dbraw/zinc/03/65/32/388036532.db2.gz WZSKQQGAPUUFTD-OAHLLOKOSA-N 0 3 244.382 3.787 20 0 BHADHN C[C@H](c1ccco1)N(CC1=CCCC1)C1CC1 ZINC000645834379 387709682 /nfs/dbraw/zinc/70/96/82/387709682.db2.gz LTNKXWGQSFHIAC-GFCCVEGCSA-N 0 3 231.339 3.915 20 0 BHADHN C[C@@H](c1ccco1)N(CC1=CCCC1)C1CC1 ZINC000645834380 387713358 /nfs/dbraw/zinc/71/33/58/387713358.db2.gz LTNKXWGQSFHIAC-LBPRGKRZSA-N 0 3 231.339 3.915 20 0 BHADHN CC[C@@H](c1ccncc1)N(C)CC1=CCCC1 ZINC000645842357 387797618 /nfs/dbraw/zinc/79/76/18/387797618.db2.gz JTZDZQDDGSDUCC-HNNXBMFYSA-N 0 3 230.355 3.575 20 0 BHADHN CC[C@H](c1ccncc1)N(C)CC1=CCCC1 ZINC000645842358 387797346 /nfs/dbraw/zinc/79/73/46/387797346.db2.gz JTZDZQDDGSDUCC-OAHLLOKOSA-N 0 3 230.355 3.575 20 0 BHADHN COc1ccc([C@@H](C)NCC2=CCCC2)cc1F ZINC000645845904 387846982 /nfs/dbraw/zinc/84/69/82/387846982.db2.gz IRZZSHXHFNIPNR-LLVKDONJSA-N 0 3 249.329 3.595 20 0 BHADHN COc1ccc([C@H](C)NCC2=CCCC2)cc1F ZINC000645845905 387845294 /nfs/dbraw/zinc/84/52/94/387845294.db2.gz IRZZSHXHFNIPNR-NSHDSACASA-N 0 3 249.329 3.595 20 0 BHADHN C[C@H](NCC1=CCCC1)c1ccc(F)c(F)c1 ZINC000645846181 387848825 /nfs/dbraw/zinc/84/88/25/387848825.db2.gz RQJNJGSFEJHXFG-JTQLQIEISA-N 0 3 237.293 3.726 20 0 BHADHN C[C@@H](NCC1=CCCC1)c1ccc(F)c(F)c1 ZINC000645846182 387848805 /nfs/dbraw/zinc/84/88/05/387848805.db2.gz RQJNJGSFEJHXFG-SNVBAGLBSA-N 0 3 237.293 3.726 20 0 BHADHN C[C@H](NCC1=CCCC1)c1ccc(F)cc1F ZINC000645846379 387851484 /nfs/dbraw/zinc/85/14/84/387851484.db2.gz XMVVZRJFMUMBGY-JTQLQIEISA-N 0 3 237.293 3.726 20 0 BHADHN C[C@@H](NCC1=CCCC1)c1ccc(F)cc1F ZINC000645846380 387851699 /nfs/dbraw/zinc/85/16/99/387851699.db2.gz XMVVZRJFMUMBGY-SNVBAGLBSA-N 0 3 237.293 3.726 20 0 BHADHN C[C@H](NCC1=CCCC1)c1cc(F)ccc1F ZINC000645846545 387853594 /nfs/dbraw/zinc/85/35/94/387853594.db2.gz DHMNGJUMEUSNAT-JTQLQIEISA-N 0 3 237.293 3.726 20 0 BHADHN C[C@@H](NCC1=CCCC1)c1cc(F)ccc1F ZINC000645846546 387853342 /nfs/dbraw/zinc/85/33/42/387853342.db2.gz DHMNGJUMEUSNAT-SNVBAGLBSA-N 0 3 237.293 3.726 20 0 BHADHN COc1ccc(F)cc1[C@@H](C)NCC1=CCCC1 ZINC000645846911 387855438 /nfs/dbraw/zinc/85/54/38/387855438.db2.gz LQGTYZDPASZPTI-LLVKDONJSA-N 0 3 249.329 3.595 20 0 BHADHN COc1ccc(F)cc1[C@H](C)NCC1=CCCC1 ZINC000645846912 387854981 /nfs/dbraw/zinc/85/49/81/387854981.db2.gz LQGTYZDPASZPTI-NSHDSACASA-N 0 3 249.329 3.595 20 0 BHADHN COc1cc([C@@H](C)NCC2=CCCC2)ccc1F ZINC000645847120 387855503 /nfs/dbraw/zinc/85/55/03/387855503.db2.gz JXOUXHKXSWLONA-LLVKDONJSA-N 0 3 249.329 3.595 20 0 BHADHN COc1cc([C@H](C)NCC2=CCCC2)ccc1F ZINC000645847121 387855683 /nfs/dbraw/zinc/85/56/83/387855683.db2.gz JXOUXHKXSWLONA-NSHDSACASA-N 0 3 249.329 3.595 20 0 BHADHN Fc1cccc(C2(NCC3=CCCC3)CC2)c1 ZINC000645847261 387854893 /nfs/dbraw/zinc/85/48/93/387854893.db2.gz ZPPOFOUMDNJGIZ-UHFFFAOYSA-N 0 3 231.314 3.515 20 0 BHADHN C[C@H](NCC1=CCCC1)c1cccc(F)c1F ZINC000645847646 387857273 /nfs/dbraw/zinc/85/72/73/387857273.db2.gz NZZDLKZIPHEDBT-JTQLQIEISA-N 0 3 237.293 3.726 20 0 BHADHN C[C@@H](NCC1=CCCC1)c1cccc(F)c1F ZINC000645847647 387857324 /nfs/dbraw/zinc/85/73/24/387857324.db2.gz NZZDLKZIPHEDBT-SNVBAGLBSA-N 0 3 237.293 3.726 20 0 BHADHN Cc1csc([C@H](NCC2=CCCC2)C2CC2)n1 ZINC000645847714 387856808 /nfs/dbraw/zinc/85/68/08/387856808.db2.gz WXMOBYVJMLZMPQ-CYBMUJFWSA-N 0 3 248.395 3.603 20 0 BHADHN Cc1csc([C@@H](NCC2=CCCC2)C2CC2)n1 ZINC000645847715 387856704 /nfs/dbraw/zinc/85/67/04/387856704.db2.gz WXMOBYVJMLZMPQ-ZDUSSCGKSA-N 0 3 248.395 3.603 20 0 BHADHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CC1=CCCC1 ZINC000645849289 387860368 /nfs/dbraw/zinc/86/03/68/387860368.db2.gz DJHPHRNUVPLLLL-CMPLNLGQSA-N 0 3 247.304 3.760 20 0 BHADHN C[C@H]1CC[C@H](C(F)(F)F)CN1CC1=CCCC1 ZINC000645849290 387861452 /nfs/dbraw/zinc/86/14/52/387861452.db2.gz DJHPHRNUVPLLLL-JQWIXIFHSA-N 0 3 247.304 3.760 20 0 BHADHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CC1=CCCC1 ZINC000645849291 387861410 /nfs/dbraw/zinc/86/14/10/387861410.db2.gz DJHPHRNUVPLLLL-PWSUYJOCSA-N 0 3 247.304 3.760 20 0 BHADHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CC1=CCCC1 ZINC000645849292 387860868 /nfs/dbraw/zinc/86/08/68/387860868.db2.gz DJHPHRNUVPLLLL-ZYHUDNBSSA-N 0 3 247.304 3.760 20 0 BHADHN CC(C)C[C@H](NCC1=CCCC1)c1ccccn1 ZINC000645853016 387870260 /nfs/dbraw/zinc/87/02/60/387870260.db2.gz LHLOKQPTKJCXJI-INIZCTEOSA-N 0 3 244.382 3.869 20 0 BHADHN CC(C)C[C@@H](NCC1=CCCC1)c1ccccn1 ZINC000645853017 387870734 /nfs/dbraw/zinc/87/07/34/387870734.db2.gz LHLOKQPTKJCXJI-MRXNPFEDSA-N 0 3 244.382 3.869 20 0 BHADHN FC(F)(F)CC1CCN(CC2=CCCC2)CC1 ZINC000645899127 388078175 /nfs/dbraw/zinc/07/81/75/388078175.db2.gz BOGRLHQWGWKYKI-UHFFFAOYSA-N 0 3 247.304 3.761 20 0 BHADHN CCN(CC1=CCCC1)Cc1occc1C ZINC000645928425 388166207 /nfs/dbraw/zinc/16/62/07/388166207.db2.gz CFXJQCVDORSKBS-UHFFFAOYSA-N 0 3 219.328 3.520 20 0 BHADHN FC(F)(F)C[C@H]1CCCN(CC2=CCCC2)C1 ZINC000645928738 388167515 /nfs/dbraw/zinc/16/75/15/388167515.db2.gz FZNMWGHEHFXMFQ-GFCCVEGCSA-N 0 3 247.304 3.761 20 0 BHADHN FC(F)(F)C[C@@H]1CCCN(CC2=CCCC2)C1 ZINC000645928739 388167330 /nfs/dbraw/zinc/16/73/30/388167330.db2.gz FZNMWGHEHFXMFQ-LBPRGKRZSA-N 0 3 247.304 3.761 20 0 BHADHN FCCCCNC1(c2ccccc2Cl)CC1 ZINC000645978316 388114228 /nfs/dbraw/zinc/11/42/28/388114228.db2.gz CZMCVBGVHQNGOR-UHFFFAOYSA-N 0 3 241.737 3.668 20 0 BHADHN Cc1ccccc1C1(NCc2ccccc2)CC1 ZINC000645978392 388114435 /nfs/dbraw/zinc/11/44/35/388114435.db2.gz KGDZTSSKAZYQKM-UHFFFAOYSA-N 0 3 237.346 3.774 20 0 BHADHN Cc1ccccc1C1(NCCC(F)(F)F)CC1 ZINC000645979839 388114403 /nfs/dbraw/zinc/11/44/03/388114403.db2.gz KARPEZQWRURVME-UHFFFAOYSA-N 0 3 243.272 3.526 20 0 BHADHN Cc1ccccc1C1(NCc2cccs2)CC1 ZINC000645980515 388114738 /nfs/dbraw/zinc/11/47/38/388114738.db2.gz OATLGPHGMKSVAV-UHFFFAOYSA-N 0 3 243.375 3.835 20 0 BHADHN CC/C=C\CCNC1(c2ccccc2OC)CC1 ZINC000646001124 487880391 /nfs/dbraw/zinc/88/03/91/487880391.db2.gz BHDWJJXFYFTBMI-PLNGDYQASA-N 0 3 245.366 3.630 20 0 BHADHN CC/C=C/CCNC1(c2ccccc2OC)CC1 ZINC000646001125 487880664 /nfs/dbraw/zinc/88/06/64/487880664.db2.gz BHDWJJXFYFTBMI-SNAWJCMRSA-N 0 3 245.366 3.630 20 0 BHADHN CC(C)=CCN(Cc1ccc(C)nc1)CC1CC1 ZINC000646019218 388125156 /nfs/dbraw/zinc/12/51/56/388125156.db2.gz VZVYOTWOXJYYHA-UHFFFAOYSA-N 0 3 244.382 3.568 20 0 BHADHN FCCCCNC1(c2ccccc2F)CCC1 ZINC000646023799 388126106 /nfs/dbraw/zinc/12/61/06/388126106.db2.gz AXJAICWOPXKQRT-UHFFFAOYSA-N 0 3 239.309 3.544 20 0 BHADHN Cc1nc(C)c(CN(C)CCC(C)(C)C)s1 ZINC000646027895 388126952 /nfs/dbraw/zinc/12/69/52/388126952.db2.gz MYQASZYLHXQCFP-UHFFFAOYSA-N 0 3 240.416 3.628 20 0 BHADHN CN(CCC(C)(C)C)Cc1ccc(Cl)cn1 ZINC000646028558 388128244 /nfs/dbraw/zinc/12/82/44/388128244.db2.gz DESBLOSBJVJVDT-UHFFFAOYSA-N 0 3 240.778 3.603 20 0 BHADHN Cc1ccc(CN(C)CCC(C)(C)C)c(C)n1 ZINC000646028756 388127823 /nfs/dbraw/zinc/12/78/23/388127823.db2.gz ZYXTXUIQCGKLGT-UHFFFAOYSA-N 0 3 234.387 3.566 20 0 BHADHN CC(=O)c1cccc(CN(C)CCC(C)(C)C)c1 ZINC000646028957 388127830 /nfs/dbraw/zinc/12/78/30/388127830.db2.gz QEKMDZSDCXHZDH-UHFFFAOYSA-N 0 3 247.382 3.757 20 0 BHADHN CCc1ccc(CN(C)CCC(C)(C)C)nc1 ZINC000646028964 388127898 /nfs/dbraw/zinc/12/78/98/388127898.db2.gz RCEPJALUHNRXOD-UHFFFAOYSA-N 0 3 234.387 3.512 20 0 BHADHN CN(Cc1cc(-c2ccccc2)no1)C(C)(C)C ZINC000646087257 388139955 /nfs/dbraw/zinc/13/99/55/388139955.db2.gz AEYMDOREGGLMIQ-UHFFFAOYSA-N 0 3 244.338 3.572 20 0 BHADHN CN(Cc1nc2ccccc2s1)C(C)(C)C ZINC000646087786 388139974 /nfs/dbraw/zinc/13/99/74/388139974.db2.gz VVWRXKWXCHGCDB-UHFFFAOYSA-N 0 3 234.368 3.527 20 0 BHADHN COc1ccc(CN(C)C(C)(C)C)c(Cl)c1 ZINC000646088457 388140016 /nfs/dbraw/zinc/14/00/16/388140016.db2.gz MCQDJELFMDUCQI-UHFFFAOYSA-N 0 3 241.762 3.579 20 0 BHADHN CC1=CC[C@H](NCc2ccc(Cl)o2)CC1 ZINC000646116490 388145837 /nfs/dbraw/zinc/14/58/37/388145837.db2.gz WZRHRBRAOWUFJV-JTQLQIEISA-N 0 3 225.719 3.521 20 0 BHADHN CC1=CC[C@@H](NCc2ccc(Cl)o2)CC1 ZINC000646116491 388145650 /nfs/dbraw/zinc/14/56/50/388145650.db2.gz WZRHRBRAOWUFJV-SNVBAGLBSA-N 0 3 225.719 3.521 20 0 BHADHN FCCCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117617 388145770 /nfs/dbraw/zinc/14/57/70/388145770.db2.gz JIOPFVYRZCDFQG-HNNXBMFYSA-N 0 3 245.341 3.739 20 0 BHADHN FCCCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117618 388145884 /nfs/dbraw/zinc/14/58/84/388145884.db2.gz JIOPFVYRZCDFQG-OAHLLOKOSA-N 0 3 245.341 3.739 20 0 BHADHN CC[C@@H](NCCOC(C)C)c1csc(C)c1 ZINC000646127743 388149252 /nfs/dbraw/zinc/14/92/52/388149252.db2.gz SQMKIJBIYFQFNE-CYBMUJFWSA-N 0 3 241.400 3.522 20 0 BHADHN CC[C@H](NCCOC(C)C)c1csc(C)c1 ZINC000646127744 388149532 /nfs/dbraw/zinc/14/95/32/388149532.db2.gz SQMKIJBIYFQFNE-ZDUSSCGKSA-N 0 3 241.400 3.522 20 0 BHADHN c1cc(C2CCC2)ccc1CN1CC(C2CC2)C1 ZINC000646205859 388164031 /nfs/dbraw/zinc/16/40/31/388164031.db2.gz ADJFDZYPQFRIRX-UHFFFAOYSA-N 0 3 241.378 3.796 20 0 BHADHN C[C@H](CC(C)(C)c1ccccc1)N[C@@H](C)CF ZINC000646215034 388166851 /nfs/dbraw/zinc/16/68/51/388166851.db2.gz LQMOTSJSARSSII-OLZOCXBDSA-N 0 3 237.362 3.690 20 0 BHADHN C[C@@H](CF)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000646215035 388166737 /nfs/dbraw/zinc/16/67/37/388166737.db2.gz LQMOTSJSARSSII-STQMWFEESA-N 0 3 237.362 3.690 20 0 BHADHN CC(C)C[C@H](CN[C@@H](C)CF)c1ccccc1 ZINC000646215242 388166295 /nfs/dbraw/zinc/16/62/95/388166295.db2.gz QRTYOVIOLAEHPM-DZGCQCFKSA-N 0 3 237.362 3.764 20 0 BHADHN CC(C)C[C@@H](CN[C@@H](C)CF)c1ccccc1 ZINC000646215243 388165907 /nfs/dbraw/zinc/16/59/07/388165907.db2.gz QRTYOVIOLAEHPM-ZFWWWQNUSA-N 0 3 237.362 3.764 20 0 BHADHN C[C@@H](CF)N[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000646215310 388166102 /nfs/dbraw/zinc/16/61/02/388166102.db2.gz UAYODMNREBTYLC-AXFHLTTASA-N 0 3 243.753 3.780 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@@H](C)CF ZINC000646215312 388165895 /nfs/dbraw/zinc/16/58/95/388165895.db2.gz UAYODMNREBTYLC-DCAQKATOSA-N 0 3 243.753 3.780 20 0 BHADHN C[C@@H](N[C@@H](C)CF)[C@H](C)c1ccc(Cl)cc1 ZINC000646215314 388166161 /nfs/dbraw/zinc/16/61/61/388166161.db2.gz UAYODMNREBTYLC-GARJFASQSA-N 0 3 243.753 3.780 20 0 BHADHN C[C@@H](N[C@@H](C)CF)[C@@H](C)c1ccc(Cl)cc1 ZINC000646215316 388166172 /nfs/dbraw/zinc/16/61/72/388166172.db2.gz UAYODMNREBTYLC-HBNTYKKESA-N 0 3 243.753 3.780 20 0 BHADHN CC1(C)CN(CC2CCCC2)[C@H]1c1ccncc1 ZINC000646216479 388166733 /nfs/dbraw/zinc/16/67/33/388166733.db2.gz VKRCKWIHQKUVMX-HNNXBMFYSA-N 0 3 244.382 3.655 20 0 BHADHN CC1(C)CN(CC2CCCC2)[C@@H]1c1ccncc1 ZINC000646216480 388166821 /nfs/dbraw/zinc/16/68/21/388166821.db2.gz VKRCKWIHQKUVMX-OAHLLOKOSA-N 0 3 244.382 3.655 20 0 BHADHN CC(C)COc1cccc(CN2C[C@H](C)[C@@H]2C)c1 ZINC000646252631 388170930 /nfs/dbraw/zinc/17/09/30/388170930.db2.gz MAGLBXBMDGGBLC-KBPBESRZSA-N 0 3 247.382 3.562 20 0 BHADHN CC(C)COc1cccc(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000646252632 388170730 /nfs/dbraw/zinc/17/07/30/388170730.db2.gz MAGLBXBMDGGBLC-KGLIPLIRSA-N 0 3 247.382 3.562 20 0 BHADHN CC(C)COc1cccc(CN2C[C@H](C)[C@H]2C)c1 ZINC000646252633 388171062 /nfs/dbraw/zinc/17/10/62/388171062.db2.gz MAGLBXBMDGGBLC-UONOGXRCSA-N 0 3 247.382 3.562 20 0 BHADHN CC(C)COc1cccc(CN2C[C@@H](C)[C@H]2C)c1 ZINC000646252634 388170919 /nfs/dbraw/zinc/17/09/19/388170919.db2.gz MAGLBXBMDGGBLC-ZIAGYGMSSA-N 0 3 247.382 3.562 20 0 BHADHN Cc1cc(C)c(CN2CCC[C@H]2CF)cc1C ZINC000646277105 388175296 /nfs/dbraw/zinc/17/52/96/388175296.db2.gz VSZDFRJJXMVPIQ-HNNXBMFYSA-N 0 3 235.346 3.546 20 0 BHADHN Cc1cc(C)c(CN2CCC[C@@H]2CF)cc1C ZINC000646277106 388175338 /nfs/dbraw/zinc/17/53/38/388175338.db2.gz VSZDFRJJXMVPIQ-OAHLLOKOSA-N 0 3 235.346 3.546 20 0 BHADHN CC(C)c1ccc(CCN[C@@H]2CCC[C@@H]2F)cc1 ZINC000646293683 388177355 /nfs/dbraw/zinc/17/73/55/388177355.db2.gz OXMGIVVJPFQROX-JKSUJKDBSA-N 0 3 249.373 3.833 20 0 BHADHN C[C@H](NC1(c2ccccc2Cl)CC1)C1CC1 ZINC000647224185 384251881 /nfs/dbraw/zinc/25/18/81/384251881.db2.gz XERYZELGJFRWQE-JTQLQIEISA-N 0 3 235.758 3.717 20 0 BHADHN C[C@@H](NC1(c2ccccc2Cl)CC1)C1CC1 ZINC000647224186 384252022 /nfs/dbraw/zinc/25/20/22/384252022.db2.gz XERYZELGJFRWQE-SNVBAGLBSA-N 0 3 235.758 3.717 20 0 BHADHN Cc1ccccc1C1(NCc2ccsc2)CC1 ZINC000647224733 384276267 /nfs/dbraw/zinc/27/62/67/384276267.db2.gz WQTKCKOAIXQESM-UHFFFAOYSA-N 0 3 243.375 3.835 20 0 BHADHN Clc1cscc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000647251722 383891587 /nfs/dbraw/zinc/89/15/87/383891587.db2.gz INJLBFOSIIKVCB-UBHAPETDSA-N 0 3 241.787 3.680 20 0 BHADHN FC1CCC(CNCc2ccc(Cl)o2)CC1 ZINC000647253164 383949872 /nfs/dbraw/zinc/94/98/72/383949872.db2.gz VLPZGZBSSOPJEB-UHFFFAOYSA-N 0 3 245.725 3.551 20 0 BHADHN FCC1(NCc2ccc(C3CC3)cc2)CCC1 ZINC000647254860 384007599 /nfs/dbraw/zinc/00/75/99/384007599.db2.gz FFOSLYKXXUZVAM-UHFFFAOYSA-N 0 3 233.330 3.546 20 0 BHADHN Clc1cscc1CN[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647256405 384044764 /nfs/dbraw/zinc/04/47/64/384044764.db2.gz QRJRLUHCOPMIDQ-ATZCPNFKSA-N 0 3 241.787 3.680 20 0 BHADHN Clc1cscc1CN[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647256406 384044906 /nfs/dbraw/zinc/04/49/06/384044906.db2.gz QRJRLUHCOPMIDQ-FXPVBKGRSA-N 0 3 241.787 3.680 20 0 BHADHN Cc1cc(C)nc(NC2CCC(F)(F)CC2)c1 ZINC000647297555 384955836 /nfs/dbraw/zinc/95/58/36/384955836.db2.gz KPUGPQHSKOZKAM-UHFFFAOYSA-N 0 3 240.297 3.688 20 0 BHADHN CC(C)=CCN[C@@H](CC(C)C)c1ccncc1 ZINC000647301051 385069428 /nfs/dbraw/zinc/06/94/28/385069428.db2.gz PJLFFIALAWLEAW-HNNXBMFYSA-N 0 3 232.371 3.725 20 0 BHADHN CC(C)=CCN[C@H](CC(C)C)c1ccncc1 ZINC000647301052 385069086 /nfs/dbraw/zinc/06/90/86/385069086.db2.gz PJLFFIALAWLEAW-OAHLLOKOSA-N 0 3 232.371 3.725 20 0 BHADHN CC/C=C\CN[C@H](CC(C)C)c1ccncc1 ZINC000647305788 385188453 /nfs/dbraw/zinc/18/84/53/385188453.db2.gz WRYCEBHARBNUHW-IYKSTZQJSA-N 0 3 232.371 3.725 20 0 BHADHN CC/C=C/CN[C@H](CC(C)C)c1ccncc1 ZINC000647305789 385188294 /nfs/dbraw/zinc/18/82/94/385188294.db2.gz WRYCEBHARBNUHW-LLYBFZRZSA-N 0 3 232.371 3.725 20 0 BHADHN CC/C=C/CN[C@@H](CC(C)C)c1ccncc1 ZINC000647305790 385186483 /nfs/dbraw/zinc/18/64/83/385186483.db2.gz WRYCEBHARBNUHW-NFAHFFEMSA-N 0 3 232.371 3.725 20 0 BHADHN CC/C=C\CN[C@@H](CC(C)C)c1ccncc1 ZINC000647305791 385188364 /nfs/dbraw/zinc/18/83/64/385188364.db2.gz WRYCEBHARBNUHW-YVACAVLKSA-N 0 3 232.371 3.725 20 0 BHADHN CC1CC(NC2(c3ccccc3Cl)CC2)C1 ZINC000647315522 384209401 /nfs/dbraw/zinc/20/94/01/384209401.db2.gz LGLDWDKBYCDFAE-UHFFFAOYSA-N 0 3 235.758 3.717 20 0 BHADHN CC[C@H](C)NC1(c2ccccc2Cl)CC1 ZINC000647316050 384211596 /nfs/dbraw/zinc/21/15/96/384211596.db2.gz MTWSAHVJJLIWBP-JTQLQIEISA-N 0 3 223.747 3.717 20 0 BHADHN CC[C@@H](C)NC1(c2ccccc2Cl)CC1 ZINC000647316051 384210530 /nfs/dbraw/zinc/21/05/30/384210530.db2.gz MTWSAHVJJLIWBP-SNVBAGLBSA-N 0 3 223.747 3.717 20 0 BHADHN COc1ccccc1C1(NC2CCCCC2)CC1 ZINC000647329219 384444452 /nfs/dbraw/zinc/44/44/52/384444452.db2.gz JFMDTSYLXJUEBT-UHFFFAOYSA-N 0 3 245.366 3.607 20 0 BHADHN CC[C@@H](C)NC1(c2ccccc2F)CCC1 ZINC000647333021 398342298 /nfs/dbraw/zinc/34/22/98/398342298.db2.gz JQCBPDBJZLOILM-LLVKDONJSA-N 0 3 221.319 3.593 20 0 BHADHN CC[C@H](C)NC1(c2ccccc2F)CCC1 ZINC000647333022 398342315 /nfs/dbraw/zinc/34/23/15/398342315.db2.gz JQCBPDBJZLOILM-NSHDSACASA-N 0 3 221.319 3.593 20 0 BHADHN CC1CC(NC2(c3ccccc3F)CCC2)C1 ZINC000647333110 398342349 /nfs/dbraw/zinc/34/23/49/398342349.db2.gz MINBQUKWXJMNNA-UHFFFAOYSA-N 0 3 233.330 3.593 20 0 BHADHN Cc1cc(OCc2ccc(F)cc2)c(C)c(C)n1 ZINC000647881472 397917088 /nfs/dbraw/zinc/91/70/88/397917088.db2.gz WSJJSBDLVFBBLU-UHFFFAOYSA-N 0 3 245.297 3.725 20 0 BHADHN Cc1cc(OCc2cccc(F)c2)c(C)c(C)n1 ZINC000647881819 386215726 /nfs/dbraw/zinc/21/57/26/386215726.db2.gz MTQCFRBOZXWBIO-UHFFFAOYSA-N 0 3 245.297 3.725 20 0 BHADHN Cc1cc(C)c(CN2CC3(CC(F)C3)C2)c(C)c1 ZINC000647929696 386110598 /nfs/dbraw/zinc/11/05/98/386110598.db2.gz CZDIOTHQPWGZCF-UHFFFAOYSA-N 0 3 247.357 3.546 20 0 BHADHN CC[C@@H]1CCCCN1Cc1c(C)nsc1C ZINC000647956875 386698052 /nfs/dbraw/zinc/69/80/52/386698052.db2.gz NBTZXALSDRYHHJ-GFCCVEGCSA-N 0 3 238.400 3.524 20 0 BHADHN CC[C@H]1CCCCN1Cc1c(C)nsc1C ZINC000647956876 386697614 /nfs/dbraw/zinc/69/76/14/386697614.db2.gz NBTZXALSDRYHHJ-LBPRGKRZSA-N 0 3 238.400 3.524 20 0 BHADHN Cc1nc(CN2CCC[C@H]2C2CCCCC2)co1 ZINC000647959717 386720461 /nfs/dbraw/zinc/72/04/61/386720461.db2.gz HTOLFAFYGAZCHT-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1nc(CN2CCC[C@@H]2C2CCCCC2)co1 ZINC000647959718 386720491 /nfs/dbraw/zinc/72/04/91/386720491.db2.gz HTOLFAFYGAZCHT-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1nc(CN(CC2CC2)C2CCCCC2)co1 ZINC000647962045 386733965 /nfs/dbraw/zinc/73/39/65/386733965.db2.gz KJOVCVUWECRDCW-UHFFFAOYSA-N 0 3 248.370 3.528 20 0 BHADHN CC1(CC(F)F)CN(CCC2CCCCC2)C1 ZINC000648058971 386674339 /nfs/dbraw/zinc/67/43/39/386674339.db2.gz NGHXJKGHSXMFMW-UHFFFAOYSA-N 0 3 245.357 3.934 20 0 BHADHN CC(C)C[C@@H](C)CN1CC(C)(CC(F)F)C1 ZINC000648059005 386676327 /nfs/dbraw/zinc/67/63/27/386676327.db2.gz QGOFNGFMTIAYDE-LLVKDONJSA-N 0 3 233.346 3.646 20 0 BHADHN CC(C)C[C@H](C)CN1CC(C)(CC(F)F)C1 ZINC000648059006 386674109 /nfs/dbraw/zinc/67/41/09/386674109.db2.gz QGOFNGFMTIAYDE-NSHDSACASA-N 0 3 233.346 3.646 20 0 BHADHN C[C@H](CCc1ccsc1)NC1(CF)CCC1 ZINC000648076697 387500918 /nfs/dbraw/zinc/50/09/18/387500918.db2.gz FGQOREMPFDTURN-LLVKDONJSA-N 0 3 241.375 3.551 20 0 BHADHN C[C@@H](CCc1ccsc1)NC1(CF)CCC1 ZINC000648076698 387501040 /nfs/dbraw/zinc/50/10/40/387501040.db2.gz FGQOREMPFDTURN-NSHDSACASA-N 0 3 241.375 3.551 20 0 BHADHN Cc1ccc(C2CC(NC3(CF)CCC3)C2)cc1 ZINC000648077005 387503014 /nfs/dbraw/zinc/50/30/14/387503014.db2.gz VJOJGVYJMALJCF-UHFFFAOYSA-N 0 3 247.357 3.723 20 0 BHADHN [O-]c1ccc(C[N@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000648077738 387506599 /nfs/dbraw/zinc/50/65/99/387506599.db2.gz FUHSOMUMAUIPNF-INIZCTEOSA-N 0 3 245.366 3.547 20 0 BHADHN [O-]c1ccc(C[N@@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000648077738 387506597 /nfs/dbraw/zinc/50/65/97/387506597.db2.gz FUHSOMUMAUIPNF-INIZCTEOSA-N 0 3 245.366 3.547 20 0 BHADHN [O-]c1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000648077739 387506373 /nfs/dbraw/zinc/50/63/73/387506373.db2.gz FUHSOMUMAUIPNF-MRXNPFEDSA-N 0 3 245.366 3.547 20 0 BHADHN [O-]c1ccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000648077739 387506372 /nfs/dbraw/zinc/50/63/72/387506372.db2.gz FUHSOMUMAUIPNF-MRXNPFEDSA-N 0 3 245.366 3.547 20 0 BHADHN [O-]c1cccc(C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000648077993 387504742 /nfs/dbraw/zinc/50/47/42/387504742.db2.gz VFLHHNVUDHOIIU-INIZCTEOSA-N 0 3 245.366 3.547 20 0 BHADHN [O-]c1cccc(C[N@@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000648077993 387504738 /nfs/dbraw/zinc/50/47/38/387504738.db2.gz VFLHHNVUDHOIIU-INIZCTEOSA-N 0 3 245.366 3.547 20 0 BHADHN [O-]c1cccc(C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000648077994 387508352 /nfs/dbraw/zinc/50/83/52/387508352.db2.gz VFLHHNVUDHOIIU-MRXNPFEDSA-N 0 3 245.366 3.547 20 0 BHADHN [O-]c1cccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000648077994 387508348 /nfs/dbraw/zinc/50/83/48/387508348.db2.gz VFLHHNVUDHOIIU-MRXNPFEDSA-N 0 3 245.366 3.547 20 0 BHADHN Fc1cnccc1CN(C1CC1)C1CCCCC1 ZINC000648358513 385324729 /nfs/dbraw/zinc/32/47/29/385324729.db2.gz PZKILGILUVKPNO-UHFFFAOYSA-N 0 3 248.345 3.518 20 0 BHADHN Clc1ccc(CN[C@@H]2CCCC23CCC3)o1 ZINC000648401249 385686807 /nfs/dbraw/zinc/68/68/07/385686807.db2.gz OKYJSZARJYWPDI-LLVKDONJSA-N 0 3 239.746 3.745 20 0 BHADHN Clc1ccc(CN[C@H]2CCCC23CCC3)o1 ZINC000648401250 385685620 /nfs/dbraw/zinc/68/56/20/385685620.db2.gz OKYJSZARJYWPDI-NSHDSACASA-N 0 3 239.746 3.745 20 0 BHADHN CC(C)c1cc(CN[C@H]2CCCC23CCC3)on1 ZINC000648452124 387045968 /nfs/dbraw/zinc/04/59/68/387045968.db2.gz HIYGBGPZXUZYLT-AWEZNQCLSA-N 0 3 248.370 3.610 20 0 BHADHN CC(C)c1cc(CN[C@@H]2CCCC23CCC3)on1 ZINC000648452125 387045557 /nfs/dbraw/zinc/04/55/57/387045557.db2.gz HIYGBGPZXUZYLT-CQSZACIVSA-N 0 3 248.370 3.610 20 0 BHADHN Cc1cc(CN[C@H](C)c2cnccc2C)cs1 ZINC000648494080 387426521 /nfs/dbraw/zinc/42/65/21/387426521.db2.gz RHBSJYKCTQNYRI-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cc(CN[C@@H](C)c2cnccc2C)cs1 ZINC000648494081 387425929 /nfs/dbraw/zinc/42/59/29/387425929.db2.gz RHBSJYKCTQNYRI-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC(C)CC[C@@H]1CC[C@H](NCc2ccccn2)C1 ZINC000648495126 387437735 /nfs/dbraw/zinc/43/77/35/387437735.db2.gz AVBSAWMXZZVFFX-CABCVRRESA-N 0 3 246.398 3.776 20 0 BHADHN CC(C)CC[C@H]1CC[C@H](NCc2ccccn2)C1 ZINC000648495127 387438615 /nfs/dbraw/zinc/43/86/15/387438615.db2.gz AVBSAWMXZZVFFX-GJZGRUSLSA-N 0 3 246.398 3.776 20 0 BHADHN CC(C)CC[C@@H]1CC[C@@H](NCc2ccccn2)C1 ZINC000648495128 387437414 /nfs/dbraw/zinc/43/74/14/387437414.db2.gz AVBSAWMXZZVFFX-HUUCEWRRSA-N 0 3 246.398 3.776 20 0 BHADHN CC(C)CC[C@H]1CC[C@@H](NCc2ccccn2)C1 ZINC000648495129 387438358 /nfs/dbraw/zinc/43/83/58/387438358.db2.gz AVBSAWMXZZVFFX-LSDHHAIUSA-N 0 3 246.398 3.776 20 0 BHADHN C[C@@H](Cc1ccsc1)N1CCC[C@](C)(F)C1 ZINC000648606329 387381409 /nfs/dbraw/zinc/38/14/09/387381409.db2.gz YPDARTFKKDCRPX-AAEUAGOBSA-N 0 3 241.375 3.503 20 0 BHADHN C[C@H](Cc1ccsc1)N1CCC[C@@](C)(F)C1 ZINC000648606330 387380958 /nfs/dbraw/zinc/38/09/58/387380958.db2.gz YPDARTFKKDCRPX-DGCLKSJQSA-N 0 3 241.375 3.503 20 0 BHADHN C[C@@H](Cc1ccsc1)N1CCC[C@@](C)(F)C1 ZINC000648606331 387380405 /nfs/dbraw/zinc/38/04/05/387380405.db2.gz YPDARTFKKDCRPX-WCQYABFASA-N 0 3 241.375 3.503 20 0 BHADHN C[C@H](Cc1ccsc1)N1CCC[C@](C)(F)C1 ZINC000648606332 387381234 /nfs/dbraw/zinc/38/12/34/387381234.db2.gz YPDARTFKKDCRPX-YPMHNXCESA-N 0 3 241.375 3.503 20 0 BHADHN CCCc1ccc(CNCCC(C)(F)F)cc1 ZINC000648608929 387386252 /nfs/dbraw/zinc/38/62/52/387386252.db2.gz IPJSUYRUYQRHFP-UHFFFAOYSA-N 0 3 241.325 3.774 20 0 BHADHN CC(F)(F)CCNCc1cscc1Cl ZINC000648608951 387385360 /nfs/dbraw/zinc/38/53/60/387385360.db2.gz UWABIWCEEYPRIY-UHFFFAOYSA-N 0 3 239.718 3.536 20 0 BHADHN c1c2ccccc2[nH]c1CNCC1=CCCCC1 ZINC000648633339 387204100 /nfs/dbraw/zinc/20/41/00/387204100.db2.gz KCYKQDRVQHECQM-UHFFFAOYSA-N 0 3 240.350 3.758 20 0 BHADHN FC(F)c1ccc(CN2CC[C@@H]2C2CC2)cc1 ZINC000648699749 388062224 /nfs/dbraw/zinc/06/22/24/388062224.db2.gz LRTIAVAEPJPGBM-CYBMUJFWSA-N 0 3 237.293 3.609 20 0 BHADHN FC(F)c1ccc(CN2CC[C@H]2C2CC2)cc1 ZINC000648699750 388062144 /nfs/dbraw/zinc/06/21/44/388062144.db2.gz LRTIAVAEPJPGBM-ZDUSSCGKSA-N 0 3 237.293 3.609 20 0 BHADHN CC[C@@H]1C[C@H]1CNCc1cscc1Cl ZINC000648732019 388753428 /nfs/dbraw/zinc/75/34/28/388753428.db2.gz XUUVXUAOWUBVKP-BDAKNGLRSA-N 0 3 229.776 3.537 20 0 BHADHN CC1(C2(NCc3cscc3Cl)CC2)CC1 ZINC000648809800 397938844 /nfs/dbraw/zinc/93/88/44/397938844.db2.gz FOHKQRSTPXRXDU-UHFFFAOYSA-N 0 3 241.787 3.824 20 0 BHADHN FC1(F)CC[C@H](CN2C3CCCC2CCC3)C1 ZINC000649323790 398145424 /nfs/dbraw/zinc/14/54/24/398145424.db2.gz BGKXRZHZFDUGBO-HIFPTAJRSA-N 0 3 243.341 3.829 20 0 BHADHN FC1(F)CC[C@@H](CN2C3CCCC2CCC3)C1 ZINC000649323791 398145389 /nfs/dbraw/zinc/14/53/89/398145389.db2.gz BGKXRZHZFDUGBO-PNESKVBLSA-N 0 3 243.341 3.829 20 0 BHADHN FC1(F)CC2(CN(CCC3=CCCCC3)C2)C1 ZINC000649401570 398203765 /nfs/dbraw/zinc/20/37/65/398203765.db2.gz FFBDLEVDEDNXDW-UHFFFAOYSA-N 0 3 241.325 3.608 20 0 BHADHN Cc1noc(C)c1[C@H](C)NCC12CCC(CC1)C2 ZINC000649410885 398209516 /nfs/dbraw/zinc/20/95/16/398209516.db2.gz APEHMEFADCCQJK-KKJMOOEGSA-N 0 3 248.370 3.522 20 0 BHADHN Cc1noc(C)c1[C@@H](C)NCC12CCC(CC1)C2 ZINC000649410886 398209447 /nfs/dbraw/zinc/20/94/47/398209447.db2.gz APEHMEFADCCQJK-ZZJLNTIPSA-N 0 3 248.370 3.522 20 0 BHADHN Fc1ccc(CN2CCCC2)cc1-c1ccoc1 ZINC000649433162 398235020 /nfs/dbraw/zinc/23/50/20/398235020.db2.gz FPMBUDUFPWRZFR-UHFFFAOYSA-N 0 3 245.297 3.682 20 0 BHADHN Cc1ccsc1-c1cccc(CN(C)C)c1 ZINC000649436735 398238434 /nfs/dbraw/zinc/23/84/34/398238434.db2.gz QRGCVFGREKQNJE-UHFFFAOYSA-N 0 3 231.364 3.785 20 0 BHADHN FC1(F)CCN(CCC2=CCCCC2)CC1 ZINC000649527068 397917876 /nfs/dbraw/zinc/91/78/76/397917876.db2.gz TZPHCDXELMOFND-UHFFFAOYSA-N 0 3 229.314 3.608 20 0 BHADHN CC(C)NC1(c2ccccc2Cl)CCC1 ZINC000649642852 398019304 /nfs/dbraw/zinc/01/93/04/398019304.db2.gz PRQKLKYWFXDFPN-UHFFFAOYSA-N 0 3 223.747 3.717 20 0 BHADHN FCCCNC1(c2ccccc2Cl)CCC1 ZINC000649643587 398018432 /nfs/dbraw/zinc/01/84/32/398018432.db2.gz SXRNYSPUPHRKOI-UHFFFAOYSA-N 0 3 241.737 3.668 20 0 BHADHN FC(F)(F)CCCCN1CCC12CCCC2 ZINC000649658045 398025381 /nfs/dbraw/zinc/02/53/81/398025381.db2.gz WADUXIAFMPMNMV-UHFFFAOYSA-N 0 3 235.293 3.738 20 0 BHADHN C[C@@H](NC1(C2CCC2)CC1)c1ccccc1F ZINC000649808008 398112572 /nfs/dbraw/zinc/11/25/72/398112572.db2.gz NQJOYTKCQRPYEY-LLVKDONJSA-N 0 3 233.330 3.809 20 0 BHADHN C[C@H](NC1(C2CCC2)CC1)c1ccccc1F ZINC000649808009 398112900 /nfs/dbraw/zinc/11/29/00/398112900.db2.gz NQJOYTKCQRPYEY-NSHDSACASA-N 0 3 233.330 3.809 20 0 BHADHN c1c2ccccc2oc1CNC1(C2CCC2)CC1 ZINC000649808596 398115349 /nfs/dbraw/zinc/11/53/49/398115349.db2.gz JGOFJEFKYFRQIC-UHFFFAOYSA-N 0 3 241.334 3.855 20 0 BHADHN Clc1ccsc1CNC1(C2CCC2)CC1 ZINC000649811225 398118763 /nfs/dbraw/zinc/11/87/63/398118763.db2.gz JVWLJFUABCUQNG-UHFFFAOYSA-N 0 3 241.787 3.824 20 0 BHADHN Cc1ccc(F)c(CNC2(C3CCC3)CC2)c1 ZINC000649811237 398119182 /nfs/dbraw/zinc/11/91/82/398119182.db2.gz KKEXFKSYLUUWFP-UHFFFAOYSA-N 0 3 233.330 3.556 20 0 BHADHN Cc1c2cccc(C)c2oc1CN(C)CCCF ZINC000649819773 398121670 /nfs/dbraw/zinc/12/16/70/398121670.db2.gz FSMSYYVMDVHQSD-UHFFFAOYSA-N 0 3 249.329 3.841 20 0 BHADHN CCC(C)(C)CCN(C)Cc1ccc(C)cn1 ZINC000649900627 398170701 /nfs/dbraw/zinc/17/07/01/398170701.db2.gz NVMSGGMNHVUTOB-UHFFFAOYSA-N 0 3 234.387 3.648 20 0 BHADHN Cc1ccc(CN(C)[C@H]2C=CCCCCC2)nc1 ZINC000649903978 398174684 /nfs/dbraw/zinc/17/46/84/398174684.db2.gz FAVKLTDIDZFWOO-INIZCTEOSA-N 0 3 244.382 3.711 20 0 BHADHN Cc1ccc(CN(C)[C@@H]2C=CCCCCC2)nc1 ZINC000649903979 398175055 /nfs/dbraw/zinc/17/50/55/398175055.db2.gz FAVKLTDIDZFWOO-MRXNPFEDSA-N 0 3 244.382 3.711 20 0 BHADHN Cc1ccc(CN(C)CCCC(C)(C)C)nc1 ZINC000649904012 398174583 /nfs/dbraw/zinc/17/45/83/398174583.db2.gz HZQPXLYJRNANJJ-UHFFFAOYSA-N 0 3 234.387 3.648 20 0 BHADHN Cc1ccc(CN(C)CCC2=CCCCC2)nc1 ZINC000649904212 398177198 /nfs/dbraw/zinc/17/71/98/398177198.db2.gz PHDOMVJSXYAHLB-UHFFFAOYSA-N 0 3 244.382 3.712 20 0 BHADHN CCC[C@@H](NCc1oc(C)nc1C)C(C)(C)C ZINC000649931942 398190381 /nfs/dbraw/zinc/19/03/81/398190381.db2.gz LQVUCCZFWODQGO-CYBMUJFWSA-N 0 3 238.375 3.596 20 0 BHADHN CCC[C@H](NCc1oc(C)nc1C)C(C)(C)C ZINC000649931943 398190518 /nfs/dbraw/zinc/19/05/18/398190518.db2.gz LQVUCCZFWODQGO-ZDUSSCGKSA-N 0 3 238.375 3.596 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1cccnc1 ZINC000650132397 397939572 /nfs/dbraw/zinc/93/95/72/397939572.db2.gz NGGYCARYOUVHFO-FPMFFAJLSA-N 0 3 232.371 3.557 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1cccnc1 ZINC000650132398 397939504 /nfs/dbraw/zinc/93/95/04/397939504.db2.gz NGGYCARYOUVHFO-KWCYVHTRSA-N 0 3 232.371 3.557 20 0 BHADHN c1coc([C@@H]2N(C3CCCC3)CC23CCC3)c1 ZINC000650192633 397977141 /nfs/dbraw/zinc/97/71/41/397977141.db2.gz BITDRPIHQMIKPK-AWEZNQCLSA-N 0 3 231.339 3.749 20 0 BHADHN c1coc([C@H]2N(C3CCCC3)CC23CCC3)c1 ZINC000650192634 397977157 /nfs/dbraw/zinc/97/71/57/397977157.db2.gz BITDRPIHQMIKPK-CQSZACIVSA-N 0 3 231.339 3.749 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1cc(C(C)C)no1 ZINC000651229806 410870666 /nfs/dbraw/zinc/87/06/66/410870666.db2.gz NCXJYPIUNJQSMW-LLVKDONJSA-N 0 3 238.375 3.712 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1cc(C(C)C)no1 ZINC000651229807 410871631 /nfs/dbraw/zinc/87/16/31/410871631.db2.gz NCXJYPIUNJQSMW-NSHDSACASA-N 0 3 238.375 3.712 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@@H]1CCCCC[C@H]1C ZINC000651238063 487705659 /nfs/dbraw/zinc/70/56/59/487705659.db2.gz NDUJABHDLFYNQC-HZSPNIEDSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@H]1CCCCC[C@@H]1C ZINC000651238064 487705688 /nfs/dbraw/zinc/70/56/88/487705688.db2.gz NDUJABHDLFYNQC-IHRRRGAJSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@@H]1CCCCC[C@@H]1C ZINC000651238065 487706091 /nfs/dbraw/zinc/70/60/91/487706091.db2.gz NDUJABHDLFYNQC-MELADBBJSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@H]1CCCCC[C@H]1C ZINC000651238066 487706025 /nfs/dbraw/zinc/70/60/25/487706025.db2.gz NDUJABHDLFYNQC-RDBSUJKOSA-N 0 3 249.402 3.522 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1nc(C)c(C)s1 ZINC000651240608 410877707 /nfs/dbraw/zinc/87/77/07/410877707.db2.gz CYJXYJUEAJHIMM-LLVKDONJSA-N 0 3 240.416 3.674 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1nc(C)c(C)s1 ZINC000651240609 410877074 /nfs/dbraw/zinc/87/70/74/410877074.db2.gz CYJXYJUEAJHIMM-NSHDSACASA-N 0 3 240.416 3.674 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1ccc(Cl)cn1 ZINC000651285486 410900302 /nfs/dbraw/zinc/90/03/02/410900302.db2.gz XHQMUBZWHLNSIH-JTQLQIEISA-N 0 3 240.778 3.649 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1ccc(Cl)cn1 ZINC000651285487 410901366 /nfs/dbraw/zinc/90/13/66/410901366.db2.gz XHQMUBZWHLNSIH-SNVBAGLBSA-N 0 3 240.778 3.649 20 0 BHADHN Cc1ncc([C@H](C)NCC2=CCCCC2)s1 ZINC000651373023 410957736 /nfs/dbraw/zinc/95/77/36/410957736.db2.gz JVJMVHOIUFTWJG-JTQLQIEISA-N 0 3 236.384 3.603 20 0 BHADHN Cc1ncc([C@@H](C)NCC2=CCCCC2)s1 ZINC000651373024 410957296 /nfs/dbraw/zinc/95/72/96/410957296.db2.gz JVJMVHOIUFTWJG-SNVBAGLBSA-N 0 3 236.384 3.603 20 0 BHADHN Cc1ccc([C@@H](C)NCC2=CCCCC2)c(C)n1 ZINC000651373034 410958629 /nfs/dbraw/zinc/95/86/29/410958629.db2.gz OPLKMVQHTLYFDU-CYBMUJFWSA-N 0 3 244.382 3.849 20 0 BHADHN Cc1ccc([C@H](C)NCC2=CCCCC2)c(C)n1 ZINC000651373035 410958575 /nfs/dbraw/zinc/95/85/75/410958575.db2.gz OPLKMVQHTLYFDU-ZDUSSCGKSA-N 0 3 244.382 3.849 20 0 BHADHN Cc1ccc(F)c(CCN[C@H](C)c2ccoc2)c1 ZINC000651454318 411037756 /nfs/dbraw/zinc/03/77/56/411037756.db2.gz QKKXIHFKVCJOAI-GFCCVEGCSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1ccc(F)c(CCN[C@@H](C)c2ccoc2)c1 ZINC000651454319 411037896 /nfs/dbraw/zinc/03/78/96/411037896.db2.gz QKKXIHFKVCJOAI-LBPRGKRZSA-N 0 3 247.313 3.620 20 0 BHADHN c1cc(CNCc2cccc3c2CCC3)cs1 ZINC000651664518 487813680 /nfs/dbraw/zinc/81/36/80/487813680.db2.gz SKJWENIATFCVOE-UHFFFAOYSA-N 0 3 243.375 3.527 20 0 BHADHN c1csc(CNCc2cccc3c2CCC3)c1 ZINC000651665593 487813112 /nfs/dbraw/zinc/81/31/12/487813112.db2.gz CQHQGASREIQUCU-UHFFFAOYSA-N 0 3 243.375 3.527 20 0 BHADHN CCc1cccc(CNCc2ccccc2)c1 ZINC000651667508 411133514 /nfs/dbraw/zinc/13/35/14/411133514.db2.gz FQNCSOBMPRDMDB-UHFFFAOYSA-N 0 3 225.335 3.539 20 0 BHADHN CCCN[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651668324 411134355 /nfs/dbraw/zinc/13/43/55/411134355.db2.gz GUTJKSVBATVRSD-CYBMUJFWSA-N 0 3 240.350 3.809 20 0 BHADHN CCCN[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651668325 411134016 /nfs/dbraw/zinc/13/40/16/411134016.db2.gz GUTJKSVBATVRSD-ZDUSSCGKSA-N 0 3 240.350 3.809 20 0 BHADHN CCc1cccc(CNCc2ccc(F)cc2)c1 ZINC000651668758 411134454 /nfs/dbraw/zinc/13/44/54/411134454.db2.gz XQBWHIRDHDWEAF-UHFFFAOYSA-N 0 3 243.325 3.678 20 0 BHADHN C[C@@H](NC1CC1)c1ccc(-c2ccccc2)cn1 ZINC000651670905 411134711 /nfs/dbraw/zinc/13/47/11/411134711.db2.gz ZKQJRMFPRSTKAL-GFCCVEGCSA-N 0 3 238.334 3.562 20 0 BHADHN C[C@H](NC1CC1)c1ccc(-c2ccccc2)cn1 ZINC000651670907 411134968 /nfs/dbraw/zinc/13/49/68/411134968.db2.gz ZKQJRMFPRSTKAL-LBPRGKRZSA-N 0 3 238.334 3.562 20 0 BHADHN CC(C)N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651671378 411134813 /nfs/dbraw/zinc/13/48/13/411134813.db2.gz PBKPMMPSRNLCFN-CYBMUJFWSA-N 0 3 240.350 3.808 20 0 BHADHN CC(C)N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651671379 411134725 /nfs/dbraw/zinc/13/47/25/411134725.db2.gz PBKPMMPSRNLCFN-ZDUSSCGKSA-N 0 3 240.350 3.808 20 0 BHADHN CC[C@]1(C)CCC[C@H]1NCc1csc(C)n1 ZINC000651671691 411134713 /nfs/dbraw/zinc/13/47/13/411134713.db2.gz AGCCHQBHUPVBHM-CHWSQXEVSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@]1(C)CCC[C@H]1NCc1csc(C)n1 ZINC000651671692 411134635 /nfs/dbraw/zinc/13/46/35/411134635.db2.gz AGCCHQBHUPVBHM-OLZOCXBDSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@]1(C)CCC[C@@H]1NCc1csc(C)n1 ZINC000651671693 411134731 /nfs/dbraw/zinc/13/47/31/411134731.db2.gz AGCCHQBHUPVBHM-QWHCGFSZSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@]1(C)CCC[C@@H]1NCc1csc(C)n1 ZINC000651671694 411134798 /nfs/dbraw/zinc/13/47/98/411134798.db2.gz AGCCHQBHUPVBHM-STQMWFEESA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@]1(C)CCC[C@@H]1NCc1nc(C)cs1 ZINC000651672492 411134948 /nfs/dbraw/zinc/13/49/48/411134948.db2.gz BBEGDSOZEAAQPP-AAEUAGOBSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@]1(C)CCC[C@H]1NCc1nc(C)cs1 ZINC000651672493 411134620 /nfs/dbraw/zinc/13/46/20/411134620.db2.gz BBEGDSOZEAAQPP-DGCLKSJQSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@]1(C)CCC[C@@H]1NCc1nc(C)cs1 ZINC000651672494 411134719 /nfs/dbraw/zinc/13/47/19/411134719.db2.gz BBEGDSOZEAAQPP-WCQYABFASA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@]1(C)CCC[C@H]1NCc1nc(C)cs1 ZINC000651672495 411134941 /nfs/dbraw/zinc/13/49/41/411134941.db2.gz BBEGDSOZEAAQPP-YPMHNXCESA-N 0 3 238.400 3.510 20 0 BHADHN Fc1ccc2c(c1Cl)[C@H](NC1CCC1)CC2 ZINC000651701079 490134066 /nfs/dbraw/zinc/13/40/66/490134066.db2.gz FGFMGVCBBOOZIQ-LLVKDONJSA-N 0 3 239.721 3.609 20 0 BHADHN Fc1ccc2c(c1Cl)[C@@H](NC1CCC1)CC2 ZINC000651701080 490133939 /nfs/dbraw/zinc/13/39/39/490133939.db2.gz FGFMGVCBBOOZIQ-NSHDSACASA-N 0 3 239.721 3.609 20 0 BHADHN CC[C@@]1(C)CCC[C@@H]1NCc1ncc(C)s1 ZINC000651715340 411138314 /nfs/dbraw/zinc/13/83/14/411138314.db2.gz JOLREWDVKATAJZ-AAEUAGOBSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@]1(C)CCC[C@H]1NCc1ncc(C)s1 ZINC000651715341 411138268 /nfs/dbraw/zinc/13/82/68/411138268.db2.gz JOLREWDVKATAJZ-DGCLKSJQSA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@]1(C)CCC[C@@H]1NCc1ncc(C)s1 ZINC000651715342 411138086 /nfs/dbraw/zinc/13/80/86/411138086.db2.gz JOLREWDVKATAJZ-WCQYABFASA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@]1(C)CCC[C@H]1NCc1ncc(C)s1 ZINC000651715343 411138169 /nfs/dbraw/zinc/13/81/69/411138169.db2.gz JOLREWDVKATAJZ-YPMHNXCESA-N 0 3 238.400 3.510 20 0 BHADHN CC[C@@]1(C)CCC[C@H]1NCc1ccn(C(C)C)n1 ZINC000651719622 411138429 /nfs/dbraw/zinc/13/84/29/411138429.db2.gz ZPYOWLFCTQHCSO-CABCVRRESA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@]1(C)CCC[C@@H]1NCc1ccn(C(C)C)n1 ZINC000651719623 411138367 /nfs/dbraw/zinc/13/83/67/411138367.db2.gz ZPYOWLFCTQHCSO-GJZGRUSLSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@]1(C)CCC[C@H]1NCc1ccn(C(C)C)n1 ZINC000651719624 411138389 /nfs/dbraw/zinc/13/83/89/411138389.db2.gz ZPYOWLFCTQHCSO-HUUCEWRRSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@]1(C)CCC[C@@H]1NCc1ccn(C(C)C)n1 ZINC000651719625 411138445 /nfs/dbraw/zinc/13/84/45/411138445.db2.gz ZPYOWLFCTQHCSO-LSDHHAIUSA-N 0 3 249.402 3.522 20 0 BHADHN CCC1(CC)CCC(NCc2ccon2)CC1 ZINC000651729178 411139211 /nfs/dbraw/zinc/13/92/11/411139211.db2.gz YJCSVVBUUAQSLU-UHFFFAOYSA-N 0 3 236.359 3.513 20 0 BHADHN CCC1(CC)CCC(NCc2ccno2)CC1 ZINC000651760550 411142113 /nfs/dbraw/zinc/14/21/13/411142113.db2.gz GBSYFZRQAGMDID-UHFFFAOYSA-N 0 3 236.359 3.513 20 0 BHADHN C[C@@H]1CCCCC[C@H]1NC(C)(C)C(F)F ZINC000651790557 411144077 /nfs/dbraw/zinc/14/40/77/411144077.db2.gz ATVWUNZDLHVKNY-NXEZZACHSA-N 0 3 219.319 3.589 20 0 BHADHN C[C@H]1CCCCC[C@@H]1NC(C)(C)C(F)F ZINC000651790558 411144149 /nfs/dbraw/zinc/14/41/49/411144149.db2.gz ATVWUNZDLHVKNY-UWVGGRQHSA-N 0 3 219.319 3.589 20 0 BHADHN C[C@H]1CCCCC[C@H]1NC(C)(C)C(F)F ZINC000651790559 411143924 /nfs/dbraw/zinc/14/39/24/411143924.db2.gz ATVWUNZDLHVKNY-VHSXEESVSA-N 0 3 219.319 3.589 20 0 BHADHN C[C@@H]1CCCCC[C@@H]1NC(C)(C)C(F)F ZINC000651790560 411144177 /nfs/dbraw/zinc/14/41/77/411144177.db2.gz ATVWUNZDLHVKNY-ZJUUUORDSA-N 0 3 219.319 3.589 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@]1(C)CC ZINC000651822671 411146079 /nfs/dbraw/zinc/14/60/79/411146079.db2.gz GDLRBQRZGDTPJZ-GUTXKFCHSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@@]1(C)CC ZINC000651822672 411146041 /nfs/dbraw/zinc/14/60/41/411146041.db2.gz GDLRBQRZGDTPJZ-GZBFAFLISA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@H]1CCC[C@@]1(C)CC ZINC000651822673 411146120 /nfs/dbraw/zinc/14/61/20/411146120.db2.gz GDLRBQRZGDTPJZ-KCQAQPDRSA-N 0 3 249.402 3.522 20 0 BHADHN CCn1ccnc1[C@H](C)N[C@H]1CCC[C@]1(C)CC ZINC000651822674 411146099 /nfs/dbraw/zinc/14/60/99/411146099.db2.gz GDLRBQRZGDTPJZ-YDHLFZDLSA-N 0 3 249.402 3.522 20 0 BHADHN COc1cc(C)ccc1CN1CCC12CCCC2 ZINC000651873072 411148384 /nfs/dbraw/zinc/14/83/84/411148384.db2.gz PUSKTHDHCODPSG-UHFFFAOYSA-N 0 3 245.366 3.522 20 0 BHADHN COc1cc(CN2CCC23CCCC3)ccc1C ZINC000651873131 411148218 /nfs/dbraw/zinc/14/82/18/411148218.db2.gz SVEPWMUWTRQOTG-UHFFFAOYSA-N 0 3 245.366 3.522 20 0 BHADHN c1c2ccccc2[nH]c1CN1CCC12CCCC2 ZINC000651873580 411148305 /nfs/dbraw/zinc/14/83/05/411148305.db2.gz MWAXNUORSHJFSX-UHFFFAOYSA-N 0 3 240.350 3.686 20 0 BHADHN c1nc(C2CC2)sc1CN1CCC12CCCC2 ZINC000651873652 411148576 /nfs/dbraw/zinc/14/85/76/411148576.db2.gz QCMOOMQBHNTEGC-UHFFFAOYSA-N 0 3 248.395 3.539 20 0 BHADHN c1nc(C2CC2)c(CN2CCC23CCCC3)s1 ZINC000651873828 411148496 /nfs/dbraw/zinc/14/84/96/411148496.db2.gz XQQFRHGVPBEIJT-UHFFFAOYSA-N 0 3 248.395 3.539 20 0 BHADHN CCOc1cccc(CN2CCC23CCCC3)c1 ZINC000651873898 411147929 /nfs/dbraw/zinc/14/79/29/411147929.db2.gz BMVUOJNRMNASQU-UHFFFAOYSA-N 0 3 245.366 3.604 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1ccccn1 ZINC000651911487 490153333 /nfs/dbraw/zinc/15/33/33/490153333.db2.gz BBNGPIVWJXTMFZ-MBNYWOFBSA-N 0 3 232.371 3.557 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1ccccn1 ZINC000651911488 490153730 /nfs/dbraw/zinc/15/37/30/490153730.db2.gz BBNGPIVWJXTMFZ-SGMGOOAPSA-N 0 3 232.371 3.557 20 0 BHADHN Cc1cccc(CNC2(C3CCC3)CC2)c1F ZINC000651958713 491099015 /nfs/dbraw/zinc/09/90/15/491099015.db2.gz ORIPWYOKDCXFRC-UHFFFAOYSA-N 0 3 233.330 3.556 20 0 BHADHN Clc1sccc1CNC1(C2CCC2)CC1 ZINC000651958735 487596880 /nfs/dbraw/zinc/59/68/80/487596880.db2.gz PTKZUTMXOZDOMQ-UHFFFAOYSA-N 0 3 241.787 3.824 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC2(C3CCC3)CC2)o1 ZINC000651959348 409741466 /nfs/dbraw/zinc/74/14/66/409741466.db2.gz IZFCJSUMVXWWKW-BXUZGUMPSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNC2(C3CCC3)CC2)o1 ZINC000651959349 409741651 /nfs/dbraw/zinc/74/16/51/409741651.db2.gz IZFCJSUMVXWWKW-FZMZJTMJSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC2(C3CCC3)CC2)o1 ZINC000651959350 409740908 /nfs/dbraw/zinc/74/09/08/409740908.db2.gz IZFCJSUMVXWWKW-RISCZKNCSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNC2(C3CCC3)CC2)o1 ZINC000651959351 409741678 /nfs/dbraw/zinc/74/16/78/409741678.db2.gz IZFCJSUMVXWWKW-SMDDNHRTSA-N 0 3 245.366 3.825 20 0 BHADHN Clc1cscc1CNC1(C2CCC2)CC1 ZINC000651959375 487621118 /nfs/dbraw/zinc/62/11/18/487621118.db2.gz JZEQRTNLKUVXCE-UHFFFAOYSA-N 0 3 241.787 3.824 20 0 BHADHN CCc1cccc(CNCc2ccsc2C)c1 ZINC000652032951 411083689 /nfs/dbraw/zinc/08/36/89/411083689.db2.gz PCLCFRIEOQUPAJ-UHFFFAOYSA-N 0 3 245.391 3.909 20 0 BHADHN CCc1cccc(CNCc2csc(C)c2)c1 ZINC000652032978 411084253 /nfs/dbraw/zinc/08/42/53/411084253.db2.gz QTZAPXWJXXMYRA-UHFFFAOYSA-N 0 3 245.391 3.909 20 0 BHADHN Cc1ccc(F)c(CNC2CC3(CCC3)C2)c1 ZINC000652041525 411091007 /nfs/dbraw/zinc/09/10/07/411091007.db2.gz FZLUCLLRAKKIPM-UHFFFAOYSA-N 0 3 233.330 3.556 20 0 BHADHN Cc1cccc(CNC2CC3(CCC3)C2)c1F ZINC000652042083 411092594 /nfs/dbraw/zinc/09/25/94/411092594.db2.gz DUADPFGETQOXSI-UHFFFAOYSA-N 0 3 233.330 3.556 20 0 BHADHN Clc1cscc1CNC1CC2(CCC2)C1 ZINC000652042181 411092785 /nfs/dbraw/zinc/09/27/85/411092785.db2.gz MHKBJFCIQHQZCI-UHFFFAOYSA-N 0 3 241.787 3.824 20 0 BHADHN Clc1ccsc1CNC1CC2(CCC2)C1 ZINC000652042224 411092295 /nfs/dbraw/zinc/09/22/95/411092295.db2.gz PNCLGSDFCGKFEV-UHFFFAOYSA-N 0 3 241.787 3.824 20 0 BHADHN Clc1sccc1CNC1CC2(CCC2)C1 ZINC000652042245 411091799 /nfs/dbraw/zinc/09/17/99/411091799.db2.gz SDHKMKZJZJEPCF-UHFFFAOYSA-N 0 3 241.787 3.824 20 0 BHADHN Cc1ccccc1[C@@H]1C[C@H]1N[C@@H](C)c1ccco1 ZINC000652239666 411178642 /nfs/dbraw/zinc/17/86/42/411178642.db2.gz ZYXCSOKXUFNAIP-AEGPPILISA-N 0 3 241.334 3.795 20 0 BHADHN Cc1ccccc1[C@@H]1C[C@H]1N[C@H](C)c1ccco1 ZINC000652239667 411178375 /nfs/dbraw/zinc/17/83/75/411178375.db2.gz ZYXCSOKXUFNAIP-VHDGCEQUSA-N 0 3 241.334 3.795 20 0 BHADHN Cc1ccccc1[C@@H]1C[C@H]1N[C@H](C)c1ccoc1 ZINC000652239946 411178857 /nfs/dbraw/zinc/17/88/57/411178857.db2.gz JXRZIFZNBZHUCH-UHOFOFEASA-N 0 3 241.334 3.795 20 0 BHADHN Cc1ccccc1[C@@H]1C[C@H]1N[C@@H](C)c1ccoc1 ZINC000652239947 411178195 /nfs/dbraw/zinc/17/81/95/411178195.db2.gz JXRZIFZNBZHUCH-VBNZEHGJSA-N 0 3 241.334 3.795 20 0 BHADHN Cc1cncc([C@H](C)N[C@@H]2C[C@H]2CC(C)(C)C)c1 ZINC000652240494 411178207 /nfs/dbraw/zinc/17/82/07/411178207.db2.gz DFDKKZUXVVIYCG-KCQAQPDRSA-N 0 3 246.398 3.865 20 0 BHADHN Cc1cncc([C@@H](C)N[C@@H]2C[C@H]2CC(C)(C)C)c1 ZINC000652240495 411178745 /nfs/dbraw/zinc/17/87/45/411178745.db2.gz DFDKKZUXVVIYCG-VNHYZAJKSA-N 0 3 246.398 3.865 20 0 BHADHN Cc1ccncc1[C@H](C)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652241122 411179139 /nfs/dbraw/zinc/17/91/39/411179139.db2.gz WKNZPLYEUWDOLE-KCQAQPDRSA-N 0 3 246.398 3.865 20 0 BHADHN Cc1ccncc1[C@@H](C)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652241123 411179143 /nfs/dbraw/zinc/17/91/43/411179143.db2.gz WKNZPLYEUWDOLE-VNHYZAJKSA-N 0 3 246.398 3.865 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1ccoc1 ZINC000652241578 487887893 /nfs/dbraw/zinc/88/78/93/487887893.db2.gz PRNFXSUOMQQBAM-KGYLQXTDSA-N 0 3 221.344 3.755 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1ccoc1 ZINC000652241579 487887779 /nfs/dbraw/zinc/88/77/79/487887779.db2.gz PRNFXSUOMQQBAM-WCFLWFBJSA-N 0 3 221.344 3.755 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1ccco1 ZINC000652241679 487887934 /nfs/dbraw/zinc/88/79/34/487887934.db2.gz VHFBBTJAKHYCPS-GRYCIOLGSA-N 0 3 221.344 3.755 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1ccco1 ZINC000652241680 487888310 /nfs/dbraw/zinc/88/83/10/487888310.db2.gz VHFBBTJAKHYCPS-SDDRHHMPSA-N 0 3 221.344 3.755 20 0 BHADHN C[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1cncs1 ZINC000652241703 487888410 /nfs/dbraw/zinc/88/84/10/487888410.db2.gz XCEGIOHOABQMBI-GARJFASQSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1cncs1 ZINC000652241704 487888197 /nfs/dbraw/zinc/88/81/97/487888197.db2.gz XCEGIOHOABQMBI-OUAUKWLOSA-N 0 3 238.400 3.618 20 0 BHADHN COc1ccccc1[C@@H](C)NC1(C2CCC2)CC1 ZINC000652271152 411184135 /nfs/dbraw/zinc/18/41/35/411184135.db2.gz CCZJVGFZWCQNOL-GFCCVEGCSA-N 0 3 245.366 3.679 20 0 BHADHN COc1ccccc1[C@H](C)NC1(C2CCC2)CC1 ZINC000652271153 411184687 /nfs/dbraw/zinc/18/46/87/411184687.db2.gz CCZJVGFZWCQNOL-LBPRGKRZSA-N 0 3 245.366 3.679 20 0 BHADHN Cc1ccc([C@@H](C)NC2(C3CCC3)CC2)o1 ZINC000652271597 411184432 /nfs/dbraw/zinc/18/44/32/411184432.db2.gz QVSBZGFXGPHSKF-LLVKDONJSA-N 0 3 219.328 3.571 20 0 BHADHN Cc1ccc([C@H](C)NC2(C3CCC3)CC2)o1 ZINC000652271598 411184406 /nfs/dbraw/zinc/18/44/06/411184406.db2.gz QVSBZGFXGPHSKF-NSHDSACASA-N 0 3 219.328 3.571 20 0 BHADHN CCc1cccnc1[C@@H](C)NC1(C2CCC2)CC1 ZINC000652272414 411184186 /nfs/dbraw/zinc/18/41/86/411184186.db2.gz KZLVWRUMYMTCAV-GFCCVEGCSA-N 0 3 244.382 3.627 20 0 BHADHN CCc1cccnc1[C@H](C)NC1(C2CCC2)CC1 ZINC000652272415 411184791 /nfs/dbraw/zinc/18/47/91/411184791.db2.gz KZLVWRUMYMTCAV-LBPRGKRZSA-N 0 3 244.382 3.627 20 0 BHADHN Cc1cc([C@@H](C)NC2(C3CCC3)CC2)c(C)o1 ZINC000652272655 411185788 /nfs/dbraw/zinc/18/57/88/411185788.db2.gz SEYVPJSWBOQSTP-LLVKDONJSA-N 0 3 233.355 3.880 20 0 BHADHN Cc1cc([C@H](C)NC2(C3CCC3)CC2)c(C)o1 ZINC000652272656 411185818 /nfs/dbraw/zinc/18/58/18/411185818.db2.gz SEYVPJSWBOQSTP-NSHDSACASA-N 0 3 233.355 3.880 20 0 BHADHN CCc1ccc([C@@H](C)NC2(C3CCC3)CC2)o1 ZINC000652272894 411185286 /nfs/dbraw/zinc/18/52/86/411185286.db2.gz ZHMNDDWSJCHICH-LLVKDONJSA-N 0 3 233.355 3.825 20 0 BHADHN CCc1ccc([C@H](C)NC2(C3CCC3)CC2)o1 ZINC000652272895 411185129 /nfs/dbraw/zinc/18/51/29/411185129.db2.gz ZHMNDDWSJCHICH-NSHDSACASA-N 0 3 233.355 3.825 20 0 BHADHN Cc1cc([C@@H](C)NC2(C3CCC3)CC2)oc1C ZINC000652273070 411185847 /nfs/dbraw/zinc/18/58/47/411185847.db2.gz APWRFRCXKVMKOU-LLVKDONJSA-N 0 3 233.355 3.880 20 0 BHADHN Cc1cc([C@H](C)NC2(C3CCC3)CC2)oc1C ZINC000652273071 411185824 /nfs/dbraw/zinc/18/58/24/411185824.db2.gz APWRFRCXKVMKOU-NSHDSACASA-N 0 3 233.355 3.880 20 0 BHADHN Cc1cc([C@@H](C)NC2CC3(CCC3)C2)oc1C ZINC000652327733 411201995 /nfs/dbraw/zinc/20/19/95/411201995.db2.gz IJPHSEGHIBLXCF-LLVKDONJSA-N 0 3 233.355 3.880 20 0 BHADHN Cc1cc([C@H](C)NC2CC3(CCC3)C2)oc1C ZINC000652327734 411202528 /nfs/dbraw/zinc/20/25/28/411202528.db2.gz IJPHSEGHIBLXCF-NSHDSACASA-N 0 3 233.355 3.880 20 0 BHADHN CCc1cccnc1[C@@H](C)NC1CC2(CCC2)C1 ZINC000652327901 411202211 /nfs/dbraw/zinc/20/22/11/411202211.db2.gz NQOMCCDCTUGSJY-GFCCVEGCSA-N 0 3 244.382 3.627 20 0 BHADHN CCc1cccnc1[C@H](C)NC1CC2(CCC2)C1 ZINC000652327902 411202371 /nfs/dbraw/zinc/20/23/71/411202371.db2.gz NQOMCCDCTUGSJY-LBPRGKRZSA-N 0 3 244.382 3.627 20 0 BHADHN CC[C@@H](NC1CC2(CCC2)C1)c1ccc(F)cn1 ZINC000652327979 411202650 /nfs/dbraw/zinc/20/26/50/411202650.db2.gz PZAFBUKYBJPLSO-CYBMUJFWSA-N 0 3 248.345 3.594 20 0 BHADHN CC[C@H](NC1CC2(CCC2)C1)c1ccc(F)cn1 ZINC000652327980 411202387 /nfs/dbraw/zinc/20/23/87/411202387.db2.gz PZAFBUKYBJPLSO-ZDUSSCGKSA-N 0 3 248.345 3.594 20 0 BHADHN CCc1ccc([C@@H](C)NC2CC3(CCC3)C2)o1 ZINC000652328147 411201507 /nfs/dbraw/zinc/20/15/07/411201507.db2.gz WVSQFCRMULUNGY-LLVKDONJSA-N 0 3 233.355 3.825 20 0 BHADHN CCc1ccc([C@H](C)NC2CC3(CCC3)C2)o1 ZINC000652328148 411201151 /nfs/dbraw/zinc/20/11/51/411201151.db2.gz WVSQFCRMULUNGY-NSHDSACASA-N 0 3 233.355 3.825 20 0 BHADHN CN(CCC(C)(C)C1CC1)Cc1ccco1 ZINC000653480729 487879829 /nfs/dbraw/zinc/87/98/29/487879829.db2.gz OAHWZVUPFCKAOV-UHFFFAOYSA-N 0 3 221.344 3.538 20 0 BHADHN CCCCN(Cc1c(C)nsc1C)C1CC1 ZINC000653494699 411389381 /nfs/dbraw/zinc/38/93/81/411389381.db2.gz KUNYDQLORJPPIW-UHFFFAOYSA-N 0 3 238.400 3.524 20 0 BHADHN COc1ccc(C(C)C)cc1CN(C)CC1CC1 ZINC000653498937 411413749 /nfs/dbraw/zinc/41/37/49/411413749.db2.gz SXGFKMKSWLIFRU-UHFFFAOYSA-N 0 3 247.382 3.660 20 0 BHADHN CN(CCC(C)(C)C1CC1)Cc1ccoc1 ZINC000653504323 411415236 /nfs/dbraw/zinc/41/52/36/411415236.db2.gz PZXBRGUWNFSWQV-UHFFFAOYSA-N 0 3 221.344 3.538 20 0 BHADHN CCCN(C)Cc1cc(C(C)C)ccc1OC ZINC000653524501 411417940 /nfs/dbraw/zinc/41/79/40/411417940.db2.gz PHVNXXXUDALCKO-UHFFFAOYSA-N 0 3 235.371 3.660 20 0 BHADHN Cc1nsc(C)c1CN1[C@H](C)CCC[C@H]1C ZINC000653554775 411420632 /nfs/dbraw/zinc/42/06/32/411420632.db2.gz VNDOWJYDKVILEJ-NXEZZACHSA-N 0 3 238.400 3.523 20 0 BHADHN Cc1nsc(C)c1CN1[C@@H](C)CCC[C@@H]1C ZINC000653554776 411419723 /nfs/dbraw/zinc/41/97/23/411419723.db2.gz VNDOWJYDKVILEJ-UWVGGRQHSA-N 0 3 238.400 3.523 20 0 BHADHN COc1ccc(C(C)C)cc1CN(C)C1CCC1 ZINC000653559677 487966473 /nfs/dbraw/zinc/96/64/73/487966473.db2.gz NYGGIKWBSBRJTK-UHFFFAOYSA-N 0 3 247.382 3.803 20 0 BHADHN CCN(CCC(C)(C)C1CC1)Cc1ccccn1 ZINC000653568555 411423301 /nfs/dbraw/zinc/42/33/01/411423301.db2.gz BKNRDWBCRNDESZ-UHFFFAOYSA-N 0 3 246.398 3.730 20 0 BHADHN Cc1cccc(CN(C)CCC(C)(C)C2CC2)n1 ZINC000653581631 487969357 /nfs/dbraw/zinc/96/93/57/487969357.db2.gz APLBGQRDUKWYCA-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN C[C@H](c1cccnc1)N(C)CCC(C)(C)C1CC1 ZINC000653593071 411426905 /nfs/dbraw/zinc/42/69/05/411426905.db2.gz DVUFWZULXBGDOE-CYBMUJFWSA-N 0 3 246.398 3.901 20 0 BHADHN C[C@@H](c1cccnc1)N(C)CCC(C)(C)C1CC1 ZINC000653593072 411427584 /nfs/dbraw/zinc/42/75/84/411427584.db2.gz DVUFWZULXBGDOE-ZDUSSCGKSA-N 0 3 246.398 3.901 20 0 BHADHN C[C@H](c1ccccn1)N(C)CCC(C)(C)C1CC1 ZINC000653593329 411426940 /nfs/dbraw/zinc/42/69/40/411426940.db2.gz XEUWVVHSVLOWMM-CYBMUJFWSA-N 0 3 246.398 3.901 20 0 BHADHN C[C@@H](c1ccccn1)N(C)CCC(C)(C)C1CC1 ZINC000653593330 411426845 /nfs/dbraw/zinc/42/68/45/411426845.db2.gz XEUWVVHSVLOWMM-ZDUSSCGKSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)(CCN1CC2(C1)CC(F)(F)C2)C1CC1 ZINC000653593808 411429380 /nfs/dbraw/zinc/42/93/80/411429380.db2.gz QUZYHAQLJGUGMU-UHFFFAOYSA-N 0 3 243.341 3.544 20 0 BHADHN Cc1ccncc1CN(C)CCC(C)(C)C1CC1 ZINC000653653639 411156126 /nfs/dbraw/zinc/15/61/26/411156126.db2.gz AOPLWVWRLWQYBU-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN(C)CCC(C)(C)C2CC2)nc1 ZINC000653732041 411274301 /nfs/dbraw/zinc/27/43/01/411274301.db2.gz SSOWARMAENPCJM-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1nsc(C)c1CN(C)CCC(C)(C)C ZINC000653775944 411165837 /nfs/dbraw/zinc/16/58/37/411165837.db2.gz LDBJDYMQEVECAQ-UHFFFAOYSA-N 0 3 240.416 3.628 20 0 BHADHN Cc1cc(CN2CCC[C@H]2CC2CCCC2)no1 ZINC000653892673 641714848 /nfs/dbraw/zinc/71/48/48/641714848.db2.gz MPMPZKRKYUMYQQ-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1cc(CN2CCC[C@@H]2CC2CCCC2)no1 ZINC000653892674 541470076 /nfs/dbraw/zinc/47/00/76/541470076.db2.gz MPMPZKRKYUMYQQ-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1cc(CN2CCC[C@H]2CC2CCCC2)on1 ZINC000653893328 411211418 /nfs/dbraw/zinc/21/14/18/411211418.db2.gz YUEYLWMKPAHBKI-AWEZNQCLSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1cc(CN2CCC[C@@H]2CC2CCCC2)on1 ZINC000653893329 411211666 /nfs/dbraw/zinc/21/16/66/411211666.db2.gz YUEYLWMKPAHBKI-CQSZACIVSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1cnc(CN2CCC[C@H]2CC2CCCC2)o1 ZINC000653893352 411211704 /nfs/dbraw/zinc/21/17/04/411211704.db2.gz ZEYJYZWBGHANEU-AWEZNQCLSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1cnc(CN2CCC[C@@H]2CC2CCCC2)o1 ZINC000653893353 411211747 /nfs/dbraw/zinc/21/17/47/411211747.db2.gz ZEYJYZWBGHANEU-CQSZACIVSA-N 0 3 248.370 3.528 20 0 BHADHN CC(C)CCC[C@H](C)N[C@H]1CCCn2ccnc21 ZINC000655680332 488168502 /nfs/dbraw/zinc/16/85/02/488168502.db2.gz LBTQKUVVXBXZGG-KBPBESRZSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)CCC[C@@H](C)N[C@H]1CCCn2ccnc21 ZINC000655680333 488168404 /nfs/dbraw/zinc/16/84/04/488168404.db2.gz LBTQKUVVXBXZGG-KGLIPLIRSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)CCC[C@H](C)N[C@@H]1CCCn2ccnc21 ZINC000655680334 488168333 /nfs/dbraw/zinc/16/83/33/488168333.db2.gz LBTQKUVVXBXZGG-UONOGXRCSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)CCC[C@@H](C)N[C@@H]1CCCn2ccnc21 ZINC000655680335 488168256 /nfs/dbraw/zinc/16/82/56/488168256.db2.gz LBTQKUVVXBXZGG-ZIAGYGMSSA-N 0 3 249.402 3.522 20 0 BHADHN CCCC[C@H](CC)CN[C@H]1CCCn2ccnc21 ZINC000655683290 411223578 /nfs/dbraw/zinc/22/35/78/411223578.db2.gz CZASMPRLJFUXIE-KBPBESRZSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@@H](CC)CN[C@H]1CCCn2ccnc21 ZINC000655683291 411223748 /nfs/dbraw/zinc/22/37/48/411223748.db2.gz CZASMPRLJFUXIE-KGLIPLIRSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@H](CC)CN[C@@H]1CCCn2ccnc21 ZINC000655683292 411224169 /nfs/dbraw/zinc/22/41/69/411224169.db2.gz CZASMPRLJFUXIE-UONOGXRCSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@@H](CC)CN[C@@H]1CCCn2ccnc21 ZINC000655683293 411225412 /nfs/dbraw/zinc/22/54/12/411225412.db2.gz CZASMPRLJFUXIE-ZIAGYGMSSA-N 0 3 249.402 3.524 20 0 BHADHN Cc1cc2c(c(C)c1)[C@@H](NCc1ccoc1)CC2 ZINC000655697166 411243942 /nfs/dbraw/zinc/24/39/42/411243942.db2.gz IUPGNGILYMSIDJ-HNNXBMFYSA-N 0 3 241.334 3.674 20 0 BHADHN Cc1cc2c(c(C)c1)[C@H](NCc1ccoc1)CC2 ZINC000655697168 411243967 /nfs/dbraw/zinc/24/39/67/411243967.db2.gz IUPGNGILYMSIDJ-OAHLLOKOSA-N 0 3 241.334 3.674 20 0 BHADHN CC(C)(C)CCCCN[C@@H]1CCCn2ccnc21 ZINC000655709391 411260142 /nfs/dbraw/zinc/26/01/42/411260142.db2.gz YVVCSJSYZYDRDJ-CYBMUJFWSA-N 0 3 249.402 3.524 20 0 BHADHN CC(C)(C)CCCCN[C@H]1CCCn2ccnc21 ZINC000655709392 411259527 /nfs/dbraw/zinc/25/95/27/411259527.db2.gz YVVCSJSYZYDRDJ-ZDUSSCGKSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@H](CCC)N[C@H]1CCCn2ccnc21 ZINC000655718789 411279493 /nfs/dbraw/zinc/27/94/93/411279493.db2.gz MXSJJMFFCQQXOP-KBPBESRZSA-N 0 3 249.402 3.667 20 0 BHADHN CCCC[C@@H](CCC)N[C@H]1CCCn2ccnc21 ZINC000655718790 411278946 /nfs/dbraw/zinc/27/89/46/411278946.db2.gz MXSJJMFFCQQXOP-KGLIPLIRSA-N 0 3 249.402 3.667 20 0 BHADHN CCCC[C@H](CCC)N[C@@H]1CCCn2ccnc21 ZINC000655718791 411279655 /nfs/dbraw/zinc/27/96/55/411279655.db2.gz MXSJJMFFCQQXOP-UONOGXRCSA-N 0 3 249.402 3.667 20 0 BHADHN CCCC[C@@H](CCC)N[C@@H]1CCCn2ccnc21 ZINC000655718792 411279410 /nfs/dbraw/zinc/27/94/10/411279410.db2.gz MXSJJMFFCQQXOP-ZIAGYGMSSA-N 0 3 249.402 3.667 20 0 BHADHN C[C@H](CCC(C)(C)C)N[C@@H]1CCCn2ccnc21 ZINC000655728686 411368248 /nfs/dbraw/zinc/36/82/48/411368248.db2.gz YDKNZXJRAVHVJV-CHWSQXEVSA-N 0 3 249.402 3.522 20 0 BHADHN C[C@H](CCC(C)(C)C)N[C@H]1CCCn2ccnc21 ZINC000655728687 411368140 /nfs/dbraw/zinc/36/81/40/411368140.db2.gz YDKNZXJRAVHVJV-OLZOCXBDSA-N 0 3 249.402 3.522 20 0 BHADHN C[C@@H](CCC(C)(C)C)N[C@@H]1CCCn2ccnc21 ZINC000655728688 411367820 /nfs/dbraw/zinc/36/78/20/411367820.db2.gz YDKNZXJRAVHVJV-QWHCGFSZSA-N 0 3 249.402 3.522 20 0 BHADHN C[C@@H](CCC(C)(C)C)N[C@H]1CCCn2ccnc21 ZINC000655728689 411367732 /nfs/dbraw/zinc/36/77/32/411367732.db2.gz YDKNZXJRAVHVJV-STQMWFEESA-N 0 3 249.402 3.522 20 0 BHADHN CCC(CC)(CC)CN[C@@H]1CCCn2ccnc21 ZINC000655733182 411441880 /nfs/dbraw/zinc/44/18/80/411441880.db2.gz KFHNROLJULAPLO-CYBMUJFWSA-N 0 3 249.402 3.524 20 0 BHADHN CCC(CC)(CC)CN[C@H]1CCCn2ccnc21 ZINC000655733183 411442367 /nfs/dbraw/zinc/44/23/67/411442367.db2.gz KFHNROLJULAPLO-ZDUSSCGKSA-N 0 3 249.402 3.524 20 0 BHADHN CCC[C@@H](N[C@@H]1CCCn2ccnc21)C(C)(C)C ZINC000655772703 411254983 /nfs/dbraw/zinc/25/49/83/411254983.db2.gz JVPOVOVAROUVMT-CHWSQXEVSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@H](N[C@@H]1CCCn2ccnc21)C(C)(C)C ZINC000655772704 411254729 /nfs/dbraw/zinc/25/47/29/411254729.db2.gz JVPOVOVAROUVMT-OLZOCXBDSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@@H](N[C@H]1CCCn2ccnc21)C(C)(C)C ZINC000655772705 411254593 /nfs/dbraw/zinc/25/45/93/411254593.db2.gz JVPOVOVAROUVMT-QWHCGFSZSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@H](N[C@H]1CCCn2ccnc21)C(C)(C)C ZINC000655772706 411254990 /nfs/dbraw/zinc/25/49/90/411254990.db2.gz JVPOVOVAROUVMT-STQMWFEESA-N 0 3 249.402 3.522 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNC2(C)CC=CC2)o1 ZINC000655813334 488009651 /nfs/dbraw/zinc/00/96/51/488009651.db2.gz CHUKRZOOWUPZRG-AAEUAGOBSA-N 0 3 231.339 3.601 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC2(C)CC=CC2)o1 ZINC000655813336 488009635 /nfs/dbraw/zinc/00/96/35/488009635.db2.gz CHUKRZOOWUPZRG-DGCLKSJQSA-N 0 3 231.339 3.601 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNC2(C)CC=CC2)o1 ZINC000655813337 488009906 /nfs/dbraw/zinc/00/99/06/488009906.db2.gz CHUKRZOOWUPZRG-WCQYABFASA-N 0 3 231.339 3.601 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC2(C)CC=CC2)o1 ZINC000655813338 488009924 /nfs/dbraw/zinc/00/99/24/488009924.db2.gz CHUKRZOOWUPZRG-YPMHNXCESA-N 0 3 231.339 3.601 20 0 BHADHN CC1(NCc2ccc(F)cc2Cl)CC=CC1 ZINC000655814010 411523533 /nfs/dbraw/zinc/52/35/33/411523533.db2.gz GKBDBGAEGBFQNX-UHFFFAOYSA-N 0 3 239.721 3.677 20 0 BHADHN CC1(NCc2cc(Cl)ccc2F)CC=CC1 ZINC000655814013 411523544 /nfs/dbraw/zinc/52/35/44/411523544.db2.gz GMIQCTKYZWAQBC-UHFFFAOYSA-N 0 3 239.721 3.677 20 0 BHADHN CC1(NCc2cscc2Cl)CC=CC1 ZINC000655814202 411524026 /nfs/dbraw/zinc/52/40/26/411524026.db2.gz JFOIKCIDJOVMER-UHFFFAOYSA-N 0 3 227.760 3.600 20 0 BHADHN CC1(NCc2ccc(Cl)cc2F)CC=CC1 ZINC000655814228 411523669 /nfs/dbraw/zinc/52/36/69/411523669.db2.gz JZKRMHORHBOYLY-UHFFFAOYSA-N 0 3 239.721 3.677 20 0 BHADHN CC1(NCc2cnc(C3CCC3)s2)CC=CC1 ZINC000655814295 411523589 /nfs/dbraw/zinc/52/35/89/411523589.db2.gz KWRFUWIGCHJQLU-UHFFFAOYSA-N 0 3 248.395 3.609 20 0 BHADHN CC1(NCc2cccc(Cl)c2F)CC=CC1 ZINC000655814888 411523768 /nfs/dbraw/zinc/52/37/68/411523768.db2.gz SLRUEYPEZZOZMC-UHFFFAOYSA-N 0 3 239.721 3.677 20 0 BHADHN CC1(NCc2ccccc2Cl)CC=CC1 ZINC000655815045 411523794 /nfs/dbraw/zinc/52/37/94/411523794.db2.gz UAHKUMJOLZGTNB-UHFFFAOYSA-N 0 3 221.731 3.538 20 0 BHADHN CC1(NCc2ccsc2Cl)CC=CC1 ZINC000655815155 411524073 /nfs/dbraw/zinc/52/40/73/411524073.db2.gz XFMQWFWYLMRKNP-UHFFFAOYSA-N 0 3 227.760 3.600 20 0 BHADHN CC1(NCc2sccc2Cl)CC=CC1 ZINC000655816056 411523622 /nfs/dbraw/zinc/52/36/22/411523622.db2.gz NJBHGJNRWSBNRQ-UHFFFAOYSA-N 0 3 227.760 3.600 20 0 BHADHN CCCC[C@@H](CC)NCc1noc2ccccc12 ZINC000655854796 411538386 /nfs/dbraw/zinc/53/83/86/411538386.db2.gz ZPEKFUSUFFKEJN-GFCCVEGCSA-N 0 3 246.354 3.886 20 0 BHADHN CCCC[C@H](CC)NCc1noc2ccccc12 ZINC000655854797 411537871 /nfs/dbraw/zinc/53/78/71/411537871.db2.gz ZPEKFUSUFFKEJN-LBPRGKRZSA-N 0 3 246.354 3.886 20 0 BHADHN CC[C@@H]1CCC[C@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265173 411220306 /nfs/dbraw/zinc/22/03/06/411220306.db2.gz AXEIQJASXYMPOQ-NEPJUHHUSA-N 0 3 243.341 3.544 20 0 BHADHN CC[C@H]1CCC[C@@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265174 411220461 /nfs/dbraw/zinc/22/04/61/411220461.db2.gz AXEIQJASXYMPOQ-NWDGAFQWSA-N 0 3 243.341 3.544 20 0 BHADHN CC[C@H]1CCC[C@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265175 411220631 /nfs/dbraw/zinc/22/06/31/411220631.db2.gz AXEIQJASXYMPOQ-RYUDHWBXSA-N 0 3 243.341 3.544 20 0 BHADHN CC[C@@H]1CCC[C@@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265176 411220406 /nfs/dbraw/zinc/22/04/06/411220406.db2.gz AXEIQJASXYMPOQ-VXGBXAGGSA-N 0 3 243.341 3.544 20 0 BHADHN FC1(F)CC12CN(CCCC1CCCCC1)C2 ZINC000656265294 411220187 /nfs/dbraw/zinc/22/01/87/411220187.db2.gz HNQMRNMCXUPKNN-UHFFFAOYSA-N 0 3 243.341 3.688 20 0 BHADHN CC1(C)CCC(CN2CC3(CC3(F)F)C2)CC1 ZINC000656265756 411221910 /nfs/dbraw/zinc/22/19/10/411221910.db2.gz HDEASVOPNAAHRK-UHFFFAOYSA-N 0 3 243.341 3.544 20 0 BHADHN FC1(F)CC12CN(CCC1CCCCCC1)C2 ZINC000656265763 411221087 /nfs/dbraw/zinc/22/10/87/411221087.db2.gz ZLYFWUSUFFIWJV-UHFFFAOYSA-N 0 3 243.341 3.688 20 0 BHADHN CC1(C)CCC[C@@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265924 411221205 /nfs/dbraw/zinc/22/12/05/411221205.db2.gz OHBOQOWXKXHNSO-LLVKDONJSA-N 0 3 243.341 3.544 20 0 BHADHN CC1(C)CCC[C@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265925 411221162 /nfs/dbraw/zinc/22/11/62/411221162.db2.gz OHBOQOWXKXHNSO-NSHDSACASA-N 0 3 243.341 3.544 20 0 BHADHN C[C@@H](NC1CC2(CCC2)C1)c1ccccc1F ZINC000656468843 411280912 /nfs/dbraw/zinc/28/09/12/411280912.db2.gz GMYHGQODLPWDPH-LLVKDONJSA-N 0 3 233.330 3.809 20 0 BHADHN C[C@H](NC1CC2(CCC2)C1)c1ccccc1F ZINC000656468844 411280872 /nfs/dbraw/zinc/28/08/72/411280872.db2.gz GMYHGQODLPWDPH-NSHDSACASA-N 0 3 233.330 3.809 20 0 BHADHN C[C@@H](NCCC(C)(C)F)c1ccc(F)cc1F ZINC000656684226 411326344 /nfs/dbraw/zinc/32/63/44/411326344.db2.gz BSRMNSSNABDCFJ-SECBINFHSA-N 0 3 245.288 3.754 20 0 BHADHN C[C@H](NCCC(C)(C)F)c1ccc(F)cc1F ZINC000656684227 411326340 /nfs/dbraw/zinc/32/63/40/411326340.db2.gz BSRMNSSNABDCFJ-VIFPVBQESA-N 0 3 245.288 3.754 20 0 BHADHN C[C@@H](NCCc1ccoc1)c1ccccc1Cl ZINC000656685183 411328274 /nfs/dbraw/zinc/32/82/74/411328274.db2.gz LXYUTNRQCDJECM-LLVKDONJSA-N 0 3 249.741 3.826 20 0 BHADHN C[C@H](NCCc1ccoc1)c1ccccc1Cl ZINC000656685184 411327811 /nfs/dbraw/zinc/32/78/11/411327811.db2.gz LXYUTNRQCDJECM-NSHDSACASA-N 0 3 249.741 3.826 20 0 BHADHN C[C@@H](NCCC(C)(C)F)c1cc(F)ccc1F ZINC000656685500 411328019 /nfs/dbraw/zinc/32/80/19/411328019.db2.gz SJZIKPIGWIPYFH-SECBINFHSA-N 0 3 245.288 3.754 20 0 BHADHN C[C@H](NCCC(C)(C)F)c1cc(F)ccc1F ZINC000656685501 411327837 /nfs/dbraw/zinc/32/78/37/411327837.db2.gz SJZIKPIGWIPYFH-VIFPVBQESA-N 0 3 245.288 3.754 20 0 BHADHN C[C@H](NCCC(C)(C)F)c1ccccc1F ZINC000656685644 411328090 /nfs/dbraw/zinc/32/80/90/411328090.db2.gz WYSOMOHNEMFKLK-JTQLQIEISA-N 0 3 227.298 3.615 20 0 BHADHN C[C@@H](NCCC(C)(C)F)c1ccccc1F ZINC000656685645 411328286 /nfs/dbraw/zinc/32/82/86/411328286.db2.gz WYSOMOHNEMFKLK-SNVBAGLBSA-N 0 3 227.298 3.615 20 0 BHADHN C[C@@H](NC[C@@]1(C)CC1(F)F)c1ccccc1F ZINC000656687005 411328737 /nfs/dbraw/zinc/32/87/37/411328737.db2.gz IWOOPSZFPBHKSA-BXKDBHETSA-N 0 3 243.272 3.522 20 0 BHADHN C[C@H](NC[C@]1(C)CC1(F)F)c1ccccc1F ZINC000656687006 411329107 /nfs/dbraw/zinc/32/91/07/411329107.db2.gz IWOOPSZFPBHKSA-CABZTGNLSA-N 0 3 243.272 3.522 20 0 BHADHN C[C@H](NC[C@@]1(C)CC1(F)F)c1ccccc1F ZINC000656687007 411328903 /nfs/dbraw/zinc/32/89/03/411328903.db2.gz IWOOPSZFPBHKSA-JOYOIKCWSA-N 0 3 243.272 3.522 20 0 BHADHN C[C@@H](NC[C@]1(C)CC1(F)F)c1ccccc1F ZINC000656687008 411329178 /nfs/dbraw/zinc/32/91/78/411329178.db2.gz IWOOPSZFPBHKSA-SKDRFNHKSA-N 0 3 243.272 3.522 20 0 BHADHN CC(C)C[C@H](C)CN1CC(CC(F)(F)F)C1 ZINC000656688429 411328757 /nfs/dbraw/zinc/32/87/57/411328757.db2.gz QGLOOEXLUXGYFC-JTQLQIEISA-N 0 3 237.309 3.553 20 0 BHADHN CC(C)C[C@@H](C)CN1CC(CC(F)(F)F)C1 ZINC000656688430 411329212 /nfs/dbraw/zinc/32/92/12/411329212.db2.gz QGLOOEXLUXGYFC-SNVBAGLBSA-N 0 3 237.309 3.553 20 0 BHADHN FC(F)(F)CC1CN(CCC2CCCCC2)C1 ZINC000656688763 411329468 /nfs/dbraw/zinc/32/94/68/411329468.db2.gz SJPPDUDDMIVACT-UHFFFAOYSA-N 0 3 249.320 3.841 20 0 BHADHN FC(F)C1CN(CCCC2CCCCC2)C1 ZINC000656689853 411330089 /nfs/dbraw/zinc/33/00/89/411330089.db2.gz BGSIZJQWGBMVSP-UHFFFAOYSA-N 0 3 231.330 3.544 20 0 BHADHN CC(C)=CCC[C@@H](C)CCN1CC(C(F)F)C1 ZINC000656691076 411330789 /nfs/dbraw/zinc/33/07/89/411330789.db2.gz VNSRZWAYVKJAKO-GFCCVEGCSA-N 0 3 245.357 3.956 20 0 BHADHN CC(C)=CCC[C@H](C)CCN1CC(C(F)F)C1 ZINC000656691077 411329830 /nfs/dbraw/zinc/32/98/30/411329830.db2.gz VNSRZWAYVKJAKO-LBPRGKRZSA-N 0 3 245.357 3.956 20 0 BHADHN FC(F)C1CN(CCC2CCCCCC2)C1 ZINC000656691571 411329847 /nfs/dbraw/zinc/32/98/47/411329847.db2.gz MZFUCJPDHBCDTL-UHFFFAOYSA-N 0 3 231.330 3.544 20 0 BHADHN C[C@@H](NC[C@@]1(C)CC1(F)F)c1cccc(F)c1 ZINC000656691965 411332069 /nfs/dbraw/zinc/33/20/69/411332069.db2.gz ZDPSLVSKIWDYJI-BXKDBHETSA-N 0 3 243.272 3.522 20 0 BHADHN C[C@H](NC[C@]1(C)CC1(F)F)c1cccc(F)c1 ZINC000656691967 411331196 /nfs/dbraw/zinc/33/11/96/411331196.db2.gz ZDPSLVSKIWDYJI-CABZTGNLSA-N 0 3 243.272 3.522 20 0 BHADHN C[C@H](NC[C@@]1(C)CC1(F)F)c1cccc(F)c1 ZINC000656691969 411331677 /nfs/dbraw/zinc/33/16/77/411331677.db2.gz ZDPSLVSKIWDYJI-JOYOIKCWSA-N 0 3 243.272 3.522 20 0 BHADHN C[C@@H](NC[C@]1(C)CC1(F)F)c1cccc(F)c1 ZINC000656691971 411331287 /nfs/dbraw/zinc/33/12/87/411331287.db2.gz ZDPSLVSKIWDYJI-SKDRFNHKSA-N 0 3 243.272 3.522 20 0 BHADHN CCCc1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000656693616 411331523 /nfs/dbraw/zinc/33/15/23/411331523.db2.gz MRDAOYRISVHBSX-UHFFFAOYSA-N 0 3 247.357 3.573 20 0 BHADHN Cc1cc(C)c(CN2CC3(CC(F)C3)C2)cc1C ZINC000656694021 411332043 /nfs/dbraw/zinc/33/20/43/411332043.db2.gz XQQYYYSVULCQDF-UHFFFAOYSA-N 0 3 247.357 3.546 20 0 BHADHN CC(C)c1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000656694215 411333059 /nfs/dbraw/zinc/33/30/59/411333059.db2.gz MUNMXFCCFWDDLA-UHFFFAOYSA-N 0 3 247.357 3.744 20 0 BHADHN C[C@H](CCN1CC2(CC(F)C2)C1)c1ccccc1 ZINC000656695267 411332667 /nfs/dbraw/zinc/33/26/67/411332667.db2.gz DRBQPRPBFSJQDN-CYBMUJFWSA-N 0 3 247.357 3.614 20 0 BHADHN C[C@@H](CCN1CC2(CC(F)C2)C1)c1ccccc1 ZINC000656695268 411332609 /nfs/dbraw/zinc/33/26/09/411332609.db2.gz DRBQPRPBFSJQDN-ZDUSSCGKSA-N 0 3 247.357 3.614 20 0 BHADHN CC[C@H](CN1CC2(CC(F)C2)C1)c1ccccc1 ZINC000656695593 411332723 /nfs/dbraw/zinc/33/27/23/411332723.db2.gz OJYJFUQUKRCBIX-CYBMUJFWSA-N 0 3 247.357 3.614 20 0 BHADHN CC[C@@H](CN1CC2(CC(F)C2)C1)c1ccccc1 ZINC000656695594 411332895 /nfs/dbraw/zinc/33/28/95/411332895.db2.gz OJYJFUQUKRCBIX-ZDUSSCGKSA-N 0 3 247.357 3.614 20 0 BHADHN CCCc1cccc(CN2CC3(CC(F)C3)C2)c1 ZINC000656695807 411332865 /nfs/dbraw/zinc/33/28/65/411332865.db2.gz SSLVSJNNOXQGTI-UHFFFAOYSA-N 0 3 247.357 3.573 20 0 BHADHN CCC1(C)CN(Cc2ccc(C(F)F)cc2)C1 ZINC000656807588 411374911 /nfs/dbraw/zinc/37/49/11/411374911.db2.gz ZHGUMKPXNQXKPO-UHFFFAOYSA-N 0 3 239.309 3.856 20 0 BHADHN CC(C)(C)C1CN(Cc2cc3ccccc3[nH]2)C1 ZINC000656834248 411377801 /nfs/dbraw/zinc/37/78/01/411377801.db2.gz XFIKHSJQSQBSRW-UHFFFAOYSA-N 0 3 242.366 3.646 20 0 BHADHN CN(Cc1cc2ccccc2[nH]1)C1CC(C)(C)C1 ZINC000657193451 411416940 /nfs/dbraw/zinc/41/69/40/411416940.db2.gz GSGCXVRTYJGPFF-UHFFFAOYSA-N 0 3 242.366 3.788 20 0 BHADHN Clc1cscc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000657233435 411424058 /nfs/dbraw/zinc/42/40/58/411424058.db2.gz INJLBFOSIIKVCB-QRTLGDNMSA-N 0 3 241.787 3.680 20 0 BHADHN C[C@@]1(NCc2cscc2Cl)CC=CCC1 ZINC000657251163 411433953 /nfs/dbraw/zinc/43/39/53/411433953.db2.gz MUIRWIMCQXHTIY-GFCCVEGCSA-N 0 3 241.787 3.990 20 0 BHADHN C[C@]1(NCc2cscc2Cl)CC=CCC1 ZINC000657251164 411434131 /nfs/dbraw/zinc/43/41/31/411434131.db2.gz MUIRWIMCQXHTIY-LBPRGKRZSA-N 0 3 241.787 3.990 20 0 BHADHN CC(C)n1ccnc1CNCCCC1CCCC1 ZINC000657299011 411455100 /nfs/dbraw/zinc/45/51/00/411455100.db2.gz RLNDLSNRODZJTF-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN CC(C)n1ccnc1CNCCC1CCCCC1 ZINC000657300045 411455371 /nfs/dbraw/zinc/45/53/71/411455371.db2.gz GPDVJNPKVRYHTR-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN Clc1ccc2c(c1)CN(C1CCCC1)C2 ZINC000657309400 411459202 /nfs/dbraw/zinc/45/92/02/411459202.db2.gz XZACBUQEPKTCKW-UHFFFAOYSA-N 0 3 221.731 3.598 20 0 BHADHN CCCCC1CCC(NCc2nc(C)c[nH]2)CC1 ZINC000657328675 411467610 /nfs/dbraw/zinc/46/76/10/411467610.db2.gz ANRONVJDSKKVQJ-UHFFFAOYSA-N 0 3 249.402 3.557 20 0 BHADHN CCC[C@H](NCc1nc(C)c[nH]1)C1CCCCC1 ZINC000657345217 411470860 /nfs/dbraw/zinc/47/08/60/411470860.db2.gz KWSBUMNHPDSPBL-AWEZNQCLSA-N 0 3 249.402 3.557 20 0 BHADHN CCC[C@@H](NCc1nc(C)c[nH]1)C1CCCCC1 ZINC000657345218 411470289 /nfs/dbraw/zinc/47/02/89/411470289.db2.gz KWSBUMNHPDSPBL-CQSZACIVSA-N 0 3 249.402 3.557 20 0 BHADHN CC1(NCc2ccc(F)c(F)c2F)CCCC1 ZINC000657345873 411470979 /nfs/dbraw/zinc/47/09/79/411470979.db2.gz SQKZEIFOSQKBJZ-UHFFFAOYSA-N 0 3 243.272 3.526 20 0 BHADHN CC[C@@H]1C[C@H](N[C@@H](C)c2cc(C)cc(C)c2)CO1 ZINC000657354301 411474159 /nfs/dbraw/zinc/47/41/59/411474159.db2.gz RVTMREAPAPWSNU-CWRNSKLLSA-N 0 3 247.382 3.522 20 0 BHADHN CC[C@@H]1C[C@@H](N[C@H](C)c2cc(C)cc(C)c2)CO1 ZINC000657354302 411474103 /nfs/dbraw/zinc/47/41/03/411474103.db2.gz RVTMREAPAPWSNU-FVQBIDKESA-N 0 3 247.382 3.522 20 0 BHADHN CC[C@@H]1C[C@@H](N[C@@H](C)c2cc(C)cc(C)c2)CO1 ZINC000657354303 411474262 /nfs/dbraw/zinc/47/42/62/411474262.db2.gz RVTMREAPAPWSNU-NUEKZKHPSA-N 0 3 247.382 3.522 20 0 BHADHN CC[C@@H]1C[C@H](N[C@H](C)c2cc(C)cc(C)c2)CO1 ZINC000657354304 411474181 /nfs/dbraw/zinc/47/41/81/411474181.db2.gz RVTMREAPAPWSNU-VNQPRFMTSA-N 0 3 247.382 3.522 20 0 BHADHN CC(C)C(C)(C)NCc1ccc(F)c(F)c1F ZINC000657355844 411478501 /nfs/dbraw/zinc/47/85/01/411478501.db2.gz BFMNHXKYZCNVGT-UHFFFAOYSA-N 0 3 245.288 3.628 20 0 BHADHN CC(C)n1ccnc1CNC1(C)CCC(C)CC1 ZINC000657356851 411478589 /nfs/dbraw/zinc/47/85/89/411478589.db2.gz TVFNHTRIOOBDTF-UHFFFAOYSA-N 0 3 249.402 3.522 20 0 BHADHN Cc1c[nH]c(CN[C@H](C)CCC2CCCCC2)n1 ZINC000657362592 411480627 /nfs/dbraw/zinc/48/06/27/411480627.db2.gz DRTJWOZQBDWRJZ-GFCCVEGCSA-N 0 3 249.402 3.557 20 0 BHADHN Cc1c[nH]c(CN[C@@H](C)CCC2CCCCC2)n1 ZINC000657362594 411480718 /nfs/dbraw/zinc/48/07/18/411480718.db2.gz DRTJWOZQBDWRJZ-LBPRGKRZSA-N 0 3 249.402 3.557 20 0 BHADHN CC[C@H]1CCC[C@H](NCc2nccn2C(C)C)C1 ZINC000657372964 411486432 /nfs/dbraw/zinc/48/64/32/411486432.db2.gz MWJPUEJGJMORLF-KBPBESRZSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H]1CCC[C@H](NCc2nccn2C(C)C)C1 ZINC000657372965 411485890 /nfs/dbraw/zinc/48/58/90/411485890.db2.gz MWJPUEJGJMORLF-KGLIPLIRSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@H]1CCC[C@@H](NCc2nccn2C(C)C)C1 ZINC000657372966 411485474 /nfs/dbraw/zinc/48/54/74/411485474.db2.gz MWJPUEJGJMORLF-UONOGXRCSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H]1CCC[C@@H](NCc2nccn2C(C)C)C1 ZINC000657372967 411485488 /nfs/dbraw/zinc/48/54/88/411485488.db2.gz MWJPUEJGJMORLF-ZIAGYGMSSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccnc1CNC1CCC(C)(C)CC1 ZINC000657374474 411482355 /nfs/dbraw/zinc/48/23/55/411482355.db2.gz LUIKJKYNJCKMPH-UHFFFAOYSA-N 0 3 249.402 3.522 20 0 BHADHN CCC1(NCc2ccc(F)c(F)c2F)CCC1 ZINC000657383655 411489033 /nfs/dbraw/zinc/48/90/33/411489033.db2.gz LIUXHVUXSJXQJP-UHFFFAOYSA-N 0 3 243.272 3.526 20 0 BHADHN CC(C)n1ccnc1CNCC1(C)CCCCC1 ZINC000657394657 411493657 /nfs/dbraw/zinc/49/36/57/411493657.db2.gz LUVNACVBDAPAGC-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC1(CNCc2nccn2C(C)C)CCC1 ZINC000657394775 411494213 /nfs/dbraw/zinc/49/42/13/411494213.db2.gz UKOSKSFOENEQGY-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN CCC1(CNCc2nccn2C(C)C)CCCC1 ZINC000657396860 411493980 /nfs/dbraw/zinc/49/39/80/411493980.db2.gz DBKKKANQDRAFHT-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN CC(C)n1ccnc1CN[C@H]1CCC[C@H](C)CC1 ZINC000657441583 411511634 /nfs/dbraw/zinc/51/16/34/411511634.db2.gz BFPWESKLOYORMB-KBPBESRZSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccnc1CN[C@H]1CCC[C@@H](C)CC1 ZINC000657441584 411511894 /nfs/dbraw/zinc/51/18/94/411511894.db2.gz BFPWESKLOYORMB-KGLIPLIRSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccnc1CN[C@@H]1CCC[C@H](C)CC1 ZINC000657441585 411511324 /nfs/dbraw/zinc/51/13/24/411511324.db2.gz BFPWESKLOYORMB-UONOGXRCSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccnc1CN[C@@H]1CCC[C@@H](C)CC1 ZINC000657441586 411511460 /nfs/dbraw/zinc/51/14/60/411511460.db2.gz BFPWESKLOYORMB-ZIAGYGMSSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccnc1CN[C@@H]1CCCC(C)(C)C1 ZINC000657441943 411511306 /nfs/dbraw/zinc/51/13/06/411511306.db2.gz KMGPDELLOBYOEK-CYBMUJFWSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)n1ccnc1CN[C@H]1CCCC(C)(C)C1 ZINC000657441945 411511375 /nfs/dbraw/zinc/51/13/75/411511375.db2.gz KMGPDELLOBYOEK-ZDUSSCGKSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)=CCCNCc1ccc(F)c(F)c1F ZINC000657446710 411513925 /nfs/dbraw/zinc/51/39/25/411513925.db2.gz FWSMZKIXUWADKZ-UHFFFAOYSA-N 0 3 243.272 3.550 20 0 BHADHN CCC1(CC)CCC(NCc2nc(C)c[nH]2)CC1 ZINC000657447565 411513693 /nfs/dbraw/zinc/51/36/93/411513693.db2.gz YZMKQPCDHDNIIT-UHFFFAOYSA-N 0 3 249.402 3.557 20 0 BHADHN CC(C)=CCNCc1cc2ccc(C)cc2[nH]1 ZINC000657448053 411513566 /nfs/dbraw/zinc/51/35/66/411513566.db2.gz NXMSDVWJJJJDLU-UHFFFAOYSA-N 0 3 228.339 3.532 20 0 BHADHN CC(C)=CCNCc1cc2c(cccc2C)[nH]1 ZINC000657448587 411509941 /nfs/dbraw/zinc/50/99/41/411509941.db2.gz SNNCNNSXEPYDSW-UHFFFAOYSA-N 0 3 228.339 3.532 20 0 BHADHN CC[C@H]1CC[C@H](NCc2nccn2C(C)C)CC1 ZINC000657473562 411523412 /nfs/dbraw/zinc/52/34/12/411523412.db2.gz NASBAROZHQGEMF-HDJSIYSDSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1nccn1C(C)C ZINC000657478538 411526072 /nfs/dbraw/zinc/52/60/72/411526072.db2.gz LOGMUCGZHRZRRS-AWEZNQCLSA-N 0 3 249.402 3.689 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1nccn1C(C)C ZINC000657478540 411525932 /nfs/dbraw/zinc/52/59/32/411525932.db2.gz LOGMUCGZHRZRRS-CQSZACIVSA-N 0 3 249.402 3.689 20 0 BHADHN CC/C=C\CNCc1cc2ccc(C)cc2[nH]1 ZINC000657480017 411528087 /nfs/dbraw/zinc/52/80/87/411528087.db2.gz POKQQDOYYVAQEU-PLNGDYQASA-N 0 3 228.339 3.532 20 0 BHADHN CC/C=C/CNCc1cc2ccc(C)cc2[nH]1 ZINC000657480019 411528020 /nfs/dbraw/zinc/52/80/20/411528020.db2.gz POKQQDOYYVAQEU-SNAWJCMRSA-N 0 3 228.339 3.532 20 0 BHADHN CC/C=C\CNCc1cc2c(cccc2C)[nH]1 ZINC000657480397 411527672 /nfs/dbraw/zinc/52/76/72/411527672.db2.gz XDEBOTWWMWEXPQ-PLNGDYQASA-N 0 3 228.339 3.532 20 0 BHADHN CC/C=C/CNCc1cc2c(cccc2C)[nH]1 ZINC000657480398 411527904 /nfs/dbraw/zinc/52/79/04/411527904.db2.gz XDEBOTWWMWEXPQ-SNAWJCMRSA-N 0 3 228.339 3.532 20 0 BHADHN CC(C)n1ccnc1CNCC1CCCCCC1 ZINC000657481073 411526833 /nfs/dbraw/zinc/52/68/33/411526833.db2.gz ITQGPYKTVOYDGT-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN CC[C@H](NCc1nccn1C(C)C)C1CCCC1 ZINC000657484110 411529307 /nfs/dbraw/zinc/52/93/07/411529307.db2.gz CTBVAIRWYUWFDV-AWEZNQCLSA-N 0 3 249.402 3.522 20 0 BHADHN CC[C@@H](NCc1nccn1C(C)C)C1CCCC1 ZINC000657484111 411528997 /nfs/dbraw/zinc/52/89/97/411528997.db2.gz CTBVAIRWYUWFDV-CQSZACIVSA-N 0 3 249.402 3.522 20 0 BHADHN CCC1(NCc2nccn2C(C)C)CCCCC1 ZINC000657484214 411529130 /nfs/dbraw/zinc/52/91/30/411529130.db2.gz XCZWRDRJYPDPML-UHFFFAOYSA-N 0 3 249.402 3.667 20 0 BHADHN CCc1cccc2cc(CN[C@H]3CC34CC4)oc21 ZINC000657495713 411535531 /nfs/dbraw/zinc/53/55/31/411535531.db2.gz KLCILEVXLFONBG-AWEZNQCLSA-N 0 3 241.334 3.637 20 0 BHADHN CCc1cccc2cc(CN[C@@H]3CC34CC4)oc21 ZINC000657495714 411535483 /nfs/dbraw/zinc/53/54/83/411535483.db2.gz KLCILEVXLFONBG-CQSZACIVSA-N 0 3 241.334 3.637 20 0 BHADHN C[C@@H](NCc1ccc(F)c(F)c1F)C(C)(C)C ZINC000657502158 411538528 /nfs/dbraw/zinc/53/85/28/411538528.db2.gz GJWQUDCESRSKEJ-MRVPVSSYSA-N 0 3 245.288 3.628 20 0 BHADHN CC[C@@H](Cc1ccc(F)cc1)NCc1ccco1 ZINC000657548276 411546132 /nfs/dbraw/zinc/54/61/32/411546132.db2.gz UTYNZSQVVGPGHR-AWEZNQCLSA-N 0 3 247.313 3.530 20 0 BHADHN CC[C@H](Cc1ccc(F)cc1)NCc1ccco1 ZINC000657548277 411546039 /nfs/dbraw/zinc/54/60/39/411546039.db2.gz UTYNZSQVVGPGHR-CQSZACIVSA-N 0 3 247.313 3.530 20 0 BHADHN Fc1ccc2oc(CN[C@]34C[C@H]3CCC4)cc2c1 ZINC000657549582 411546688 /nfs/dbraw/zinc/54/66/88/411546688.db2.gz DPAOGYZZPBQREN-IAQYHMDHSA-N 0 3 245.297 3.604 20 0 BHADHN Fc1ccc2oc(CN[C@@]34C[C@@H]3CCC4)cc2c1 ZINC000657549583 411546753 /nfs/dbraw/zinc/54/67/53/411546753.db2.gz DPAOGYZZPBQREN-NHYWBVRUSA-N 0 3 245.297 3.604 20 0 BHADHN Fc1cc(Cl)ccc1CN[C@@]12C[C@@H]1CCC2 ZINC000657550699 411551833 /nfs/dbraw/zinc/55/18/33/411551833.db2.gz FHMFFKALFDPVFM-GWCFXTLKSA-N 0 3 239.721 3.511 20 0 BHADHN Fc1cc(Cl)ccc1CN[C@]12C[C@H]1CCC2 ZINC000657550707 411551840 /nfs/dbraw/zinc/55/18/40/411551840.db2.gz FHMFFKALFDPVFM-ZWNOBZJWSA-N 0 3 239.721 3.511 20 0 BHADHN Fc1ccc(CN[C@@]23C[C@@H]2CCC3)c(Cl)c1 ZINC000657551517 411547862 /nfs/dbraw/zinc/54/78/62/411547862.db2.gz OLRVJLJCLQHVFD-GWCFXTLKSA-N 0 3 239.721 3.511 20 0 BHADHN Fc1ccc(CN[C@]23C[C@H]2CCC3)c(Cl)c1 ZINC000657551520 411547834 /nfs/dbraw/zinc/54/78/34/411547834.db2.gz OLRVJLJCLQHVFD-ZWNOBZJWSA-N 0 3 239.721 3.511 20 0 BHADHN Fc1ccc(Cl)cc1CN[C@@]12C[C@@H]1CCC2 ZINC000657552018 411548037 /nfs/dbraw/zinc/54/80/37/411548037.db2.gz QFUVNEUVUCKMMJ-GWCFXTLKSA-N 0 3 239.721 3.511 20 0 BHADHN Fc1ccc(Cl)cc1CN[C@]12C[C@H]1CCC2 ZINC000657552024 411548423 /nfs/dbraw/zinc/54/84/23/411548423.db2.gz QFUVNEUVUCKMMJ-ZWNOBZJWSA-N 0 3 239.721 3.511 20 0 BHADHN Fc1c(Cl)cccc1CN[C@@]12C[C@@H]1CCC2 ZINC000657552097 411548104 /nfs/dbraw/zinc/54/81/04/411548104.db2.gz QUOKTJCHNZIYMA-GWCFXTLKSA-N 0 3 239.721 3.511 20 0 BHADHN Fc1c(Cl)cccc1CN[C@]12C[C@H]1CCC2 ZINC000657552103 411548266 /nfs/dbraw/zinc/54/82/66/411548266.db2.gz QUOKTJCHNZIYMA-ZWNOBZJWSA-N 0 3 239.721 3.511 20 0 BHADHN Fc1cc(Cl)cc(CN[C@@]23C[C@@H]2CCC3)c1 ZINC000657552965 411548543 /nfs/dbraw/zinc/54/85/43/411548543.db2.gz QYVLFIDKNKCYJP-GWCFXTLKSA-N 0 3 239.721 3.511 20 0 BHADHN Fc1cc(Cl)cc(CN[C@]23C[C@H]2CCC3)c1 ZINC000657552969 411548835 /nfs/dbraw/zinc/54/88/35/411548835.db2.gz QYVLFIDKNKCYJP-ZWNOBZJWSA-N 0 3 239.721 3.511 20 0 BHADHN Cc1ccc(CN[C@@]23C[C@@H]2CCC3)c(Cl)c1 ZINC000657554468 411549270 /nfs/dbraw/zinc/54/92/70/411549270.db2.gz ZSEXIVIQUYYEKF-JSGCOSHPSA-N 0 3 235.758 3.681 20 0 BHADHN Cc1ccc(CN[C@]23C[C@H]2CCC3)c(Cl)c1 ZINC000657554470 411549171 /nfs/dbraw/zinc/54/91/71/411549171.db2.gz ZSEXIVIQUYYEKF-TZMCWYRMSA-N 0 3 235.758 3.681 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1ccc(C)o1 ZINC000657578945 411553950 /nfs/dbraw/zinc/55/39/50/411553950.db2.gz NYCKLKCRPXIMLG-LLVKDONJSA-N 0 3 209.333 3.502 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1ccc(C)o1 ZINC000657578946 411553732 /nfs/dbraw/zinc/55/37/32/411553732.db2.gz NYCKLKCRPXIMLG-NSHDSACASA-N 0 3 209.333 3.502 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1ncc(Cl)s1 ZINC000657580812 411554743 /nfs/dbraw/zinc/55/47/43/411554743.db2.gz YEBDQXHVVTYAIF-MRVPVSSYSA-N 0 3 246.807 3.711 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1ncc(Cl)s1 ZINC000657580813 411554398 /nfs/dbraw/zinc/55/43/98/411554398.db2.gz YEBDQXHVVTYAIF-QMMMGPOBSA-N 0 3 246.807 3.711 20 0 BHADHN CC[C@@H](C)CCNCc1ncc(C(C)C)s1 ZINC000657586540 411557321 /nfs/dbraw/zinc/55/73/21/411557321.db2.gz KAACNSRALZDAJZ-LLVKDONJSA-N 0 3 240.416 3.792 20 0 BHADHN CC[C@H](C)CCNCc1ncc(C(C)C)s1 ZINC000657586541 411557292 /nfs/dbraw/zinc/55/72/92/411557292.db2.gz KAACNSRALZDAJZ-NSHDSACASA-N 0 3 240.416 3.792 20 0 BHADHN CC[C@H](C)CCNCc1csc(C2CC2)n1 ZINC000657586910 411558065 /nfs/dbraw/zinc/55/80/65/411558065.db2.gz NLICRTMFHGTAPO-JTQLQIEISA-N 0 3 238.400 3.546 20 0 BHADHN CC[C@@H](C)CCNCc1csc(C2CC2)n1 ZINC000657586911 411558088 /nfs/dbraw/zinc/55/80/88/411558088.db2.gz NLICRTMFHGTAPO-SNVBAGLBSA-N 0 3 238.400 3.546 20 0 BHADHN CC(C)[C@H](NCc1cc[nH]c1)c1ccccc1F ZINC000657614574 411563680 /nfs/dbraw/zinc/56/36/80/411563680.db2.gz GBDPNUSOZSVVKF-HNNXBMFYSA-N 0 3 246.329 3.641 20 0 BHADHN CC(C)[C@@H](NCc1cc[nH]c1)c1ccccc1F ZINC000657614575 411563871 /nfs/dbraw/zinc/56/38/71/411563871.db2.gz GBDPNUSOZSVVKF-OAHLLOKOSA-N 0 3 246.329 3.641 20 0 BHADHN Cc1sccc1CNCc1cc(C)cc(C)c1 ZINC000657625776 411565766 /nfs/dbraw/zinc/56/57/66/411565766.db2.gz GMBQMMFMBVEXGW-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNCCC(C)(C)F)o1 ZINC000657644242 411568426 /nfs/dbraw/zinc/56/84/26/411568426.db2.gz BHFDXUULBWRZJK-CMPLNLGQSA-N 0 3 239.334 3.631 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNCCC(C)(C)F)o1 ZINC000657644243 411568125 /nfs/dbraw/zinc/56/81/25/411568125.db2.gz BHFDXUULBWRZJK-JQWIXIFHSA-N 0 3 239.334 3.631 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNCCC(C)(C)F)o1 ZINC000657644244 411568115 /nfs/dbraw/zinc/56/81/15/411568115.db2.gz BHFDXUULBWRZJK-PWSUYJOCSA-N 0 3 239.334 3.631 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNCCC(C)(C)F)o1 ZINC000657644245 411568073 /nfs/dbraw/zinc/56/80/73/411568073.db2.gz BHFDXUULBWRZJK-ZYHUDNBSSA-N 0 3 239.334 3.631 20 0 BHADHN CC(C)(F)CCNCc1ccccc1Cl ZINC000657644415 411568409 /nfs/dbraw/zinc/56/84/09/411568409.db2.gz JANHKUSZLHYZRN-UHFFFAOYSA-N 0 3 229.726 3.568 20 0 BHADHN CC(C)(F)CCNCc1cc2ccccc2o1 ZINC000657644480 411568390 /nfs/dbraw/zinc/56/83/90/411568390.db2.gz LIYSVCZRVSRTTH-UHFFFAOYSA-N 0 3 235.302 3.661 20 0 BHADHN CC(C)(F)CCNCc1ccc(Cl)c(F)c1 ZINC000657644684 411568335 /nfs/dbraw/zinc/56/83/35/411568335.db2.gz SQOKDXATSUWRKE-UHFFFAOYSA-N 0 3 247.716 3.707 20 0 BHADHN CC(C)(F)CCNCc1c(F)cccc1Cl ZINC000657644685 411568403 /nfs/dbraw/zinc/56/84/03/411568403.db2.gz SQYNEDILQKHCPO-UHFFFAOYSA-N 0 3 247.716 3.707 20 0 BHADHN CC(C)(F)CCNCc1cscc1Cl ZINC000657644751 411568355 /nfs/dbraw/zinc/56/83/55/411568355.db2.gz CFQRDSUDPVEEGN-UHFFFAOYSA-N 0 3 235.755 3.629 20 0 BHADHN CC(C)(F)CCNCc1ccsc1Cl ZINC000657644810 411569150 /nfs/dbraw/zinc/56/91/50/411569150.db2.gz FFDQLRQZKTWQCB-UHFFFAOYSA-N 0 3 235.755 3.629 20 0 BHADHN CC(C)(F)CCNCc1ccc(F)cc1Cl ZINC000657645233 411568829 /nfs/dbraw/zinc/56/88/29/411568829.db2.gz OLMHZHPFMDUFLW-UHFFFAOYSA-N 0 3 247.716 3.707 20 0 BHADHN CC(C)(F)CCNCc1cc(Cl)ccc1F ZINC000657645270 411569084 /nfs/dbraw/zinc/56/90/84/411569084.db2.gz QARBEAJXCQKIRW-UHFFFAOYSA-N 0 3 247.716 3.707 20 0 BHADHN CC(C)(F)CCNCc1sccc1Cl ZINC000657645316 411568574 /nfs/dbraw/zinc/56/85/74/411568574.db2.gz RRCOJSJJXZMSSZ-UHFFFAOYSA-N 0 3 235.755 3.629 20 0 BHADHN CC(C)(F)CCNCc1cccc(Cl)c1F ZINC000657645420 411569103 /nfs/dbraw/zinc/56/91/03/411569103.db2.gz VMHZXFDUUJEYDV-UHFFFAOYSA-N 0 3 247.716 3.707 20 0 BHADHN CC(C)(F)CCNCc1ccc(Cl)cc1F ZINC000657645430 411568890 /nfs/dbraw/zinc/56/88/90/411568890.db2.gz VVKVKNBWZGQNBV-UHFFFAOYSA-N 0 3 247.716 3.707 20 0 BHADHN CC(C)(F)CCNCc1cc(F)cc(Cl)c1 ZINC000657645451 411569018 /nfs/dbraw/zinc/56/90/18/411569018.db2.gz XAAAMTWAOTZWEZ-UHFFFAOYSA-N 0 3 247.716 3.707 20 0 BHADHN Cc1cc(F)c(CNCCC(C)(C)F)c(F)c1 ZINC000657646238 411569584 /nfs/dbraw/zinc/56/95/84/411569584.db2.gz ZNBAAJJJIYWDMK-UHFFFAOYSA-N 0 3 245.288 3.501 20 0 BHADHN Cc1ccc(CNCCc2ccoc2)c(Cl)c1 ZINC000657654680 411571295 /nfs/dbraw/zinc/57/12/95/411571295.db2.gz YERGELHJZHAZSO-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN Clc1ccc(CNCCCC2CCC2)o1 ZINC000657664343 411577220 /nfs/dbraw/zinc/57/72/20/411577220.db2.gz HCBMVUCHNPOTNU-UHFFFAOYSA-N 0 3 227.735 3.603 20 0 BHADHN CC[C@@H](NCc1cscc1Cl)C1CC1 ZINC000657679833 411580652 /nfs/dbraw/zinc/58/06/52/411580652.db2.gz FVPCEFOAEKJTEM-LLVKDONJSA-N 0 3 229.776 3.680 20 0 BHADHN CC[C@H](NCc1cscc1Cl)C1CC1 ZINC000657679835 411580457 /nfs/dbraw/zinc/58/04/57/411580457.db2.gz FVPCEFOAEKJTEM-NSHDSACASA-N 0 3 229.776 3.680 20 0 BHADHN CC[C@@H](NCc1ncc(C(C)C)s1)C1CC1 ZINC000657680733 411580772 /nfs/dbraw/zinc/58/07/72/411580772.db2.gz LXDQGNHFTDCOPU-LLVKDONJSA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@H](NCc1ncc(C(C)C)s1)C1CC1 ZINC000657680735 411580399 /nfs/dbraw/zinc/58/03/99/411580399.db2.gz LXDQGNHFTDCOPU-NSHDSACASA-N 0 3 238.400 3.545 20 0 BHADHN CC[C@](C)(NCc1cccc(F)c1F)C1CC1 ZINC000657689051 411579192 /nfs/dbraw/zinc/57/91/92/411579192.db2.gz NCBIIQIWPFHENO-AWEZNQCLSA-N 0 3 239.309 3.633 20 0 BHADHN CC[C@@](C)(NCc1cccc(F)c1F)C1CC1 ZINC000657689053 411579250 /nfs/dbraw/zinc/57/92/50/411579250.db2.gz NCBIIQIWPFHENO-CQSZACIVSA-N 0 3 239.309 3.633 20 0 BHADHN CC[C@@](C)(NCc1ccc(Cl)o1)C1CC1 ZINC000657690053 411579382 /nfs/dbraw/zinc/57/93/82/411579382.db2.gz RWMRAHOGYMAFAJ-GFCCVEGCSA-N 0 3 227.735 3.601 20 0 BHADHN CC[C@](C)(NCc1ccc(Cl)o1)C1CC1 ZINC000657690056 411578953 /nfs/dbraw/zinc/57/89/53/411578953.db2.gz RWMRAHOGYMAFAJ-LBPRGKRZSA-N 0 3 227.735 3.601 20 0 BHADHN Cc1ccc(CN[C@@H]2CC[C@@H]2c2ccccc2)o1 ZINC000657713393 411586766 /nfs/dbraw/zinc/58/67/66/411586766.db2.gz FWHFXYSDXHIIDC-HZPDHXFCSA-N 0 3 241.334 3.624 20 0 BHADHN Cc1ccoc1CN[C@@H]1CC[C@@H]1c1ccccc1 ZINC000657713905 411582516 /nfs/dbraw/zinc/58/25/16/411582516.db2.gz LNZBUIAPQZRDSS-HUUCEWRRSA-N 0 3 241.334 3.624 20 0 BHADHN Cc1occc1CN[C@@H]1CC[C@@H]1c1ccccc1 ZINC000657716835 411586933 /nfs/dbraw/zinc/58/69/33/411586933.db2.gz VKJLVBPMKJAXPM-HZPDHXFCSA-N 0 3 241.334 3.624 20 0 BHADHN c1c2ccccc2oc1CNCC1=CCCC1 ZINC000657748313 411592599 /nfs/dbraw/zinc/59/25/99/411592599.db2.gz GXQAKUPDMPEVDZ-UHFFFAOYSA-N 0 3 227.307 3.633 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNCC2=CCCC2)o1 ZINC000657748647 411592019 /nfs/dbraw/zinc/59/20/19/411592019.db2.gz JXLSODDUKOVEJP-BXUZGUMPSA-N 0 3 231.339 3.603 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNCC2=CCCC2)o1 ZINC000657748648 411592381 /nfs/dbraw/zinc/59/23/81/411592381.db2.gz JXLSODDUKOVEJP-FZMZJTMJSA-N 0 3 231.339 3.603 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNCC2=CCCC2)o1 ZINC000657748649 411592223 /nfs/dbraw/zinc/59/22/23/411592223.db2.gz JXLSODDUKOVEJP-RISCZKNCSA-N 0 3 231.339 3.603 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNCC2=CCCC2)o1 ZINC000657748650 411592147 /nfs/dbraw/zinc/59/21/47/411592147.db2.gz JXLSODDUKOVEJP-SMDDNHRTSA-N 0 3 231.339 3.603 20 0 BHADHN CSc1ccc(CNCC2=CCCC2)cc1 ZINC000657749345 491102943 /nfs/dbraw/zinc/10/29/43/491102943.db2.gz WDESODKDSNQQOQ-UHFFFAOYSA-N 0 3 233.380 3.608 20 0 BHADHN Cc1ccc2cc(CNCC3=CCCC3)[nH]c2c1 ZINC000657749471 411592142 /nfs/dbraw/zinc/59/21/42/411592142.db2.gz DZLXNDGNMRCJMR-UHFFFAOYSA-N 0 3 240.350 3.676 20 0 BHADHN Fc1ccc(/C=C\CNCC2=CCCC2)c(F)c1 ZINC000657749512 411592016 /nfs/dbraw/zinc/59/20/16/411592016.db2.gz FXWJRWOLYQCFGV-UTCJRWHESA-N 0 3 249.304 3.678 20 0 BHADHN Fc1ccc(/C=C/CNCC2=CCCC2)c(F)c1 ZINC000657749513 411592562 /nfs/dbraw/zinc/59/25/62/411592562.db2.gz FXWJRWOLYQCFGV-ZZXKWVIFSA-N 0 3 249.304 3.678 20 0 BHADHN Cc1cccc2[nH]c(CNCC3=CCCC3)cc21 ZINC000657749624 411591932 /nfs/dbraw/zinc/59/19/32/411591932.db2.gz HIWMQYLUOGUKIJ-UHFFFAOYSA-N 0 3 240.350 3.676 20 0 BHADHN c1nc(C2CCC2)sc1CNCC1=CCCC1 ZINC000657749628 411592341 /nfs/dbraw/zinc/59/23/41/411592341.db2.gz HNBVOBBIQOSYGO-UHFFFAOYSA-N 0 3 248.395 3.611 20 0 BHADHN CSc1ccc(CNCC2=CCCC2)s1 ZINC000657749653 411592066 /nfs/dbraw/zinc/59/20/66/411592066.db2.gz IGPQZPDRRYSXKV-UHFFFAOYSA-N 0 3 239.409 3.670 20 0 BHADHN FC(F)c1ccc(CNCC2=CCCC2)cc1 ZINC000657749719 411591976 /nfs/dbraw/zinc/59/19/76/411591976.db2.gz KCZSKNJUDXNZFU-UHFFFAOYSA-N 0 3 237.293 3.824 20 0 BHADHN c1cc2cc(CNCC3=CCCC3)ccc2o1 ZINC000657749856 411592309 /nfs/dbraw/zinc/59/23/09/411592309.db2.gz QIUBVDNWXAILLB-UHFFFAOYSA-N 0 3 227.307 3.633 20 0 BHADHN Fc1ccc(/C=C\CNCC2=CCCC2)cc1 ZINC000657749860 411592319 /nfs/dbraw/zinc/59/23/19/411592319.db2.gz QWSPHQZENPIQEH-UTCJRWHESA-N 0 3 231.314 3.539 20 0 BHADHN Fc1ccc(/C=C/CNCC2=CCCC2)cc1 ZINC000657749861 411592352 /nfs/dbraw/zinc/59/23/52/411592352.db2.gz QWSPHQZENPIQEH-ZZXKWVIFSA-N 0 3 231.314 3.539 20 0 BHADHN Cc1cc(CNCC2=CCCC2)c(C)s1 ZINC000657749984 411592701 /nfs/dbraw/zinc/59/27/01/411592701.db2.gz WEOOJMQOJZGDIV-UHFFFAOYSA-N 0 3 221.369 3.565 20 0 BHADHN c1oc2ccccc2c1CNCC1=CCCC1 ZINC000657750012 411593279 /nfs/dbraw/zinc/59/32/79/411593279.db2.gz XIXJIBFLSOGHOU-UHFFFAOYSA-N 0 3 227.307 3.633 20 0 BHADHN Fc1ccc(/C=C\CNCC2=CCCC2)cc1F ZINC000657750081 411593149 /nfs/dbraw/zinc/59/31/49/411593149.db2.gz ZNBFAEGLYOXXGX-UTCJRWHESA-N 0 3 249.304 3.678 20 0 BHADHN Fc1ccc(/C=C/CNCC2=CCCC2)cc1F ZINC000657750082 411592959 /nfs/dbraw/zinc/59/29/59/411592959.db2.gz ZNBFAEGLYOXXGX-ZZXKWVIFSA-N 0 3 249.304 3.678 20 0 BHADHN Clc1ccsc1CNCC1=CCCC1 ZINC000657750095 411593338 /nfs/dbraw/zinc/59/33/38/411593338.db2.gz ZXADSKTZTNZMQM-UHFFFAOYSA-N 0 3 227.760 3.601 20 0 BHADHN CC(NCc1ccc(Cl)o1)(C1CC1)C1CC1 ZINC000657755477 411590155 /nfs/dbraw/zinc/59/01/55/411590155.db2.gz IPONYFVOJIVTPO-UHFFFAOYSA-N 0 3 239.746 3.601 20 0 BHADHN CSc1ccc(CN[C@]2(C)CC2(C)C)s1 ZINC000657761363 411591085 /nfs/dbraw/zinc/59/10/85/411591085.db2.gz JIYXSQRYIBPVJI-GFCCVEGCSA-N 0 3 241.425 3.748 20 0 BHADHN CSc1ccc(CN[C@@]2(C)CC2(C)C)s1 ZINC000657761364 411590601 /nfs/dbraw/zinc/59/06/01/411590601.db2.gz JIYXSQRYIBPVJI-LBPRGKRZSA-N 0 3 241.425 3.748 20 0 BHADHN CC(C)CC1(NCc2ccc(Cl)o2)CC1 ZINC000657775498 411594619 /nfs/dbraw/zinc/59/46/19/411594619.db2.gz QNJBOSPQTLHJKL-UHFFFAOYSA-N 0 3 227.735 3.601 20 0 BHADHN Clc1ccccc1CNCCCc1ccco1 ZINC000657780430 411597602 /nfs/dbraw/zinc/59/76/02/411597602.db2.gz SJLSBIDQYCSEPY-UHFFFAOYSA-N 0 3 249.741 3.655 20 0 BHADHN C[C@@H](NCCCc1ccco1)c1ccccc1F ZINC000657781314 411597425 /nfs/dbraw/zinc/59/74/25/411597425.db2.gz DDACBXYNPOPLIA-GFCCVEGCSA-N 0 3 247.313 3.702 20 0 BHADHN C[C@H](NCCCc1ccco1)c1ccccc1F ZINC000657781538 411597160 /nfs/dbraw/zinc/59/71/60/411597160.db2.gz DDACBXYNPOPLIA-LBPRGKRZSA-N 0 3 247.313 3.702 20 0 BHADHN CC1(C)CC(NCc2cscc2Cl)C1 ZINC000657801885 411599582 /nfs/dbraw/zinc/59/95/82/411599582.db2.gz LNINTHQFQAXGMO-UHFFFAOYSA-N 0 3 229.776 3.680 20 0 BHADHN C[C@@H](NCc1ccccc1F)C(C)(C)C(F)F ZINC000657819503 411606363 /nfs/dbraw/zinc/60/63/63/411606363.db2.gz GIQXSAXXCOTZIK-SECBINFHSA-N 0 3 245.288 3.595 20 0 BHADHN C[C@H](NCc1ccccc1F)C(C)(C)C(F)F ZINC000657819506 411606754 /nfs/dbraw/zinc/60/67/54/411606754.db2.gz GIQXSAXXCOTZIK-VIFPVBQESA-N 0 3 245.288 3.595 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000657991105 411191586 /nfs/dbraw/zinc/19/15/86/411191586.db2.gz YGFKSIFIUQOVCQ-JTQLQIEISA-N 0 3 240.297 3.636 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccc(C(F)F)nc1 ZINC000657991106 411191268 /nfs/dbraw/zinc/19/12/68/411191268.db2.gz YGFKSIFIUQOVCQ-SNVBAGLBSA-N 0 3 240.297 3.636 20 0 BHADHN Cc1ccoc1CN[C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000658022106 411200456 /nfs/dbraw/zinc/20/04/56/411200456.db2.gz ZWHMJJXERSSNDT-DYEKYZERSA-N 0 3 233.355 3.502 20 0 BHADHN Cc1ccoc1CN[C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000658022107 411200395 /nfs/dbraw/zinc/20/03/95/411200395.db2.gz ZWHMJJXERSSNDT-MBNYWOFBSA-N 0 3 233.355 3.502 20 0 BHADHN CCC1(N[C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000658026216 411203659 /nfs/dbraw/zinc/20/36/59/411203659.db2.gz BWKHGZVGYHTXSY-SECBINFHSA-N 0 3 240.297 3.612 20 0 BHADHN CCC1(N[C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000658026218 411203558 /nfs/dbraw/zinc/20/35/58/411203558.db2.gz BWKHGZVGYHTXSY-VIFPVBQESA-N 0 3 240.297 3.612 20 0 BHADHN CC/C=C\CN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000658027415 411204337 /nfs/dbraw/zinc/20/43/37/411204337.db2.gz MIHSKKCIAQWEHR-LWTINBJPSA-N 0 3 240.297 3.636 20 0 BHADHN CC/C=C/CN[C@H](C)c1ccc(C(F)F)nc1 ZINC000658027417 411204247 /nfs/dbraw/zinc/20/42/47/411204247.db2.gz MIHSKKCIAQWEHR-ORAHPGNNSA-N 0 3 240.297 3.636 20 0 BHADHN CC/C=C\CN[C@H](C)c1ccc(C(F)F)nc1 ZINC000658027419 411204855 /nfs/dbraw/zinc/20/48/55/411204855.db2.gz MIHSKKCIAQWEHR-UMCURTJPSA-N 0 3 240.297 3.636 20 0 BHADHN CC/C=C/CN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000658027420 411204840 /nfs/dbraw/zinc/20/48/40/411204840.db2.gz MIHSKKCIAQWEHR-YEZKRMTDSA-N 0 3 240.297 3.636 20 0 BHADHN CCC(C)(C)[C@@H](C)N[C@H](C)c1ccco1 ZINC000658113183 411247063 /nfs/dbraw/zinc/24/70/63/411247063.db2.gz DRDXMWZUEDGUOL-GHMZBOCLSA-N 0 3 209.333 3.755 20 0 BHADHN CCC(C)(C)[C@H](C)N[C@H](C)c1ccco1 ZINC000658113185 411247388 /nfs/dbraw/zinc/24/73/88/411247388.db2.gz DRDXMWZUEDGUOL-MNOVXSKESA-N 0 3 209.333 3.755 20 0 BHADHN CCC(C)(C)[C@H](C)N[C@@H](C)c1ccco1 ZINC000658113186 411247496 /nfs/dbraw/zinc/24/74/96/411247496.db2.gz DRDXMWZUEDGUOL-QWRGUYRKSA-N 0 3 209.333 3.755 20 0 BHADHN CCC(C)(C)[C@@H](C)N[C@@H](C)c1ccco1 ZINC000658113188 411247356 /nfs/dbraw/zinc/24/73/56/411247356.db2.gz DRDXMWZUEDGUOL-WDEREUQCSA-N 0 3 209.333 3.755 20 0 BHADHN CCC(C)(C)[C@@H](C)N[C@H](C)c1cscn1 ZINC000658113396 487545151 /nfs/dbraw/zinc/54/51/51/487545151.db2.gz GMZOLDYUPRCCJO-NXEZZACHSA-N 0 3 226.389 3.618 20 0 BHADHN CCC(C)(C)[C@H](C)N[C@@H](C)c1cscn1 ZINC000658113397 487544902 /nfs/dbraw/zinc/54/49/02/487544902.db2.gz GMZOLDYUPRCCJO-UWVGGRQHSA-N 0 3 226.389 3.618 20 0 BHADHN CCC(C)(C)[C@@H](C)N[C@@H](C)c1cscn1 ZINC000658113398 487544629 /nfs/dbraw/zinc/54/46/29/487544629.db2.gz GMZOLDYUPRCCJO-VHSXEESVSA-N 0 3 226.389 3.618 20 0 BHADHN CCC(C)(C)[C@H](C)N[C@H](C)c1cscn1 ZINC000658113399 487544332 /nfs/dbraw/zinc/54/43/32/487544332.db2.gz GMZOLDYUPRCCJO-ZJUUUORDSA-N 0 3 226.389 3.618 20 0 BHADHN CCC(C)(C)[C@@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000658113454 487545120 /nfs/dbraw/zinc/54/51/20/487545120.db2.gz HGYXXPXFTQNXIF-GHMZBOCLSA-N 0 3 238.350 3.696 20 0 BHADHN CCC(C)(C)[C@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000658113455 487544536 /nfs/dbraw/zinc/54/45/36/487544536.db2.gz HGYXXPXFTQNXIF-MNOVXSKESA-N 0 3 238.350 3.696 20 0 BHADHN CCC(C)(C)[C@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000658113457 487544557 /nfs/dbraw/zinc/54/45/57/487544557.db2.gz HGYXXPXFTQNXIF-QWRGUYRKSA-N 0 3 238.350 3.696 20 0 BHADHN CCC(C)(C)[C@@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000658113459 487544754 /nfs/dbraw/zinc/54/47/54/487544754.db2.gz HGYXXPXFTQNXIF-WDEREUQCSA-N 0 3 238.350 3.696 20 0 BHADHN CCC(C)(C)[C@@H](C)N[C@H](C)c1csc(C)n1 ZINC000658114445 411247218 /nfs/dbraw/zinc/24/72/18/411247218.db2.gz OARRCBNLNRLWFQ-NXEZZACHSA-N 0 3 240.416 3.927 20 0 BHADHN CCC(C)(C)[C@H](C)N[C@@H](C)c1csc(C)n1 ZINC000658114446 411247436 /nfs/dbraw/zinc/24/74/36/411247436.db2.gz OARRCBNLNRLWFQ-UWVGGRQHSA-N 0 3 240.416 3.927 20 0 BHADHN CCC(C)(C)[C@@H](C)N[C@@H](C)c1csc(C)n1 ZINC000658114447 411247123 /nfs/dbraw/zinc/24/71/23/411247123.db2.gz OARRCBNLNRLWFQ-VHSXEESVSA-N 0 3 240.416 3.927 20 0 BHADHN CCC(C)(C)[C@H](C)N[C@H](C)c1csc(C)n1 ZINC000658114448 411247560 /nfs/dbraw/zinc/24/75/60/411247560.db2.gz OARRCBNLNRLWFQ-ZJUUUORDSA-N 0 3 240.416 3.927 20 0 BHADHN CCC(C)(C)[C@@H](C)N[C@H](C)c1nccs1 ZINC000658116173 411248944 /nfs/dbraw/zinc/24/89/44/411248944.db2.gz ZLJMCIDUVRWUER-NXEZZACHSA-N 0 3 226.389 3.618 20 0 BHADHN CCC(C)(C)[C@H](C)N[C@@H](C)c1nccs1 ZINC000658116176 411249386 /nfs/dbraw/zinc/24/93/86/411249386.db2.gz ZLJMCIDUVRWUER-UWVGGRQHSA-N 0 3 226.389 3.618 20 0 BHADHN CCC(C)(C)[C@@H](C)N[C@@H](C)c1nccs1 ZINC000658116179 411249045 /nfs/dbraw/zinc/24/90/45/411249045.db2.gz ZLJMCIDUVRWUER-VHSXEESVSA-N 0 3 226.389 3.618 20 0 BHADHN CCC(C)(C)[C@H](C)N[C@H](C)c1nccs1 ZINC000658116182 411249207 /nfs/dbraw/zinc/24/92/07/411249207.db2.gz ZLJMCIDUVRWUER-ZJUUUORDSA-N 0 3 226.389 3.618 20 0 BHADHN CCc1cccnc1[C@@H](C)NCC[C@H](C)CC ZINC000658119730 411250246 /nfs/dbraw/zinc/25/02/46/411250246.db2.gz GRDNRIQCVFZMSH-CHWSQXEVSA-N 0 3 234.387 3.731 20 0 BHADHN CCc1cccnc1[C@H](C)NCC[C@H](C)CC ZINC000658119731 411250551 /nfs/dbraw/zinc/25/05/51/411250551.db2.gz GRDNRIQCVFZMSH-OLZOCXBDSA-N 0 3 234.387 3.731 20 0 BHADHN CCc1cccnc1[C@@H](C)NCC[C@@H](C)CC ZINC000658119732 411250276 /nfs/dbraw/zinc/25/02/76/411250276.db2.gz GRDNRIQCVFZMSH-QWHCGFSZSA-N 0 3 234.387 3.731 20 0 BHADHN CCc1cccnc1[C@H](C)NCC[C@@H](C)CC ZINC000658119733 411250416 /nfs/dbraw/zinc/25/04/16/411250416.db2.gz GRDNRIQCVFZMSH-STQMWFEESA-N 0 3 234.387 3.731 20 0 BHADHN CC[C@@H](C)CCN[C@H](C)c1csc(C)n1 ZINC000658120591 411250395 /nfs/dbraw/zinc/25/03/95/411250395.db2.gz LUBXEHMHMQTFKC-NXEZZACHSA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@H](C)CCN[C@@H](C)c1csc(C)n1 ZINC000658120592 411250562 /nfs/dbraw/zinc/25/05/62/411250562.db2.gz LUBXEHMHMQTFKC-UWVGGRQHSA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@H](C)CCN[C@H](C)c1csc(C)n1 ZINC000658120593 411250426 /nfs/dbraw/zinc/25/04/26/411250426.db2.gz LUBXEHMHMQTFKC-VHSXEESVSA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@@H](C)CCN[C@@H](C)c1csc(C)n1 ZINC000658120594 411250174 /nfs/dbraw/zinc/25/01/74/411250174.db2.gz LUBXEHMHMQTFKC-ZJUUUORDSA-N 0 3 226.389 3.538 20 0 BHADHN CC[C@H](C)CCN[C@@H](CC)c1ccc(F)cn1 ZINC000658122238 411251106 /nfs/dbraw/zinc/25/11/06/411251106.db2.gz SISLIMATHPPEQS-AAEUAGOBSA-N 0 3 238.350 3.698 20 0 BHADHN CC[C@@H](C)CCN[C@H](CC)c1ccc(F)cn1 ZINC000658122240 411251574 /nfs/dbraw/zinc/25/15/74/411251574.db2.gz SISLIMATHPPEQS-DGCLKSJQSA-N 0 3 238.350 3.698 20 0 BHADHN CC[C@@H](NCC[C@@H](C)CC)c1ccc(F)cn1 ZINC000658122242 411251435 /nfs/dbraw/zinc/25/14/35/411251435.db2.gz SISLIMATHPPEQS-WCQYABFASA-N 0 3 238.350 3.698 20 0 BHADHN CC[C@@H](C)CCN[C@@H](CC)c1ccc(F)cn1 ZINC000658122244 411250928 /nfs/dbraw/zinc/25/09/28/411250928.db2.gz SISLIMATHPPEQS-YPMHNXCESA-N 0 3 238.350 3.698 20 0 BHADHN CC[C@@H](C)CCN[C@H](C)c1ccc(Cl)cn1 ZINC000658122250 411250913 /nfs/dbraw/zinc/25/09/13/411250913.db2.gz SPIYTNWTBREUGH-GHMZBOCLSA-N 0 3 240.778 3.822 20 0 BHADHN CC[C@@H](C)CCN[C@@H](C)c1ccc(Cl)cn1 ZINC000658122252 411251720 /nfs/dbraw/zinc/25/17/20/411251720.db2.gz SPIYTNWTBREUGH-MNOVXSKESA-N 0 3 240.778 3.822 20 0 BHADHN CC[C@H](C)CCN[C@@H](C)c1ccc(Cl)cn1 ZINC000658122253 411251656 /nfs/dbraw/zinc/25/16/56/411251656.db2.gz SPIYTNWTBREUGH-QWRGUYRKSA-N 0 3 240.778 3.822 20 0 BHADHN CC[C@H](C)CCN[C@H](C)c1ccc(Cl)cn1 ZINC000658122255 411251620 /nfs/dbraw/zinc/25/16/20/411251620.db2.gz SPIYTNWTBREUGH-WDEREUQCSA-N 0 3 240.778 3.822 20 0 BHADHN CC[C@@H](C)CCN[C@H](C)c1nc(C)sc1C ZINC000658123268 411252645 /nfs/dbraw/zinc/25/26/45/411252645.db2.gz XEZDACWBTRSSSL-NXEZZACHSA-N 0 3 240.416 3.847 20 0 BHADHN CC[C@H](C)CCN[C@@H](C)c1nc(C)sc1C ZINC000658123269 411252337 /nfs/dbraw/zinc/25/23/37/411252337.db2.gz XEZDACWBTRSSSL-UWVGGRQHSA-N 0 3 240.416 3.847 20 0 BHADHN CC[C@H](C)CCN[C@H](C)c1nc(C)sc1C ZINC000658123270 411252209 /nfs/dbraw/zinc/25/22/09/411252209.db2.gz XEZDACWBTRSSSL-VHSXEESVSA-N 0 3 240.416 3.847 20 0 BHADHN CC[C@@H](C)CCN[C@@H](C)c1nc(C)sc1C ZINC000658123271 411252385 /nfs/dbraw/zinc/25/23/85/411252385.db2.gz XEZDACWBTRSSSL-ZJUUUORDSA-N 0 3 240.416 3.847 20 0 BHADHN CC[C@@H](C)CCN[C@H](C)c1ccncc1Cl ZINC000658126789 411254201 /nfs/dbraw/zinc/25/42/01/411254201.db2.gz ZQUMFFZCEAJBGZ-GHMZBOCLSA-N 0 3 240.778 3.822 20 0 BHADHN CC[C@@H](C)CCN[C@@H](C)c1ccncc1Cl ZINC000658126790 411254368 /nfs/dbraw/zinc/25/43/68/411254368.db2.gz ZQUMFFZCEAJBGZ-MNOVXSKESA-N 0 3 240.778 3.822 20 0 BHADHN CC[C@H](C)CCN[C@@H](C)c1ccncc1Cl ZINC000658126791 411254152 /nfs/dbraw/zinc/25/41/52/411254152.db2.gz ZQUMFFZCEAJBGZ-QWRGUYRKSA-N 0 3 240.778 3.822 20 0 BHADHN CC[C@H](C)CCN[C@H](C)c1ccncc1Cl ZINC000658126792 411254295 /nfs/dbraw/zinc/25/42/95/411254295.db2.gz ZQUMFFZCEAJBGZ-WDEREUQCSA-N 0 3 240.778 3.822 20 0 BHADHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1C)c1ccco1 ZINC000658166029 411276693 /nfs/dbraw/zinc/27/66/93/411276693.db2.gz NCGXMGKJPNLMMU-SLEUVZQESA-N 0 3 241.334 3.659 20 0 BHADHN C[C@@H](N[C@@H]1Cc2ccccc2[C@@H]1C)c1ccco1 ZINC000658166030 411277418 /nfs/dbraw/zinc/27/74/18/411277418.db2.gz NCGXMGKJPNLMMU-YWPYICTPSA-N 0 3 241.334 3.659 20 0 BHADHN C[C@@H](NCCC(C)(C)F)c1ccncc1Cl ZINC000658190602 411286197 /nfs/dbraw/zinc/28/61/97/411286197.db2.gz JRYQLFPZLVFWRH-SECBINFHSA-N 0 3 244.741 3.524 20 0 BHADHN C[C@H](NCCC(C)(C)F)c1ccncc1Cl ZINC000658190604 411285975 /nfs/dbraw/zinc/28/59/75/411285975.db2.gz JRYQLFPZLVFWRH-VIFPVBQESA-N 0 3 244.741 3.524 20 0 BHADHN Cc1cc([C@H](C)NCCC(C)(C)F)oc1C ZINC000658191131 411286690 /nfs/dbraw/zinc/28/66/90/411286690.db2.gz KTPZIHOYUJESKZ-JTQLQIEISA-N 0 3 227.323 3.685 20 0 BHADHN Cc1cc([C@@H](C)NCCC(C)(C)F)oc1C ZINC000658191132 411286517 /nfs/dbraw/zinc/28/65/17/411286517.db2.gz KTPZIHOYUJESKZ-SNVBAGLBSA-N 0 3 227.323 3.685 20 0 BHADHN COc1ccsc1[C@@H](C)NCCC(C)(C)F ZINC000658191266 411286849 /nfs/dbraw/zinc/28/68/49/411286849.db2.gz OOYHBMRANLFUJX-SECBINFHSA-N 0 3 245.363 3.546 20 0 BHADHN COc1ccsc1[C@H](C)NCCC(C)(C)F ZINC000658191267 411286745 /nfs/dbraw/zinc/28/67/45/411286745.db2.gz OOYHBMRANLFUJX-VIFPVBQESA-N 0 3 245.363 3.546 20 0 BHADHN C[C@@H](NCCC(C)(C)F)c1ccc(Cl)cn1 ZINC000658191294 411286669 /nfs/dbraw/zinc/28/66/69/411286669.db2.gz PEJIGXSGGADKAJ-SECBINFHSA-N 0 3 244.741 3.524 20 0 BHADHN C[C@H](NCCC(C)(C)F)c1ccc(Cl)cn1 ZINC000658191296 411286946 /nfs/dbraw/zinc/28/69/46/411286946.db2.gz PEJIGXSGGADKAJ-VIFPVBQESA-N 0 3 244.741 3.524 20 0 BHADHN C[C@@H](NCCC(C)(C)F)c1cccc(F)c1F ZINC000658191418 411286942 /nfs/dbraw/zinc/28/69/42/411286942.db2.gz RVNNDENZGKKJMM-SECBINFHSA-N 0 3 245.288 3.754 20 0 BHADHN C[C@H](NCCC(C)(C)F)c1cccc(F)c1F ZINC000658191419 411286663 /nfs/dbraw/zinc/28/66/63/411286663.db2.gz RVNNDENZGKKJMM-VIFPVBQESA-N 0 3 245.288 3.754 20 0 BHADHN Cc1nc([C@@H](C)NCCC(C)(C)F)c(C)s1 ZINC000658192414 411288595 /nfs/dbraw/zinc/28/85/95/411288595.db2.gz JOZLXKOQKCMUKT-MRVPVSSYSA-N 0 3 244.379 3.549 20 0 BHADHN Cc1nc([C@H](C)NCCC(C)(C)F)c(C)s1 ZINC000658192415 411288297 /nfs/dbraw/zinc/28/82/97/411288297.db2.gz JOZLXKOQKCMUKT-QMMMGPOBSA-N 0 3 244.379 3.549 20 0 BHADHN CCC[C@@H](NCCC(C)(C)F)c1ccccn1 ZINC000658192583 411288349 /nfs/dbraw/zinc/28/83/49/411288349.db2.gz MQYSGBJWJQHAQN-GFCCVEGCSA-N 0 3 238.350 3.651 20 0 BHADHN CCC[C@H](NCCC(C)(C)F)c1ccccn1 ZINC000658192584 411288302 /nfs/dbraw/zinc/28/83/02/411288302.db2.gz MQYSGBJWJQHAQN-LBPRGKRZSA-N 0 3 238.350 3.651 20 0 BHADHN C[C@@H](NCCC(C)(C)F)c1cc(F)cc(F)c1 ZINC000658192613 411288295 /nfs/dbraw/zinc/28/82/95/411288295.db2.gz NLAWVTKUNICMHZ-SECBINFHSA-N 0 3 245.288 3.754 20 0 BHADHN C[C@H](NCCC(C)(C)F)c1cc(F)cc(F)c1 ZINC000658192614 411288397 /nfs/dbraw/zinc/28/83/97/411288397.db2.gz NLAWVTKUNICMHZ-VIFPVBQESA-N 0 3 245.288 3.754 20 0 BHADHN CCc1ccc([C@H](C)NCCC(C)(C)F)o1 ZINC000658192996 411288581 /nfs/dbraw/zinc/28/85/81/411288581.db2.gz QIGINALOSZQYQD-JTQLQIEISA-N 0 3 227.323 3.631 20 0 BHADHN CCc1ccc([C@@H](C)NCCC(C)(C)F)o1 ZINC000658192997 411288527 /nfs/dbraw/zinc/28/85/27/411288527.db2.gz QIGINALOSZQYQD-SNVBAGLBSA-N 0 3 227.323 3.631 20 0 BHADHN Cc1cc([C@H](C)NCCC(C)(C)F)c(C)o1 ZINC000658193524 411288450 /nfs/dbraw/zinc/28/84/50/411288450.db2.gz WGOZEBTZZIJDEH-JTQLQIEISA-N 0 3 227.323 3.685 20 0 BHADHN Cc1cc([C@@H](C)NCCC(C)(C)F)c(C)o1 ZINC000658193528 411288562 /nfs/dbraw/zinc/28/85/62/411288562.db2.gz WGOZEBTZZIJDEH-SNVBAGLBSA-N 0 3 227.323 3.685 20 0 BHADHN CC[C@H](NCCc1ccoc1)c1ccccc1F ZINC000658197715 411290588 /nfs/dbraw/zinc/29/05/88/411290588.db2.gz DMMOYQFFFOWSPI-HNNXBMFYSA-N 0 3 247.313 3.702 20 0 BHADHN CC[C@@H](NCCc1ccoc1)c1ccccc1F ZINC000658197719 411290574 /nfs/dbraw/zinc/29/05/74/411290574.db2.gz DMMOYQFFFOWSPI-OAHLLOKOSA-N 0 3 247.313 3.702 20 0 BHADHN CCc1ccc([C@@H](C)NC[C@@]2(C)CC2(F)F)o1 ZINC000658216436 411297113 /nfs/dbraw/zinc/29/71/13/411297113.db2.gz BWOQFKIJYRQAOB-BXKDBHETSA-N 0 3 243.297 3.538 20 0 BHADHN CCc1ccc([C@H](C)NC[C@]2(C)CC2(F)F)o1 ZINC000658216437 411296956 /nfs/dbraw/zinc/29/69/56/411296956.db2.gz BWOQFKIJYRQAOB-CABZTGNLSA-N 0 3 243.297 3.538 20 0 BHADHN CCc1ccc([C@H](C)NC[C@@]2(C)CC2(F)F)o1 ZINC000658216438 411296822 /nfs/dbraw/zinc/29/68/22/411296822.db2.gz BWOQFKIJYRQAOB-JOYOIKCWSA-N 0 3 243.297 3.538 20 0 BHADHN CCc1ccc([C@@H](C)NC[C@]2(C)CC2(F)F)o1 ZINC000658216439 411297141 /nfs/dbraw/zinc/29/71/41/411297141.db2.gz BWOQFKIJYRQAOB-SKDRFNHKSA-N 0 3 243.297 3.538 20 0 BHADHN Cc1cc([C@@H](C)NC[C@@]2(C)CC2(F)F)oc1C ZINC000658220882 411300313 /nfs/dbraw/zinc/30/03/13/411300313.db2.gz JOPVODUXSKIPME-BXKDBHETSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@H](C)NC[C@]2(C)CC2(F)F)oc1C ZINC000658220884 411300399 /nfs/dbraw/zinc/30/03/99/411300399.db2.gz JOPVODUXSKIPME-CABZTGNLSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@H](C)NC[C@@]2(C)CC2(F)F)oc1C ZINC000658220886 411300210 /nfs/dbraw/zinc/30/02/10/411300210.db2.gz JOPVODUXSKIPME-JOYOIKCWSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@@H](C)NC[C@]2(C)CC2(F)F)oc1C ZINC000658220887 411300368 /nfs/dbraw/zinc/30/03/68/411300368.db2.gz JOPVODUXSKIPME-SKDRFNHKSA-N 0 3 243.297 3.592 20 0 BHADHN C[C@@H](NCCCC1CCC1)c1ccoc1 ZINC000658221320 411301240 /nfs/dbraw/zinc/30/12/40/411301240.db2.gz KVZSQTJXJVEFGJ-LLVKDONJSA-N 0 3 207.317 3.511 20 0 BHADHN C[C@H](NCCCC1CCC1)c1ccoc1 ZINC000658221322 411301112 /nfs/dbraw/zinc/30/11/12/411301112.db2.gz KVZSQTJXJVEFGJ-NSHDSACASA-N 0 3 207.317 3.511 20 0 BHADHN CCc1cccnc1[C@@H](C)NCCCC1CCC1 ZINC000658221839 411301025 /nfs/dbraw/zinc/30/10/25/411301025.db2.gz MKXFFUUQUFSYIV-CYBMUJFWSA-N 0 3 246.398 3.875 20 0 BHADHN CCc1cccnc1[C@H](C)NCCCC1CCC1 ZINC000658221840 411301231 /nfs/dbraw/zinc/30/12/31/411301231.db2.gz MKXFFUUQUFSYIV-ZDUSSCGKSA-N 0 3 246.398 3.875 20 0 BHADHN Cc1cc([C@@H](C)NC[C@@]2(C)CC2(F)F)c(C)o1 ZINC000658222963 411301780 /nfs/dbraw/zinc/30/17/80/411301780.db2.gz XEMQWOJXDYUVHP-BXKDBHETSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@H](C)NC[C@]2(C)CC2(F)F)c(C)o1 ZINC000658222964 411302321 /nfs/dbraw/zinc/30/23/21/411302321.db2.gz XEMQWOJXDYUVHP-CABZTGNLSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@H](C)NC[C@@]2(C)CC2(F)F)c(C)o1 ZINC000658222965 411301759 /nfs/dbraw/zinc/30/17/59/411301759.db2.gz XEMQWOJXDYUVHP-JOYOIKCWSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1cc([C@@H](C)NC[C@]2(C)CC2(F)F)c(C)o1 ZINC000658222966 411301906 /nfs/dbraw/zinc/30/19/06/411301906.db2.gz XEMQWOJXDYUVHP-SKDRFNHKSA-N 0 3 243.297 3.592 20 0 BHADHN Cc1ccc([C@H](C)NCC[C@]2(C)CC2(F)F)o1 ZINC000658223077 411301979 /nfs/dbraw/zinc/30/19/79/411301979.db2.gz IPBKKTIDNMQOJI-CMPLNLGQSA-N 0 3 243.297 3.674 20 0 BHADHN Cc1ccc([C@H](C)NCC[C@@]2(C)CC2(F)F)o1 ZINC000658223080 411301957 /nfs/dbraw/zinc/30/19/57/411301957.db2.gz IPBKKTIDNMQOJI-JQWIXIFHSA-N 0 3 243.297 3.674 20 0 BHADHN Cc1ccc([C@@H](C)NCC[C@@]2(C)CC2(F)F)o1 ZINC000658223083 411302008 /nfs/dbraw/zinc/30/20/08/411302008.db2.gz IPBKKTIDNMQOJI-PWSUYJOCSA-N 0 3 243.297 3.674 20 0 BHADHN Cc1ccc([C@@H](C)NCC[C@]2(C)CC2(F)F)o1 ZINC000658223086 411302442 /nfs/dbraw/zinc/30/24/42/411302442.db2.gz IPBKKTIDNMQOJI-ZYHUDNBSSA-N 0 3 243.297 3.674 20 0 BHADHN Cc1nc([C@H](C)NCCCC2CCC2)cs1 ZINC000658225590 411304807 /nfs/dbraw/zinc/30/48/07/411304807.db2.gz ZQVMZOZQVPDXSN-JTQLQIEISA-N 0 3 238.400 3.682 20 0 BHADHN Cc1nc([C@@H](C)NCCCC2CCC2)cs1 ZINC000658225591 411304864 /nfs/dbraw/zinc/30/48/64/411304864.db2.gz ZQVMZOZQVPDXSN-SNVBAGLBSA-N 0 3 238.400 3.682 20 0 BHADHN C[C@@H](NCCCC1CCC1)c1ccco1 ZINC000658225596 411304614 /nfs/dbraw/zinc/30/46/14/411304614.db2.gz ZSGAHIFDNAGRJT-LLVKDONJSA-N 0 3 207.317 3.511 20 0 BHADHN C[C@H](NCCCC1CCC1)c1ccco1 ZINC000658225597 411304579 /nfs/dbraw/zinc/30/45/79/411304579.db2.gz ZSGAHIFDNAGRJT-NSHDSACASA-N 0 3 207.317 3.511 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccncc1Cl)C1CC1 ZINC000658235918 411306187 /nfs/dbraw/zinc/30/61/87/411306187.db2.gz SSAQUNVZEXHKDQ-NOZJJQNGSA-N 0 3 238.762 3.574 20 0 BHADHN CC[C@H](N[C@H](C)c1ccncc1Cl)C1CC1 ZINC000658235920 411306268 /nfs/dbraw/zinc/30/62/68/411306268.db2.gz SSAQUNVZEXHKDQ-RNCFNFMXSA-N 0 3 238.762 3.574 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccncc1Cl)C1CC1 ZINC000658235921 411306175 /nfs/dbraw/zinc/30/61/75/411306175.db2.gz SSAQUNVZEXHKDQ-TVQRCGJNSA-N 0 3 238.762 3.574 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccncc1Cl)C1CC1 ZINC000658235922 411306053 /nfs/dbraw/zinc/30/60/53/411306053.db2.gz SSAQUNVZEXHKDQ-ZANVPECISA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H]1c1ccccc1)c1ccoc1 ZINC000658264765 411319101 /nfs/dbraw/zinc/31/91/01/411319101.db2.gz MJVVSMAQASMUBJ-APHBMKBZSA-N 0 3 241.334 3.876 20 0 BHADHN C[C@@H](N[C@@H]1CC[C@@H]1c1ccccc1)c1ccoc1 ZINC000658264766 411319047 /nfs/dbraw/zinc/31/90/47/411319047.db2.gz MJVVSMAQASMUBJ-DAXOMENPSA-N 0 3 241.334 3.876 20 0 BHADHN C[C@@H](N[C@@H]1CC[C@@H]1c1ccccc1)c1ccco1 ZINC000658265274 411319094 /nfs/dbraw/zinc/31/90/94/411319094.db2.gz RFQGLIZOTJLOEE-BPLDGKMQSA-N 0 3 241.334 3.876 20 0 BHADHN C[C@H](N[C@@H]1CC[C@@H]1c1ccccc1)c1ccco1 ZINC000658265275 411318925 /nfs/dbraw/zinc/31/89/25/411318925.db2.gz RFQGLIZOTJLOEE-NWANDNLSSA-N 0 3 241.334 3.876 20 0 BHADHN Cc1ccc([C@H](C)NC[C@@H]2C(C)(C)C2(F)F)o1 ZINC000658281693 411320781 /nfs/dbraw/zinc/32/07/81/411320781.db2.gz BILMGFYMDWKJAC-GXSJLCMTSA-N 0 3 243.297 3.530 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@H]2C(C)(C)C2(F)F)o1 ZINC000658281694 411320243 /nfs/dbraw/zinc/32/02/43/411320243.db2.gz BILMGFYMDWKJAC-KOLCDFICSA-N 0 3 243.297 3.530 20 0 BHADHN Cc1ccc([C@@H](C)NC[C@@H]2C(C)(C)C2(F)F)o1 ZINC000658281696 411320574 /nfs/dbraw/zinc/32/05/74/411320574.db2.gz BILMGFYMDWKJAC-MWLCHTKSSA-N 0 3 243.297 3.530 20 0 BHADHN Cc1ccc([C@H](C)NC[C@H]2C(C)(C)C2(F)F)o1 ZINC000658281698 411320734 /nfs/dbraw/zinc/32/07/34/411320734.db2.gz BILMGFYMDWKJAC-ONGXEEELSA-N 0 3 243.297 3.530 20 0 BHADHN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccsc1 ZINC000658284209 411322392 /nfs/dbraw/zinc/32/23/92/411322392.db2.gz OUGBQWHVZGPEEA-PSASIEDQSA-N 0 3 245.338 3.690 20 0 BHADHN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1ccsc1 ZINC000658284211 411323053 /nfs/dbraw/zinc/32/30/53/411323053.db2.gz OUGBQWHVZGPEEA-SCZZXKLOSA-N 0 3 245.338 3.690 20 0 BHADHN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccsc1 ZINC000658284213 411323240 /nfs/dbraw/zinc/32/32/40/411323240.db2.gz OUGBQWHVZGPEEA-WCBMZHEXSA-N 0 3 245.338 3.690 20 0 BHADHN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1ccsc1 ZINC000658284215 411323092 /nfs/dbraw/zinc/32/30/92/411323092.db2.gz OUGBQWHVZGPEEA-WPRPVWTQSA-N 0 3 245.338 3.690 20 0 BHADHN CCC[C@H](NCC1=CCCC1)c1ccccn1 ZINC000658290454 487579070 /nfs/dbraw/zinc/57/90/70/487579070.db2.gz ABUKRPBIHMNFBA-AWEZNQCLSA-N 0 3 230.355 3.623 20 0 BHADHN CCC[C@@H](NCC1=CCCC1)c1ccccn1 ZINC000658290455 487579313 /nfs/dbraw/zinc/57/93/13/487579313.db2.gz ABUKRPBIHMNFBA-CQSZACIVSA-N 0 3 230.355 3.623 20 0 BHADHN Cc1cc([C@@H](C)NCC2=CCCC2)oc1C ZINC000658290555 487579290 /nfs/dbraw/zinc/57/92/90/487579290.db2.gz BYFMHTFIRRCJKN-LLVKDONJSA-N 0 3 219.328 3.657 20 0 BHADHN Cc1cc([C@H](C)NCC2=CCCC2)oc1C ZINC000658290559 487578872 /nfs/dbraw/zinc/57/88/72/487578872.db2.gz BYFMHTFIRRCJKN-NSHDSACASA-N 0 3 219.328 3.657 20 0 BHADHN C[C@@H](NCC1=CCCC1)c1cc2cnccc2o1 ZINC000658290613 487579179 /nfs/dbraw/zinc/57/91/79/487579179.db2.gz CMPSTKRMJKFLAO-LLVKDONJSA-N 0 3 242.322 3.589 20 0 BHADHN C[C@H](NCC1=CCCC1)c1cc2cnccc2o1 ZINC000658290616 487578886 /nfs/dbraw/zinc/57/88/86/487578886.db2.gz CMPSTKRMJKFLAO-NSHDSACASA-N 0 3 242.322 3.589 20 0 BHADHN Cc1cc([C@@H](C)NCC2=CCCC2)cs1 ZINC000658290814 411324345 /nfs/dbraw/zinc/32/43/45/411324345.db2.gz GGBPYONRJRWKHZ-LLVKDONJSA-N 0 3 221.369 3.817 20 0 BHADHN Cc1cc([C@H](C)NCC2=CCCC2)cs1 ZINC000658290821 411324633 /nfs/dbraw/zinc/32/46/33/411324633.db2.gz GGBPYONRJRWKHZ-NSHDSACASA-N 0 3 221.369 3.817 20 0 BHADHN CC(C)[C@H](NCC1=CCCC1)c1ccc(F)cn1 ZINC000658291058 411324537 /nfs/dbraw/zinc/32/45/37/411324537.db2.gz KTNKEHCCEUMDDC-HNNXBMFYSA-N 0 3 248.345 3.618 20 0 BHADHN CC(C)[C@@H](NCC1=CCCC1)c1ccc(F)cn1 ZINC000658291060 411324439 /nfs/dbraw/zinc/32/44/39/411324439.db2.gz KTNKEHCCEUMDDC-OAHLLOKOSA-N 0 3 248.345 3.618 20 0 BHADHN CC[C@@H](NCC1=CCCC1)c1ccsc1 ZINC000658291173 411325104 /nfs/dbraw/zinc/32/51/04/411325104.db2.gz MCQFLJSHRCDAJE-CYBMUJFWSA-N 0 3 221.369 3.899 20 0 BHADHN CC[C@H](NCC1=CCCC1)c1ccsc1 ZINC000658291176 411325027 /nfs/dbraw/zinc/32/50/27/411325027.db2.gz MCQFLJSHRCDAJE-ZDUSSCGKSA-N 0 3 221.369 3.899 20 0 BHADHN C[C@@H](NCC1=CCCC1)c1ccccc1N(C)C ZINC000658291401 411324706 /nfs/dbraw/zinc/32/47/06/411324706.db2.gz OMUBQHSOMZPMCH-CYBMUJFWSA-N 0 3 244.382 3.514 20 0 BHADHN C[C@H](NCC1=CCCC1)c1ccccc1N(C)C ZINC000658291403 411325122 /nfs/dbraw/zinc/32/51/22/411325122.db2.gz OMUBQHSOMZPMCH-ZDUSSCGKSA-N 0 3 244.382 3.514 20 0 BHADHN Cc1c([C@@H](C)NCC2=CCCC2)cnn1C(C)C ZINC000658291453 411324679 /nfs/dbraw/zinc/32/46/79/411324679.db2.gz PIEOSRGNKLVLRR-GFCCVEGCSA-N 0 3 247.386 3.533 20 0 BHADHN Cc1c([C@H](C)NCC2=CCCC2)cnn1C(C)C ZINC000658291454 411325022 /nfs/dbraw/zinc/32/50/22/411325022.db2.gz PIEOSRGNKLVLRR-LBPRGKRZSA-N 0 3 247.386 3.533 20 0 BHADHN C1=C(CN[C@H](c2cccnc2)C2CCC2)CCC1 ZINC000658291469 411324407 /nfs/dbraw/zinc/32/44/07/411324407.db2.gz QKJYPTAXDQJWIM-INIZCTEOSA-N 0 3 242.366 3.623 20 0 BHADHN C1=C(CN[C@@H](c2cccnc2)C2CCC2)CCC1 ZINC000658291471 411324975 /nfs/dbraw/zinc/32/49/75/411324975.db2.gz QKJYPTAXDQJWIM-MRXNPFEDSA-N 0 3 242.366 3.623 20 0 BHADHN CC(C)C[C@H](NCC1=CCCC1)c1ccncc1 ZINC000658291477 411324659 /nfs/dbraw/zinc/32/46/59/411324659.db2.gz QTGUTKQRAOSTMO-INIZCTEOSA-N 0 3 244.382 3.869 20 0 BHADHN CC(C)C[C@@H](NCC1=CCCC1)c1ccncc1 ZINC000658291479 411324831 /nfs/dbraw/zinc/32/48/31/411324831.db2.gz QTGUTKQRAOSTMO-MRXNPFEDSA-N 0 3 244.382 3.869 20 0 BHADHN COc1ccsc1[C@H](C)NCC1=CCCC1 ZINC000658291480 411324292 /nfs/dbraw/zinc/32/42/92/411324292.db2.gz QWKCHLRDXVFCPB-JTQLQIEISA-N 0 3 237.368 3.518 20 0 BHADHN COc1ccsc1[C@@H](C)NCC1=CCCC1 ZINC000658291481 411324712 /nfs/dbraw/zinc/32/47/12/411324712.db2.gz QWKCHLRDXVFCPB-SNVBAGLBSA-N 0 3 237.368 3.518 20 0 BHADHN CCC[C@H](NCC1=CCCC1)c1cccnc1 ZINC000658291776 411324669 /nfs/dbraw/zinc/32/46/69/411324669.db2.gz TUCYVMOWVCBZFO-HNNXBMFYSA-N 0 3 230.355 3.623 20 0 BHADHN CCC[C@@H](NCC1=CCCC1)c1cccnc1 ZINC000658291777 411324496 /nfs/dbraw/zinc/32/44/96/411324496.db2.gz TUCYVMOWVCBZFO-OAHLLOKOSA-N 0 3 230.355 3.623 20 0 BHADHN C1=C(CN[C@H]2CCSc3ccccc32)CCC1 ZINC000658292605 411325530 /nfs/dbraw/zinc/32/55/30/411325530.db2.gz ABWUCOIRKQOXNE-AWEZNQCLSA-N 0 3 245.391 3.923 20 0 BHADHN C1=C(CN[C@@H]2CCSc3ccccc32)CCC1 ZINC000658292606 411325918 /nfs/dbraw/zinc/32/59/18/411325918.db2.gz ABWUCOIRKQOXNE-CQSZACIVSA-N 0 3 245.391 3.923 20 0 BHADHN Fc1cccc2c1CC[C@@H]2NCC1=CCCC1 ZINC000658292628 411325950 /nfs/dbraw/zinc/32/59/50/411325950.db2.gz BPLKGCHSJPTWAW-HNNXBMFYSA-N 0 3 231.314 3.513 20 0 BHADHN Fc1cccc2c1CC[C@H]2NCC1=CCCC1 ZINC000658292629 411326129 /nfs/dbraw/zinc/32/61/29/411326129.db2.gz BPLKGCHSJPTWAW-OAHLLOKOSA-N 0 3 231.314 3.513 20 0 BHADHN Fc1ccc2c(c1)CC[C@@H]2NCC1=CCCC1 ZINC000658292630 411325458 /nfs/dbraw/zinc/32/54/58/411325458.db2.gz BRULYTGYPXOCGU-HNNXBMFYSA-N 0 3 231.314 3.513 20 0 BHADHN Fc1ccc2c(c1)CC[C@H]2NCC1=CCCC1 ZINC000658292631 411325606 /nfs/dbraw/zinc/32/56/06/411325606.db2.gz BRULYTGYPXOCGU-OAHLLOKOSA-N 0 3 231.314 3.513 20 0 BHADHN C[C@H](NCC1=CCCC1)c1cc(F)cc(F)c1 ZINC000658292679 411326045 /nfs/dbraw/zinc/32/60/45/411326045.db2.gz KHJIXAKWALHSLN-JTQLQIEISA-N 0 3 237.293 3.726 20 0 BHADHN C[C@@H](NCC1=CCCC1)c1cc(F)cc(F)c1 ZINC000658292680 411325888 /nfs/dbraw/zinc/32/58/88/411325888.db2.gz KHJIXAKWALHSLN-SNVBAGLBSA-N 0 3 237.293 3.726 20 0 BHADHN Fc1ccc2c(c1)[C@@H](NCC1=CCCC1)CC2 ZINC000658292682 411325520 /nfs/dbraw/zinc/32/55/20/411325520.db2.gz KXVUZARKKJLNGW-HNNXBMFYSA-N 0 3 231.314 3.513 20 0 BHADHN Fc1ccc2c(c1)[C@H](NCC1=CCCC1)CC2 ZINC000658292683 411325860 /nfs/dbraw/zinc/32/58/60/411325860.db2.gz KXVUZARKKJLNGW-OAHLLOKOSA-N 0 3 231.314 3.513 20 0 BHADHN CCc1ccc([C@@H](C)NCC2=CCCC2)o1 ZINC000658292684 411325359 /nfs/dbraw/zinc/32/53/59/411325359.db2.gz LBZHMATVNQUPSI-LLVKDONJSA-N 0 3 219.328 3.603 20 0 BHADHN CCc1ccc([C@H](C)NCC2=CCCC2)o1 ZINC000658292685 411325381 /nfs/dbraw/zinc/32/53/81/411325381.db2.gz LBZHMATVNQUPSI-NSHDSACASA-N 0 3 219.328 3.603 20 0 BHADHN Cc1nc2c(s1)[C@H](NCC1=CCCC1)CCC2 ZINC000658292695 411325698 /nfs/dbraw/zinc/32/56/98/411325698.db2.gz LQUAJRFROAGVHF-GFCCVEGCSA-N 0 3 248.395 3.529 20 0 BHADHN Cc1nc2c(s1)[C@@H](NCC1=CCCC1)CCC2 ZINC000658292696 411325792 /nfs/dbraw/zinc/32/57/92/411325792.db2.gz LQUAJRFROAGVHF-LBPRGKRZSA-N 0 3 248.395 3.529 20 0 BHADHN C1=C(CN[C@H]2CCCOc3ccccc32)CCC1 ZINC000658292932 411325374 /nfs/dbraw/zinc/32/53/74/411325374.db2.gz PXWFDMLRFMEYHW-HNNXBMFYSA-N 0 3 243.350 3.600 20 0 BHADHN C1=C(CN[C@@H]2CCCOc3ccccc32)CCC1 ZINC000658292934 411325651 /nfs/dbraw/zinc/32/56/51/411325651.db2.gz PXWFDMLRFMEYHW-OAHLLOKOSA-N 0 3 243.350 3.600 20 0 BHADHN COc1ccc([C@@H](C)NCC2=CCCC2)c(F)c1 ZINC000658292969 411325366 /nfs/dbraw/zinc/32/53/66/411325366.db2.gz SQROEVCWLQHSQU-LLVKDONJSA-N 0 3 249.329 3.595 20 0 BHADHN COc1ccc([C@H](C)NCC2=CCCC2)c(F)c1 ZINC000658292970 411325854 /nfs/dbraw/zinc/32/58/54/411325854.db2.gz SQROEVCWLQHSQU-NSHDSACASA-N 0 3 249.329 3.595 20 0 BHADHN Cc1c([C@@H](C)N[C@@]2(C)CC2(C)C)cnn1C(C)C ZINC000658300754 411327005 /nfs/dbraw/zinc/32/70/05/411327005.db2.gz FOKGXKZSEPWEDP-ABAIWWIYSA-N 0 3 249.402 3.612 20 0 BHADHN Cc1c([C@@H](C)N[C@]2(C)CC2(C)C)cnn1C(C)C ZINC000658300755 411326721 /nfs/dbraw/zinc/32/67/21/411326721.db2.gz FOKGXKZSEPWEDP-IAQYHMDHSA-N 0 3 249.402 3.612 20 0 BHADHN Cc1c([C@H](C)N[C@@]2(C)CC2(C)C)cnn1C(C)C ZINC000658300756 411326728 /nfs/dbraw/zinc/32/67/28/411326728.db2.gz FOKGXKZSEPWEDP-NHYWBVRUSA-N 0 3 249.402 3.612 20 0 BHADHN Cc1c([C@H](C)N[C@]2(C)CC2(C)C)cnn1C(C)C ZINC000658300757 411326665 /nfs/dbraw/zinc/32/66/65/411326665.db2.gz FOKGXKZSEPWEDP-XHDPSFHLSA-N 0 3 249.402 3.612 20 0 BHADHN COc1ccsc1[C@@H](C)N[C@]1(C)CC1(C)C ZINC000658302157 411327552 /nfs/dbraw/zinc/32/75/52/411327552.db2.gz LJMVUXCXKPCXAZ-NOZJJQNGSA-N 0 3 239.384 3.596 20 0 BHADHN COc1ccsc1[C@@H](C)N[C@@]1(C)CC1(C)C ZINC000658302159 411327645 /nfs/dbraw/zinc/32/76/45/411327645.db2.gz LJMVUXCXKPCXAZ-RNCFNFMXSA-N 0 3 239.384 3.596 20 0 BHADHN COc1ccsc1[C@H](C)N[C@]1(C)CC1(C)C ZINC000658302160 411327538 /nfs/dbraw/zinc/32/75/38/411327538.db2.gz LJMVUXCXKPCXAZ-TVQRCGJNSA-N 0 3 239.384 3.596 20 0 BHADHN COc1ccsc1[C@H](C)N[C@@]1(C)CC1(C)C ZINC000658302162 411327567 /nfs/dbraw/zinc/32/75/67/411327567.db2.gz LJMVUXCXKPCXAZ-ZANVPECISA-N 0 3 239.384 3.596 20 0 BHADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1cc2cnccc2o1 ZINC000658305429 411329045 /nfs/dbraw/zinc/32/90/45/411329045.db2.gz SQQXUMLMCFHEAP-BMIGLBTASA-N 0 3 244.338 3.667 20 0 BHADHN C[C@H](N[C@@]1(C)CC1(C)C)c1cc2cnccc2o1 ZINC000658305435 411329002 /nfs/dbraw/zinc/32/90/02/411329002.db2.gz SQQXUMLMCFHEAP-BONVTDFDSA-N 0 3 244.338 3.667 20 0 BHADHN C[C@@H](N[C@]1(C)CC1(C)C)c1cc2cnccc2o1 ZINC000658305443 411329054 /nfs/dbraw/zinc/32/90/54/411329054.db2.gz SQQXUMLMCFHEAP-MEBBXXQBSA-N 0 3 244.338 3.667 20 0 BHADHN C[C@H](N[C@]1(C)CC1(C)C)c1cc2cnccc2o1 ZINC000658305449 411328938 /nfs/dbraw/zinc/32/89/38/411328938.db2.gz SQQXUMLMCFHEAP-ZUZCIYMTSA-N 0 3 244.338 3.667 20 0 BHADHN C[C@@H](N[C@]1(C)CC1(C)C)c1ccc(Cl)cn1 ZINC000658306259 411329653 /nfs/dbraw/zinc/32/96/53/411329653.db2.gz WPIAJCCZVXETGP-NOZJJQNGSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1ccc(Cl)cn1 ZINC000658306260 411329666 /nfs/dbraw/zinc/32/96/66/411329666.db2.gz WPIAJCCZVXETGP-RNCFNFMXSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@]1(C)CC1(C)C)c1ccc(Cl)cn1 ZINC000658306261 411329593 /nfs/dbraw/zinc/32/95/93/411329593.db2.gz WPIAJCCZVXETGP-TVQRCGJNSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@]1(C)CC1(C)C)c1ccc(Cl)cn1 ZINC000658306262 411329608 /nfs/dbraw/zinc/32/96/08/411329608.db2.gz WPIAJCCZVXETGP-ZANVPECISA-N 0 3 238.762 3.574 20 0 BHADHN Cc1nc(C)c([C@@H](C)N[C@]2(C)CC2(C)C)s1 ZINC000658306592 411329680 /nfs/dbraw/zinc/32/96/80/411329680.db2.gz FHLBLVQHGHQNKX-NOZJJQNGSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc(C)c([C@@H](C)N[C@@]2(C)CC2(C)C)s1 ZINC000658306593 411329683 /nfs/dbraw/zinc/32/96/83/411329683.db2.gz FHLBLVQHGHQNKX-RNCFNFMXSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc(C)c([C@H](C)N[C@]2(C)CC2(C)C)s1 ZINC000658306594 411329697 /nfs/dbraw/zinc/32/96/97/411329697.db2.gz FHLBLVQHGHQNKX-TVQRCGJNSA-N 0 3 238.400 3.599 20 0 BHADHN Cc1nc(C)c([C@H](C)N[C@@]2(C)CC2(C)C)s1 ZINC000658306595 411329658 /nfs/dbraw/zinc/32/96/58/411329658.db2.gz FHLBLVQHGHQNKX-ZANVPECISA-N 0 3 238.400 3.599 20 0 BHADHN C[C@@H](N[C@]1(C)CC1(C)C)c1ccncc1Cl ZINC000658306679 411329533 /nfs/dbraw/zinc/32/95/33/411329533.db2.gz YVSPHJAVDQNAQI-NOZJJQNGSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1ccncc1Cl ZINC000658306681 411329525 /nfs/dbraw/zinc/32/95/25/411329525.db2.gz YVSPHJAVDQNAQI-RNCFNFMXSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@]1(C)CC1(C)C)c1ccncc1Cl ZINC000658306683 411329529 /nfs/dbraw/zinc/32/95/29/411329529.db2.gz YVSPHJAVDQNAQI-TVQRCGJNSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@]1(C)CC1(C)C)c1ccncc1Cl ZINC000658306684 411329614 /nfs/dbraw/zinc/32/96/14/411329614.db2.gz YVSPHJAVDQNAQI-ZANVPECISA-N 0 3 238.762 3.574 20 0 BHADHN COc1ccccc1[C@@H](C)N[C@@]1(C)CC1(C)C ZINC000658308811 411331047 /nfs/dbraw/zinc/33/10/47/411331047.db2.gz RBENZKUQWKDVLQ-ABAIWWIYSA-N 0 3 233.355 3.534 20 0 BHADHN COc1ccccc1[C@@H](C)N[C@]1(C)CC1(C)C ZINC000658308812 411331036 /nfs/dbraw/zinc/33/10/36/411331036.db2.gz RBENZKUQWKDVLQ-IAQYHMDHSA-N 0 3 233.355 3.534 20 0 BHADHN COc1ccccc1[C@H](C)N[C@@]1(C)CC1(C)C ZINC000658308949 411331044 /nfs/dbraw/zinc/33/10/44/411331044.db2.gz RBENZKUQWKDVLQ-NHYWBVRUSA-N 0 3 233.355 3.534 20 0 BHADHN COc1ccccc1[C@H](C)N[C@]1(C)CC1(C)C ZINC000658308950 411330757 /nfs/dbraw/zinc/33/07/57/411330757.db2.gz RBENZKUQWKDVLQ-XHDPSFHLSA-N 0 3 233.355 3.534 20 0 BHADHN C[C@@H](N[C@]1(C)CC1(C)C)c1ccsc1 ZINC000658309278 411330662 /nfs/dbraw/zinc/33/06/62/411330662.db2.gz ULXYROGBPBSQRH-BXKDBHETSA-N 0 3 209.358 3.587 20 0 BHADHN C[C@H](N[C@@]1(C)CC1(C)C)c1ccsc1 ZINC000658309279 411331009 /nfs/dbraw/zinc/33/10/09/411331009.db2.gz ULXYROGBPBSQRH-CABZTGNLSA-N 0 3 209.358 3.587 20 0 BHADHN C[C@H](N[C@]1(C)CC1(C)C)c1ccsc1 ZINC000658309280 411330651 /nfs/dbraw/zinc/33/06/51/411330651.db2.gz ULXYROGBPBSQRH-JOYOIKCWSA-N 0 3 209.358 3.587 20 0 BHADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1ccsc1 ZINC000658309281 411331006 /nfs/dbraw/zinc/33/10/06/411331006.db2.gz ULXYROGBPBSQRH-SKDRFNHKSA-N 0 3 209.358 3.587 20 0 BHADHN Cc1ccc([C@@H](C)NC2(CC(C)C)CC2)o1 ZINC000658320456 411332576 /nfs/dbraw/zinc/33/25/76/411332576.db2.gz AVTMSBBUPOSIAU-GFCCVEGCSA-N 0 3 221.344 3.817 20 0 BHADHN Cc1ccc([C@H](C)NC2(CC(C)C)CC2)o1 ZINC000658320458 411332291 /nfs/dbraw/zinc/33/22/91/411332291.db2.gz AVTMSBBUPOSIAU-LBPRGKRZSA-N 0 3 221.344 3.817 20 0 BHADHN CC(C)CC1(N[C@@H]2CCCc3occc32)CC1 ZINC000658320604 411332199 /nfs/dbraw/zinc/33/21/99/411332199.db2.gz CTWRERARKTUXMZ-CYBMUJFWSA-N 0 3 233.355 3.825 20 0 BHADHN CC(C)CC1(N[C@H]2CCCc3occc32)CC1 ZINC000658320605 411332457 /nfs/dbraw/zinc/33/24/57/411332457.db2.gz CTWRERARKTUXMZ-ZDUSSCGKSA-N 0 3 233.355 3.825 20 0 BHADHN CC(C)CC1(N[C@H]2CCCc3cccnc32)CC1 ZINC000658320737 411332346 /nfs/dbraw/zinc/33/23/46/411332346.db2.gz FYFMBWGPBOTNJI-AWEZNQCLSA-N 0 3 244.382 3.627 20 0 BHADHN CC(C)CC1(N[C@@H]2CCCc3cccnc32)CC1 ZINC000658320738 411332171 /nfs/dbraw/zinc/33/21/71/411332171.db2.gz FYFMBWGPBOTNJI-CQSZACIVSA-N 0 3 244.382 3.627 20 0 BHADHN CCc1cccnc1[C@@H](C)NC1(CC(C)C)CC1 ZINC000658320773 411332250 /nfs/dbraw/zinc/33/22/50/411332250.db2.gz HHEPCHWNUNXNEJ-CYBMUJFWSA-N 0 3 246.398 3.873 20 0 BHADHN CCc1cccnc1[C@H](C)NC1(CC(C)C)CC1 ZINC000658320774 411332058 /nfs/dbraw/zinc/33/20/58/411332058.db2.gz HHEPCHWNUNXNEJ-ZDUSSCGKSA-N 0 3 246.398 3.873 20 0 BHADHN Cc1ncc([C@H](C)NC2(CC(C)C)CC2)s1 ZINC000658321378 411333389 /nfs/dbraw/zinc/33/33/89/411333389.db2.gz POVNGRFBYJEVHT-JTQLQIEISA-N 0 3 238.400 3.681 20 0 BHADHN Cc1ncc([C@@H](C)NC2(CC(C)C)CC2)s1 ZINC000658321379 411333474 /nfs/dbraw/zinc/33/34/74/411333474.db2.gz POVNGRFBYJEVHT-SNVBAGLBSA-N 0 3 238.400 3.681 20 0 BHADHN CC(C)CC1(N[C@H](C)c2ccco2)CC1 ZINC000658321449 411333203 /nfs/dbraw/zinc/33/32/03/411333203.db2.gz RSDQAMLNJCPKRU-LLVKDONJSA-N 0 3 207.317 3.509 20 0 BHADHN CC(C)CC1(N[C@@H](C)c2ccco2)CC1 ZINC000658321450 411333716 /nfs/dbraw/zinc/33/37/16/411333716.db2.gz RSDQAMLNJCPKRU-NSHDSACASA-N 0 3 207.317 3.509 20 0 BHADHN CC(C)CC1(N[C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000658321491 411333397 /nfs/dbraw/zinc/33/33/97/411333397.db2.gz SCLCKDSVLXRBIO-CYBMUJFWSA-N 0 3 249.402 3.693 20 0 BHADHN CC(C)CC1(N[C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000658321492 411333139 /nfs/dbraw/zinc/33/31/39/411333139.db2.gz SCLCKDSVLXRBIO-ZDUSSCGKSA-N 0 3 249.402 3.693 20 0 BHADHN CC(C)CC1(N[C@H](C)c2ccoc2)CC1 ZINC000658321791 411333854 /nfs/dbraw/zinc/33/38/54/411333854.db2.gz WLELKVJTOBPIIV-LLVKDONJSA-N 0 3 207.317 3.509 20 0 BHADHN CC(C)CC1(N[C@@H](C)c2ccoc2)CC1 ZINC000658321792 411333196 /nfs/dbraw/zinc/33/31/96/411333196.db2.gz WLELKVJTOBPIIV-NSHDSACASA-N 0 3 207.317 3.509 20 0 BHADHN Cc1cc([C@@H](C)NCCCc2ccco2)oc1C ZINC000658326213 411335020 /nfs/dbraw/zinc/33/50/20/411335020.db2.gz YMVWIISQLLYPOK-GFCCVEGCSA-N 0 3 247.338 3.773 20 0 BHADHN Cc1cc([C@H](C)NCCCc2ccco2)oc1C ZINC000658326220 411334526 /nfs/dbraw/zinc/33/45/26/411334526.db2.gz YMVWIISQLLYPOK-LBPRGKRZSA-N 0 3 247.338 3.773 20 0 BHADHN CCc1ccc([C@@H](C)NCCCc2ccco2)o1 ZINC000658327540 411336275 /nfs/dbraw/zinc/33/62/75/411336275.db2.gz OPGFRAKUUPPAIF-GFCCVEGCSA-N 0 3 247.338 3.718 20 0 BHADHN CCc1ccc([C@H](C)NCCCc2ccco2)o1 ZINC000658327543 411336316 /nfs/dbraw/zinc/33/63/16/411336316.db2.gz OPGFRAKUUPPAIF-LBPRGKRZSA-N 0 3 247.338 3.718 20 0 BHADHN C[C@@H](NC1CC(C)(C)C1)c1ccncc1Cl ZINC000658346474 487589355 /nfs/dbraw/zinc/58/93/55/487589355.db2.gz IBPUVSJGCBVXEJ-SECBINFHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](NC1CC(C)(C)C1)c1ccncc1Cl ZINC000658346476 487589554 /nfs/dbraw/zinc/58/95/54/487589554.db2.gz IBPUVSJGCBVXEJ-VIFPVBQESA-N 0 3 238.762 3.574 20 0 BHADHN COc1cccc([C@@H]2CCCN2CC=C(C)C)c1 ZINC000658691536 411359814 /nfs/dbraw/zinc/35/98/14/411359814.db2.gz ULWVGZFEEPZRSE-INIZCTEOSA-N 0 3 245.366 3.798 20 0 BHADHN COc1cccc([C@H]2CCCN2CC=C(C)C)c1 ZINC000658691537 411359597 /nfs/dbraw/zinc/35/95/97/411359597.db2.gz ULWVGZFEEPZRSE-MRXNPFEDSA-N 0 3 245.366 3.798 20 0 BHADHN CC(C)=CCCN1CCC[C@H](C(F)(F)F)C1 ZINC000659812625 411460560 /nfs/dbraw/zinc/46/05/60/411460560.db2.gz CBIAKHHAKOUEPA-NSHDSACASA-N 0 3 235.293 3.617 20 0 BHADHN CN(Cc1cc(C2CC2)no1)CC1CCCCC1 ZINC000659812724 411299876 /nfs/dbraw/zinc/29/98/76/411299876.db2.gz NAZYTSNILKLIEZ-UHFFFAOYSA-N 0 3 248.370 3.564 20 0 BHADHN CCCCN(CCCC)Cc1nc(C)oc1C ZINC000659815578 411461499 /nfs/dbraw/zinc/46/14/99/411461499.db2.gz GYSMPGVKQWMKEH-UHFFFAOYSA-N 0 3 238.375 3.694 20 0 BHADHN CN(Cc1cc(C2CC2)no1)C1CCCCCC1 ZINC000659815974 411461830 /nfs/dbraw/zinc/46/18/30/411461830.db2.gz MWOFUXAXULPBIL-UHFFFAOYSA-N 0 3 248.370 3.707 20 0 BHADHN CN(Cc1ccc(Cl)s1)CC1CC=CC1 ZINC000659817787 411462422 /nfs/dbraw/zinc/46/24/22/411462422.db2.gz PHZWQHZFHGMUDI-UHFFFAOYSA-N 0 3 241.787 3.800 20 0 BHADHN CC(C)=CCCN(C)Cc1ccsc1 ZINC000659821014 411463300 /nfs/dbraw/zinc/46/33/00/411463300.db2.gz LIWAIDXVUPMLKX-UHFFFAOYSA-N 0 3 209.358 3.536 20 0 BHADHN CN(Cc1ccsc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000659822287 411305289 /nfs/dbraw/zinc/30/52/89/411305289.db2.gz RZIOIGIVONGMGE-HUUCEWRRSA-N 0 3 243.375 3.736 20 0 BHADHN CC1CCC(N(C)Cc2cc(C3CC3)no2)CC1 ZINC000659822391 411463891 /nfs/dbraw/zinc/46/38/91/411463891.db2.gz STVFDJRAZLGHBD-UHFFFAOYSA-N 0 3 248.370 3.563 20 0 BHADHN CN(Cc1nsc2ccccc21)C1CCCC1 ZINC000659824851 411307917 /nfs/dbraw/zinc/30/79/17/411307917.db2.gz YVEMBWDEZTVSHF-UHFFFAOYSA-N 0 3 246.379 3.671 20 0 BHADHN CC(C)[C@@H](C)N(C)Cc1nsc2ccccc21 ZINC000659825154 411464255 /nfs/dbraw/zinc/46/42/55/411464255.db2.gz ORFHWWRXGBLCST-LLVKDONJSA-N 0 3 248.395 3.773 20 0 BHADHN CC(C)[C@H](C)N(C)Cc1nsc2ccccc21 ZINC000659825155 411464394 /nfs/dbraw/zinc/46/43/94/411464394.db2.gz ORFHWWRXGBLCST-NSHDSACASA-N 0 3 248.395 3.773 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1nsc2ccccc21 ZINC000659825487 411308014 /nfs/dbraw/zinc/30/80/14/411308014.db2.gz BDGMEXDOSXGPQV-JTQLQIEISA-N 0 3 246.379 3.527 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1nsc2ccccc21 ZINC000659825488 411307991 /nfs/dbraw/zinc/30/79/91/411307991.db2.gz BDGMEXDOSXGPQV-SNVBAGLBSA-N 0 3 246.379 3.527 20 0 BHADHN CC(C)=CCCN(C)Cc1cccs1 ZINC000659826515 411309389 /nfs/dbraw/zinc/30/93/89/411309389.db2.gz MRJULOSMICPDPE-UHFFFAOYSA-N 0 3 209.358 3.536 20 0 BHADHN CC[C@H](CC(F)F)CN(C)Cc1ccc(C)o1 ZINC000659826897 411465276 /nfs/dbraw/zinc/46/52/76/411465276.db2.gz LFRFROTYYXYZHR-LLVKDONJSA-N 0 3 245.313 3.701 20 0 BHADHN CC[C@@H](CC(F)F)CN(C)Cc1ccc(C)o1 ZINC000659826898 411465682 /nfs/dbraw/zinc/46/56/82/411465682.db2.gz LFRFROTYYXYZHR-NSHDSACASA-N 0 3 245.313 3.701 20 0 BHADHN c1ccc2c(CN3CCCCCC3)nsc2c1 ZINC000659832170 411468015 /nfs/dbraw/zinc/46/80/15/411468015.db2.gz NYKTYVZEJZRXCK-UHFFFAOYSA-N 0 3 246.379 3.672 20 0 BHADHN CSc1cccc(CN2C3CCC2CC3)c1 ZINC000659835667 487785558 /nfs/dbraw/zinc/78/55/58/487785558.db2.gz NUDBRSJKSLBIQH-UHFFFAOYSA-N 0 3 233.380 3.535 20 0 BHADHN CCC[C@@H](C)N(C)Cc1nsc2ccccc21 ZINC000659835700 411470126 /nfs/dbraw/zinc/47/01/26/411470126.db2.gz GPHQQYVAHYCJOF-LLVKDONJSA-N 0 3 248.395 3.917 20 0 BHADHN CCC[C@H](C)N(C)Cc1nsc2ccccc21 ZINC000659835701 411469892 /nfs/dbraw/zinc/46/98/92/411469892.db2.gz GPHQQYVAHYCJOF-NSHDSACASA-N 0 3 248.395 3.917 20 0 BHADHN CCC(CC)CN(CC)Cc1nc(C)oc1C ZINC000659840067 411472205 /nfs/dbraw/zinc/47/22/05/411472205.db2.gz ZKCOYIVXQVUOCJ-UHFFFAOYSA-N 0 3 238.375 3.550 20 0 BHADHN CCN(Cc1cc(C2CC2)no1)C1CCCCC1 ZINC000659840532 411327923 /nfs/dbraw/zinc/32/79/23/411327923.db2.gz IPJCXTROONDXKW-UHFFFAOYSA-N 0 3 248.370 3.707 20 0 BHADHN C[C@H]1CCC[C@H](N(C)Cc2cc(C3CC3)no2)C1 ZINC000659841260 411472415 /nfs/dbraw/zinc/47/24/15/411472415.db2.gz ARSFYUWUKPADIM-AAEUAGOBSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCC[C@@H](N(C)Cc2cc(C3CC3)no2)C1 ZINC000659841261 411472424 /nfs/dbraw/zinc/47/24/24/411472424.db2.gz ARSFYUWUKPADIM-DGCLKSJQSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@H]1CCC[C@@H](N(C)Cc2cc(C3CC3)no2)C1 ZINC000659841262 411472728 /nfs/dbraw/zinc/47/27/28/411472728.db2.gz ARSFYUWUKPADIM-WCQYABFASA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCC[C@H](N(C)Cc2cc(C3CC3)no2)C1 ZINC000659841263 411472309 /nfs/dbraw/zinc/47/23/09/411472309.db2.gz ARSFYUWUKPADIM-YPMHNXCESA-N 0 3 248.370 3.563 20 0 BHADHN CC(C)[C@@H](C)N(Cc1cc(C2CC2)no1)C1CC1 ZINC000659841914 411473219 /nfs/dbraw/zinc/47/32/19/411473219.db2.gz JHFSOTBIADNGBT-LLVKDONJSA-N 0 3 248.370 3.561 20 0 BHADHN CC(C)[C@H](C)N(Cc1cc(C2CC2)no1)C1CC1 ZINC000659841915 411473645 /nfs/dbraw/zinc/47/36/45/411473645.db2.gz JHFSOTBIADNGBT-NSHDSACASA-N 0 3 248.370 3.561 20 0 BHADHN CCc1nocc1CN(C1CC1)C1CCCCC1 ZINC000659842656 541458361 /nfs/dbraw/zinc/45/83/61/541458361.db2.gz SFOCJORCAHYDFY-UHFFFAOYSA-N 0 3 248.370 3.534 20 0 BHADHN CN(CCSc1cccc(Cl)c1)C1CC1 ZINC000659842794 411335050 /nfs/dbraw/zinc/33/50/50/411335050.db2.gz USQPAVXTRYEKTK-UHFFFAOYSA-N 0 3 241.787 3.526 20 0 BHADHN CC(C)CCN(Cc1cc(C2CC2)no1)C1CC1 ZINC000659842841 411473306 /nfs/dbraw/zinc/47/33/06/411473306.db2.gz VTCBFWIOHQCHSY-UHFFFAOYSA-N 0 3 248.370 3.563 20 0 BHADHN Cc1cc([C@@H]2CCCN2CCCC2CCC2)on1 ZINC000659844855 411474410 /nfs/dbraw/zinc/47/44/10/411474410.db2.gz GHLRJGWXPNRNHG-AWEZNQCLSA-N 0 3 248.370 3.700 20 0 BHADHN Cc1cc([C@H]2CCCN2CCCC2CCC2)on1 ZINC000659844857 411475015 /nfs/dbraw/zinc/47/50/15/411475015.db2.gz GHLRJGWXPNRNHG-CQSZACIVSA-N 0 3 248.370 3.700 20 0 BHADHN CC(C)=CCCN(Cc1ccccn1)C(C)C ZINC000659848837 411341065 /nfs/dbraw/zinc/34/10/65/411341065.db2.gz MDRCOFZLJDQOOQ-UHFFFAOYSA-N 0 3 232.371 3.648 20 0 BHADHN CC[C@H](CC(F)F)CN(C)Cc1ccoc1C ZINC000659851905 411476827 /nfs/dbraw/zinc/47/68/27/411476827.db2.gz INYOADVBXIZLCW-LLVKDONJSA-N 0 3 245.313 3.701 20 0 BHADHN CC[C@@H](CC(F)F)CN(C)Cc1ccoc1C ZINC000659851910 411477535 /nfs/dbraw/zinc/47/75/35/411477535.db2.gz INYOADVBXIZLCW-NSHDSACASA-N 0 3 245.313 3.701 20 0 BHADHN CC(C)=CCCN(C)[C@H](C)c1ccco1 ZINC000659858148 411480126 /nfs/dbraw/zinc/48/01/26/411480126.db2.gz UFIKYINGQQGCBX-GFCCVEGCSA-N 0 3 207.317 3.629 20 0 BHADHN CC(C)=CCCN(C)[C@@H](C)c1ccco1 ZINC000659858150 411479857 /nfs/dbraw/zinc/47/98/57/411479857.db2.gz UFIKYINGQQGCBX-LBPRGKRZSA-N 0 3 207.317 3.629 20 0 BHADHN CC(C)C[C@H]1CCCN1Cc1cc(C2CC2)no1 ZINC000659864736 411353658 /nfs/dbraw/zinc/35/36/58/411353658.db2.gz NFHUOPXIVWJPIG-CYBMUJFWSA-N 0 3 248.370 3.563 20 0 BHADHN CC(C)C[C@@H]1CCCN1Cc1cc(C2CC2)no1 ZINC000659864737 411353548 /nfs/dbraw/zinc/35/35/48/411353548.db2.gz NFHUOPXIVWJPIG-ZDUSSCGKSA-N 0 3 248.370 3.563 20 0 BHADHN CCN(CCCC1CCC1)CCC(F)(F)F ZINC000659868605 411482763 /nfs/dbraw/zinc/48/27/63/411482763.db2.gz PNGDAXSVNBGOCA-UHFFFAOYSA-N 0 3 237.309 3.841 20 0 BHADHN CCN(CCC=C(C)C)CCC(F)(F)F ZINC000659869541 411484089 /nfs/dbraw/zinc/48/40/89/411484089.db2.gz WHXCXXHERXGYKS-UHFFFAOYSA-N 0 3 223.282 3.617 20 0 BHADHN CCC1(C)CCN(Cc2cc(C3CC3)no2)CC1 ZINC000659869556 411355218 /nfs/dbraw/zinc/35/52/18/411355218.db2.gz YDWCTRUUGHLOBK-UHFFFAOYSA-N 0 3 248.370 3.564 20 0 BHADHN CCC(CC)N(Cc1cc(C2CC2)no1)C1CC1 ZINC000659870535 411485068 /nfs/dbraw/zinc/48/50/68/411485068.db2.gz KBWUHSRZXNJEKT-UHFFFAOYSA-N 0 3 248.370 3.705 20 0 BHADHN CC[C@@H]1CCCN1Cc1nsc2ccccc21 ZINC000659872321 411355869 /nfs/dbraw/zinc/35/58/69/411355869.db2.gz BBWREJGDOBMMDS-LLVKDONJSA-N 0 3 246.379 3.671 20 0 BHADHN CC[C@H]1CCCN1Cc1nsc2ccccc21 ZINC000659872322 411356632 /nfs/dbraw/zinc/35/66/32/411356632.db2.gz BBWREJGDOBMMDS-NSHDSACASA-N 0 3 246.379 3.671 20 0 BHADHN Cc1nc(CNC(C)(C)CC(C)(C)C)c(C)o1 ZINC000659872336 411484526 /nfs/dbraw/zinc/48/45/26/411484526.db2.gz BIVGFBBTXIKMMJ-UHFFFAOYSA-N 0 3 238.375 3.596 20 0 BHADHN CCc1nocc1CNC(C)(C)CC(C)(C)C ZINC000659873375 411486535 /nfs/dbraw/zinc/48/65/35/411486535.db2.gz NSRXZJTZVCDTFY-UHFFFAOYSA-N 0 3 238.375 3.541 20 0 BHADHN CC1(C)CCCN1Cc1nsc2ccccc21 ZINC000659878397 411488428 /nfs/dbraw/zinc/48/84/28/411488428.db2.gz ZSEKVHIUXPFFGF-UHFFFAOYSA-N 0 3 246.379 3.671 20 0 BHADHN CC(C)(C)[C@@H]1CCCN1Cc1cc(C2CC2)no1 ZINC000659880512 411489271 /nfs/dbraw/zinc/48/92/71/411489271.db2.gz OVWZZGRLTFCNSH-AWEZNQCLSA-N 0 3 248.370 3.563 20 0 BHADHN CC(C)(C)[C@H]1CCCN1Cc1cc(C2CC2)no1 ZINC000659880513 411489260 /nfs/dbraw/zinc/48/92/60/411489260.db2.gz OVWZZGRLTFCNSH-CQSZACIVSA-N 0 3 248.370 3.563 20 0 BHADHN CC[C@H](CC(F)F)CN1Cc2ccccc2C1 ZINC000659904302 411492428 /nfs/dbraw/zinc/49/24/28/411492428.db2.gz MVELXXWHFWUAPE-LLVKDONJSA-N 0 3 239.309 3.684 20 0 BHADHN CC[C@@H](CC(F)F)CN1Cc2ccccc2C1 ZINC000659904305 411492526 /nfs/dbraw/zinc/49/25/26/411492526.db2.gz MVELXXWHFWUAPE-NSHDSACASA-N 0 3 239.309 3.684 20 0 BHADHN CCN(Cc1nsc2ccccc21)CC1CC1 ZINC000659920821 411382322 /nfs/dbraw/zinc/38/23/22/411382322.db2.gz NHTAVZBIVFHKAH-UHFFFAOYSA-N 0 3 246.379 3.528 20 0 BHADHN CC[C@@H]1CCCN(Cc2cc(C3CC3)no2)CC1 ZINC000659934142 411386076 /nfs/dbraw/zinc/38/60/76/411386076.db2.gz BOWJTMHNSYCJKB-GFCCVEGCSA-N 0 3 248.370 3.564 20 0 BHADHN CC[C@H]1CCCN(Cc2cc(C3CC3)no2)CC1 ZINC000659934143 411385928 /nfs/dbraw/zinc/38/59/28/411385928.db2.gz BOWJTMHNSYCJKB-LBPRGKRZSA-N 0 3 248.370 3.564 20 0 BHADHN CC(C)[C@@H]1CCCCN1Cc1cc(C2CC2)no1 ZINC000659936086 411387678 /nfs/dbraw/zinc/38/76/78/411387678.db2.gz NSGXJCZNKJJOCG-HNNXBMFYSA-N 0 3 248.370 3.563 20 0 BHADHN CC(C)[C@H]1CCCCN1Cc1cc(C2CC2)no1 ZINC000659936095 411387209 /nfs/dbraw/zinc/38/72/09/411387209.db2.gz NSGXJCZNKJJOCG-OAHLLOKOSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2nsc3ccccc32)C1 ZINC000659946239 411507580 /nfs/dbraw/zinc/50/75/80/411507580.db2.gz FGQNGAJFNGBRBB-GHMZBOCLSA-N 0 3 246.379 3.527 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2nsc3ccccc32)C1 ZINC000659946241 411507236 /nfs/dbraw/zinc/50/72/36/411507236.db2.gz FGQNGAJFNGBRBB-MNOVXSKESA-N 0 3 246.379 3.527 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2nsc3ccccc32)C1 ZINC000659946243 411506971 /nfs/dbraw/zinc/50/69/71/411506971.db2.gz FGQNGAJFNGBRBB-QWRGUYRKSA-N 0 3 246.379 3.527 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1nsc2ccccc21 ZINC000659946245 411506984 /nfs/dbraw/zinc/50/69/84/411506984.db2.gz FGQNGAJFNGBRBB-WDEREUQCSA-N 0 3 246.379 3.527 20 0 BHADHN CC[C@@H]1CCCCCN1Cc1cc(C2CC2)no1 ZINC000659949865 411508602 /nfs/dbraw/zinc/50/86/02/411508602.db2.gz ZTDWMVMHLZKVKF-CYBMUJFWSA-N 0 3 248.370 3.707 20 0 BHADHN CC[C@H]1CCCCCN1Cc1cc(C2CC2)no1 ZINC000659949866 411508538 /nfs/dbraw/zinc/50/85/38/411508538.db2.gz ZTDWMVMHLZKVKF-ZDUSSCGKSA-N 0 3 248.370 3.707 20 0 BHADHN C[C@@H]1CCC[C@H](C)N(Cc2cc(C3CC3)no2)C1 ZINC000659951940 411509718 /nfs/dbraw/zinc/50/97/18/411509718.db2.gz JOROPAZAEIMHGF-NEPJUHHUSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCC[C@H](C)CN1Cc1cc(C2CC2)no1 ZINC000659951941 411509951 /nfs/dbraw/zinc/50/99/51/411509951.db2.gz JOROPAZAEIMHGF-NWDGAFQWSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@H]1CCC[C@H](C)N(Cc2cc(C3CC3)no2)C1 ZINC000659951942 411509745 /nfs/dbraw/zinc/50/97/45/411509745.db2.gz JOROPAZAEIMHGF-RYUDHWBXSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCC[C@@H](C)N(Cc2cc(C3CC3)no2)C1 ZINC000659951943 411509406 /nfs/dbraw/zinc/50/94/06/411509406.db2.gz JOROPAZAEIMHGF-VXGBXAGGSA-N 0 3 248.370 3.563 20 0 BHADHN CC1(C)CCCN(Cc2cc(C3CC3)no2)CC1 ZINC000659954433 411510677 /nfs/dbraw/zinc/51/06/77/411510677.db2.gz HGRKQPKHEZKWOM-UHFFFAOYSA-N 0 3 248.370 3.564 20 0 BHADHN CC(C)=CCCN1CCC(C(F)(F)F)CC1 ZINC000659975467 411502253 /nfs/dbraw/zinc/50/22/53/411502253.db2.gz LTNYNNCOEHLQCA-UHFFFAOYSA-N 0 3 235.293 3.617 20 0 BHADHN CC[C@@]1(C)CCCN(Cc2cc(C3CC3)no2)C1 ZINC000659977151 411516739 /nfs/dbraw/zinc/51/67/39/411516739.db2.gz VXSREFDRRIBRSC-HNNXBMFYSA-N 0 3 248.370 3.564 20 0 BHADHN CC[C@]1(C)CCCN(Cc2cc(C3CC3)no2)C1 ZINC000659977152 411517328 /nfs/dbraw/zinc/51/73/28/411517328.db2.gz VXSREFDRRIBRSC-OAHLLOKOSA-N 0 3 248.370 3.564 20 0 BHADHN FC(F)(F)C1CCN(CCCC2CCC2)CC1 ZINC000659977393 411516083 /nfs/dbraw/zinc/51/60/83/411516083.db2.gz XMHFYLJRAZKGLD-UHFFFAOYSA-N 0 3 249.320 3.841 20 0 BHADHN CCC(CC)N(Cc1coc(C)n1)CC(C)C ZINC000659984755 411519842 /nfs/dbraw/zinc/51/98/42/411519842.db2.gz SYDCWJFBZUDCEI-UHFFFAOYSA-N 0 3 238.375 3.630 20 0 BHADHN C[C@@H]1CCN(Cc2nsc3ccccc32)[C@@H]1C ZINC000659984798 411519620 /nfs/dbraw/zinc/51/96/20/411519620.db2.gz VFGNMZDVHWDMRN-GHMZBOCLSA-N 0 3 246.379 3.527 20 0 BHADHN C[C@@H]1CCN(Cc2nsc3ccccc32)[C@H]1C ZINC000659984799 411519075 /nfs/dbraw/zinc/51/90/75/411519075.db2.gz VFGNMZDVHWDMRN-MNOVXSKESA-N 0 3 246.379 3.527 20 0 BHADHN C[C@H]1CCN(Cc2nsc3ccccc32)[C@H]1C ZINC000659984800 411155501 /nfs/dbraw/zinc/15/55/01/411155501.db2.gz VFGNMZDVHWDMRN-QWRGUYRKSA-N 0 3 246.379 3.527 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1nsc2ccccc21 ZINC000659984801 411155122 /nfs/dbraw/zinc/15/51/22/411155122.db2.gz VFGNMZDVHWDMRN-WDEREUQCSA-N 0 3 246.379 3.527 20 0 BHADHN Fc1cccc([C@@H]2CCN2CC2CC=CC2)c1 ZINC000659986257 411156968 /nfs/dbraw/zinc/15/69/68/411156968.db2.gz ICVPFNQWXIOCLO-HNNXBMFYSA-N 0 3 231.314 3.539 20 0 BHADHN Fc1cccc([C@H]2CCN2CC2CC=CC2)c1 ZINC000659986258 411157706 /nfs/dbraw/zinc/15/77/06/411157706.db2.gz ICVPFNQWXIOCLO-OAHLLOKOSA-N 0 3 231.314 3.539 20 0 BHADHN CC(C)=CCCN1CC[C@H]1c1cccc(F)c1 ZINC000659987410 411521280 /nfs/dbraw/zinc/52/12/80/411521280.db2.gz YRSIQJJEBMARKQ-HNNXBMFYSA-N 0 3 233.330 3.929 20 0 BHADHN CC(C)=CCCN1CC[C@@H]1c1cccc(F)c1 ZINC000659987411 411521694 /nfs/dbraw/zinc/52/16/94/411521694.db2.gz YRSIQJJEBMARKQ-OAHLLOKOSA-N 0 3 233.330 3.929 20 0 BHADHN CC[N@@H+](CC1CC=CC1)[C@H](C)c1cccc([O-])c1 ZINC000659987484 411520859 /nfs/dbraw/zinc/52/08/59/411520859.db2.gz KAKQSKLNHLCHCX-CYBMUJFWSA-N 0 3 245.366 3.741 20 0 BHADHN CC[N@H+](CC1CC=CC1)[C@H](C)c1cccc([O-])c1 ZINC000659987484 411520857 /nfs/dbraw/zinc/52/08/57/411520857.db2.gz KAKQSKLNHLCHCX-CYBMUJFWSA-N 0 3 245.366 3.741 20 0 BHADHN CC[N@@H+](CC1CC=CC1)[C@@H](C)c1cccc([O-])c1 ZINC000659987485 411521386 /nfs/dbraw/zinc/52/13/86/411521386.db2.gz KAKQSKLNHLCHCX-ZDUSSCGKSA-N 0 3 245.366 3.741 20 0 BHADHN CC[N@H+](CC1CC=CC1)[C@@H](C)c1cccc([O-])c1 ZINC000659987485 411521385 /nfs/dbraw/zinc/52/13/85/411521385.db2.gz KAKQSKLNHLCHCX-ZDUSSCGKSA-N 0 3 245.366 3.741 20 0 BHADHN CCC1(CC)CCN(Cc2cc(C3CC3)no2)C1 ZINC000659997266 411524412 /nfs/dbraw/zinc/52/44/12/411524412.db2.gz SAANEVCYGOQYHT-UHFFFAOYSA-N 0 3 248.370 3.564 20 0 BHADHN CC[C@@H]1CCN(Cc2nsc3ccccc32)C1 ZINC000659998125 411161582 /nfs/dbraw/zinc/16/15/82/411161582.db2.gz XXOWRMSDXBUNCO-LLVKDONJSA-N 0 3 246.379 3.528 20 0 BHADHN CC[C@H]1CCN(Cc2nsc3ccccc32)C1 ZINC000659998126 411162315 /nfs/dbraw/zinc/16/23/15/411162315.db2.gz XXOWRMSDXBUNCO-NSHDSACASA-N 0 3 246.379 3.528 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1nsc2ccccc21 ZINC000659999647 411163103 /nfs/dbraw/zinc/16/31/03/411163103.db2.gz CZBFHOAPZJPJOS-GHMZBOCLSA-N 0 3 246.379 3.669 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1nsc2ccccc21 ZINC000659999649 411162748 /nfs/dbraw/zinc/16/27/48/411162748.db2.gz CZBFHOAPZJPJOS-PHIMTYICSA-N 0 3 246.379 3.669 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1nsc2ccccc21 ZINC000659999651 411163792 /nfs/dbraw/zinc/16/37/92/411163792.db2.gz CZBFHOAPZJPJOS-QWRGUYRKSA-N 0 3 246.379 3.669 20 0 BHADHN CCC[C@@H]1CCCN(Cc2cc(C3CC3)no2)C1 ZINC000659999972 411525169 /nfs/dbraw/zinc/52/51/69/411525169.db2.gz JTLIFRYTUMODBG-GFCCVEGCSA-N 0 3 248.370 3.564 20 0 BHADHN CCC[C@H]1CCCN(Cc2cc(C3CC3)no2)C1 ZINC000659999973 411525450 /nfs/dbraw/zinc/52/54/50/411525450.db2.gz JTLIFRYTUMODBG-LBPRGKRZSA-N 0 3 248.370 3.564 20 0 BHADHN Cc1nc(CN(C(C)C)C2CCCCC2)co1 ZINC000660055495 411531429 /nfs/dbraw/zinc/53/14/29/411531429.db2.gz GQMNLYNXKGJKNS-UHFFFAOYSA-N 0 3 236.359 3.526 20 0 BHADHN CC(C)N(Cc1cc(C2CC2)no1)C1CCCC1 ZINC000660062891 411532495 /nfs/dbraw/zinc/53/24/95/411532495.db2.gz ZOVTUDAORYRITB-UHFFFAOYSA-N 0 3 248.370 3.705 20 0 BHADHN CC[C@H](C)N(C)Cc1cccc(OC)c1Cl ZINC000660063572 411532707 /nfs/dbraw/zinc/53/27/07/411532707.db2.gz OAZYFIBOKRCBDB-JTQLQIEISA-N 0 3 241.762 3.579 20 0 BHADHN CC[C@@H](C)N(C)Cc1cccc(OC)c1Cl ZINC000660063573 411532700 /nfs/dbraw/zinc/53/27/00/411532700.db2.gz OAZYFIBOKRCBDB-SNVBAGLBSA-N 0 3 241.762 3.579 20 0 BHADHN CC(C)(NCCCC1CCC1)c1nccs1 ZINC000660074464 411533306 /nfs/dbraw/zinc/53/33/06/411533306.db2.gz NOQPUWSGYDGRKG-UHFFFAOYSA-N 0 3 238.400 3.548 20 0 BHADHN CC(C)=CCCNC(C)(C)c1nc(C)cs1 ZINC000660074990 411533527 /nfs/dbraw/zinc/53/35/27/411533527.db2.gz UAUCAHMLQVHBKE-UHFFFAOYSA-N 0 3 238.400 3.633 20 0 BHADHN CCC(C)(C)N(C)Cc1nsc2ccccc21 ZINC000660075279 411533278 /nfs/dbraw/zinc/53/32/78/411533278.db2.gz ZQVFUUNDGBBXDR-UHFFFAOYSA-N 0 3 248.395 3.917 20 0 BHADHN C[C@H](NCc1nsc2ccccc12)C(C)(C)C ZINC000660076758 411534012 /nfs/dbraw/zinc/53/40/12/411534012.db2.gz OORFKMAGTOVBCY-JTQLQIEISA-N 0 3 248.395 3.821 20 0 BHADHN C[C@@H](NCc1nsc2ccccc12)C(C)(C)C ZINC000660076759 411534081 /nfs/dbraw/zinc/53/40/81/411534081.db2.gz OORFKMAGTOVBCY-SNVBAGLBSA-N 0 3 248.395 3.821 20 0 BHADHN CC[C@@](C)(NCCC=C(C)C)c1nccs1 ZINC000660079163 411534651 /nfs/dbraw/zinc/53/46/51/411534651.db2.gz ALGCXLVAPULZIH-CYBMUJFWSA-N 0 3 238.400 3.714 20 0 BHADHN CC[C@](C)(NCCC=C(C)C)c1nccs1 ZINC000660079164 411534067 /nfs/dbraw/zinc/53/40/67/411534067.db2.gz ALGCXLVAPULZIH-ZDUSSCGKSA-N 0 3 238.400 3.714 20 0 BHADHN CC[C@@](C)(NCCC1CCC1)c1nccs1 ZINC000660079749 411534952 /nfs/dbraw/zinc/53/49/52/411534952.db2.gz RLKDCFYLVHBLBZ-CYBMUJFWSA-N 0 3 238.400 3.548 20 0 BHADHN CC[C@](C)(NCCC1CCC1)c1nccs1 ZINC000660079750 411534059 /nfs/dbraw/zinc/53/40/59/411534059.db2.gz RLKDCFYLVHBLBZ-ZDUSSCGKSA-N 0 3 238.400 3.548 20 0 BHADHN CCC(CC)(CC)NCc1cc(C2CC2)no1 ZINC000660081684 411535206 /nfs/dbraw/zinc/53/52/06/411535206.db2.gz ODMXSKROFIABPX-UHFFFAOYSA-N 0 3 236.359 3.610 20 0 BHADHN CSc1cccc(CN2CC=C(C)CC2)c1 ZINC000660127796 411542422 /nfs/dbraw/zinc/54/24/22/411542422.db2.gz PTGIDIFRTPIHBP-UHFFFAOYSA-N 0 3 233.380 3.561 20 0 BHADHN CC(C)=CCCN1CC=C(C(F)(F)F)CC1 ZINC000660129261 411542268 /nfs/dbraw/zinc/54/22/68/411542268.db2.gz FYGVKEIVXRTRJW-UHFFFAOYSA-N 0 3 233.277 3.537 20 0 BHADHN Cc1nc(CN2CCCC23CCCCC3)c(C)o1 ZINC000660134340 411542680 /nfs/dbraw/zinc/54/26/80/411542680.db2.gz YBLQWFGUZUNZDC-UHFFFAOYSA-N 0 3 248.370 3.590 20 0 BHADHN c1cc(CN(CCCC2CCC2)C2CC2)ccn1 ZINC000660137563 411543693 /nfs/dbraw/zinc/54/36/93/411543693.db2.gz KUHNKTKYMXOFKF-UHFFFAOYSA-N 0 3 244.382 3.626 20 0 BHADHN c1cncc(CN(CCCC2CCC2)C2CC2)c1 ZINC000660138494 411543709 /nfs/dbraw/zinc/54/37/09/411543709.db2.gz VNWQXAUWDYXAOF-UHFFFAOYSA-N 0 3 244.382 3.626 20 0 BHADHN C[C@H](c1ccncc1)N(C)CCCC1CCC1 ZINC000660140087 411255530 /nfs/dbraw/zinc/25/55/30/411255530.db2.gz JCQIQCIWTJELPW-CYBMUJFWSA-N 0 3 232.371 3.655 20 0 BHADHN C[C@@H](c1ccncc1)N(C)CCCC1CCC1 ZINC000660140090 411255519 /nfs/dbraw/zinc/25/55/19/411255519.db2.gz JCQIQCIWTJELPW-ZDUSSCGKSA-N 0 3 232.371 3.655 20 0 BHADHN C[C@H](c1ccccn1)N(C)CCCC1CCC1 ZINC000660141117 411543650 /nfs/dbraw/zinc/54/36/50/411543650.db2.gz UBDQBMHWNYSBDO-CYBMUJFWSA-N 0 3 232.371 3.655 20 0 BHADHN C[C@@H](c1ccccn1)N(C)CCCC1CCC1 ZINC000660141118 411544266 /nfs/dbraw/zinc/54/42/66/411544266.db2.gz UBDQBMHWNYSBDO-ZDUSSCGKSA-N 0 3 232.371 3.655 20 0 BHADHN C[C@H](c1cccnc1)N(C)CCCC1CCC1 ZINC000660141257 411544149 /nfs/dbraw/zinc/54/41/49/411544149.db2.gz UILYQUYRWIYTBC-CYBMUJFWSA-N 0 3 232.371 3.655 20 0 BHADHN C[C@@H](c1cccnc1)N(C)CCCC1CCC1 ZINC000660141260 411543825 /nfs/dbraw/zinc/54/38/25/411543825.db2.gz UILYQUYRWIYTBC-ZDUSSCGKSA-N 0 3 232.371 3.655 20 0 BHADHN CC(C)N(Cc1nsc2ccccc21)C(C)C ZINC000660168145 411550555 /nfs/dbraw/zinc/55/05/55/411550555.db2.gz GWRRCLOPXSMRBT-UHFFFAOYSA-N 0 3 248.395 3.915 20 0 BHADHN c1ccc(CN(CCCC2CCC2)C2CC2)nc1 ZINC000660168448 411551503 /nfs/dbraw/zinc/55/15/03/411551503.db2.gz RDQFAZQKGNUDDB-UHFFFAOYSA-N 0 3 244.382 3.626 20 0 BHADHN C[C@@H](NCc1cc(C2CC2)no1)C1CCCCC1 ZINC000660177649 411551891 /nfs/dbraw/zinc/55/18/91/411551891.db2.gz MADVPMKZJPKYLT-LLVKDONJSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H](NCc1cc(C2CC2)no1)C1CCCCC1 ZINC000660177651 411551905 /nfs/dbraw/zinc/55/19/05/411551905.db2.gz MADVPMKZJPKYLT-NSHDSACASA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H](NCc1cccc(N)c1)c1ccccc1 ZINC000660179391 411552683 /nfs/dbraw/zinc/55/26/83/411552683.db2.gz ZSFVSADLIONSJB-INIZCTEOSA-N 0 3 240.350 3.510 20 0 BHADHN CC[C@@H](NCc1cccc(N)c1)c1ccccc1 ZINC000660179392 411552461 /nfs/dbraw/zinc/55/24/61/411552461.db2.gz ZSFVSADLIONSJB-MRXNPFEDSA-N 0 3 240.350 3.510 20 0 BHADHN C[C@H](NCC1CC=CC1)c1cc(F)ccc1F ZINC000660180372 411552290 /nfs/dbraw/zinc/55/22/90/411552290.db2.gz SNVBOLMCWOWISO-JTQLQIEISA-N 0 3 237.293 3.582 20 0 BHADHN C[C@@H](NCC1CC=CC1)c1cc(F)ccc1F ZINC000660180373 411552695 /nfs/dbraw/zinc/55/26/95/411552695.db2.gz SNVBOLMCWOWISO-SNVBAGLBSA-N 0 3 237.293 3.582 20 0 BHADHN Cc1noc(C)c1[C@H](C)NCCCC1CCC1 ZINC000660194417 411292277 /nfs/dbraw/zinc/29/22/77/411292277.db2.gz HDPXEJCXMOXDKX-JTQLQIEISA-N 0 3 236.359 3.522 20 0 BHADHN Cc1noc(C)c1[C@@H](C)NCCCC1CCC1 ZINC000660194419 411292475 /nfs/dbraw/zinc/29/24/75/411292475.db2.gz HDPXEJCXMOXDKX-SNVBAGLBSA-N 0 3 236.359 3.522 20 0 BHADHN CC[C@@H](C)[C@@H](C)NCc1nsc2ccccc12 ZINC000660196945 411552800 /nfs/dbraw/zinc/55/28/00/411552800.db2.gz NBKRWMWDTAPKLJ-GHMZBOCLSA-N 0 3 248.395 3.821 20 0 BHADHN CC[C@@H](C)[C@H](C)NCc1nsc2ccccc12 ZINC000660196946 411553177 /nfs/dbraw/zinc/55/31/77/411553177.db2.gz NBKRWMWDTAPKLJ-MNOVXSKESA-N 0 3 248.395 3.821 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1nsc2ccccc12 ZINC000660196947 411553091 /nfs/dbraw/zinc/55/30/91/411553091.db2.gz NBKRWMWDTAPKLJ-QWRGUYRKSA-N 0 3 248.395 3.821 20 0 BHADHN CC[C@H](C)[C@@H](C)NCc1nsc2ccccc12 ZINC000660196948 411552910 /nfs/dbraw/zinc/55/29/10/411552910.db2.gz NBKRWMWDTAPKLJ-WDEREUQCSA-N 0 3 248.395 3.821 20 0 BHADHN C[C@H](NCC1CC=CC1)c1cccc(F)c1F ZINC000660204448 411297371 /nfs/dbraw/zinc/29/73/71/411297371.db2.gz LNJYYSUQCCCOEN-JTQLQIEISA-N 0 3 237.293 3.582 20 0 BHADHN C[C@@H](NCC1CC=CC1)c1cccc(F)c1F ZINC000660204449 411297243 /nfs/dbraw/zinc/29/72/43/411297243.db2.gz LNJYYSUQCCCOEN-SNVBAGLBSA-N 0 3 237.293 3.582 20 0 BHADHN CC[C@@H](NCCC1CCC1)c1nc(C)cs1 ZINC000660251989 411320870 /nfs/dbraw/zinc/32/08/70/411320870.db2.gz FUKLYYASPPNICF-GFCCVEGCSA-N 0 3 238.400 3.682 20 0 BHADHN CC[C@H](NCCC1CCC1)c1nc(C)cs1 ZINC000660251998 411320915 /nfs/dbraw/zinc/32/09/15/411320915.db2.gz FUKLYYASPPNICF-LBPRGKRZSA-N 0 3 238.400 3.682 20 0 BHADHN CC[C@@H](NCc1cccc(N)c1)c1cccs1 ZINC000660253139 411333350 /nfs/dbraw/zinc/33/33/50/411333350.db2.gz LQWRCMHOMFJIGO-CYBMUJFWSA-N 0 3 246.379 3.571 20 0 BHADHN CC[C@H](NCc1cccc(N)c1)c1cccs1 ZINC000660253142 411333701 /nfs/dbraw/zinc/33/37/01/411333701.db2.gz LQWRCMHOMFJIGO-ZDUSSCGKSA-N 0 3 246.379 3.571 20 0 BHADHN CC[C@@H](NCCCC1CCC1)c1nccs1 ZINC000660253285 411560210 /nfs/dbraw/zinc/56/02/10/411560210.db2.gz GZKGWTSKPDPFIX-GFCCVEGCSA-N 0 3 238.400 3.764 20 0 BHADHN CC[C@H](NCCCC1CCC1)c1nccs1 ZINC000660253286 411560375 /nfs/dbraw/zinc/56/03/75/411560375.db2.gz GZKGWTSKPDPFIX-LBPRGKRZSA-N 0 3 238.400 3.764 20 0 BHADHN CC[C@@H](NCCC=C(C)C)c1nccs1 ZINC000660254449 411560934 /nfs/dbraw/zinc/56/09/34/411560934.db2.gz RZGMFZSDJOFRQX-LLVKDONJSA-N 0 3 224.373 3.540 20 0 BHADHN CC[C@H](NCCC=C(C)C)c1nccs1 ZINC000660254450 411560501 /nfs/dbraw/zinc/56/05/01/411560501.db2.gz RZGMFZSDJOFRQX-NSHDSACASA-N 0 3 224.373 3.540 20 0 BHADHN CC[C@@H](NCCC=C(C)C)c1nc(C)cs1 ZINC000660254587 411560844 /nfs/dbraw/zinc/56/08/44/411560844.db2.gz SDSYIJJUYDNJJC-GFCCVEGCSA-N 0 3 238.400 3.849 20 0 BHADHN CC[C@H](NCCC=C(C)C)c1nc(C)cs1 ZINC000660254588 411560524 /nfs/dbraw/zinc/56/05/24/411560524.db2.gz SDSYIJJUYDNJJC-LBPRGKRZSA-N 0 3 238.400 3.849 20 0 BHADHN CC[C@@H](NCCC1CCC1)c1c(C)noc1C ZINC000660258369 411561496 /nfs/dbraw/zinc/56/14/96/411561496.db2.gz DRADOZDQALILQB-CYBMUJFWSA-N 0 3 236.359 3.522 20 0 BHADHN CC[C@H](NCCC1CCC1)c1c(C)noc1C ZINC000660258370 411561396 /nfs/dbraw/zinc/56/13/96/411561396.db2.gz DRADOZDQALILQB-ZDUSSCGKSA-N 0 3 236.359 3.522 20 0 BHADHN CC[C@@H](NCCC=C(C)C)c1c(C)noc1C ZINC000660259885 411561481 /nfs/dbraw/zinc/56/14/81/411561481.db2.gz RHUBCWJIRYVMCK-CYBMUJFWSA-N 0 3 236.359 3.688 20 0 BHADHN CC[C@H](NCCC=C(C)C)c1c(C)noc1C ZINC000660260053 411560202 /nfs/dbraw/zinc/56/02/02/411560202.db2.gz RHUBCWJIRYVMCK-ZDUSSCGKSA-N 0 3 236.359 3.688 20 0 BHADHN CC(C)=CCCNC(C)(C)c1ncc(C)s1 ZINC000660262426 411561237 /nfs/dbraw/zinc/56/12/37/411561237.db2.gz HCWVMVOOXKCVDB-UHFFFAOYSA-N 0 3 238.400 3.633 20 0 BHADHN Cc1csc([C@@H](C)NCCCC2CCC2)n1 ZINC000660264864 411561905 /nfs/dbraw/zinc/56/19/05/411561905.db2.gz CMHZJTUZNQYZAS-LLVKDONJSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1csc([C@H](C)NCCCC2CCC2)n1 ZINC000660264866 411562169 /nfs/dbraw/zinc/56/21/69/411562169.db2.gz CMHZJTUZNQYZAS-NSHDSACASA-N 0 3 238.400 3.682 20 0 BHADHN CCc1nc([C@H](C)NCCC2CCC2)cs1 ZINC000660267431 411353268 /nfs/dbraw/zinc/35/32/68/411353268.db2.gz MYXGMEFQDXVXFY-JTQLQIEISA-N 0 3 238.400 3.546 20 0 BHADHN CCc1nc([C@@H](C)NCCC2CCC2)cs1 ZINC000660267432 411352415 /nfs/dbraw/zinc/35/24/15/411352415.db2.gz MYXGMEFQDXVXFY-SNVBAGLBSA-N 0 3 238.400 3.546 20 0 BHADHN CCc1nc([C@@H](C)NCCC=C(C)C)cs1 ZINC000660267682 411562137 /nfs/dbraw/zinc/56/21/37/411562137.db2.gz UQEPXJWEJUXBNM-LLVKDONJSA-N 0 3 238.400 3.712 20 0 BHADHN CCc1nc([C@H](C)NCCC=C(C)C)cs1 ZINC000660267683 411562355 /nfs/dbraw/zinc/56/23/55/411562355.db2.gz UQEPXJWEJUXBNM-NSHDSACASA-N 0 3 238.400 3.712 20 0 BHADHN Cc1cnc([C@@H](C)NCCCC2CCC2)s1 ZINC000660268354 411562424 /nfs/dbraw/zinc/56/24/24/411562424.db2.gz FNJVOMGXFSMNPB-LLVKDONJSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1cnc([C@H](C)NCCCC2CCC2)s1 ZINC000660268355 411562396 /nfs/dbraw/zinc/56/23/96/411562396.db2.gz FNJVOMGXFSMNPB-NSHDSACASA-N 0 3 238.400 3.682 20 0 BHADHN CCC[C@@H]1CCCCN1Cc1cc(C2CC2)no1 ZINC000660275074 411562875 /nfs/dbraw/zinc/56/28/75/411562875.db2.gz BLTDBRSPYZPUBE-CYBMUJFWSA-N 0 3 248.370 3.707 20 0 BHADHN CCC[C@H]1CCCCN1Cc1cc(C2CC2)no1 ZINC000660275075 411562990 /nfs/dbraw/zinc/56/29/90/411562990.db2.gz BLTDBRSPYZPUBE-ZDUSSCGKSA-N 0 3 248.370 3.707 20 0 BHADHN CC[C@@H]1CCCC[C@H]1NCc1cc(C2CC2)no1 ZINC000660304295 411566320 /nfs/dbraw/zinc/56/63/20/411566320.db2.gz CTJDXMSXAMLLLF-BXUZGUMPSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H]1CCCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000660304296 411566815 /nfs/dbraw/zinc/56/68/15/411566815.db2.gz CTJDXMSXAMLLLF-FZMZJTMJSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000660304298 411566666 /nfs/dbraw/zinc/56/66/66/411566666.db2.gz CTJDXMSXAMLLLF-RISCZKNCSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H]1CCCC[C@H]1NCc1cc(C2CC2)no1 ZINC000660304300 411397233 /nfs/dbraw/zinc/39/72/33/411397233.db2.gz CTJDXMSXAMLLLF-SMDDNHRTSA-N 0 3 248.370 3.610 20 0 BHADHN CC1(C)CCCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000660306056 411566167 /nfs/dbraw/zinc/56/61/67/411566167.db2.gz NRFJJBWVYSANKP-AWEZNQCLSA-N 0 3 248.370 3.610 20 0 BHADHN CC1(C)CCCC[C@H]1NCc1cc(C2CC2)no1 ZINC000660306057 411566782 /nfs/dbraw/zinc/56/67/82/411566782.db2.gz NRFJJBWVYSANKP-CQSZACIVSA-N 0 3 248.370 3.610 20 0 BHADHN Cc1nc([C@H]2CCCN2CC2CC=CC2)cs1 ZINC000660309074 411567499 /nfs/dbraw/zinc/56/74/99/411567499.db2.gz CJVPFVYICVJAPI-CQSZACIVSA-N 0 3 248.395 3.555 20 0 BHADHN C[C@@H]1CCCC[C@@H]1N(C)Cc1cc(C2CC2)no1 ZINC000660365980 411572767 /nfs/dbraw/zinc/57/27/67/411572767.db2.gz ALESZOCGXPRFSF-ABAIWWIYSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCCC[C@H]1N(C)Cc1cc(C2CC2)no1 ZINC000660365981 411573035 /nfs/dbraw/zinc/57/30/35/411573035.db2.gz ALESZOCGXPRFSF-IAQYHMDHSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@H]1CCCC[C@@H]1N(C)Cc1cc(C2CC2)no1 ZINC000660365982 411573053 /nfs/dbraw/zinc/57/30/53/411573053.db2.gz ALESZOCGXPRFSF-NHYWBVRUSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@H]1CCCC[C@H]1N(C)Cc1cc(C2CC2)no1 ZINC000660365983 411573012 /nfs/dbraw/zinc/57/30/12/411573012.db2.gz ALESZOCGXPRFSF-XHDPSFHLSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@H]1CCC[C@H]1NCc1nsc2ccccc21 ZINC000660409066 411471847 /nfs/dbraw/zinc/47/18/47/411471847.db2.gz AYFDVGDJDFTYKK-CMPLNLGQSA-N 0 3 246.379 3.575 20 0 BHADHN C[C@H]1CCC[C@@H]1NCc1nsc2ccccc21 ZINC000660409068 411471368 /nfs/dbraw/zinc/47/13/68/411471368.db2.gz AYFDVGDJDFTYKK-JQWIXIFHSA-N 0 3 246.379 3.575 20 0 BHADHN C[C@@H]1CCC[C@@H]1NCc1nsc2ccccc21 ZINC000660409075 411471457 /nfs/dbraw/zinc/47/14/57/411471457.db2.gz AYFDVGDJDFTYKK-PWSUYJOCSA-N 0 3 246.379 3.575 20 0 BHADHN C[C@@H]1CCC[C@H]1NCc1nsc2ccccc21 ZINC000660409086 411471437 /nfs/dbraw/zinc/47/14/37/411471437.db2.gz AYFDVGDJDFTYKK-ZYHUDNBSSA-N 0 3 246.379 3.575 20 0 BHADHN CC(C)N(Cc1cc(C2CC2)no1)CC1CCC1 ZINC000660422575 411582902 /nfs/dbraw/zinc/58/29/02/411582902.db2.gz GDAZENJCOBZQTQ-UHFFFAOYSA-N 0 3 248.370 3.563 20 0 BHADHN CN(Cc1cc(C2CC2)no1)[C@@H]1CCC(C)(C)C1 ZINC000660453358 411587499 /nfs/dbraw/zinc/58/74/99/411587499.db2.gz PNCNNEAGDPHUCY-GFCCVEGCSA-N 0 3 248.370 3.563 20 0 BHADHN CN(Cc1cc(C2CC2)no1)[C@H]1CCC(C)(C)C1 ZINC000660453359 411587568 /nfs/dbraw/zinc/58/75/68/411587568.db2.gz PNCNNEAGDPHUCY-LBPRGKRZSA-N 0 3 248.370 3.563 20 0 BHADHN CSc1cccc(CN2CCC=C(C)C2)c1 ZINC000660461533 411589237 /nfs/dbraw/zinc/58/92/37/411589237.db2.gz FVGXQALYUPXVLP-UHFFFAOYSA-N 0 3 233.380 3.561 20 0 BHADHN CC1(C)CCCC[C@H]1CN1Cc2cccnc2C1 ZINC000660463116 411588653 /nfs/dbraw/zinc/58/86/53/411588653.db2.gz YHSSVQIMULEOQG-AWEZNQCLSA-N 0 3 244.382 3.614 20 0 BHADHN CC1(C)CCCC[C@@H]1CN1Cc2cccnc2C1 ZINC000660463117 411589146 /nfs/dbraw/zinc/58/91/46/411589146.db2.gz YHSSVQIMULEOQG-CQSZACIVSA-N 0 3 244.382 3.614 20 0 BHADHN c1cc([C@@H]2CCCCN2CCCC2CCC2)n[nH]1 ZINC000660537022 411596695 /nfs/dbraw/zinc/59/66/95/411596695.db2.gz TXTLWHOQIMKELT-HNNXBMFYSA-N 0 3 247.386 3.517 20 0 BHADHN c1cc([C@H]2CCCCN2CCCC2CCC2)n[nH]1 ZINC000660537023 411596292 /nfs/dbraw/zinc/59/62/92/411596292.db2.gz TXTLWHOQIMKELT-OAHLLOKOSA-N 0 3 247.386 3.517 20 0 BHADHN CC(C)=CCCN1CCC=C(c2cccnc2)C1 ZINC000660554615 411599882 /nfs/dbraw/zinc/59/98/82/411599882.db2.gz XTNXWYOUNVPDBO-UHFFFAOYSA-N 0 3 242.366 3.527 20 0 BHADHN CCC(CC)N(CC)Cc1cc(C2CC2)no1 ZINC000660561199 411600363 /nfs/dbraw/zinc/60/03/63/411600363.db2.gz SXBIBLXSLILDIU-UHFFFAOYSA-N 0 3 236.359 3.563 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1cc(C2CC2)no1 ZINC000660586915 488095486 /nfs/dbraw/zinc/09/54/86/488095486.db2.gz MLDQMELDHJFFTB-LLVKDONJSA-N 0 3 236.359 3.563 20 0 BHADHN CCCC[C@H](C)N(C)Cc1cc(C2CC2)no1 ZINC000660586924 488095727 /nfs/dbraw/zinc/09/57/27/488095727.db2.gz MLDQMELDHJFFTB-NSHDSACASA-N 0 3 236.359 3.563 20 0 BHADHN Cc1nc(CN[C@H]2CCCCC23CCCC3)co1 ZINC000660594883 488104655 /nfs/dbraw/zinc/10/46/55/488104655.db2.gz AVVKKBFGNUNIHK-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1nc(CN[C@@H]2CCCCC23CCCC3)co1 ZINC000660594887 488104028 /nfs/dbraw/zinc/10/40/28/488104028.db2.gz AVVKKBFGNUNIHK-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN CC[C@H](CC(F)F)CN(C)Cc1occc1C ZINC000660615145 411608000 /nfs/dbraw/zinc/60/80/00/411608000.db2.gz PZSPPPXJDKQKGV-LLVKDONJSA-N 0 3 245.313 3.701 20 0 BHADHN CC[C@@H](CC(F)F)CN(C)Cc1occc1C ZINC000660615150 411607889 /nfs/dbraw/zinc/60/78/89/411607889.db2.gz PZSPPPXJDKQKGV-NSHDSACASA-N 0 3 245.313 3.701 20 0 BHADHN CC(C)=CCCN1CCC=C(c2ccccn2)C1 ZINC000660628461 411361313 /nfs/dbraw/zinc/36/13/13/411361313.db2.gz MTBNQKGPPRSTJR-UHFFFAOYSA-N 0 3 242.366 3.527 20 0 BHADHN CCC[C@@H](NCc1nc(C)oc1C)C(C)(C)C ZINC000660690355 411618004 /nfs/dbraw/zinc/61/80/04/411618004.db2.gz BDIOMVJWOPQWCJ-CYBMUJFWSA-N 0 3 238.375 3.596 20 0 BHADHN CCC[C@H](NCc1nc(C)oc1C)C(C)(C)C ZINC000660690357 411617881 /nfs/dbraw/zinc/61/78/81/411617881.db2.gz BDIOMVJWOPQWCJ-ZDUSSCGKSA-N 0 3 238.375 3.596 20 0 BHADHN CCC[C@@H](NCc1conc1CC)C(C)(C)C ZINC000660691981 411618006 /nfs/dbraw/zinc/61/80/06/411618006.db2.gz LGIWPOKWAYAZQR-CYBMUJFWSA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@H](NCc1conc1CC)C(C)(C)C ZINC000660691982 411617689 /nfs/dbraw/zinc/61/76/89/411617689.db2.gz LGIWPOKWAYAZQR-ZDUSSCGKSA-N 0 3 238.375 3.541 20 0 BHADHN CC1(C)CC[C@H]1NCc1nsc2ccccc21 ZINC000660700373 411618123 /nfs/dbraw/zinc/61/81/23/411618123.db2.gz KDRRFPDMOGBIGD-CYBMUJFWSA-N 0 3 246.379 3.575 20 0 BHADHN CC1(C)CC[C@@H]1NCc1nsc2ccccc21 ZINC000660700375 411618164 /nfs/dbraw/zinc/61/81/64/411618164.db2.gz KDRRFPDMOGBIGD-ZDUSSCGKSA-N 0 3 246.379 3.575 20 0 BHADHN c1coc([C@@H]2N(CC3CC=CC3)CC23CCC3)c1 ZINC000660735121 411619912 /nfs/dbraw/zinc/61/99/12/411619912.db2.gz BEZLORGFFCMPDN-HNNXBMFYSA-N 0 3 243.350 3.773 20 0 BHADHN c1coc([C@H]2N(CC3CC=CC3)CC23CCC3)c1 ZINC000660735122 411619774 /nfs/dbraw/zinc/61/97/74/411619774.db2.gz BEZLORGFFCMPDN-OAHLLOKOSA-N 0 3 243.350 3.773 20 0 BHADHN c1coc([C@@H]2N(CCC3CCC3)CC23CCC3)c1 ZINC000660739725 411620512 /nfs/dbraw/zinc/62/05/12/411620512.db2.gz XZCVNWYZEMTANK-HNNXBMFYSA-N 0 3 245.366 3.997 20 0 BHADHN c1coc([C@H]2N(CCC3CCC3)CC23CCC3)c1 ZINC000660739727 411620378 /nfs/dbraw/zinc/62/03/78/411620378.db2.gz XZCVNWYZEMTANK-OAHLLOKOSA-N 0 3 245.366 3.997 20 0 BHADHN CC[C@@H]1CC[C@H](C)N(Cc2cc(C3CC3)no2)C1 ZINC000660751169 411620608 /nfs/dbraw/zinc/62/06/08/411620608.db2.gz IDRNSXFPPAFUIZ-NWDGAFQWSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCCC[C@]1(C)NCc1cc(C2CC2)no1 ZINC000660768746 409728394 /nfs/dbraw/zinc/72/83/94/409728394.db2.gz REHYQICAWBPNGW-ABAIWWIYSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@@H]1CCCC[C@@]1(C)NCc1cc(C2CC2)no1 ZINC000660768749 409728432 /nfs/dbraw/zinc/72/84/32/409728432.db2.gz REHYQICAWBPNGW-IAQYHMDHSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H]1CCCC[C@]1(C)NCc1cc(C2CC2)no1 ZINC000660768752 409727651 /nfs/dbraw/zinc/72/76/51/409727651.db2.gz REHYQICAWBPNGW-NHYWBVRUSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H]1CCCC[C@@]1(C)NCc1cc(C2CC2)no1 ZINC000660768753 409728413 /nfs/dbraw/zinc/72/84/13/409728413.db2.gz REHYQICAWBPNGW-XHDPSFHLSA-N 0 3 248.370 3.610 20 0 BHADHN CCC[C@H](NCc1cc(C2CC2)no1)C1CCC1 ZINC000660782926 409743465 /nfs/dbraw/zinc/74/34/65/409743465.db2.gz JAULSKQHCLHSBZ-AWEZNQCLSA-N 0 3 248.370 3.610 20 0 BHADHN CCC[C@@H](NCc1cc(C2CC2)no1)C1CCC1 ZINC000660782927 409744236 /nfs/dbraw/zinc/74/42/36/409744236.db2.gz JAULSKQHCLHSBZ-CQSZACIVSA-N 0 3 248.370 3.610 20 0 BHADHN CCN(Cc1cc(C2CC2)no1)C1CC(C)(C)C1 ZINC000660807191 411638845 /nfs/dbraw/zinc/63/88/45/411638845.db2.gz HUWUNKWLGFBNEY-UHFFFAOYSA-N 0 3 248.370 3.563 20 0 BHADHN COc1cccc(CN(C)C(C)(C)C)c1Cl ZINC000660900991 411664796 /nfs/dbraw/zinc/66/47/96/411664796.db2.gz DGQAQIPNGCKEQZ-UHFFFAOYSA-N 0 3 241.762 3.579 20 0 BHADHN COc1ccccc1C1(NCCC=C(C)C)CC1 ZINC000660903892 411667432 /nfs/dbraw/zinc/66/74/32/411667432.db2.gz XOTNNMWKGVWJQY-UHFFFAOYSA-N 0 3 245.366 3.630 20 0 BHADHN CCCN(Cc1nsc2ccccc21)C(C)C ZINC000660923964 411674226 /nfs/dbraw/zinc/67/42/26/411674226.db2.gz INSRFWIFGKKPLJ-UHFFFAOYSA-N 0 3 248.395 3.917 20 0 BHADHN Cc1nc(CN2CCC[C@H]2CC2CCCC2)co1 ZINC000660927391 411677572 /nfs/dbraw/zinc/67/75/72/411677572.db2.gz ZBSBLISWPTZSNI-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1nc(CN2CCC[C@@H]2CC2CCCC2)co1 ZINC000660927392 411676806 /nfs/dbraw/zinc/67/68/06/411676806.db2.gz ZBSBLISWPTZSNI-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN C(=C/c1ccccc1)\CN1C[C@@H]2CCCC[C@@H]21 ZINC000660927703 409976595 /nfs/dbraw/zinc/97/65/95/409976595.db2.gz FQEGNEVONJKRKI-MYNUTGAYSA-N 0 3 227.351 3.574 20 0 BHADHN C(=C\c1ccccc1)\CN1C[C@@H]2CCCC[C@@H]21 ZINC000660927704 409975968 /nfs/dbraw/zinc/97/59/68/409975968.db2.gz FQEGNEVONJKRKI-OCLYVHKGSA-N 0 3 227.351 3.574 20 0 BHADHN C[C@@H](c1ccc(F)cc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660927713 411679759 /nfs/dbraw/zinc/67/97/59/411679759.db2.gz FVMASIIDXVFDER-WHOFXGATSA-N 0 3 233.330 3.761 20 0 BHADHN C[C@H](c1ccc(F)cc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660927714 411678991 /nfs/dbraw/zinc/67/89/91/411678991.db2.gz FVMASIIDXVFDER-ZLDLUXBVSA-N 0 3 233.330 3.761 20 0 BHADHN C[C@@H](c1ccccc1F)N1C[C@@H]2CCCC[C@@H]21 ZINC000660928194 409976145 /nfs/dbraw/zinc/97/61/45/409976145.db2.gz LEJSOCKLQJWFOT-HUBLWGQQSA-N 0 3 233.330 3.761 20 0 BHADHN C[C@H](c1ccccc1F)N1C[C@@H]2CCCC[C@@H]21 ZINC000660928196 409975741 /nfs/dbraw/zinc/97/57/41/409975741.db2.gz LEJSOCKLQJWFOT-XUJVJEKNSA-N 0 3 233.330 3.761 20 0 BHADHN C[C@@H](c1cccc(F)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660931959 411681962 /nfs/dbraw/zinc/68/19/62/411681962.db2.gz WAGIBUAGXIKDKJ-WHOFXGATSA-N 0 3 233.330 3.761 20 0 BHADHN C[C@H](c1cccc(F)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660931961 411681054 /nfs/dbraw/zinc/68/10/54/411681054.db2.gz WAGIBUAGXIKDKJ-ZLDLUXBVSA-N 0 3 233.330 3.761 20 0 BHADHN FC(F)(F)CCCCN1C[C@@H]2CCCC[C@@H]21 ZINC000660932684 411681004 /nfs/dbraw/zinc/68/10/04/411681004.db2.gz BTCKJZSWHOSKPI-QWRGUYRKSA-N 0 3 235.293 3.593 20 0 BHADHN CC[C@@H](C)N(CC)Cc1nsc2ccccc21 ZINC000661102918 411707584 /nfs/dbraw/zinc/70/75/84/411707584.db2.gz CIHXMYRNAZGTMI-LLVKDONJSA-N 0 3 248.395 3.917 20 0 BHADHN CC[C@H](C)N(CC)Cc1nsc2ccccc21 ZINC000661102920 410216094 /nfs/dbraw/zinc/21/60/94/410216094.db2.gz CIHXMYRNAZGTMI-NSHDSACASA-N 0 3 248.395 3.917 20 0 BHADHN CC[C@@H](C)N(CC)Cc1cccc(C(C)=O)c1 ZINC000661103191 410216286 /nfs/dbraw/zinc/21/62/86/410216286.db2.gz FHEDNYNIVQQKJP-GFCCVEGCSA-N 0 3 233.355 3.510 20 0 BHADHN CC[C@H](C)N(CC)Cc1cccc(C(C)=O)c1 ZINC000661103208 410215540 /nfs/dbraw/zinc/21/55/40/410215540.db2.gz FHEDNYNIVQQKJP-LBPRGKRZSA-N 0 3 233.355 3.510 20 0 BHADHN CCCc1nc(C)c(CN(CC)[C@H](C)CC)o1 ZINC000661103570 410220884 /nfs/dbraw/zinc/22/08/84/410220884.db2.gz HEDIHNXSAVQILD-LLVKDONJSA-N 0 3 238.375 3.556 20 0 BHADHN CCCc1nc(C)c(CN(CC)[C@@H](C)CC)o1 ZINC000661103571 410220446 /nfs/dbraw/zinc/22/04/46/410220446.db2.gz HEDIHNXSAVQILD-NSHDSACASA-N 0 3 238.375 3.556 20 0 BHADHN CC[C@@H](C)N(CC)Cc1nc2ccccc2s1 ZINC000661104003 410225039 /nfs/dbraw/zinc/22/50/39/410225039.db2.gz JFTQFEAJOQUMLJ-LLVKDONJSA-N 0 3 248.395 3.917 20 0 BHADHN CC[C@H](C)N(CC)Cc1nc2ccccc2s1 ZINC000661104004 410224829 /nfs/dbraw/zinc/22/48/29/410224829.db2.gz JFTQFEAJOQUMLJ-NSHDSACASA-N 0 3 248.395 3.917 20 0 BHADHN CC[C@@H](C)N(CC)Cc1cc(-c2ccco2)on1 ZINC000661107577 411710514 /nfs/dbraw/zinc/71/05/14/411710514.db2.gz SBALLSVOIAPYRT-LLVKDONJSA-N 0 3 248.326 3.555 20 0 BHADHN CC[C@H](C)N(CC)Cc1cc(-c2ccco2)on1 ZINC000661107578 411710225 /nfs/dbraw/zinc/71/02/25/411710225.db2.gz SBALLSVOIAPYRT-NSHDSACASA-N 0 3 248.326 3.555 20 0 BHADHN CC[C@@H](C)N(CC)Cc1ccn(C2CCCC2)n1 ZINC000661108354 411712084 /nfs/dbraw/zinc/71/20/84/411712084.db2.gz SMEBUWQPTNIWJD-CYBMUJFWSA-N 0 3 249.402 3.619 20 0 BHADHN CC[C@H](C)N(CC)Cc1ccn(C2CCCC2)n1 ZINC000661108355 411712185 /nfs/dbraw/zinc/71/21/85/411712185.db2.gz SMEBUWQPTNIWJD-ZDUSSCGKSA-N 0 3 249.402 3.619 20 0 BHADHN Cc1nc(CN[C@H]2CCCC23CCCCC3)co1 ZINC000661127934 411715180 /nfs/dbraw/zinc/71/51/80/411715180.db2.gz NZQXOTLZJSHRSV-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1nc(CN[C@@H]2CCCC23CCCCC3)co1 ZINC000661127935 411715201 /nfs/dbraw/zinc/71/52/01/411715201.db2.gz NZQXOTLZJSHRSV-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN FCCCCCN1CCC(c2ccco2)CC1 ZINC000661160747 410312071 /nfs/dbraw/zinc/31/20/71/410312071.db2.gz CKWACBATLSKGNE-UHFFFAOYSA-N 0 3 239.334 3.599 20 0 BHADHN c1coc(C2CCN(Cc3ccsc3)CC2)c1 ZINC000661160954 410312017 /nfs/dbraw/zinc/31/20/17/410312017.db2.gz HOHDDAOHYSSTES-UHFFFAOYSA-N 0 3 247.363 3.721 20 0 BHADHN c1coc(C2CCN(CC3=CCCC3)CC2)c1 ZINC000661161180 411724204 /nfs/dbraw/zinc/72/42/04/411724204.db2.gz MWKCEYPLYOJBOB-UHFFFAOYSA-N 0 3 231.339 3.569 20 0 BHADHN c1coc(C2CCN(Cc3cccs3)CC2)c1 ZINC000661162127 411724215 /nfs/dbraw/zinc/72/42/15/411724215.db2.gz HZRBLYGXIQVFNF-UHFFFAOYSA-N 0 3 247.363 3.721 20 0 BHADHN c1coc(C2CCN([C@H]3C=CCCC3)CC2)c1 ZINC000661164014 411723900 /nfs/dbraw/zinc/72/39/00/411723900.db2.gz SAFZMYHSAQSADB-AWEZNQCLSA-N 0 3 231.339 3.568 20 0 BHADHN c1coc(C2CCN([C@@H]3C=CCCC3)CC2)c1 ZINC000661164016 411724696 /nfs/dbraw/zinc/72/46/96/411724696.db2.gz SAFZMYHSAQSADB-CQSZACIVSA-N 0 3 231.339 3.568 20 0 BHADHN c1coc(C2CCN(Cc3ccccc3)CC2)c1 ZINC000661165631 411726172 /nfs/dbraw/zinc/72/61/72/411726172.db2.gz WPLGMHBASMYCKJ-UHFFFAOYSA-N 0 3 241.334 3.659 20 0 BHADHN Cc1cc(CN2CCCC3(CCCC3)CC2)on1 ZINC000661226606 411735751 /nfs/dbraw/zinc/73/57/51/411735751.db2.gz CSCVRCYLSLQFTK-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1cc(CN2CCCC3(CCCC3)CC2)no1 ZINC000661227664 411735194 /nfs/dbraw/zinc/73/51/94/411735194.db2.gz KBURIZDUIOETCG-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN c1cncc(CN2CCCC3(CCCC3)CC2)c1 ZINC000661227667 411735303 /nfs/dbraw/zinc/73/53/03/411735303.db2.gz KESAFEHCHZIVSE-UHFFFAOYSA-N 0 3 244.382 3.628 20 0 BHADHN Cc1cnc(CN2CCCC3(CCCC3)CC2)o1 ZINC000661229542 411735838 /nfs/dbraw/zinc/73/58/38/411735838.db2.gz IEMAHWZVGDTESK-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN c1cc(CN2CCCC3(CCCC3)CC2)ccn1 ZINC000661229911 411735391 /nfs/dbraw/zinc/73/53/91/411735391.db2.gz PZWPCMGXCKGXPO-UHFFFAOYSA-N 0 3 244.382 3.628 20 0 BHADHN Cc1nc(CN2CCCC3(CCCC3)CC2)co1 ZINC000661230939 411737362 /nfs/dbraw/zinc/73/73/62/411737362.db2.gz HPFYYYBUHFFSSC-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1ccncc1Cl ZINC000661231171 411738313 /nfs/dbraw/zinc/73/83/13/411738313.db2.gz IIFHEARBSDLNGX-JTQLQIEISA-N 0 3 240.778 3.649 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1ccncc1Cl ZINC000661231172 411737049 /nfs/dbraw/zinc/73/70/49/411737049.db2.gz IIFHEARBSDLNGX-SNVBAGLBSA-N 0 3 240.778 3.649 20 0 BHADHN Cc1nocc1CN1CCCC2(CCCC2)CC1 ZINC000661231374 410380416 /nfs/dbraw/zinc/38/04/16/410380416.db2.gz MAHSMESTIKJDBB-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1nc2ccccc2o1 ZINC000661233486 411737674 /nfs/dbraw/zinc/73/76/74/411737674.db2.gz HEDYYOOSNUQANL-LLVKDONJSA-N 0 3 246.354 3.742 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1nc2ccccc2o1 ZINC000661233487 411737719 /nfs/dbraw/zinc/73/77/19/411737719.db2.gz HEDYYOOSNUQANL-NSHDSACASA-N 0 3 246.354 3.742 20 0 BHADHN C[C@H](c1ccccn1)N1CCC(C2CCC2)CC1 ZINC000661375005 411758487 /nfs/dbraw/zinc/75/84/87/411758487.db2.gz RQJILXOJEHRACZ-CYBMUJFWSA-N 0 3 244.382 3.655 20 0 BHADHN C[C@@H](c1ccccn1)N1CCC(C2CCC2)CC1 ZINC000661375006 411758516 /nfs/dbraw/zinc/75/85/16/411758516.db2.gz RQJILXOJEHRACZ-ZDUSSCGKSA-N 0 3 244.382 3.655 20 0 BHADHN C[C@H](c1ccncc1)N1CCC(C2CCC2)CC1 ZINC000661375611 411758736 /nfs/dbraw/zinc/75/87/36/411758736.db2.gz BIAFIGLTVZJRLH-CYBMUJFWSA-N 0 3 244.382 3.655 20 0 BHADHN C[C@@H](c1ccncc1)N1CCC(C2CCC2)CC1 ZINC000661375612 411758864 /nfs/dbraw/zinc/75/88/64/411758864.db2.gz BIAFIGLTVZJRLH-ZDUSSCGKSA-N 0 3 244.382 3.655 20 0 BHADHN C[C@H](c1cccnc1)N1CCC(C2CCC2)CC1 ZINC000661376230 411761098 /nfs/dbraw/zinc/76/10/98/411761098.db2.gz HJTICUSTNPDIKO-CYBMUJFWSA-N 0 3 244.382 3.655 20 0 BHADHN C[C@@H](c1cccnc1)N1CCC(C2CCC2)CC1 ZINC000661376237 411760944 /nfs/dbraw/zinc/76/09/44/411760944.db2.gz HJTICUSTNPDIKO-ZDUSSCGKSA-N 0 3 244.382 3.655 20 0 BHADHN CCC(C)(C)CCN[C@@H](C)c1cscn1 ZINC000661414163 411771127 /nfs/dbraw/zinc/77/11/27/411771127.db2.gz KTBTYBOJPZOPCI-JTQLQIEISA-N 0 3 226.389 3.620 20 0 BHADHN CCC(C)(C)CCN[C@H](C)c1cscn1 ZINC000661414164 411772536 /nfs/dbraw/zinc/77/25/36/411772536.db2.gz KTBTYBOJPZOPCI-SNVBAGLBSA-N 0 3 226.389 3.620 20 0 BHADHN CC[C@H](C)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661435055 411774415 /nfs/dbraw/zinc/77/44/15/411774415.db2.gz FPRSCSCHCVHYAI-GXTWGEPZSA-N 0 3 233.355 3.995 20 0 BHADHN CC[C@H](C)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661435056 411773999 /nfs/dbraw/zinc/77/39/99/411773999.db2.gz FPRSCSCHCVHYAI-JSGCOSHPSA-N 0 3 233.355 3.995 20 0 BHADHN CC[C@@H](C)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661435057 411775743 /nfs/dbraw/zinc/77/57/43/411775743.db2.gz FPRSCSCHCVHYAI-OCCSQVGLSA-N 0 3 233.355 3.995 20 0 BHADHN CC[C@@H](C)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661435058 411774912 /nfs/dbraw/zinc/77/49/12/411774912.db2.gz FPRSCSCHCVHYAI-TZMCWYRMSA-N 0 3 233.355 3.995 20 0 BHADHN c1coc([C@@H]2N(CC3CCC3)CC23CCCC3)c1 ZINC000661436379 411775979 /nfs/dbraw/zinc/77/59/79/411775979.db2.gz SQIKPIKIXXSLRF-HNNXBMFYSA-N 0 3 245.366 3.997 20 0 BHADHN c1coc([C@H]2N(CC3CCC3)CC23CCCC3)c1 ZINC000661436380 411775041 /nfs/dbraw/zinc/77/50/41/411775041.db2.gz SQIKPIKIXXSLRF-OAHLLOKOSA-N 0 3 245.366 3.997 20 0 BHADHN CC(C)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661440604 411779081 /nfs/dbraw/zinc/77/90/81/411779081.db2.gz RLUODMQEACJLRP-CYBMUJFWSA-N 0 3 219.328 3.605 20 0 BHADHN CC(C)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661440605 411778835 /nfs/dbraw/zinc/77/88/35/411778835.db2.gz RLUODMQEACJLRP-ZDUSSCGKSA-N 0 3 219.328 3.605 20 0 BHADHN CC(C)CN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661445699 411777614 /nfs/dbraw/zinc/77/76/14/411777614.db2.gz KAQJTTXNZZLEMS-AWEZNQCLSA-N 0 3 233.355 3.853 20 0 BHADHN CC(C)CN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661445701 411778473 /nfs/dbraw/zinc/77/84/73/411778473.db2.gz KAQJTTXNZZLEMS-CQSZACIVSA-N 0 3 233.355 3.853 20 0 BHADHN FCCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661446227 411777848 /nfs/dbraw/zinc/77/78/48/411777848.db2.gz MOIZKBCBXDSPDT-CYBMUJFWSA-N 0 3 237.318 3.556 20 0 BHADHN FCCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661446228 411777684 /nfs/dbraw/zinc/77/76/84/411777684.db2.gz MOIZKBCBXDSPDT-ZDUSSCGKSA-N 0 3 237.318 3.556 20 0 BHADHN CCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661446237 411777551 /nfs/dbraw/zinc/77/75/51/411777551.db2.gz MPZCWQVAJINEMW-CYBMUJFWSA-N 0 3 219.328 3.607 20 0 BHADHN CCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661446242 411777918 /nfs/dbraw/zinc/77/79/18/411777918.db2.gz MPZCWQVAJINEMW-ZDUSSCGKSA-N 0 3 219.328 3.607 20 0 BHADHN c1coc([C@@H]2N(CC3CC3)CC23CCCC3)c1 ZINC000661446323 411779131 /nfs/dbraw/zinc/77/91/31/411779131.db2.gz MUGAVYUJSXYWNV-AWEZNQCLSA-N 0 3 231.339 3.607 20 0 BHADHN c1coc([C@H]2N(CC3CC3)CC23CCCC3)c1 ZINC000661446325 411780298 /nfs/dbraw/zinc/78/02/98/411780298.db2.gz MUGAVYUJSXYWNV-CQSZACIVSA-N 0 3 231.339 3.607 20 0 BHADHN CC(C)=CCCN1CC[C@H]1c1ccc(F)cc1 ZINC000661506750 411791222 /nfs/dbraw/zinc/79/12/22/411791222.db2.gz HJUYQDRGKAPJLM-HNNXBMFYSA-N 0 3 233.330 3.929 20 0 BHADHN CC(C)=CCCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661506752 411791178 /nfs/dbraw/zinc/79/11/78/411791178.db2.gz HJUYQDRGKAPJLM-OAHLLOKOSA-N 0 3 233.330 3.929 20 0 BHADHN Fc1ccc([C@@H]2CCN2CC2CC=CC2)cc1 ZINC000661508668 411792308 /nfs/dbraw/zinc/79/23/08/411792308.db2.gz PUWVFQXGVGJBQC-HNNXBMFYSA-N 0 3 231.314 3.539 20 0 BHADHN Fc1ccc([C@H]2CCN2CC2CC=CC2)cc1 ZINC000661508670 411792277 /nfs/dbraw/zinc/79/22/77/411792277.db2.gz PUWVFQXGVGJBQC-OAHLLOKOSA-N 0 3 231.314 3.539 20 0 BHADHN CC(C)CCN1CC[C@H]1c1ccc(F)cc1 ZINC000661511769 411793585 /nfs/dbraw/zinc/79/35/85/411793585.db2.gz MFZIIYGAMNHAGM-AWEZNQCLSA-N 0 3 221.319 3.619 20 0 BHADHN CC(C)CCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661511771 411794447 /nfs/dbraw/zinc/79/44/47/411794447.db2.gz MFZIIYGAMNHAGM-CQSZACIVSA-N 0 3 221.319 3.619 20 0 BHADHN CC[C@@H](C)CN1CC[C@@H]1c1ccc(F)cc1 ZINC000661512653 411794839 /nfs/dbraw/zinc/79/48/39/411794839.db2.gz LONCKVYEVRFHTD-BXUZGUMPSA-N 0 3 221.319 3.619 20 0 BHADHN CC[C@H](C)CN1CC[C@H]1c1ccc(F)cc1 ZINC000661512654 411794479 /nfs/dbraw/zinc/79/44/79/411794479.db2.gz LONCKVYEVRFHTD-FZMZJTMJSA-N 0 3 221.319 3.619 20 0 BHADHN CC[C@@H](C)CN1CC[C@H]1c1ccc(F)cc1 ZINC000661512656 411793511 /nfs/dbraw/zinc/79/35/11/411793511.db2.gz LONCKVYEVRFHTD-RISCZKNCSA-N 0 3 221.319 3.619 20 0 BHADHN CC[C@H](C)CN1CC[C@@H]1c1ccc(F)cc1 ZINC000661512658 411793619 /nfs/dbraw/zinc/79/36/19/411793619.db2.gz LONCKVYEVRFHTD-SMDDNHRTSA-N 0 3 221.319 3.619 20 0 BHADHN FCCCCCN1CC[C@H]1c1ccc(F)cc1 ZINC000661514902 411793219 /nfs/dbraw/zinc/79/32/19/411793219.db2.gz UDBTZXRYFVVNOG-AWEZNQCLSA-N 0 3 239.309 3.712 20 0 BHADHN FCCCCCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661514903 411794813 /nfs/dbraw/zinc/79/48/13/411794813.db2.gz UDBTZXRYFVVNOG-CQSZACIVSA-N 0 3 239.309 3.712 20 0 BHADHN Fc1ccc([C@@H]2CCN2C2CCCC2)cc1 ZINC000661515303 411793192 /nfs/dbraw/zinc/79/31/92/411793192.db2.gz WYNNBRFACCMNKD-AWEZNQCLSA-N 0 3 219.303 3.515 20 0 BHADHN Fc1ccc([C@H]2CCN2C2CCCC2)cc1 ZINC000661515304 411794242 /nfs/dbraw/zinc/79/42/42/411794242.db2.gz WYNNBRFACCMNKD-CQSZACIVSA-N 0 3 219.303 3.515 20 0 BHADHN CCC1(CC)CCCN(Cc2cncs2)C1 ZINC000661673670 411834195 /nfs/dbraw/zinc/83/41/95/411834195.db2.gz WWKBNRHUBIYSPV-UHFFFAOYSA-N 0 3 238.400 3.545 20 0 BHADHN Cc1cc(CN2CCC[C@H](CCF)C2)cs1 ZINC000661690996 411841444 /nfs/dbraw/zinc/84/14/44/411841444.db2.gz ZKOVPVCUJIHEMP-GFCCVEGCSA-N 0 3 241.375 3.628 20 0 BHADHN Cc1cc(CN2CCC[C@@H](CCF)C2)cs1 ZINC000661690997 411840702 /nfs/dbraw/zinc/84/07/02/411840702.db2.gz ZKOVPVCUJIHEMP-LBPRGKRZSA-N 0 3 241.375 3.628 20 0 BHADHN FCC[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000661695723 411843956 /nfs/dbraw/zinc/84/39/56/411843956.db2.gz HXYQFPNZDNHCQS-FAOGRTBUSA-N 0 3 247.357 3.771 20 0 BHADHN FCC[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000661695724 411842913 /nfs/dbraw/zinc/84/29/13/411842913.db2.gz HXYQFPNZDNHCQS-KZJSRBBCSA-N 0 3 247.357 3.771 20 0 BHADHN FCC[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000661695726 411843829 /nfs/dbraw/zinc/84/38/29/411843829.db2.gz HXYQFPNZDNHCQS-LWAXHKBTSA-N 0 3 247.357 3.771 20 0 BHADHN FCC[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000661695727 411843100 /nfs/dbraw/zinc/84/31/00/411843100.db2.gz HXYQFPNZDNHCQS-YCOJEUHLSA-N 0 3 247.357 3.771 20 0 BHADHN CC[C@@H](NCc1nsc2ccccc21)C1CC1 ZINC000661762859 411874146 /nfs/dbraw/zinc/87/41/46/411874146.db2.gz VMNZUSUIGAQBDI-GFCCVEGCSA-N 0 3 246.379 3.575 20 0 BHADHN CC[C@H](NCc1nsc2ccccc21)C1CC1 ZINC000661762862 411872908 /nfs/dbraw/zinc/87/29/08/411872908.db2.gz VMNZUSUIGAQBDI-LBPRGKRZSA-N 0 3 246.379 3.575 20 0 BHADHN CC[C@@H]1CC[C@@H](C)N(Cc2cc(C3CC3)no2)C1 ZINC000661859834 411907028 /nfs/dbraw/zinc/90/70/28/411907028.db2.gz IDRNSXFPPAFUIZ-VXGBXAGGSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1CC[C@@H]2C[C@@H]2C1 ZINC000661966332 411923861 /nfs/dbraw/zinc/92/38/61/411923861.db2.gz GQVUZJAHNAQBOP-RAIGVLPGSA-N 0 3 235.758 3.743 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1CC[C@H]2C[C@H]2C1 ZINC000661966334 411923512 /nfs/dbraw/zinc/92/35/12/411923512.db2.gz GQVUZJAHNAQBOP-WXHSDQCUSA-N 0 3 235.758 3.743 20 0 BHADHN Clc1cccc2c1CC[C@@H]2N1CC[C@@H]2C[C@@H]2C1 ZINC000661967458 411925460 /nfs/dbraw/zinc/92/54/60/411925460.db2.gz DPHHMPACRYTTJF-HFAKWTLXSA-N 0 3 247.769 3.669 20 0 BHADHN Clc1cccc2c1CC[C@@H]2N1CC[C@H]2C[C@H]2C1 ZINC000661967460 411925836 /nfs/dbraw/zinc/92/58/36/411925836.db2.gz DPHHMPACRYTTJF-PGUXBMHVSA-N 0 3 247.769 3.669 20 0 BHADHN C[C@H](c1ccccc1Cl)N1CC[C@@H]2C[C@@H]2C1 ZINC000661970247 411927431 /nfs/dbraw/zinc/92/74/31/411927431.db2.gz DZQPHRPEKPMXIN-IJLUTSLNSA-N 0 3 235.758 3.743 20 0 BHADHN C[C@H](c1ccccc1Cl)N1CC[C@H]2C[C@H]2C1 ZINC000661970251 411927983 /nfs/dbraw/zinc/92/79/83/411927983.db2.gz DZQPHRPEKPMXIN-WOPDTQHZSA-N 0 3 235.758 3.743 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000661976469 411342283 /nfs/dbraw/zinc/34/22/83/411342283.db2.gz SSSQCCKUTHFHMS-RAIGVLPGSA-N 0 3 235.758 3.743 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1CC[C@H]2C[C@H]2C1 ZINC000661976473 411342491 /nfs/dbraw/zinc/34/24/91/411342491.db2.gz SSSQCCKUTHFHMS-WXHSDQCUSA-N 0 3 235.758 3.743 20 0 BHADHN CCC(CC)CCCN(C)Cc1conc1C ZINC000662034981 411953161 /nfs/dbraw/zinc/95/31/61/411953161.db2.gz CFNWVUUIUCMDAQ-UHFFFAOYSA-N 0 3 238.375 3.631 20 0 BHADHN CCC(CC)CCCN(C)Cc1cncs1 ZINC000662038043 411956180 /nfs/dbraw/zinc/95/61/80/411956180.db2.gz NUYAIMMRVNXSCJ-UHFFFAOYSA-N 0 3 240.416 3.791 20 0 BHADHN CCC(CC)CCCN(C)[C@H](C)c1cnccn1 ZINC000662040071 411957694 /nfs/dbraw/zinc/95/76/94/411957694.db2.gz ZKZLIPQIAARROM-CYBMUJFWSA-N 0 3 249.402 3.686 20 0 BHADHN CCC(CC)CCCN(C)[C@@H](C)c1cnccn1 ZINC000662040073 411958576 /nfs/dbraw/zinc/95/85/76/411958576.db2.gz ZKZLIPQIAARROM-ZDUSSCGKSA-N 0 3 249.402 3.686 20 0 BHADHN Cc1cnc([C@H](C)N2CCC[C@@H](C3CCC3)C2)o1 ZINC000662045633 411962305 /nfs/dbraw/zinc/96/23/05/411962305.db2.gz ZVXCCDDMLVGOKM-GXTWGEPZSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cnc([C@H](C)N2CCC[C@H](C3CCC3)C2)o1 ZINC000662045635 411962383 /nfs/dbraw/zinc/96/23/83/411962383.db2.gz ZVXCCDDMLVGOKM-JSGCOSHPSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cnc([C@@H](C)N2CCC[C@H](C3CCC3)C2)o1 ZINC000662045637 411963517 /nfs/dbraw/zinc/96/35/17/411963517.db2.gz ZVXCCDDMLVGOKM-OCCSQVGLSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cnc([C@@H](C)N2CCC[C@@H](C3CCC3)C2)o1 ZINC000662045638 411962059 /nfs/dbraw/zinc/96/20/59/411962059.db2.gz ZVXCCDDMLVGOKM-TZMCWYRMSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cc(CN2CCCC[C@H]2CC2CCC2)no1 ZINC000662153874 412008454 /nfs/dbraw/zinc/00/84/54/412008454.db2.gz HFXVURGZRYPJJK-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1cc(CN2CCCC[C@@H]2CC2CCC2)no1 ZINC000662153876 412008417 /nfs/dbraw/zinc/00/84/17/412008417.db2.gz HFXVURGZRYPJJK-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1cc(CN2CCCC[C@H]2CC2CCC2)on1 ZINC000662156070 412011626 /nfs/dbraw/zinc/01/16/26/412011626.db2.gz KIQBZJKIUOJOEA-AWEZNQCLSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1cc(CN2CCCC[C@@H]2CC2CCC2)on1 ZINC000662156072 412011233 /nfs/dbraw/zinc/01/12/33/412011233.db2.gz KIQBZJKIUOJOEA-CQSZACIVSA-N 0 3 248.370 3.528 20 0 BHADHN CC[C@@H]1CCC[C@H](C)N1Cc1nc(C)cs1 ZINC000662156781 412010712 /nfs/dbraw/zinc/01/07/12/412010712.db2.gz DUZAQHWDJURDLN-NWDGAFQWSA-N 0 3 238.400 3.605 20 0 BHADHN Cc1nocc1CN1CCCC[C@H]1CC1CCC1 ZINC000662156912 412011768 /nfs/dbraw/zinc/01/17/68/412011768.db2.gz NANFGEKJFREQSL-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1nocc1CN1CCCC[C@@H]1CC1CCC1 ZINC000662156913 412011633 /nfs/dbraw/zinc/01/16/33/412011633.db2.gz NANFGEKJFREQSL-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN CC[C@@H]1CCC[C@H](C)N1Cc1cnc(C)s1 ZINC000662156939 412011099 /nfs/dbraw/zinc/01/10/99/412011099.db2.gz FWSSGOZEPSVWPQ-CMPLNLGQSA-N 0 3 238.400 3.605 20 0 BHADHN CC[C@@H]1CCC[C@H](C)N1Cc1csc(C)n1 ZINC000662157092 411368642 /nfs/dbraw/zinc/36/86/42/411368642.db2.gz IMVPGOHOOMPNHY-GXFFZTMASA-N 0 3 238.400 3.605 20 0 BHADHN Cc1nc(CN2CCCC[C@H]2CC2CCC2)co1 ZINC000662157545 412010567 /nfs/dbraw/zinc/01/05/67/412010567.db2.gz PWXRJHIRSJWFLD-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1nc(CN2CCCC[C@@H]2CC2CCC2)co1 ZINC000662157549 412010926 /nfs/dbraw/zinc/01/09/26/412010926.db2.gz PWXRJHIRSJWFLD-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN CCCCC[C@@H]1CCCCN1Cc1ccno1 ZINC000662158024 412011907 /nfs/dbraw/zinc/01/19/07/412011907.db2.gz ZGWUUYSFHDYSKB-CYBMUJFWSA-N 0 3 236.359 3.609 20 0 BHADHN CCCCC[C@H]1CCCCN1Cc1ccno1 ZINC000662158026 412011209 /nfs/dbraw/zinc/01/12/09/412011209.db2.gz ZGWUUYSFHDYSKB-ZDUSSCGKSA-N 0 3 236.359 3.609 20 0 BHADHN CC[C@@H]1CCC[C@H](C)N1Cc1ccn(C(C)C)n1 ZINC000662158535 412011788 /nfs/dbraw/zinc/01/17/88/412011788.db2.gz SVDYEVFAHMKXNJ-DZGCQCFKSA-N 0 3 249.402 3.617 20 0 BHADHN Cc1cnc(CN2CCCC[C@H]2CC2CCC2)o1 ZINC000662158878 412012934 /nfs/dbraw/zinc/01/29/34/412012934.db2.gz YEDKXNUNBHAWSU-AWEZNQCLSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1cnc(CN2CCCC[C@@H]2CC2CCC2)o1 ZINC000662158880 412013244 /nfs/dbraw/zinc/01/32/44/412013244.db2.gz YEDKXNUNBHAWSU-CQSZACIVSA-N 0 3 248.370 3.528 20 0 BHADHN CC[C@@H]1CCC[C@H](C)N1Cc1cc(C2CC2)no1 ZINC000662159916 412013690 /nfs/dbraw/zinc/01/36/90/412013690.db2.gz DDXGWLDKSJYNOJ-WCQYABFASA-N 0 3 248.370 3.705 20 0 BHADHN Cc1cnc([C@@H](C)N(CCC2CC2)CC2CC2)o1 ZINC000662177798 488143818 /nfs/dbraw/zinc/14/38/18/488143818.db2.gz OZELZSHTYAFLTE-GFCCVEGCSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cnc([C@H](C)N(CCC2CC2)CC2CC2)o1 ZINC000662177799 488144146 /nfs/dbraw/zinc/14/41/46/488144146.db2.gz OZELZSHTYAFLTE-LBPRGKRZSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cccc([C@@H](C)N(C)CC2=CCSC2)c1 ZINC000662268822 412061046 /nfs/dbraw/zinc/06/10/46/412061046.db2.gz MRKKXYRYXUBBCG-CYBMUJFWSA-N 0 3 247.407 3.661 20 0 BHADHN Cc1cccc([C@H](C)N(C)CC2=CCSC2)c1 ZINC000662268823 412060485 /nfs/dbraw/zinc/06/04/85/412060485.db2.gz MRKKXYRYXUBBCG-ZDUSSCGKSA-N 0 3 247.407 3.661 20 0 BHADHN Cc1ccccc1[C@@H](C)N(C)CC1=CCSC1 ZINC000662269140 412060304 /nfs/dbraw/zinc/06/03/04/412060304.db2.gz ZKEVDUIKEDJQAX-CYBMUJFWSA-N 0 3 247.407 3.661 20 0 BHADHN Cc1ccccc1[C@H](C)N(C)CC1=CCSC1 ZINC000662269141 412060572 /nfs/dbraw/zinc/06/05/72/412060572.db2.gz ZKEVDUIKEDJQAX-ZDUSSCGKSA-N 0 3 247.407 3.661 20 0 BHADHN C[C@@H]1c2ccccc2CN1CCCOC(C)(C)C ZINC000662289218 412080147 /nfs/dbraw/zinc/08/01/47/412080147.db2.gz REZGTUUUNSAWDJ-CYBMUJFWSA-N 0 3 247.382 3.768 20 0 BHADHN C[C@H](c1ccccc1Cl)N1CC2CC1(C)C2 ZINC000662381052 412134155 /nfs/dbraw/zinc/13/41/55/412134155.db2.gz NNNAGCKMYXZEOL-CDWSIMAYSA-N 0 3 235.758 3.885 20 0 BHADHN C[C@@H](c1ccccc1Cl)N1CC2CC1(C)C2 ZINC000662381053 412133992 /nfs/dbraw/zinc/13/39/92/412133992.db2.gz NNNAGCKMYXZEOL-IFQILLTASA-N 0 3 235.758 3.885 20 0 BHADHN C[C@H](c1cccc(Cl)c1)N1CC2CC1(C)C2 ZINC000662381832 412133575 /nfs/dbraw/zinc/13/35/75/412133575.db2.gz GTOMWPOMYFHTNJ-CDWSIMAYSA-N 0 3 235.758 3.885 20 0 BHADHN C[C@@H](c1cccc(Cl)c1)N1CC2CC1(C)C2 ZINC000662381833 412133098 /nfs/dbraw/zinc/13/30/98/412133098.db2.gz GTOMWPOMYFHTNJ-IFQILLTASA-N 0 3 235.758 3.885 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)N1CC2CC1(C)C2 ZINC000662382334 412133669 /nfs/dbraw/zinc/13/36/69/412133669.db2.gz SELSPJRTGUCLHZ-CDWSIMAYSA-N 0 3 235.758 3.885 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)N1CC2CC1(C)C2 ZINC000662382335 412133704 /nfs/dbraw/zinc/13/37/04/412133704.db2.gz SELSPJRTGUCLHZ-IFQILLTASA-N 0 3 235.758 3.885 20 0 BHADHN C[C@@H](c1ccc(F)c(F)c1)N1CC2CC1(C)C2 ZINC000662382505 412134710 /nfs/dbraw/zinc/13/47/10/412134710.db2.gz WMZSGZZLIIWIIM-IPWFMCSPSA-N 0 3 237.293 3.510 20 0 BHADHN C[C@H](c1ccc(F)c(F)c1)N1CC2CC1(C)C2 ZINC000662382506 412133225 /nfs/dbraw/zinc/13/32/25/412133225.db2.gz WMZSGZZLIIWIIM-NAUIOFCNSA-N 0 3 237.293 3.510 20 0 BHADHN CC12CC(C1)CN2[C@@H]1CCc2c1cccc2Cl ZINC000662384892 412135675 /nfs/dbraw/zinc/13/56/75/412135675.db2.gz ALDSEBGERMYEOL-CIQACWJJSA-N 0 3 247.769 3.812 20 0 BHADHN CC12CC(C1)CN2[C@H]1CCc2c1cccc2Cl ZINC000662384893 412136473 /nfs/dbraw/zinc/13/64/73/412136473.db2.gz ALDSEBGERMYEOL-CUMGRINNSA-N 0 3 247.769 3.812 20 0 BHADHN CC12CC(C1)CN2Cc1cccc(C(F)F)c1 ZINC000662385015 409685901 /nfs/dbraw/zinc/68/59/01/409685901.db2.gz FTLJQADJYAMJOG-UHFFFAOYSA-N 0 3 237.293 3.609 20 0 BHADHN CC(C)c1cccc(CNCCC(F)(F)F)c1 ZINC000663317325 411623363 /nfs/dbraw/zinc/62/33/63/411623363.db2.gz CWHLTWHFPADJIK-UHFFFAOYSA-N 0 3 245.288 3.852 20 0 BHADHN CC(C)c1cccc(CNC2CC(F)(F)C2)c1 ZINC000663325229 411625464 /nfs/dbraw/zinc/62/54/64/411625464.db2.gz SZBXPRPRPORSAB-UHFFFAOYSA-N 0 3 239.309 3.697 20 0 BHADHN CC(C)c1cccc(CNCCC(C)(F)F)c1 ZINC000663326133 411624895 /nfs/dbraw/zinc/62/48/95/411624895.db2.gz QDRWCMNXKAZCBC-UHFFFAOYSA-N 0 3 241.325 3.945 20 0 BHADHN Cc1ccc(CNCC(C)(C)CC(F)(F)F)o1 ZINC000663354973 411635400 /nfs/dbraw/zinc/63/54/00/411635400.db2.gz BXQJHTWOCKZXIC-UHFFFAOYSA-N 0 3 249.276 3.656 20 0 BHADHN Cc1ccoc1CNCC(C)(C)CC(F)(F)F ZINC000663358383 411634393 /nfs/dbraw/zinc/63/43/93/411634393.db2.gz YAIGQAQLSUTNEM-UHFFFAOYSA-N 0 3 249.276 3.656 20 0 BHADHN C[C@@H](NCC(C)(C)CC(F)(F)F)c1ccco1 ZINC000663479154 411670033 /nfs/dbraw/zinc/67/00/33/411670033.db2.gz NYULZLLWBYMZHZ-SECBINFHSA-N 0 3 249.276 3.909 20 0 BHADHN C[C@H](NCC(C)(C)CC(F)(F)F)c1ccco1 ZINC000663479156 411669547 /nfs/dbraw/zinc/66/95/47/411669547.db2.gz NYULZLLWBYMZHZ-VIFPVBQESA-N 0 3 249.276 3.909 20 0 BHADHN c1ccc2c(c1)nccc2N1C[C@@H]2CCCC[C@@H]21 ZINC000664082271 411845732 /nfs/dbraw/zinc/84/57/32/411845732.db2.gz BOSUQTBWJLADLT-WFASDCNBSA-N 0 3 238.334 3.614 20 0 BHADHN Cc1ccc2nccc(N3CC4CC3(C)C4)c2c1 ZINC000664693101 412010888 /nfs/dbraw/zinc/01/08/88/412010888.db2.gz IKCKACNZMRXZJI-UHFFFAOYSA-N 0 3 238.334 3.532 20 0 BHADHN Cc1cc(N2CC3CC2(C)C3)c2ccccc2n1 ZINC000664693121 412010665 /nfs/dbraw/zinc/01/06/65/412010665.db2.gz UVIQEYINQUKVQL-UHFFFAOYSA-N 0 3 238.334 3.532 20 0 BHADHN CC1(C)CN(CCC2CCC2)[C@H]1c1cccnc1 ZINC000664818579 412025119 /nfs/dbraw/zinc/02/51/19/412025119.db2.gz IFULAXXVBIYWPO-HNNXBMFYSA-N 0 3 244.382 3.655 20 0 BHADHN CC1(C)CN(CCC2CCC2)[C@@H]1c1cccnc1 ZINC000664818587 412024841 /nfs/dbraw/zinc/02/48/41/412024841.db2.gz IFULAXXVBIYWPO-OAHLLOKOSA-N 0 3 244.382 3.655 20 0 BHADHN CC(C)=CCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664820581 412026746 /nfs/dbraw/zinc/02/67/46/412026746.db2.gz POZTXYPGWCEVLV-HNNXBMFYSA-N 0 3 244.382 3.821 20 0 BHADHN CC(C)=CCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664820585 412027812 /nfs/dbraw/zinc/02/78/12/412027812.db2.gz POZTXYPGWCEVLV-OAHLLOKOSA-N 0 3 244.382 3.821 20 0 BHADHN CC(C)C[C@H](C)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000664822067 412026403 /nfs/dbraw/zinc/02/64/03/412026403.db2.gz ULWHPYSHPGODHC-DZGCQCFKSA-N 0 3 246.398 3.899 20 0 BHADHN CC(C)C[C@@H](C)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664822078 412027558 /nfs/dbraw/zinc/02/75/58/412027558.db2.gz ULWHPYSHPGODHC-HIFRSBDPSA-N 0 3 246.398 3.899 20 0 BHADHN CC(C)C[C@@H](C)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000664822081 412027236 /nfs/dbraw/zinc/02/72/36/412027236.db2.gz ULWHPYSHPGODHC-UKRRQHHQSA-N 0 3 246.398 3.899 20 0 BHADHN CC(C)C[C@H](C)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664822085 412026112 /nfs/dbraw/zinc/02/61/12/412026112.db2.gz ULWHPYSHPGODHC-ZFWWWQNUSA-N 0 3 246.398 3.899 20 0 BHADHN CCCCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664822731 412027407 /nfs/dbraw/zinc/02/74/07/412027407.db2.gz JPBZWYOEPBBXQR-AWEZNQCLSA-N 0 3 232.371 3.655 20 0 BHADHN CCCCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664822733 412027009 /nfs/dbraw/zinc/02/70/09/412027009.db2.gz JPBZWYOEPBBXQR-CQSZACIVSA-N 0 3 232.371 3.655 20 0 BHADHN CCC[C@H](C)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000664823425 412026533 /nfs/dbraw/zinc/02/65/33/412026533.db2.gz NEABBVQOQIKHPF-GXTWGEPZSA-N 0 3 232.371 3.653 20 0 BHADHN CCC[C@H](C)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664823428 412026930 /nfs/dbraw/zinc/02/69/30/412026930.db2.gz NEABBVQOQIKHPF-JSGCOSHPSA-N 0 3 232.371 3.653 20 0 BHADHN CCC[C@@H](C)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664823432 412027139 /nfs/dbraw/zinc/02/71/39/412027139.db2.gz NEABBVQOQIKHPF-OCCSQVGLSA-N 0 3 232.371 3.653 20 0 BHADHN CCC[C@@H](C)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000664823435 412027184 /nfs/dbraw/zinc/02/71/84/412027184.db2.gz NEABBVQOQIKHPF-TZMCWYRMSA-N 0 3 232.371 3.653 20 0 BHADHN CC/C=C\CCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664824586 412026448 /nfs/dbraw/zinc/02/64/48/412026448.db2.gz WOZPMLYDIYBFDK-IYKSTZQJSA-N 0 3 244.382 3.821 20 0 BHADHN CC/C=C/CCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664824587 412027158 /nfs/dbraw/zinc/02/71/58/412027158.db2.gz WOZPMLYDIYBFDK-LLYBFZRZSA-N 0 3 244.382 3.821 20 0 BHADHN CC/C=C/CCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664824588 412026215 /nfs/dbraw/zinc/02/62/15/412026215.db2.gz WOZPMLYDIYBFDK-NFAHFFEMSA-N 0 3 244.382 3.821 20 0 BHADHN CC/C=C\CCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664824589 412026229 /nfs/dbraw/zinc/02/62/29/412026229.db2.gz WOZPMLYDIYBFDK-YVACAVLKSA-N 0 3 244.382 3.821 20 0 BHADHN CC(C)=CCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664828083 412026366 /nfs/dbraw/zinc/02/63/66/412026366.db2.gz BQMUXABLUVZWGY-HNNXBMFYSA-N 0 3 244.382 3.821 20 0 BHADHN CC(C)=CCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664828084 412027111 /nfs/dbraw/zinc/02/71/11/412027111.db2.gz BQMUXABLUVZWGY-OAHLLOKOSA-N 0 3 244.382 3.821 20 0 BHADHN CCC[C@H](C)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000664828211 412027848 /nfs/dbraw/zinc/02/78/48/412027848.db2.gz CYXLGRWPBLEMNN-GXTWGEPZSA-N 0 3 232.371 3.653 20 0 BHADHN CCC[C@H](C)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664828212 412026668 /nfs/dbraw/zinc/02/66/68/412026668.db2.gz CYXLGRWPBLEMNN-JSGCOSHPSA-N 0 3 232.371 3.653 20 0 BHADHN CCC[C@@H](C)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664828213 412026435 /nfs/dbraw/zinc/02/64/35/412026435.db2.gz CYXLGRWPBLEMNN-OCCSQVGLSA-N 0 3 232.371 3.653 20 0 BHADHN CCC[C@@H](C)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000664828214 412026895 /nfs/dbraw/zinc/02/68/95/412026895.db2.gz CYXLGRWPBLEMNN-TZMCWYRMSA-N 0 3 232.371 3.653 20 0 BHADHN CC(C)C[C@H](C)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000664828235 412026985 /nfs/dbraw/zinc/02/69/85/412026985.db2.gz DFNBDKNQLWBOID-DZGCQCFKSA-N 0 3 246.398 3.899 20 0 BHADHN CC(C)C[C@@H](C)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664828237 412027280 /nfs/dbraw/zinc/02/72/80/412027280.db2.gz DFNBDKNQLWBOID-HIFRSBDPSA-N 0 3 246.398 3.899 20 0 BHADHN CC(C)C[C@@H](C)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000664828239 412027350 /nfs/dbraw/zinc/02/73/50/412027350.db2.gz DFNBDKNQLWBOID-UKRRQHHQSA-N 0 3 246.398 3.899 20 0 BHADHN CC(C)C[C@H](C)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664828241 412027473 /nfs/dbraw/zinc/02/74/73/412027473.db2.gz DFNBDKNQLWBOID-ZFWWWQNUSA-N 0 3 246.398 3.899 20 0 BHADHN CCCCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664829715 412029126 /nfs/dbraw/zinc/02/91/26/412029126.db2.gz QCNCRAZAXFPQGN-AWEZNQCLSA-N 0 3 232.371 3.655 20 0 BHADHN CCCCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664829717 412028903 /nfs/dbraw/zinc/02/89/03/412028903.db2.gz QCNCRAZAXFPQGN-CQSZACIVSA-N 0 3 232.371 3.655 20 0 BHADHN CC1(C)CN(CCC2CCC2)[C@H]1c1ccncc1 ZINC000664831196 412030097 /nfs/dbraw/zinc/03/00/97/412030097.db2.gz ZVZLCBJUBMXAIN-HNNXBMFYSA-N 0 3 244.382 3.655 20 0 BHADHN CC1(C)CN(CCC2CCC2)[C@@H]1c1ccncc1 ZINC000664831198 412028428 /nfs/dbraw/zinc/02/84/28/412028428.db2.gz ZVZLCBJUBMXAIN-OAHLLOKOSA-N 0 3 244.382 3.655 20 0 BHADHN CC/C=C\CCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834599 412029218 /nfs/dbraw/zinc/02/92/18/412029218.db2.gz YBUQQWPAPJRONO-IYKSTZQJSA-N 0 3 244.382 3.821 20 0 BHADHN CC/C=C/CCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834601 412029549 /nfs/dbraw/zinc/02/95/49/412029549.db2.gz YBUQQWPAPJRONO-LLYBFZRZSA-N 0 3 244.382 3.821 20 0 BHADHN CC/C=C/CCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834603 412030105 /nfs/dbraw/zinc/03/01/05/412030105.db2.gz YBUQQWPAPJRONO-NFAHFFEMSA-N 0 3 244.382 3.821 20 0 BHADHN CC/C=C\CCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834604 412028650 /nfs/dbraw/zinc/02/86/50/412028650.db2.gz YBUQQWPAPJRONO-YVACAVLKSA-N 0 3 244.382 3.821 20 0 BHADHN Cc1cscc1-c1cc(CN(C)C)ccc1F ZINC000665195444 412128648 /nfs/dbraw/zinc/12/86/48/412128648.db2.gz CELLXEWIAWYJIM-UHFFFAOYSA-N 0 3 249.354 3.924 20 0 BHADHN Cc1sccc1-c1cc(CN(C)C)ccc1F ZINC000665195841 412131081 /nfs/dbraw/zinc/13/10/81/412131081.db2.gz RRXPADQRGPVCMK-UHFFFAOYSA-N 0 3 249.354 3.924 20 0 BHADHN Cc1cnc(-c2ccc([C@@H](C)N)c(F)c2)c(C)c1 ZINC000665198820 412129656 /nfs/dbraw/zinc/12/96/56/412129656.db2.gz MEWYBZJGFDLGLA-LLVKDONJSA-N 0 3 244.313 3.524 20 0 BHADHN Cc1cnc(-c2ccc([C@H](C)N)c(F)c2)c(C)c1 ZINC000665198821 412130107 /nfs/dbraw/zinc/13/01/07/412130107.db2.gz MEWYBZJGFDLGLA-NSHDSACASA-N 0 3 244.313 3.524 20 0 BHADHN CC[C@H](NCc1cccc(N)c1)c1ccsc1 ZINC000665232101 412170278 /nfs/dbraw/zinc/17/02/78/412170278.db2.gz FZOYELJPYYOIAV-AWEZNQCLSA-N 0 3 246.379 3.571 20 0 BHADHN CC[C@@H](NCc1cccc(N)c1)c1ccsc1 ZINC000665232102 412165743 /nfs/dbraw/zinc/16/57/43/412165743.db2.gz FZOYELJPYYOIAV-CQSZACIVSA-N 0 3 246.379 3.571 20 0 BHADHN Cc1ncc([C@H](C)N[C@@H]2C[C@H]2CC(C)C)s1 ZINC000666164211 487743435 /nfs/dbraw/zinc/74/34/35/487743435.db2.gz XUTUEBAPMOUBSK-MVWJERBFSA-N 0 3 238.400 3.537 20 0 BHADHN Cc1ncc([C@@H](C)N[C@@H]2C[C@H]2CC(C)C)s1 ZINC000666164212 487743096 /nfs/dbraw/zinc/74/30/96/487743096.db2.gz XUTUEBAPMOUBSK-YUSALJHKSA-N 0 3 238.400 3.537 20 0 BHADHN CC[C@@H](N[C@H](C)c1c[nH]nc1C)c1ccccc1 ZINC000666199119 487803256 /nfs/dbraw/zinc/80/32/56/487803256.db2.gz RNBVXOMOIGJJCX-IAQYHMDHSA-N 0 3 243.354 3.520 20 0 BHADHN CC[C@@H](N[C@@H](C)c1c[nH]nc1C)c1ccccc1 ZINC000666199120 487803033 /nfs/dbraw/zinc/80/30/33/487803033.db2.gz RNBVXOMOIGJJCX-XHDPSFHLSA-N 0 3 243.354 3.520 20 0 BHADHN CC[C@H](N[C@H](C)c1c[nH]nc1C)c1ccccc1 ZINC000666199254 487810160 /nfs/dbraw/zinc/81/01/60/487810160.db2.gz RNBVXOMOIGJJCX-ABAIWWIYSA-N 0 3 243.354 3.520 20 0 BHADHN CC[C@H](N[C@@H](C)c1c[nH]nc1C)c1ccccc1 ZINC000666199255 487810317 /nfs/dbraw/zinc/81/03/17/487810317.db2.gz RNBVXOMOIGJJCX-NHYWBVRUSA-N 0 3 243.354 3.520 20 0 BHADHN F[C@@H]1CCCC[C@H]1NCc1cc2ccccc2[nH]1 ZINC000666436880 487809119 /nfs/dbraw/zinc/80/91/19/487809119.db2.gz JTPCJUCZRKDFFN-UKRRQHHQSA-N 0 3 246.329 3.538 20 0 BHADHN Cc1cc(CN[C@@H]2C[C@H]2c2ccco2)c(C)s1 ZINC000666482086 487817861 /nfs/dbraw/zinc/81/78/61/487817861.db2.gz IRFMOTVIOIKMCH-CHWSQXEVSA-N 0 3 247.363 3.604 20 0 BHADHN Clc1ccc(CN2CC[C@@H](C3CCC3)C2)o1 ZINC000666488312 487819580 /nfs/dbraw/zinc/81/95/80/487819580.db2.gz YDDGZFPLWCQTKU-LLVKDONJSA-N 0 3 239.746 3.555 20 0 BHADHN Clc1ccc(CN2CC[C@H](C3CCC3)C2)o1 ZINC000666488313 487819160 /nfs/dbraw/zinc/81/91/60/487819160.db2.gz YDDGZFPLWCQTKU-NSHDSACASA-N 0 3 239.746 3.555 20 0 BHADHN CC1CCN(Cc2cc3ccncc3s2)CC1 ZINC000667473858 488019917 /nfs/dbraw/zinc/01/99/17/488019917.db2.gz XIXXSEMCFGPROX-UHFFFAOYSA-N 0 3 246.379 3.528 20 0 BHADHN Cc1cccc2[nH]c(CN3C4CCC3CC4)cc21 ZINC000667493216 488025928 /nfs/dbraw/zinc/02/59/28/488025928.db2.gz MWJFCXONBIKNBG-UHFFFAOYSA-N 0 3 240.350 3.603 20 0 BHADHN Cc1ccc2cc(CN3C4CCC3CC4)[nH]c2c1 ZINC000667493539 488025659 /nfs/dbraw/zinc/02/56/59/488025659.db2.gz VPICRNROPZZCLC-UHFFFAOYSA-N 0 3 240.350 3.603 20 0 BHADHN CCN(C)Cc1ccc(-c2scnc2C)cc1 ZINC000667495485 488026811 /nfs/dbraw/zinc/02/68/11/488026811.db2.gz LLPYCDOASNCQJB-UHFFFAOYSA-N 0 3 246.379 3.570 20 0 BHADHN Cc1ccc2cc(CN3CC=C(C)CC3)[nH]c2c1 ZINC000667649921 488072586 /nfs/dbraw/zinc/07/25/86/488072586.db2.gz GRYZXZMJMIBKOZ-UHFFFAOYSA-N 0 3 240.350 3.628 20 0 BHADHN Cc1cccc2[nH]c(CN3CC=C(C)CC3)cc21 ZINC000667650054 487696369 /nfs/dbraw/zinc/69/63/69/487696369.db2.gz KTNDIMGYGRSRKP-UHFFFAOYSA-N 0 3 240.350 3.628 20 0 BHADHN Cc1ccc2cc(CN(C)CCC3CC3)[nH]c2c1 ZINC000667708503 488095751 /nfs/dbraw/zinc/09/57/51/488095751.db2.gz DPNSZYKOHZZCCD-UHFFFAOYSA-N 0 3 242.366 3.708 20 0 BHADHN Cc1cccc2[nH]c(CN(C)CCC3CC3)cc21 ZINC000667708629 488096504 /nfs/dbraw/zinc/09/65/04/488096504.db2.gz IHTGWBXURPDSCL-UHFFFAOYSA-N 0 3 242.366 3.708 20 0 BHADHN Cc1cccc2[nH]c(CN3CC[C@H]3C(C)C)cc21 ZINC000667758312 488107976 /nfs/dbraw/zinc/10/79/76/488107976.db2.gz AOYNMJIACGVXGE-INIZCTEOSA-N 0 3 242.366 3.707 20 0 BHADHN Cc1cccc2[nH]c(CN3CC[C@@H]3C(C)C)cc21 ZINC000667758313 488108305 /nfs/dbraw/zinc/10/83/05/488108305.db2.gz AOYNMJIACGVXGE-MRXNPFEDSA-N 0 3 242.366 3.707 20 0 BHADHN Cc1ccc2cc(CN3CC[C@H]3C(C)C)[nH]c2c1 ZINC000667758730 488108505 /nfs/dbraw/zinc/10/85/05/488108505.db2.gz MXWMNZICFVSEQF-INIZCTEOSA-N 0 3 242.366 3.707 20 0 BHADHN Cc1ccc2cc(CN3CC[C@@H]3C(C)C)[nH]c2c1 ZINC000667758731 488107714 /nfs/dbraw/zinc/10/77/14/488107714.db2.gz MXWMNZICFVSEQF-MRXNPFEDSA-N 0 3 242.366 3.707 20 0 BHADHN CC(C)[C@H]1CCN1Cc1cc2ccncc2s1 ZINC000667758968 488107929 /nfs/dbraw/zinc/10/79/29/488107929.db2.gz VBXHLWRRLHGWHQ-CYBMUJFWSA-N 0 3 246.379 3.527 20 0 BHADHN CC(C)[C@@H]1CCN1Cc1cc2ccncc2s1 ZINC000667758969 488109454 /nfs/dbraw/zinc/10/94/54/488109454.db2.gz VBXHLWRRLHGWHQ-ZDUSSCGKSA-N 0 3 246.379 3.527 20 0 BHADHN Cc1ccc2cc(CN3CC(C(C)C)C3)[nH]c2c1 ZINC000668090301 487834660 /nfs/dbraw/zinc/83/46/60/487834660.db2.gz KCHKZCHKABNKEG-UHFFFAOYSA-N 0 3 242.366 3.564 20 0 BHADHN Cc1cccc2[nH]c(CN3CC(C(C)C)C3)cc21 ZINC000668090338 487834791 /nfs/dbraw/zinc/83/47/91/487834791.db2.gz LBUIECPAVMWUNI-UHFFFAOYSA-N 0 3 242.366 3.564 20 0 BHADHN Cc1cccc2[nH]c(CN3CCC=C(C)C3)cc21 ZINC000668100154 488203112 /nfs/dbraw/zinc/20/31/12/488203112.db2.gz DLDPUNVKPUZLIF-UHFFFAOYSA-N 0 3 240.350 3.628 20 0 BHADHN Cc1ccc2cc(CN3CCC=C(C)C3)[nH]c2c1 ZINC000668100524 488203199 /nfs/dbraw/zinc/20/31/99/488203199.db2.gz PCGLWHIJRFLHBK-UHFFFAOYSA-N 0 3 240.350 3.628 20 0 BHADHN CC[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C)CF ZINC000668174824 487863938 /nfs/dbraw/zinc/86/39/38/487863938.db2.gz ZREJIUPLCXSCRL-GWCFXTLKSA-N 0 3 243.753 3.609 20 0 BHADHN CC[C@H](Cc1ccc(Cl)cc1)N[C@@H](C)CF ZINC000668174825 487864064 /nfs/dbraw/zinc/86/40/64/487864064.db2.gz ZREJIUPLCXSCRL-GXFFZTMASA-N 0 3 243.753 3.609 20 0 BHADHN CC[C@@H](Cc1ccc(Cl)cc1)N[C@H](C)CF ZINC000668174826 487863986 /nfs/dbraw/zinc/86/39/86/487863986.db2.gz ZREJIUPLCXSCRL-MFKMUULPSA-N 0 3 243.753 3.609 20 0 BHADHN CC[C@H](Cc1ccc(Cl)cc1)N[C@H](C)CF ZINC000668174827 487863977 /nfs/dbraw/zinc/86/39/77/487863977.db2.gz ZREJIUPLCXSCRL-ZWNOBZJWSA-N 0 3 243.753 3.609 20 0 BHADHN CCC1(C)CN(Cc2cc3ccncc3s2)C1 ZINC000668233627 487506644 /nfs/dbraw/zinc/50/66/44/487506644.db2.gz GAGHWBLCSDRNPZ-UHFFFAOYSA-N 0 3 246.379 3.528 20 0 BHADHN c1c2ccccc2[nH]c1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299633 487635597 /nfs/dbraw/zinc/63/55/97/487635597.db2.gz NKJVCIKYJJKLQR-BBRMVZONSA-N 0 3 240.350 3.542 20 0 BHADHN CC(C)=CCC[C@H](C)CCN(C)Cc1cnc[nH]1 ZINC000668422266 487727824 /nfs/dbraw/zinc/72/78/24/487727824.db2.gz WKJIJRPOTRIAHX-AWEZNQCLSA-N 0 3 249.402 3.614 20 0 BHADHN CC(C)=CCC[C@@H](C)CCN(C)Cc1cnc[nH]1 ZINC000668422267 487727500 /nfs/dbraw/zinc/72/75/00/487727500.db2.gz WKJIJRPOTRIAHX-CQSZACIVSA-N 0 3 249.402 3.614 20 0 BHADHN Cc1ccoc1CN1CCC(c2ccco2)CC1 ZINC000668462545 487784941 /nfs/dbraw/zinc/78/49/41/487784941.db2.gz PDNPXYAOPIUDIY-UHFFFAOYSA-N 0 3 245.322 3.561 20 0 BHADHN Cc1occc1CN1CCC(c2ccco2)CC1 ZINC000668462787 487785529 /nfs/dbraw/zinc/78/55/29/487785529.db2.gz IZGJUOUDPVQURR-UHFFFAOYSA-N 0 3 245.322 3.561 20 0 BHADHN Cc1ccc(CN2CCC(c3ccco3)CC2)o1 ZINC000668463073 490266330 /nfs/dbraw/zinc/26/63/30/490266330.db2.gz VGUQHPKHCJYSNI-UHFFFAOYSA-N 0 3 245.322 3.561 20 0 BHADHN CC(C)[C@H]1CCC[C@H]1N[C@@H](C)c1cscn1 ZINC000668502205 487859394 /nfs/dbraw/zinc/85/93/94/487859394.db2.gz KQJYVXKZWGRXFG-QJPTWQEYSA-N 0 3 238.400 3.618 20 0 BHADHN CC(C)[C@@H]1CCC[C@H]1N[C@@H](C)c1cscn1 ZINC000668502208 487859365 /nfs/dbraw/zinc/85/93/65/487859365.db2.gz KQJYVXKZWGRXFG-SDDRHHMPSA-N 0 3 238.400 3.618 20 0 BHADHN CC(C)[C@@H]1CCC[C@@H]1N[C@@H](C)c1cscn1 ZINC000668502209 487859419 /nfs/dbraw/zinc/85/94/19/487859419.db2.gz KQJYVXKZWGRXFG-SRVKXCTJSA-N 0 3 238.400 3.618 20 0 BHADHN CC(C)[C@H]1CCC[C@@H]1N[C@@H](C)c1cscn1 ZINC000668502213 487859400 /nfs/dbraw/zinc/85/94/00/487859400.db2.gz KQJYVXKZWGRXFG-TUAOUCFPSA-N 0 3 238.400 3.618 20 0 BHADHN CC[C@]1(C)CCC[C@H]1N[C@@H](C)c1cscn1 ZINC000668503676 487860125 /nfs/dbraw/zinc/86/01/25/487860125.db2.gz MQPXZYPNANYXKP-CYZMBNFOSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@]1(C)CCC[C@@H]1N[C@H](C)c1cscn1 ZINC000668503690 487860071 /nfs/dbraw/zinc/86/00/71/487860071.db2.gz MQPXZYPNANYXKP-KGYLQXTDSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@]1(C)CCC[C@H]1N[C@H](C)c1cscn1 ZINC000668503691 487860192 /nfs/dbraw/zinc/86/01/92/487860192.db2.gz MQPXZYPNANYXKP-RAIGVLPGSA-N 0 3 238.400 3.763 20 0 BHADHN CC[C@]1(C)CCC[C@@H]1N[C@@H](C)c1cscn1 ZINC000668503692 487860220 /nfs/dbraw/zinc/86/02/20/487860220.db2.gz MQPXZYPNANYXKP-WCFLWFBJSA-N 0 3 238.400 3.763 20 0 BHADHN C[C@H](N[C@@H]1CCCC12CCC2)c1cscn1 ZINC000668504525 541326135 /nfs/dbraw/zinc/32/61/35/541326135.db2.gz SAXBFAJRDCIRGU-CMPLNLGQSA-N 0 3 236.384 3.517 20 0 BHADHN C[C@H](N[C@H]1CCCC12CCC2)c1cscn1 ZINC000668504526 541326172 /nfs/dbraw/zinc/32/61/72/541326172.db2.gz SAXBFAJRDCIRGU-JQWIXIFHSA-N 0 3 236.384 3.517 20 0 BHADHN C[C@@H](N[C@H]1CCCC12CCC2)c1cscn1 ZINC000668504527 490339227 /nfs/dbraw/zinc/33/92/27/490339227.db2.gz SAXBFAJRDCIRGU-PWSUYJOCSA-N 0 3 236.384 3.517 20 0 BHADHN C[C@@H](N[C@@H]1CCCC12CCC2)c1cscn1 ZINC000668504528 490339197 /nfs/dbraw/zinc/33/91/97/490339197.db2.gz SAXBFAJRDCIRGU-ZYHUDNBSSA-N 0 3 236.384 3.517 20 0 BHADHN C[C@H](N[C@H]1[C@@H]2CCC[C@@H]21)c1cc2ccccc2o1 ZINC000668669198 488088484 /nfs/dbraw/zinc/08/84/84/488088484.db2.gz OCQITJKCGQSTFF-CNXAATOLSA-N 0 3 241.334 3.882 20 0 BHADHN C[C@@H](N[C@H]1[C@@H]2CCC[C@@H]21)c1cc2ccccc2o1 ZINC000668669199 488088418 /nfs/dbraw/zinc/08/84/18/488088418.db2.gz OCQITJKCGQSTFF-KBNOKHGBSA-N 0 3 241.334 3.882 20 0 BHADHN C[C@H](N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc2ccccc2o1 ZINC000668669200 488088443 /nfs/dbraw/zinc/08/84/43/488088443.db2.gz OCQITJKCGQSTFF-VFFTVRQLSA-N 0 3 241.334 3.882 20 0 BHADHN C[C@@H](N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc2ccccc2o1 ZINC000668669201 488088464 /nfs/dbraw/zinc/08/84/64/488088464.db2.gz OCQITJKCGQSTFF-YGSHXTJESA-N 0 3 241.334 3.882 20 0 BHADHN CCC[C@@H](C)N1CC[C@@H]1c1cccc(F)c1 ZINC000669690428 487658242 /nfs/dbraw/zinc/65/82/42/487658242.db2.gz MMVHBPNDCZBPLP-BXUZGUMPSA-N 0 3 221.319 3.761 20 0 BHADHN CCC[C@H](C)N1CC[C@H]1c1cccc(F)c1 ZINC000669690429 487658776 /nfs/dbraw/zinc/65/87/76/487658776.db2.gz MMVHBPNDCZBPLP-FZMZJTMJSA-N 0 3 221.319 3.761 20 0 BHADHN CCC[C@@H](C)N1CC[C@H]1c1cccc(F)c1 ZINC000669690430 487658646 /nfs/dbraw/zinc/65/86/46/487658646.db2.gz MMVHBPNDCZBPLP-RISCZKNCSA-N 0 3 221.319 3.761 20 0 BHADHN CCC[C@H](C)N1CC[C@@H]1c1cccc(F)c1 ZINC000669690431 487658272 /nfs/dbraw/zinc/65/82/72/487658272.db2.gz MMVHBPNDCZBPLP-SMDDNHRTSA-N 0 3 221.319 3.761 20 0 BHADHN Cc1ccccc1[C@]1(F)CCN(C2CCCC2)C1 ZINC000669698253 487693159 /nfs/dbraw/zinc/69/31/59/487693159.db2.gz BOFKDWBPIVYUCG-INIZCTEOSA-N 0 3 247.357 3.808 20 0 BHADHN Cc1ccccc1[C@@]1(F)CCN(C2CCCC2)C1 ZINC000669698254 487693137 /nfs/dbraw/zinc/69/31/37/487693137.db2.gz BOFKDWBPIVYUCG-MRXNPFEDSA-N 0 3 247.357 3.808 20 0 BHADHN CCC[C@@H](N[C@H]1CCC12CCC2)c1ccccn1 ZINC000669699488 487695290 /nfs/dbraw/zinc/69/52/90/487695290.db2.gz PMCKZJFRFUPMQZ-CABCVRRESA-N 0 3 244.382 3.845 20 0 BHADHN CCC[C@H](N[C@H]1CCC12CCC2)c1ccccn1 ZINC000669699489 487695847 /nfs/dbraw/zinc/69/58/47/487695847.db2.gz PMCKZJFRFUPMQZ-GJZGRUSLSA-N 0 3 244.382 3.845 20 0 BHADHN CCC[C@@H](N[C@@H]1CCC12CCC2)c1ccccn1 ZINC000669699490 487695686 /nfs/dbraw/zinc/69/56/86/487695686.db2.gz PMCKZJFRFUPMQZ-HUUCEWRRSA-N 0 3 244.382 3.845 20 0 BHADHN CCC[C@H](N[C@@H]1CCC12CCC2)c1ccccn1 ZINC000669699491 487695367 /nfs/dbraw/zinc/69/53/67/487695367.db2.gz PMCKZJFRFUPMQZ-LSDHHAIUSA-N 0 3 244.382 3.845 20 0 BHADHN Cc1cc([C@H](C)N[C@@H]2CCC(F)(F)C2)oc1C ZINC000669702951 487700074 /nfs/dbraw/zinc/70/00/74/487700074.db2.gz JXOPWMOUNZUNSJ-GXSJLCMTSA-N 0 3 243.297 3.735 20 0 BHADHN Cc1cc([C@@H](C)N[C@H]2CCC(F)(F)C2)oc1C ZINC000669702952 487699922 /nfs/dbraw/zinc/69/99/22/487699922.db2.gz JXOPWMOUNZUNSJ-KOLCDFICSA-N 0 3 243.297 3.735 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H]2CCC(F)(F)C2)oc1C ZINC000669702953 487699910 /nfs/dbraw/zinc/69/99/10/487699910.db2.gz JXOPWMOUNZUNSJ-MWLCHTKSSA-N 0 3 243.297 3.735 20 0 BHADHN Cc1cc([C@H](C)N[C@H]2CCC(F)(F)C2)oc1C ZINC000669702954 487700021 /nfs/dbraw/zinc/70/00/21/487700021.db2.gz JXOPWMOUNZUNSJ-ONGXEEELSA-N 0 3 243.297 3.735 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@@H]1C1CCC1 ZINC000669847358 487881356 /nfs/dbraw/zinc/88/13/56/487881356.db2.gz VOWYMQGIPFWWBK-CUOATXAZSA-N 0 3 248.370 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@H]1CC[C@@H]1C1CCC1 ZINC000669847359 487881613 /nfs/dbraw/zinc/88/16/13/487881613.db2.gz VOWYMQGIPFWWBK-FZZIBODNSA-N 0 3 248.370 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@H]1CC[C@H]1C1CCC1 ZINC000669847360 487881101 /nfs/dbraw/zinc/88/11/01/487881101.db2.gz VOWYMQGIPFWWBK-HERUPUMHSA-N 0 3 248.370 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@H]1C1CCC1 ZINC000669847361 487881657 /nfs/dbraw/zinc/88/16/57/487881657.db2.gz VOWYMQGIPFWWBK-QCZZGDTMSA-N 0 3 248.370 3.521 20 0 BHADHN Cc1ccc(CN[C@H](C)c2ccsc2)c(C)n1 ZINC000669937716 487941936 /nfs/dbraw/zinc/94/19/36/487941936.db2.gz QAFAGZMIMQWPLL-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc(CN[C@@H](C)c2ccsc2)c(C)n1 ZINC000669937717 487941652 /nfs/dbraw/zinc/94/16/52/487941652.db2.gz QAFAGZMIMQWPLL-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN Clc1ccsc1CN1CCC2(CC2)CC1 ZINC000670084628 488073179 /nfs/dbraw/zinc/07/31/79/488073179.db2.gz DQEAVADGVPKWAY-UHFFFAOYSA-N 0 3 241.787 3.778 20 0 BHADHN Cc1ccc(CN(C)C[C@@H](C)C(C)(C)C)o1 ZINC000670261616 487854888 /nfs/dbraw/zinc/85/48/88/487854888.db2.gz KOJLGYCRDGMZOD-LLVKDONJSA-N 0 3 223.360 3.702 20 0 BHADHN Cc1ccc(CN(C)C[C@H](C)C(C)(C)C)o1 ZINC000670261617 487854912 /nfs/dbraw/zinc/85/49/12/487854912.db2.gz KOJLGYCRDGMZOD-NSHDSACASA-N 0 3 223.360 3.702 20 0 BHADHN Cc1ncc(CN(C)C[C@H](C)C(C)(C)C)s1 ZINC000670262558 487860289 /nfs/dbraw/zinc/86/02/89/487860289.db2.gz MQFUOVCAGQAJNY-JTQLQIEISA-N 0 3 240.416 3.566 20 0 BHADHN Cc1ncc(CN(C)C[C@@H](C)C(C)(C)C)s1 ZINC000670262559 487859964 /nfs/dbraw/zinc/85/99/64/487859964.db2.gz MQFUOVCAGQAJNY-SNVBAGLBSA-N 0 3 240.416 3.566 20 0 BHADHN C[C@H](CN1CCCC[C@@H]1c1ncc[nH]1)C(C)(C)C ZINC000670263057 487862251 /nfs/dbraw/zinc/86/22/51/487862251.db2.gz AHYUEWPCMDJUHQ-CHWSQXEVSA-N 0 3 249.402 3.619 20 0 BHADHN C[C@H](CN1CCCC[C@H]1c1ncc[nH]1)C(C)(C)C ZINC000670263058 487862082 /nfs/dbraw/zinc/86/20/82/487862082.db2.gz AHYUEWPCMDJUHQ-OLZOCXBDSA-N 0 3 249.402 3.619 20 0 BHADHN C[C@@H](CN1CCCC[C@@H]1c1ncc[nH]1)C(C)(C)C ZINC000670263059 487862135 /nfs/dbraw/zinc/86/21/35/487862135.db2.gz AHYUEWPCMDJUHQ-QWHCGFSZSA-N 0 3 249.402 3.619 20 0 BHADHN C[C@@H](CN1CCCC[C@H]1c1ncc[nH]1)C(C)(C)C ZINC000670263060 487862065 /nfs/dbraw/zinc/86/20/65/487862065.db2.gz AHYUEWPCMDJUHQ-STQMWFEESA-N 0 3 249.402 3.619 20 0 BHADHN Cc1ncsc1CN(C)C[C@H](C)C(C)(C)C ZINC000670263590 487863307 /nfs/dbraw/zinc/86/33/07/487863307.db2.gz CHWIKDOLSVQHLI-JTQLQIEISA-N 0 3 240.416 3.566 20 0 BHADHN Cc1ncsc1CN(C)C[C@@H](C)C(C)(C)C ZINC000670263591 487863552 /nfs/dbraw/zinc/86/35/52/487863552.db2.gz CHWIKDOLSVQHLI-SNVBAGLBSA-N 0 3 240.416 3.566 20 0 BHADHN Cc1cccc(CN(C)C[C@@H](C)C(C)(C)C)n1 ZINC000670264822 487868045 /nfs/dbraw/zinc/86/80/45/487868045.db2.gz HKHVHAAUXYPXKR-GFCCVEGCSA-N 0 3 234.387 3.504 20 0 BHADHN Cc1cccc(CN(C)C[C@H](C)C(C)(C)C)n1 ZINC000670264823 487868015 /nfs/dbraw/zinc/86/80/15/487868015.db2.gz HKHVHAAUXYPXKR-LBPRGKRZSA-N 0 3 234.387 3.504 20 0 BHADHN CC(C)c1cc(CNC[C@@H](C)C(C)(C)C)on1 ZINC000670267067 487873725 /nfs/dbraw/zinc/87/37/25/487873725.db2.gz OMEUDGKZXOJCGE-LLVKDONJSA-N 0 3 238.375 3.570 20 0 BHADHN CC(C)c1cc(CNC[C@H](C)C(C)(C)C)on1 ZINC000670267068 487873982 /nfs/dbraw/zinc/87/39/82/487873982.db2.gz OMEUDGKZXOJCGE-NSHDSACASA-N 0 3 238.375 3.570 20 0 BHADHN Cc1ccc(CN(C)C[C@@H](C)C(C)(C)C)nc1 ZINC000670270131 487885061 /nfs/dbraw/zinc/88/50/61/487885061.db2.gz YAGAASSJPGDOFM-CYBMUJFWSA-N 0 3 234.387 3.504 20 0 BHADHN Cc1ccc(CN(C)C[C@H](C)C(C)(C)C)nc1 ZINC000670270132 487885244 /nfs/dbraw/zinc/88/52/44/487885244.db2.gz YAGAASSJPGDOFM-ZDUSSCGKSA-N 0 3 234.387 3.504 20 0 BHADHN Cc1ccc(CN(CCCCCF)C2CC2)o1 ZINC000671240281 487872455 /nfs/dbraw/zinc/87/24/55/487872455.db2.gz XIKDPFSTHMWYIX-UHFFFAOYSA-N 0 3 239.334 3.692 20 0 BHADHN FCCCCCN1CC[C@H]1c1cccc(F)c1 ZINC000671241880 487874362 /nfs/dbraw/zinc/87/43/62/487874362.db2.gz NSQYHFYXKHBPOV-AWEZNQCLSA-N 0 3 239.309 3.712 20 0 BHADHN FCCCCCN1CC[C@@H]1c1cccc(F)c1 ZINC000671241881 487874865 /nfs/dbraw/zinc/87/48/65/487874865.db2.gz NSQYHFYXKHBPOV-CQSZACIVSA-N 0 3 239.309 3.712 20 0 BHADHN CN(CCC(F)(F)F)C(C)(C)c1ccccc1 ZINC000671245710 487888591 /nfs/dbraw/zinc/88/85/91/487888591.db2.gz KZSKZZZAKCIGTR-UHFFFAOYSA-N 0 3 245.288 3.806 20 0 BHADHN CC(C)CN(Cc1ccco1)Cc1ccccc1 ZINC000671282381 488048002 /nfs/dbraw/zinc/04/80/02/488048002.db2.gz PKDYMXIFUAPDHC-UHFFFAOYSA-N 0 3 243.350 3.938 20 0 BHADHN CCC1CC(N[C@H](C)c2cccc(F)c2F)C1 ZINC000671298381 487493109 /nfs/dbraw/zinc/49/31/09/487493109.db2.gz YYIMECHBOFOKMM-KPPDAEKUSA-N 0 3 239.309 3.804 20 0 BHADHN CCC1CC(N[C@@H](C)c2cccc(F)c2F)C1 ZINC000671298382 487493771 /nfs/dbraw/zinc/49/37/71/487493771.db2.gz YYIMECHBOFOKMM-WHXUTIOJSA-N 0 3 239.309 3.804 20 0 BHADHN Cc1ccc(CN(C)CC(C(C)C)C(C)C)nc1 ZINC000671307728 487622524 /nfs/dbraw/zinc/62/25/24/487622524.db2.gz KCAMGZQGANESLD-UHFFFAOYSA-N 0 3 248.414 3.750 20 0 BHADHN CN(Cc1ccco1)C(C)(C)c1ccccc1 ZINC000671309170 487625456 /nfs/dbraw/zinc/62/54/56/487625456.db2.gz FMKYAWQPPJSDSV-UHFFFAOYSA-N 0 3 229.323 3.647 20 0 BHADHN Cc1ccc(CN(C)C(C)(C)c2ccccc2)o1 ZINC000671309339 487624817 /nfs/dbraw/zinc/62/48/17/487624817.db2.gz VVVGIZPNPKGRFQ-UHFFFAOYSA-N 0 3 243.350 3.955 20 0 BHADHN Cc1ccoc1CN(C)C(C)(C)c1ccccc1 ZINC000671309558 487625143 /nfs/dbraw/zinc/62/51/43/487625143.db2.gz PVOBRUONQSVILX-UHFFFAOYSA-N 0 3 243.350 3.955 20 0 BHADHN CCCN(CCCCF)Cc1ccccc1F ZINC000671678824 487685594 /nfs/dbraw/zinc/68/55/94/487685594.db2.gz PUISFMWIFIUGOS-UHFFFAOYSA-N 0 3 241.325 3.787 20 0 BHADHN Fc1cccc(CN2CCC3(CCC3)CC2)c1 ZINC000671728055 487709665 /nfs/dbraw/zinc/70/96/65/487709665.db2.gz IDGIGPRSRGPKCV-UHFFFAOYSA-N 0 3 233.330 3.592 20 0 BHADHN Fc1ccc(CN2CCC3(CCC3)CC2)cc1 ZINC000671728598 487711240 /nfs/dbraw/zinc/71/12/40/487711240.db2.gz XPUAZEUZXDELEF-UHFFFAOYSA-N 0 3 233.330 3.592 20 0 BHADHN Fc1ccccc1CN1CCC2(CCC2)CC1 ZINC000671728749 487711116 /nfs/dbraw/zinc/71/11/16/487711116.db2.gz CPZCCCTZKJIYPW-UHFFFAOYSA-N 0 3 233.330 3.592 20 0 BHADHN Cc1ccc2nccc(N3CCC[C@H]4C[C@H]43)c2c1 ZINC000672322908 488251104 /nfs/dbraw/zinc/25/11/04/488251104.db2.gz RGYFCYBZKGUPBC-BLLLJJGKSA-N 0 3 238.334 3.532 20 0 BHADHN Cc1ccc2nccc(N3CCC[C@@H]4C[C@@H]43)c2c1 ZINC000672322911 487898452 /nfs/dbraw/zinc/89/84/52/487898452.db2.gz RGYFCYBZKGUPBC-WBMJQRKESA-N 0 3 238.334 3.532 20 0 BHADHN Cc1cc(N2CCC[C@@H]3C[C@@H]32)c2ccccc2n1 ZINC000672322976 487901335 /nfs/dbraw/zinc/90/13/35/487901335.db2.gz TVAYEHARNIFYKG-DOMZBBRYSA-N 0 3 238.334 3.532 20 0 BHADHN Cc1cc(N2CCC[C@H]3C[C@H]32)c2ccccc2n1 ZINC000672322978 487901389 /nfs/dbraw/zinc/90/13/89/487901389.db2.gz TVAYEHARNIFYKG-SWLSCSKDSA-N 0 3 238.334 3.532 20 0 BHADHN FC1(F)CCC[C@@H]1N[C@H]1CCCC[C@@H]1C1CC1 ZINC000672622941 488262462 /nfs/dbraw/zinc/26/24/62/488262462.db2.gz ZOZMBVPIDMCJEM-AGIUHOORSA-N 0 3 243.341 3.733 20 0 BHADHN FC1(F)CCC[C@@H]1N[C@H]1CCCC[C@H]1C1CC1 ZINC000672622942 488262509 /nfs/dbraw/zinc/26/25/09/488262509.db2.gz ZOZMBVPIDMCJEM-AVGNSLFASA-N 0 3 243.341 3.733 20 0 BHADHN FC1(F)CCC[C@@H]1N[C@@H]1CCCC[C@@H]1C1CC1 ZINC000672622943 488262311 /nfs/dbraw/zinc/26/23/11/488262311.db2.gz ZOZMBVPIDMCJEM-UPJWGTAASA-N 0 3 243.341 3.733 20 0 BHADHN FC1(F)CCC[C@@H]1N[C@@H]1CCCC[C@H]1C1CC1 ZINC000672622944 488262445 /nfs/dbraw/zinc/26/24/45/488262445.db2.gz ZOZMBVPIDMCJEM-XQQFMLRXSA-N 0 3 243.341 3.733 20 0 BHADHN C[C@H](CF)NCc1cc(-c2ccccc2)cs1 ZINC000673619159 488298211 /nfs/dbraw/zinc/29/82/11/488298211.db2.gz KRNWGPFMWZMHFP-LLVKDONJSA-N 0 3 249.354 3.863 20 0 BHADHN CC(C)CCCN[C@@H]1c2ccccc2O[C@@H]1C ZINC000673950254 487490075 /nfs/dbraw/zinc/49/00/75/487490075.db2.gz CTRKWCLSEFRMBX-DOMZBBRYSA-N 0 3 233.355 3.534 20 0 BHADHN CC(C)CCCN[C@H]1c2ccccc2O[C@@H]1C ZINC000673950255 487490123 /nfs/dbraw/zinc/49/01/23/487490123.db2.gz CTRKWCLSEFRMBX-IUODEOHRSA-N 0 3 233.355 3.534 20 0 BHADHN CC(C)CCCN[C@H]1c2ccccc2O[C@H]1C ZINC000673950257 487489886 /nfs/dbraw/zinc/48/98/86/487489886.db2.gz CTRKWCLSEFRMBX-SWLSCSKDSA-N 0 3 233.355 3.534 20 0 BHADHN CC(C)CCCN[C@@H]1c2ccccc2O[C@H]1C ZINC000673950259 487490158 /nfs/dbraw/zinc/49/01/58/487490158.db2.gz CTRKWCLSEFRMBX-WFASDCNBSA-N 0 3 233.355 3.534 20 0 BHADHN Fc1cccc([C@@H]2CCN2CC2CCCC2)c1 ZINC000674009300 487497852 /nfs/dbraw/zinc/49/78/52/487497852.db2.gz GRMNSNCWYDXKQZ-HNNXBMFYSA-N 0 3 233.330 3.763 20 0 BHADHN Fc1cccc([C@H]2CCN2CC2CCCC2)c1 ZINC000674009301 487498440 /nfs/dbraw/zinc/49/84/40/487498440.db2.gz GRMNSNCWYDXKQZ-OAHLLOKOSA-N 0 3 233.330 3.763 20 0 BHADHN CCCCCN1CC[C@H]1c1cccc(F)c1 ZINC000674011046 487497961 /nfs/dbraw/zinc/49/79/61/487497961.db2.gz UGRMDHVUCWICST-AWEZNQCLSA-N 0 3 221.319 3.763 20 0 BHADHN CCCCCN1CC[C@@H]1c1cccc(F)c1 ZINC000674011050 487498553 /nfs/dbraw/zinc/49/85/53/487498553.db2.gz UGRMDHVUCWICST-CQSZACIVSA-N 0 3 221.319 3.763 20 0 BHADHN CC(C)CCN1CC[C@H]1c1cccc(F)c1 ZINC000674013264 487501170 /nfs/dbraw/zinc/50/11/70/487501170.db2.gz MSSBWHZHTGNFRE-AWEZNQCLSA-N 0 3 221.319 3.619 20 0 BHADHN CC(C)CCN1CC[C@@H]1c1cccc(F)c1 ZINC000674013265 487501420 /nfs/dbraw/zinc/50/14/20/487501420.db2.gz MSSBWHZHTGNFRE-CQSZACIVSA-N 0 3 221.319 3.619 20 0 BHADHN C[C@H](c1ccccc1)N(C)Cc1ccc(O)cc1 ZINC000674284737 487545636 /nfs/dbraw/zinc/54/56/36/487545636.db2.gz YQUONBIWPKFCLW-CYBMUJFWSA-N 0 3 241.334 3.585 20 0 BHADHN C[C@@H](c1ccccc1)N(C)Cc1ccc(O)cc1 ZINC000674284738 487545803 /nfs/dbraw/zinc/54/58/03/487545803.db2.gz YQUONBIWPKFCLW-ZDUSSCGKSA-N 0 3 241.334 3.585 20 0 BHADHN CC(C)N(C)Cc1c(Cl)ccc2cccnc21 ZINC000674389773 487569494 /nfs/dbraw/zinc/56/94/94/487569494.db2.gz WWLWWEIFTBVNMJ-UHFFFAOYSA-N 0 3 248.757 3.728 20 0 BHADHN CC(C)CCN(C)Cc1cc2ccccc2[nH]1 ZINC000674505373 487589099 /nfs/dbraw/zinc/58/90/99/487589099.db2.gz DXLADJICRFZWIG-UHFFFAOYSA-N 0 3 230.355 3.646 20 0 BHADHN CC(C)CCN(CCC(C)C)Cc1ccno1 ZINC000674714482 487608395 /nfs/dbraw/zinc/60/83/95/487608395.db2.gz TXTDXBNBPJXGPZ-UHFFFAOYSA-N 0 3 238.375 3.569 20 0 BHADHN c1cc(CN[C@@H](CC2CC2)c2ccccc2)c[nH]1 ZINC000674758319 487614008 /nfs/dbraw/zinc/61/40/08/487614008.db2.gz KGSIOFXRQPIZCZ-INIZCTEOSA-N 0 3 240.350 3.646 20 0 BHADHN c1cc(CN[C@H](CC2CC2)c2ccccc2)c[nH]1 ZINC000674758320 487613702 /nfs/dbraw/zinc/61/37/02/487613702.db2.gz KGSIOFXRQPIZCZ-MRXNPFEDSA-N 0 3 240.350 3.646 20 0 BHADHN CCCCN(CC)Cc1cc(C)ccc1OC ZINC000674767079 487615945 /nfs/dbraw/zinc/61/59/45/487615945.db2.gz YKTKQCYNDIPCEV-UHFFFAOYSA-N 0 3 235.371 3.626 20 0 BHADHN CC[C@@H](C)CN(Cc1ccc(C)o1)C1CC1 ZINC000674861493 487636113 /nfs/dbraw/zinc/63/61/13/487636113.db2.gz UZSUJMFTFUJBTF-LLVKDONJSA-N 0 3 221.344 3.599 20 0 BHADHN CC[C@H](C)CN(Cc1ccc(C)o1)C1CC1 ZINC000674861494 487636249 /nfs/dbraw/zinc/63/62/49/487636249.db2.gz UZSUJMFTFUJBTF-NSHDSACASA-N 0 3 221.344 3.599 20 0 BHADHN CC[C@@H](C)CN1CC[C@@H]1c1cccc(F)c1 ZINC000674866871 487637613 /nfs/dbraw/zinc/63/76/13/487637613.db2.gz VXBCFVPIZXCXHS-BXUZGUMPSA-N 0 3 221.319 3.619 20 0 BHADHN CC[C@H](C)CN1CC[C@H]1c1cccc(F)c1 ZINC000674866872 487637723 /nfs/dbraw/zinc/63/77/23/487637723.db2.gz VXBCFVPIZXCXHS-FZMZJTMJSA-N 0 3 221.319 3.619 20 0 BHADHN CC[C@@H](C)CN1CC[C@H]1c1cccc(F)c1 ZINC000674866873 487637893 /nfs/dbraw/zinc/63/78/93/487637893.db2.gz VXBCFVPIZXCXHS-RISCZKNCSA-N 0 3 221.319 3.619 20 0 BHADHN CC[C@H](C)CN1CC[C@@H]1c1cccc(F)c1 ZINC000674866874 487637786 /nfs/dbraw/zinc/63/77/86/487637786.db2.gz VXBCFVPIZXCXHS-SMDDNHRTSA-N 0 3 221.319 3.619 20 0 BHADHN CC(C)CCN(C)Cc1ccc(Cl)s1 ZINC000674877243 487640580 /nfs/dbraw/zinc/64/05/80/487640580.db2.gz NMIQFZZAIKUOMF-UHFFFAOYSA-N 0 3 231.792 3.879 20 0 BHADHN CC(C)(C)OCCCN1C2CCCC1CCC2 ZINC000674910062 487645725 /nfs/dbraw/zinc/64/57/25/487645725.db2.gz ZBDCOCBSQQVKFW-UHFFFAOYSA-N 0 3 239.403 3.599 20 0 BHADHN CC(C)(C)OCCCN1CC[C@H]1c1ccccc1 ZINC000674910065 487730017 /nfs/dbraw/zinc/73/00/17/487730017.db2.gz ZDKCYWGMMPYYKL-HNNXBMFYSA-N 0 3 247.382 3.639 20 0 BHADHN CC(C)(C)OCCCN1CC[C@@H]1c1ccccc1 ZINC000674910066 487730352 /nfs/dbraw/zinc/73/03/52/487730352.db2.gz ZDKCYWGMMPYYKL-OAHLLOKOSA-N 0 3 247.382 3.639 20 0 BHADHN COc1ccccc1CN(C)CCC(C)(C)C ZINC000674995719 487663304 /nfs/dbraw/zinc/66/33/04/487663304.db2.gz CZKXCYRCBJUPIH-UHFFFAOYSA-N 0 3 235.371 3.563 20 0 BHADHN CCc1ccc(CN(C)CC=C(C)C)cc1 ZINC000675004067 487664272 /nfs/dbraw/zinc/66/42/72/487664272.db2.gz SXQLKARUDVBWER-UHFFFAOYSA-N 0 3 217.356 3.647 20 0 BHADHN CN(CCC(C)(C)C)Cc1ccccc1F ZINC000675057287 487665806 /nfs/dbraw/zinc/66/58/06/487665806.db2.gz YRNLYKGHEXWGAA-UHFFFAOYSA-N 0 3 223.335 3.694 20 0 BHADHN Cc1cc2cc(CNC3CC=CC3)oc2cc1C ZINC000675349020 487716442 /nfs/dbraw/zinc/71/64/42/487716442.db2.gz QJRVPTFWHAMAGB-UHFFFAOYSA-N 0 3 241.334 3.858 20 0 BHADHN Cc1occc1CN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000675692389 487766536 /nfs/dbraw/zinc/76/65/36/487766536.db2.gz SVDVQZAHGGHWKB-BDJLRTHQSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1occc1CN[C@H]1C[C@@H](C)c2ccccc21 ZINC000675692390 487766219 /nfs/dbraw/zinc/76/62/19/487766219.db2.gz SVDVQZAHGGHWKB-BZNIZROVSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1occc1CN[C@@H]1C[C@H](C)c2ccccc21 ZINC000675692391 487766325 /nfs/dbraw/zinc/76/63/25/487766325.db2.gz SVDVQZAHGGHWKB-MEDUHNTESA-N 0 3 241.334 3.926 20 0 BHADHN Cc1occc1CN[C@H]1C[C@H](C)c2ccccc21 ZINC000675692392 487766773 /nfs/dbraw/zinc/76/67/73/487766773.db2.gz SVDVQZAHGGHWKB-ZBEGNZNMSA-N 0 3 241.334 3.926 20 0 BHADHN CC[C@H](NC1CCCC1)c1cc(F)ccc1F ZINC000675724690 487770878 /nfs/dbraw/zinc/77/08/78/487770878.db2.gz LBTSZSGOHRWUFY-AWEZNQCLSA-N 0 3 239.309 3.948 20 0 BHADHN CC[C@@H](NC1CCCC1)c1cc(F)ccc1F ZINC000675724692 487770808 /nfs/dbraw/zinc/77/08/08/487770808.db2.gz LBTSZSGOHRWUFY-CQSZACIVSA-N 0 3 239.309 3.948 20 0 BHADHN C[C@H](NCCCCc1ccccc1)c1ccoc1 ZINC000675736714 487773152 /nfs/dbraw/zinc/77/31/52/487773152.db2.gz ZOABWPVMFVJSPZ-AWEZNQCLSA-N 0 3 243.350 3.953 20 0 BHADHN C[C@@H](NCCCCc1ccccc1)c1ccoc1 ZINC000675736715 487772764 /nfs/dbraw/zinc/77/27/64/487772764.db2.gz ZOABWPVMFVJSPZ-CQSZACIVSA-N 0 3 243.350 3.953 20 0 BHADHN Cc1occc1CN[C@H]1CCc2ccc(C)cc21 ZINC000675779728 487778332 /nfs/dbraw/zinc/77/83/32/487778332.db2.gz PQCCCYQCWGSFTQ-INIZCTEOSA-N 0 3 241.334 3.674 20 0 BHADHN Cc1occc1CN[C@@H]1CCc2ccc(C)cc21 ZINC000675779729 487778775 /nfs/dbraw/zinc/77/87/75/487778775.db2.gz PQCCCYQCWGSFTQ-MRXNPFEDSA-N 0 3 241.334 3.674 20 0 BHADHN CCCC[C@@H](C)[C@H](C)NCc1ccc(F)cn1 ZINC000675790420 487779669 /nfs/dbraw/zinc/77/96/69/487779669.db2.gz XKQLIKBTOQIQRZ-NEPJUHHUSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@H](C)[C@@H](C)NCc1ccc(F)cn1 ZINC000675790421 487779847 /nfs/dbraw/zinc/77/98/47/487779847.db2.gz XKQLIKBTOQIQRZ-NWDGAFQWSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@H](C)[C@H](C)NCc1ccc(F)cn1 ZINC000675790422 487779515 /nfs/dbraw/zinc/77/95/15/487779515.db2.gz XKQLIKBTOQIQRZ-RYUDHWBXSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@@H](C)[C@@H](C)NCc1ccc(F)cn1 ZINC000675790423 487779885 /nfs/dbraw/zinc/77/98/85/487779885.db2.gz XKQLIKBTOQIQRZ-VXGBXAGGSA-N 0 3 238.350 3.525 20 0 BHADHN CC(C)OCCN(C)Cc1ccc(C(C)C)cc1 ZINC000675795598 487780532 /nfs/dbraw/zinc/78/05/32/487780532.db2.gz ZZRHNENIKPIVEH-UHFFFAOYSA-N 0 3 249.398 3.667 20 0 BHADHN CC(C)=CCN(C)Cc1cccc(Cl)c1 ZINC000675838716 487784064 /nfs/dbraw/zinc/78/40/64/487784064.db2.gz MIGKWCDWGZSDRC-UHFFFAOYSA-N 0 3 223.747 3.738 20 0 BHADHN Cc1cccc2c1CC[C@H]2NCCC(F)(F)F ZINC000675929693 487793931 /nfs/dbraw/zinc/79/39/31/487793931.db2.gz BQROOOBQKMONSW-GFCCVEGCSA-N 0 3 243.272 3.524 20 0 BHADHN Cc1cccc2c1CC[C@@H]2NCCC(F)(F)F ZINC000675929694 487794128 /nfs/dbraw/zinc/79/41/28/487794128.db2.gz BQROOOBQKMONSW-LBPRGKRZSA-N 0 3 243.272 3.524 20 0 BHADHN C[C@@H](CC1CCC1)NCc1c(F)cccc1F ZINC000675936319 487795368 /nfs/dbraw/zinc/79/53/68/487795368.db2.gz FEVLKJXGWFUPQS-JTQLQIEISA-N 0 3 239.309 3.633 20 0 BHADHN C[C@H](CC1CCC1)NCc1c(F)cccc1F ZINC000675936320 487795324 /nfs/dbraw/zinc/79/53/24/487795324.db2.gz FEVLKJXGWFUPQS-SNVBAGLBSA-N 0 3 239.309 3.633 20 0 BHADHN C[C@@H](NC1CC=CC1)c1ccc2ccccc2n1 ZINC000675938729 487795656 /nfs/dbraw/zinc/79/56/56/487795656.db2.gz YBBNVSCCULYFGZ-GFCCVEGCSA-N 0 3 238.334 3.604 20 0 BHADHN C[C@H](NC1CC=CC1)c1ccc2ccccc2n1 ZINC000675938733 487795020 /nfs/dbraw/zinc/79/50/20/487795020.db2.gz YBBNVSCCULYFGZ-LBPRGKRZSA-N 0 3 238.334 3.604 20 0 BHADHN Cc1cccc([C@H](C)N(C)CCOC(C)(C)C)c1 ZINC000676042086 487804651 /nfs/dbraw/zinc/80/46/51/487804651.db2.gz FGPVOSLTQCIIIK-AWEZNQCLSA-N 0 3 249.398 3.803 20 0 BHADHN Cc1cccc([C@@H](C)N(C)CCOC(C)(C)C)c1 ZINC000676042089 487804663 /nfs/dbraw/zinc/80/46/63/487804663.db2.gz FGPVOSLTQCIIIK-CQSZACIVSA-N 0 3 249.398 3.803 20 0 BHADHN Cc1cccc(C)c1CN(C)CCOC(C)(C)C ZINC000676043059 487804563 /nfs/dbraw/zinc/80/45/63/487804563.db2.gz JURNCDDORGRGQK-UHFFFAOYSA-N 0 3 249.398 3.550 20 0 BHADHN CC(C)=CCN1CCC[C@H](Nc2ccccc2)C1 ZINC000676085336 487812974 /nfs/dbraw/zinc/81/29/74/487812974.db2.gz CFCFDBJZLTVZKV-INIZCTEOSA-N 0 3 244.382 3.529 20 0 BHADHN CC(C)=CCN1CCC[C@@H](Nc2ccccc2)C1 ZINC000676085341 487812412 /nfs/dbraw/zinc/81/24/12/487812412.db2.gz CFCFDBJZLTVZKV-MRXNPFEDSA-N 0 3 244.382 3.529 20 0 BHADHN FC(F)C1CN(Cc2cccc3ccccc32)C1 ZINC000676222177 487823240 /nfs/dbraw/zinc/82/32/40/487823240.db2.gz CCYFGRZTJZFVKQ-UHFFFAOYSA-N 0 3 247.288 3.537 20 0 BHADHN Cc1cc(F)ccc1CN(C)Cc1ccccc1 ZINC000676412458 487848979 /nfs/dbraw/zinc/84/89/79/487848979.db2.gz JZPCYWPFATYIGD-UHFFFAOYSA-N 0 3 243.325 3.766 20 0 BHADHN CCC[C@H](NC1CC2(CCC2)C1)c1ccccn1 ZINC000676488360 487855943 /nfs/dbraw/zinc/85/59/43/487855943.db2.gz BCVGZLRBIMDNRB-HNNXBMFYSA-N 0 3 244.382 3.845 20 0 BHADHN CCC[C@@H](NC1CC2(CCC2)C1)c1ccccn1 ZINC000676488362 487855393 /nfs/dbraw/zinc/85/53/93/487855393.db2.gz BCVGZLRBIMDNRB-OAHLLOKOSA-N 0 3 244.382 3.845 20 0 BHADHN Cc1ccc(CN(C)CC2CCC(C)CC2)nc1 ZINC000676625041 487880893 /nfs/dbraw/zinc/88/08/93/487880893.db2.gz SHQGGPISIIMEBJ-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1occc1CNC/C=C\c1ccc(F)cc1 ZINC000676642929 487885775 /nfs/dbraw/zinc/88/57/75/487885775.db2.gz GINHGRYGLWRXRD-IHWYPQMZSA-N 0 3 245.297 3.530 20 0 BHADHN Cc1occc1CNC/C=C/c1ccc(F)cc1 ZINC000676642937 487886137 /nfs/dbraw/zinc/88/61/37/487886137.db2.gz GINHGRYGLWRXRD-NSCUHMNNSA-N 0 3 245.297 3.530 20 0 BHADHN CCc1cc(N2CCCCC2)c2ccccc2n1 ZINC000676877189 487939892 /nfs/dbraw/zinc/93/98/92/487939892.db2.gz WJHUTRMYMYRWLP-UHFFFAOYSA-N 0 3 240.350 3.788 20 0 BHADHN Clc1cccc2c1CC[C@@H]2N1C2CCC1CC2 ZINC000676883554 487941770 /nfs/dbraw/zinc/94/17/70/487941770.db2.gz SGQKKTNNEUTWAX-NWHVRFAMSA-N 0 3 247.769 3.954 20 0 BHADHN Clc1cccc2c1CC[C@H]2N1C2CCC1CC2 ZINC000676883558 487941926 /nfs/dbraw/zinc/94/19/26/487941926.db2.gz SGQKKTNNEUTWAX-QKFMDRJYSA-N 0 3 247.769 3.954 20 0 BHADHN c1ccc(SCCN2[C@H]3C=CC[C@@H]2CC3)cc1 ZINC000676906390 487945266 /nfs/dbraw/zinc/94/52/66/487945266.db2.gz WPJXURIDAPJMQO-UONOGXRCSA-N 0 3 245.391 3.572 20 0 BHADHN c1c2ccccc2oc1CN1[C@H]2C=CC[C@@H]1CC2 ZINC000676907661 491121607 /nfs/dbraw/zinc/12/16/07/491121607.db2.gz JUWVDNJFPCKXME-UONOGXRCSA-N 0 3 239.318 3.726 20 0 BHADHN CCC[C@@H](C)N[C@@H]1CCc2c1c(F)ccc2F ZINC000677042203 487956318 /nfs/dbraw/zinc/95/63/18/487956318.db2.gz GDICZYKHCUHTRZ-NOZJJQNGSA-N 0 3 239.309 3.730 20 0 BHADHN CCC[C@@H](C)N[C@H]1CCc2c1c(F)ccc2F ZINC000677042205 487954303 /nfs/dbraw/zinc/95/43/03/487954303.db2.gz GDICZYKHCUHTRZ-RNCFNFMXSA-N 0 3 239.309 3.730 20 0 BHADHN CCC[C@H](C)N[C@@H]1CCc2c1c(F)ccc2F ZINC000677042207 487954850 /nfs/dbraw/zinc/95/48/50/487954850.db2.gz GDICZYKHCUHTRZ-TVQRCGJNSA-N 0 3 239.309 3.730 20 0 BHADHN CCC[C@H](C)N[C@H]1CCc2c1c(F)ccc2F ZINC000677042209 487956257 /nfs/dbraw/zinc/95/62/57/487956257.db2.gz GDICZYKHCUHTRZ-ZANVPECISA-N 0 3 239.309 3.730 20 0 BHADHN CC1(NCc2ccc(-c3ccccc3)o2)CCC1 ZINC000677246069 488006277 /nfs/dbraw/zinc/00/62/77/488006277.db2.gz GRHKFDDSPLYRBV-UHFFFAOYSA-N 0 3 241.334 3.979 20 0 BHADHN C[C@H](c1ccncc1)N1CC=C(C(C)(C)C)CC1 ZINC000677561182 488074073 /nfs/dbraw/zinc/07/40/73/488074073.db2.gz JFSNHNRDYXYKKK-CYBMUJFWSA-N 0 3 244.382 3.821 20 0 BHADHN C[C@@H](c1ccncc1)N1CC=C(C(C)(C)C)CC1 ZINC000677561183 488074202 /nfs/dbraw/zinc/07/42/02/488074202.db2.gz JFSNHNRDYXYKKK-ZDUSSCGKSA-N 0 3 244.382 3.821 20 0 BHADHN FC(F)(F)[C@@H]1CCN(CCCC2CCCC2)C1 ZINC000677713154 488096455 /nfs/dbraw/zinc/09/64/55/488096455.db2.gz CCKFWLPDHMAONN-GFCCVEGCSA-N 0 3 249.320 3.841 20 0 BHADHN FC(F)(F)[C@H]1CCN(CCCC2CCCC2)C1 ZINC000677713155 488096474 /nfs/dbraw/zinc/09/64/74/488096474.db2.gz CCKFWLPDHMAONN-LBPRGKRZSA-N 0 3 249.320 3.841 20 0 BHADHN C[C@H](c1ccc(F)cc1)N1CCC2(CC2)CC1 ZINC000677717403 488099834 /nfs/dbraw/zinc/09/98/34/488099834.db2.gz KUZBFCCUMZOPMO-GFCCVEGCSA-N 0 3 233.330 3.763 20 0 BHADHN C[C@@H](c1ccc(F)cc1)N1CCC2(CC2)CC1 ZINC000677717404 488098688 /nfs/dbraw/zinc/09/86/88/488098688.db2.gz KUZBFCCUMZOPMO-LBPRGKRZSA-N 0 3 233.330 3.763 20 0 BHADHN Clc1ccc(CN2CCC3(CC3)CC2)cc1 ZINC000677717578 488100447 /nfs/dbraw/zinc/10/04/47/488100447.db2.gz JUQSLLYYEWYHJN-UHFFFAOYSA-N 0 3 235.758 3.716 20 0 BHADHN C[C@H](c1ccccc1F)N1CCC2(CC2)CC1 ZINC000677717702 488099965 /nfs/dbraw/zinc/09/99/65/488099965.db2.gz ZVGKLNKJCZFBFB-GFCCVEGCSA-N 0 3 233.330 3.763 20 0 BHADHN C[C@@H](c1ccccc1F)N1CCC2(CC2)CC1 ZINC000677717703 488100472 /nfs/dbraw/zinc/10/04/72/488100472.db2.gz ZVGKLNKJCZFBFB-LBPRGKRZSA-N 0 3 233.330 3.763 20 0 BHADHN CSc1ccc(CN2CCC3(CC3)CC2)cc1 ZINC000677717897 488100059 /nfs/dbraw/zinc/10/00/59/488100059.db2.gz PCESCOICNPVYFN-UHFFFAOYSA-N 0 3 247.407 3.785 20 0 BHADHN C[C@H](c1cccc(F)c1)N1CCC2(CC2)CC1 ZINC000677718043 488099866 /nfs/dbraw/zinc/09/98/66/488099866.db2.gz WBHWCOOCEZSRGC-GFCCVEGCSA-N 0 3 233.330 3.763 20 0 BHADHN C[C@@H](c1cccc(F)c1)N1CCC2(CC2)CC1 ZINC000677718044 488100296 /nfs/dbraw/zinc/10/02/96/488100296.db2.gz WBHWCOOCEZSRGC-LBPRGKRZSA-N 0 3 233.330 3.763 20 0 BHADHN Clc1ccccc1CN1CCC2(CC2)CC1 ZINC000677718319 488100121 /nfs/dbraw/zinc/10/01/21/488100121.db2.gz YGIOHBLIUWWGSS-UHFFFAOYSA-N 0 3 235.758 3.716 20 0 BHADHN c1c2ccccc2oc1CN1CCC2(CC2)CC1 ZINC000677718929 488100007 /nfs/dbraw/zinc/10/00/07/488100007.db2.gz NTNKJICPAQEIGD-UHFFFAOYSA-N 0 3 241.334 3.809 20 0 BHADHN Clc1cccc(CN2CCC3(CC3)CC2)c1 ZINC000677719532 488101348 /nfs/dbraw/zinc/10/13/48/488101348.db2.gz XIFBRDMAMMGNLW-UHFFFAOYSA-N 0 3 235.758 3.716 20 0 BHADHN CCC(C)(C)CCN1CC2(C1)CC(F)(F)C2 ZINC000677734202 488112554 /nfs/dbraw/zinc/11/25/54/488112554.db2.gz QUTKEOQZGAVPSH-UHFFFAOYSA-N 0 3 231.330 3.544 20 0 BHADHN FC1(F)CC2(CN(CCCC3CCCC3)C2)C1 ZINC000677734445 488110271 /nfs/dbraw/zinc/11/02/71/488110271.db2.gz SJKZRHDWTHGALH-UHFFFAOYSA-N 0 3 243.341 3.688 20 0 BHADHN FC1(F)CC2(CN(CCC3CCCCC3)C2)C1 ZINC000677738864 488116541 /nfs/dbraw/zinc/11/65/41/488116541.db2.gz MZDFPESXVILTLU-UHFFFAOYSA-N 0 3 243.341 3.688 20 0 BHADHN C[C@H]1CCc2ccccc2[C@@H]1NCc1ccoc1 ZINC000677811461 488128149 /nfs/dbraw/zinc/12/81/49/488128149.db2.gz RUDRLSJPPNEKCT-BLLLJJGKSA-N 0 3 241.334 3.693 20 0 BHADHN C[C@H]1CCc2ccccc2[C@H]1NCc1ccoc1 ZINC000677811462 488128940 /nfs/dbraw/zinc/12/89/40/488128940.db2.gz RUDRLSJPPNEKCT-LRDDRELGSA-N 0 3 241.334 3.693 20 0 BHADHN C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccoc1 ZINC000677811463 488128661 /nfs/dbraw/zinc/12/86/61/488128661.db2.gz RUDRLSJPPNEKCT-MLGOLLRUSA-N 0 3 241.334 3.693 20 0 BHADHN C[C@@H]1CCc2ccccc2[C@H]1NCc1ccoc1 ZINC000677811464 488129014 /nfs/dbraw/zinc/12/90/14/488129014.db2.gz RUDRLSJPPNEKCT-WBMJQRKESA-N 0 3 241.334 3.693 20 0 BHADHN Clc1cscc1CN1CCCCCC1 ZINC000678119899 488199505 /nfs/dbraw/zinc/19/95/05/488199505.db2.gz DEHAECKLBHGQMG-UHFFFAOYSA-N 0 3 229.776 3.778 20 0 BHADHN Cc1ccc(CN(C)Cc2ccsc2)c(C)c1 ZINC000678126261 488202084 /nfs/dbraw/zinc/20/20/84/488202084.db2.gz MFFNQAZCHKMDTC-UHFFFAOYSA-N 0 3 245.391 3.997 20 0 BHADHN CC(C)[C@@H](C)N(C)Cc1cscc1Cl ZINC000678137042 488204037 /nfs/dbraw/zinc/20/40/37/488204037.db2.gz JDESBNZRMFHZGP-SECBINFHSA-N 0 3 231.792 3.878 20 0 BHADHN CC(C)[C@H](C)N(C)Cc1cscc1Cl ZINC000678137044 488204071 /nfs/dbraw/zinc/20/40/71/488204071.db2.gz JDESBNZRMFHZGP-VIFPVBQESA-N 0 3 231.792 3.878 20 0 BHADHN CCN(Cc1cscc1Cl)CC(C)C ZINC000678141002 488206799 /nfs/dbraw/zinc/20/67/99/488206799.db2.gz ZARWHFFZQIPLDF-UHFFFAOYSA-N 0 3 231.792 3.879 20 0 BHADHN CCN(Cc1ccoc1)Cc1ccc(C)cc1C ZINC000678148412 488207132 /nfs/dbraw/zinc/20/71/32/488207132.db2.gz ZMMGNLKHDWTPQU-UHFFFAOYSA-N 0 3 243.350 3.919 20 0 BHADHN CCN(Cc1ccoc1)[C@H]1CCc2ccccc21 ZINC000678150289 488207359 /nfs/dbraw/zinc/20/73/59/488207359.db2.gz FOUUXXCOSNWTGL-INIZCTEOSA-N 0 3 241.334 3.789 20 0 BHADHN CCN(Cc1ccoc1)[C@@H]1CCc2ccccc21 ZINC000678150291 488207263 /nfs/dbraw/zinc/20/72/63/488207263.db2.gz FOUUXXCOSNWTGL-MRXNPFEDSA-N 0 3 241.334 3.789 20 0 BHADHN CC[C@H]1CCCN1Cc1cscc1Cl ZINC000678210156 488217022 /nfs/dbraw/zinc/21/70/22/488217022.db2.gz HAOWMSHXJCGHBJ-JTQLQIEISA-N 0 3 229.776 3.776 20 0 BHADHN CC[C@@H]1CCCN1Cc1cscc1Cl ZINC000678210157 488216523 /nfs/dbraw/zinc/21/65/23/488216523.db2.gz HAOWMSHXJCGHBJ-SNVBAGLBSA-N 0 3 229.776 3.776 20 0 BHADHN CC1(C)CCCN1Cc1cscc1Cl ZINC000678225604 488220380 /nfs/dbraw/zinc/22/03/80/488220380.db2.gz NEEIHXQFPQWYKU-UHFFFAOYSA-N 0 3 229.776 3.776 20 0 BHADHN CCN(Cc1ccoc1)Cc1cccc(C)c1C ZINC000678233582 488221782 /nfs/dbraw/zinc/22/17/82/488221782.db2.gz JILVHZJJJUSMHZ-UHFFFAOYSA-N 0 3 243.350 3.919 20 0 BHADHN CCN(Cc1ccoc1)Cc1ccc(C)c(C)c1 ZINC000678234106 488221992 /nfs/dbraw/zinc/22/19/92/488221992.db2.gz UQFMTNYHPUAYTH-UHFFFAOYSA-N 0 3 243.350 3.919 20 0 BHADHN Clc1cscc1CN1CCC[C@@H]1C1CC1 ZINC000678239418 488224155 /nfs/dbraw/zinc/22/41/55/488224155.db2.gz BUPWFULKUHVZSR-GFCCVEGCSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1cscc1CN1CCC[C@H]1C1CC1 ZINC000678239419 488224365 /nfs/dbraw/zinc/22/43/65/488224365.db2.gz BUPWFULKUHVZSR-LBPRGKRZSA-N 0 3 241.787 3.776 20 0 BHADHN c1cc(CN2CCCc3sccc3C2)cs1 ZINC000678259208 488227338 /nfs/dbraw/zinc/22/73/38/488227338.db2.gz FUXCEKBTEIKWEY-UHFFFAOYSA-N 0 3 249.404 3.758 20 0 BHADHN c1csc(CN2CCCc3sccc3C2)c1 ZINC000678259400 488225640 /nfs/dbraw/zinc/22/56/40/488225640.db2.gz OIWUROQKHDXLML-UHFFFAOYSA-N 0 3 249.404 3.758 20 0 BHADHN Cc1ccoc1CN1CCCc2sccc2C1 ZINC000678259748 488227420 /nfs/dbraw/zinc/22/74/20/488227420.db2.gz YKOYFANYHRTZHD-UHFFFAOYSA-N 0 3 247.363 3.598 20 0 BHADHN Clc1cscc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000678267453 488231421 /nfs/dbraw/zinc/23/14/21/488231421.db2.gz ODLZAVGNZJAOAA-AOOOYVTPSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1cscc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000678267454 488231439 /nfs/dbraw/zinc/23/14/39/488231439.db2.gz ODLZAVGNZJAOAA-NXEZZACHSA-N 0 3 241.787 3.633 20 0 BHADHN Clc1cscc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000678267456 488231460 /nfs/dbraw/zinc/23/14/60/488231460.db2.gz ODLZAVGNZJAOAA-UWVGGRQHSA-N 0 3 241.787 3.633 20 0 BHADHN CC[C@H]1c2ccccc2CCN1Cc1ccco1 ZINC000678267595 488231217 /nfs/dbraw/zinc/23/12/17/488231217.db2.gz RBIJQTQJAIFWOF-INIZCTEOSA-N 0 3 241.334 3.789 20 0 BHADHN CC[C@@H]1c2ccccc2CCN1Cc1ccco1 ZINC000678267597 488231224 /nfs/dbraw/zinc/23/12/24/488231224.db2.gz RBIJQTQJAIFWOF-MRXNPFEDSA-N 0 3 241.334 3.789 20 0 BHADHN C[C@@H]1CSCCN1Cc1ccccc1C1CC1 ZINC000678268283 488231530 /nfs/dbraw/zinc/23/15/30/488231530.db2.gz UCOCEBVTEFVHED-GFCCVEGCSA-N 0 3 247.407 3.501 20 0 BHADHN C[C@H]1CSCCN1Cc1ccccc1C1CC1 ZINC000678268284 488230808 /nfs/dbraw/zinc/23/08/08/488230808.db2.gz UCOCEBVTEFVHED-LBPRGKRZSA-N 0 3 247.407 3.501 20 0 BHADHN C[C@@H]1C[C@H](C)N(Cc2cscc2Cl)C1 ZINC000678277615 488235829 /nfs/dbraw/zinc/23/58/29/488235829.db2.gz YHMMVXXYYFUIMW-BDAKNGLRSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1C[C@H](C)CN1Cc1cscc1Cl ZINC000678277616 488235158 /nfs/dbraw/zinc/23/51/58/488235158.db2.gz YHMMVXXYYFUIMW-DTWKUNHWSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H]1C[C@H](C)N(Cc2cscc2Cl)C1 ZINC000678277618 488235690 /nfs/dbraw/zinc/23/56/90/488235690.db2.gz YHMMVXXYYFUIMW-IUCAKERBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1C[C@@H](C)N(Cc2cscc2Cl)C1 ZINC000678277619 488235182 /nfs/dbraw/zinc/23/51/82/488235182.db2.gz YHMMVXXYYFUIMW-RKDXNWHRSA-N 0 3 229.776 3.632 20 0 BHADHN COc1ccccc1CN1C2CCCC1CCC2 ZINC000678278547 488235639 /nfs/dbraw/zinc/23/56/39/488235639.db2.gz AGSVGBRYOZLQTR-UHFFFAOYSA-N 0 3 245.366 3.602 20 0 BHADHN CCc1ccc(CN2C3CCCC2CCC3)o1 ZINC000678278566 488235255 /nfs/dbraw/zinc/23/52/55/488235255.db2.gz AWNUABAOAKNGNB-UHFFFAOYSA-N 0 3 233.355 3.749 20 0 BHADHN c1coc(CN2CCC(C3CCCC3)CC2)c1 ZINC000678282906 488236730 /nfs/dbraw/zinc/23/67/30/488236730.db2.gz OZKWNFQRNWKADO-UHFFFAOYSA-N 0 3 233.355 3.682 20 0 BHADHN Fc1cccc([C@@H]2CCN2C2CCCC2)c1 ZINC000678283441 488236677 /nfs/dbraw/zinc/23/66/77/488236677.db2.gz MCAIWYQSAJQWHF-AWEZNQCLSA-N 0 3 219.303 3.515 20 0 BHADHN Fc1cccc([C@H]2CCN2C2CCCC2)c1 ZINC000678283444 488236735 /nfs/dbraw/zinc/23/67/35/488236735.db2.gz MCAIWYQSAJQWHF-CQSZACIVSA-N 0 3 219.303 3.515 20 0 BHADHN Fc1cccc([C@@H]2CCN2C[C@H]2CC=CCC2)c1 ZINC000678284124 488237306 /nfs/dbraw/zinc/23/73/06/488237306.db2.gz VUPSEVFMERVTKR-BBRMVZONSA-N 0 3 245.341 3.929 20 0 BHADHN Fc1cccc([C@@H]2CCN2C[C@@H]2CC=CCC2)c1 ZINC000678284125 488237263 /nfs/dbraw/zinc/23/72/63/488237263.db2.gz VUPSEVFMERVTKR-CJNGLKHVSA-N 0 3 245.341 3.929 20 0 BHADHN Fc1cccc([C@H]2CCN2C[C@@H]2CC=CCC2)c1 ZINC000678284127 488236719 /nfs/dbraw/zinc/23/67/19/488236719.db2.gz VUPSEVFMERVTKR-CZUORRHYSA-N 0 3 245.341 3.929 20 0 BHADHN Fc1cccc([C@H]2CCN2C[C@H]2CC=CCC2)c1 ZINC000678284128 488067556 /nfs/dbraw/zinc/06/75/56/488067556.db2.gz VUPSEVFMERVTKR-XJKSGUPXSA-N 0 3 245.341 3.929 20 0 BHADHN Clc1cscc1CN1CC[C@H](C2CC2)C1 ZINC000678284467 488236799 /nfs/dbraw/zinc/23/67/99/488236799.db2.gz FWJPKFPLPDCHKQ-JTQLQIEISA-N 0 3 241.787 3.633 20 0 BHADHN Clc1cscc1CN1CC[C@@H](C2CC2)C1 ZINC000678284468 488237068 /nfs/dbraw/zinc/23/70/68/488237068.db2.gz FWJPKFPLPDCHKQ-SNVBAGLBSA-N 0 3 241.787 3.633 20 0 BHADHN C[C@@H]1CCN(Cc2cscc2Cl)[C@H]1C ZINC000678333900 488242249 /nfs/dbraw/zinc/24/22/49/488242249.db2.gz NSUZBOQESCRSFL-BDAKNGLRSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1[C@@H](C)CCN1Cc1cscc1Cl ZINC000678333903 488241997 /nfs/dbraw/zinc/24/19/97/488241997.db2.gz NSUZBOQESCRSFL-DTWKUNHWSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@H]1CCN(Cc2cscc2Cl)[C@H]1C ZINC000678333905 488241838 /nfs/dbraw/zinc/24/18/38/488241838.db2.gz NSUZBOQESCRSFL-IUCAKERBSA-N 0 3 229.776 3.632 20 0 BHADHN C[C@@H]1CCN(Cc2cscc2Cl)[C@@H]1C ZINC000678333907 488242195 /nfs/dbraw/zinc/24/21/95/488242195.db2.gz NSUZBOQESCRSFL-RKDXNWHRSA-N 0 3 229.776 3.632 20 0 BHADHN CC(C)[C@H]1CCN(Cc2cscc2Cl)C1 ZINC000678335703 488241590 /nfs/dbraw/zinc/24/15/90/488241590.db2.gz GPOJWQSGDPLVJK-JTQLQIEISA-N 0 3 243.803 3.879 20 0 BHADHN CC(C)[C@@H]1CCN(Cc2cscc2Cl)C1 ZINC000678335704 488241739 /nfs/dbraw/zinc/24/17/39/488241739.db2.gz GPOJWQSGDPLVJK-SNVBAGLBSA-N 0 3 243.803 3.879 20 0 BHADHN C[C@@H]1CC[C@H](C)N1Cc1cscc1Cl ZINC000678337929 488242157 /nfs/dbraw/zinc/24/21/57/488242157.db2.gz VACJPZCXCYWFBA-DTORHVGOSA-N 0 3 229.776 3.774 20 0 BHADHN C[C@H]1CC[C@H](C)N1Cc1cscc1Cl ZINC000678337930 488242127 /nfs/dbraw/zinc/24/21/27/488242127.db2.gz VACJPZCXCYWFBA-IUCAKERBSA-N 0 3 229.776 3.774 20 0 BHADHN C[C@@H]1CC[C@@H](C)N1Cc1cscc1Cl ZINC000678337931 488242255 /nfs/dbraw/zinc/24/22/55/488242255.db2.gz VACJPZCXCYWFBA-RKDXNWHRSA-N 0 3 229.776 3.774 20 0 BHADHN CC[C@@H]1CCN(Cc2cscc2Cl)C1 ZINC000678340007 488242789 /nfs/dbraw/zinc/24/27/89/488242789.db2.gz WIEXBKBGYQDONG-SECBINFHSA-N 0 3 229.776 3.633 20 0 BHADHN CC[C@H]1CCN(Cc2cscc2Cl)C1 ZINC000678340008 488242734 /nfs/dbraw/zinc/24/27/34/488242734.db2.gz WIEXBKBGYQDONG-VIFPVBQESA-N 0 3 229.776 3.633 20 0 BHADHN CN(Cc1ccsc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000678340224 488082961 /nfs/dbraw/zinc/08/29/61/488082961.db2.gz RZIOIGIVONGMGE-CABCVRRESA-N 0 3 243.375 3.736 20 0 BHADHN CN(Cc1ccsc1)[C@H]1C[C@H]1c1ccccc1 ZINC000678340228 488083041 /nfs/dbraw/zinc/08/30/41/488083041.db2.gz RZIOIGIVONGMGE-GJZGRUSLSA-N 0 3 243.375 3.736 20 0 BHADHN CN(Cc1ccsc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000678340230 488082703 /nfs/dbraw/zinc/08/27/03/488082703.db2.gz RZIOIGIVONGMGE-LSDHHAIUSA-N 0 3 243.375 3.736 20 0 BHADHN c1oc2ccccc2c1CN1[C@H]2C=CC[C@@H]1CC2 ZINC000678342275 488243226 /nfs/dbraw/zinc/24/32/26/488243226.db2.gz YJUGFWMXMSJVBR-UONOGXRCSA-N 0 3 239.318 3.726 20 0 BHADHN CCCC[C@H](CC)CCNCc1ccccn1 ZINC000678359070 488246690 /nfs/dbraw/zinc/24/66/90/488246690.db2.gz VZQBQHCVUKRGTA-AWEZNQCLSA-N 0 3 234.387 3.778 20 0 BHADHN CCCC[C@@H](CC)CCNCc1ccccn1 ZINC000678359071 488246649 /nfs/dbraw/zinc/24/66/49/488246649.db2.gz VZQBQHCVUKRGTA-CQSZACIVSA-N 0 3 234.387 3.778 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccccc2)c(C)n1 ZINC000678412139 488252885 /nfs/dbraw/zinc/25/28/85/488252885.db2.gz RFTUOUWJBLNXGV-CYBMUJFWSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccccc2)c(C)n1 ZINC000678412140 488252700 /nfs/dbraw/zinc/25/27/00/488252700.db2.gz RFTUOUWJBLNXGV-ZDUSSCGKSA-N 0 3 240.350 3.549 20 0 BHADHN Cc1ccc([C@@H](C)NCc2ccsc2)c(C)n1 ZINC000678412396 488252788 /nfs/dbraw/zinc/25/27/88/488252788.db2.gz VVYAINMJTGLNLU-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc([C@H](C)NCc2ccsc2)c(C)n1 ZINC000678412397 488252978 /nfs/dbraw/zinc/25/29/78/488252978.db2.gz VVYAINMJTGLNLU-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc([C@@H](C)NCc2cccs2)c(C)n1 ZINC000678412692 488252835 /nfs/dbraw/zinc/25/28/35/488252835.db2.gz ZNMDQZQIVMPJOV-LLVKDONJSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccc([C@H](C)NCc2cccs2)c(C)n1 ZINC000678412693 488252690 /nfs/dbraw/zinc/25/26/90/488252690.db2.gz ZNMDQZQIVMPJOV-NSHDSACASA-N 0 3 246.379 3.611 20 0 BHADHN Cc1ccncc1[C@H](C)N[C@H](C)c1ccsc1 ZINC000678425932 488254558 /nfs/dbraw/zinc/25/45/58/488254558.db2.gz FMDANGCAGKALFO-NEPJUHHUSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccsc1 ZINC000678425933 488254705 /nfs/dbraw/zinc/25/47/05/488254705.db2.gz FMDANGCAGKALFO-NWDGAFQWSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccsc1 ZINC000678425934 488254838 /nfs/dbraw/zinc/25/48/38/488254838.db2.gz FMDANGCAGKALFO-RYUDHWBXSA-N 0 3 246.379 3.863 20 0 BHADHN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccsc1 ZINC000678425935 488254801 /nfs/dbraw/zinc/25/48/01/488254801.db2.gz FMDANGCAGKALFO-VXGBXAGGSA-N 0 3 246.379 3.863 20 0 BHADHN CCC(C)(C)CCN(Cc1ccncc1)C1CC1 ZINC000678527219 488264180 /nfs/dbraw/zinc/26/41/80/488264180.db2.gz GCLKGQMKBSYIHP-UHFFFAOYSA-N 0 3 246.398 3.872 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccoc1)CC2 ZINC000678584432 488268479 /nfs/dbraw/zinc/26/84/79/488268479.db2.gz OTQCGFSNHVMFHN-BLLLJJGKSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccoc1)CC2 ZINC000678584433 488268699 /nfs/dbraw/zinc/26/86/99/488268699.db2.gz OTQCGFSNHVMFHN-LRDDRELGSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccoc1)CC2 ZINC000678584434 488268731 /nfs/dbraw/zinc/26/87/31/488268731.db2.gz OTQCGFSNHVMFHN-MLGOLLRUSA-N 0 3 241.334 3.926 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccoc1)CC2 ZINC000678584435 488268554 /nfs/dbraw/zinc/26/85/54/488268554.db2.gz OTQCGFSNHVMFHN-WBMJQRKESA-N 0 3 241.334 3.926 20 0 BHADHN CCOc1ccc([C@H](C)N[C@@H]2C=CCCC2)cc1 ZINC000678599091 488270069 /nfs/dbraw/zinc/27/00/69/488270069.db2.gz WJWIHTSQDDDWJV-DZGCQCFKSA-N 0 3 245.366 3.845 20 0 BHADHN CCOc1ccc([C@@H](C)N[C@H]2C=CCCC2)cc1 ZINC000678599092 488269909 /nfs/dbraw/zinc/26/99/09/488269909.db2.gz WJWIHTSQDDDWJV-HIFRSBDPSA-N 0 3 245.366 3.845 20 0 BHADHN CCOc1ccc([C@@H](C)N[C@@H]2C=CCCC2)cc1 ZINC000678599093 488269957 /nfs/dbraw/zinc/26/99/57/488269957.db2.gz WJWIHTSQDDDWJV-UKRRQHHQSA-N 0 3 245.366 3.845 20 0 BHADHN CCOc1ccc([C@H](C)N[C@H]2C=CCCC2)cc1 ZINC000678599094 488269946 /nfs/dbraw/zinc/26/99/46/488269946.db2.gz WJWIHTSQDDDWJV-ZFWWWQNUSA-N 0 3 245.366 3.845 20 0 BHADHN C/C=C/CN[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000678795527 488284357 /nfs/dbraw/zinc/28/43/57/488284357.db2.gz BWJXYJUUVDGEQK-ISZGNANSSA-N 0 3 239.309 3.828 20 0 BHADHN C/C=C/CN[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000678795528 488284620 /nfs/dbraw/zinc/28/46/20/488284620.db2.gz BWJXYJUUVDGEQK-NNTXTVRGSA-N 0 3 239.309 3.828 20 0 BHADHN C/C=C\CN[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000678795529 488284562 /nfs/dbraw/zinc/28/45/62/488284562.db2.gz BWJXYJUUVDGEQK-WSNITJDQSA-N 0 3 239.309 3.828 20 0 BHADHN C/C=C\CN[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000678795530 488284602 /nfs/dbraw/zinc/28/46/02/488284602.db2.gz BWJXYJUUVDGEQK-ZRUQZJFASA-N 0 3 239.309 3.828 20 0 BHADHN C/C=C/CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000678795889 488284512 /nfs/dbraw/zinc/28/45/12/488284512.db2.gz IZQLSYBWIBMECX-ISZGNANSSA-N 0 3 239.309 3.828 20 0 BHADHN C/C=C/CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000678795890 488284555 /nfs/dbraw/zinc/28/45/55/488284555.db2.gz IZQLSYBWIBMECX-NNTXTVRGSA-N 0 3 239.309 3.828 20 0 BHADHN C/C=C\CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000678795891 488284389 /nfs/dbraw/zinc/28/43/89/488284389.db2.gz IZQLSYBWIBMECX-WSNITJDQSA-N 0 3 239.309 3.828 20 0 BHADHN C/C=C\CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000678795892 488284654 /nfs/dbraw/zinc/28/46/54/488284654.db2.gz IZQLSYBWIBMECX-ZRUQZJFASA-N 0 3 239.309 3.828 20 0 BHADHN CN(Cc1ccco1)CC(C)(C)c1ccccc1 ZINC000678813189 488285914 /nfs/dbraw/zinc/28/59/14/488285914.db2.gz VZKYJRHCCRDDDK-UHFFFAOYSA-N 0 3 243.350 3.689 20 0 BHADHN CN(Cc1ccoc1)CC(C)(C)c1ccccc1 ZINC000678817873 487651510 /nfs/dbraw/zinc/65/15/10/487651510.db2.gz ABYNWXDCJFVJEJ-UHFFFAOYSA-N 0 3 243.350 3.689 20 0 BHADHN CC(C)C(NCc1nc2ccccc2o1)C(C)C ZINC000678900842 487680572 /nfs/dbraw/zinc/68/05/72/487680572.db2.gz BDHXIVPCZNZHSB-UHFFFAOYSA-N 0 3 246.354 3.598 20 0 BHADHN C/C=C\CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000678904041 488294853 /nfs/dbraw/zinc/29/48/53/488294853.db2.gz ZRXCDGMTXSWBAT-ABCZVMIZSA-N 0 3 233.330 3.751 20 0 BHADHN C/C=C/CN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000678904043 488294990 /nfs/dbraw/zinc/29/49/90/488294990.db2.gz ZRXCDGMTXSWBAT-BWPKMQGJSA-N 0 3 233.330 3.751 20 0 BHADHN C/C=C\CN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000678904044 488295057 /nfs/dbraw/zinc/29/50/57/488295057.db2.gz ZRXCDGMTXSWBAT-JZIMQPMSSA-N 0 3 233.330 3.751 20 0 BHADHN C/C=C/CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000678904046 488295012 /nfs/dbraw/zinc/29/50/12/488295012.db2.gz ZRXCDGMTXSWBAT-NHZBNJEXSA-N 0 3 233.330 3.751 20 0 BHADHN C[C@@H](NC(C)(C)c1cccs1)c1ccncc1 ZINC000679042834 488304198 /nfs/dbraw/zinc/30/41/98/488304198.db2.gz FHAOWRYJKQGSSI-LLVKDONJSA-N 0 3 246.379 3.729 20 0 BHADHN C[C@H](NC(C)(C)c1cccs1)c1ccncc1 ZINC000679042838 488304460 /nfs/dbraw/zinc/30/44/60/488304460.db2.gz FHAOWRYJKQGSSI-NSHDSACASA-N 0 3 246.379 3.729 20 0 BHADHN C[C@H](CC1CCC1)NC1(c2ccccc2F)CC1 ZINC000679047723 488304922 /nfs/dbraw/zinc/30/49/22/488304922.db2.gz AEQIXFJKHHCIOZ-GFCCVEGCSA-N 0 3 247.357 3.983 20 0 BHADHN C[C@@H](CC1CCC1)NC1(c2ccccc2F)CC1 ZINC000679047725 488304992 /nfs/dbraw/zinc/30/49/92/488304992.db2.gz AEQIXFJKHHCIOZ-LBPRGKRZSA-N 0 3 247.357 3.983 20 0 BHADHN Cc1ccc([C@H](C)NCCOC2CCC2)c(C)c1 ZINC000679065605 488305654 /nfs/dbraw/zinc/30/56/54/488305654.db2.gz LSIGJAAGUFEIIS-AWEZNQCLSA-N 0 3 247.382 3.523 20 0 BHADHN Cc1ccc([C@@H](C)NCCOC2CCC2)c(C)c1 ZINC000679065607 488305408 /nfs/dbraw/zinc/30/54/08/488305408.db2.gz LSIGJAAGUFEIIS-CQSZACIVSA-N 0 3 247.382 3.523 20 0 BHADHN Cc1ccc([C@H](C)NCCOC2CCC2)cc1C ZINC000679068311 488305583 /nfs/dbraw/zinc/30/55/83/488305583.db2.gz ZAMRGSZRCCHZQZ-AWEZNQCLSA-N 0 3 247.382 3.523 20 0 BHADHN Cc1ccc([C@@H](C)NCCOC2CCC2)cc1C ZINC000679068312 488305288 /nfs/dbraw/zinc/30/52/88/488305288.db2.gz ZAMRGSZRCCHZQZ-CQSZACIVSA-N 0 3 247.382 3.523 20 0 BHADHN CCc1ccc([C@@H](C)N[C@@H]2CCC(F)(F)C2)o1 ZINC000679070926 488306027 /nfs/dbraw/zinc/30/60/27/488306027.db2.gz BAGVJHNRAGRHBG-NXEZZACHSA-N 0 3 243.297 3.680 20 0 BHADHN CCc1ccc([C@H](C)N[C@H]2CCC(F)(F)C2)o1 ZINC000679070927 488306158 /nfs/dbraw/zinc/30/61/58/488306158.db2.gz BAGVJHNRAGRHBG-UWVGGRQHSA-N 0 3 243.297 3.680 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H]2CCC(F)(F)C2)o1 ZINC000679070928 488305850 /nfs/dbraw/zinc/30/58/50/488305850.db2.gz BAGVJHNRAGRHBG-VHSXEESVSA-N 0 3 243.297 3.680 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H]2CCC(F)(F)C2)o1 ZINC000679070929 488305976 /nfs/dbraw/zinc/30/59/76/488305976.db2.gz BAGVJHNRAGRHBG-ZJUUUORDSA-N 0 3 243.297 3.680 20 0 BHADHN C[C@@H](N[C@H](C)C1CCC1)c1nc2ccccc2o1 ZINC000679182476 488314753 /nfs/dbraw/zinc/31/47/53/488314753.db2.gz HJYGVAMPMBZLRX-GHMZBOCLSA-N 0 3 244.338 3.667 20 0 BHADHN C[C@@H](N[C@@H](C)c1nc2ccccc2o1)C1CCC1 ZINC000679182477 488314973 /nfs/dbraw/zinc/31/49/73/488314973.db2.gz HJYGVAMPMBZLRX-MNOVXSKESA-N 0 3 244.338 3.667 20 0 BHADHN C[C@H](N[C@@H](C)C1CCC1)c1nc2ccccc2o1 ZINC000679182479 488314896 /nfs/dbraw/zinc/31/48/96/488314896.db2.gz HJYGVAMPMBZLRX-QWRGUYRKSA-N 0 3 244.338 3.667 20 0 BHADHN C[C@@H](N[C@@H](C)C1CCC1)c1nc2ccccc2o1 ZINC000679182480 488314703 /nfs/dbraw/zinc/31/47/03/488314703.db2.gz HJYGVAMPMBZLRX-WDEREUQCSA-N 0 3 244.338 3.667 20 0 BHADHN Cc1cccc([C@H](C)N2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000679218908 488317898 /nfs/dbraw/zinc/31/78/98/488317898.db2.gz DXZUFBJOEOBIHT-IPYPFGDCSA-N 0 3 235.346 3.736 20 0 BHADHN Cc1cccc([C@H](C)N2CC[C@H](C)[C@H](F)C2)c1 ZINC000679218911 488318731 /nfs/dbraw/zinc/31/87/31/488318731.db2.gz DXZUFBJOEOBIHT-KCQAQPDRSA-N 0 3 235.346 3.736 20 0 BHADHN Cc1cccc([C@H](C)N2CC[C@@H](C)[C@H](F)C2)c1 ZINC000679218912 488318518 /nfs/dbraw/zinc/31/85/18/488318518.db2.gz DXZUFBJOEOBIHT-VNHYZAJKSA-N 0 3 235.346 3.736 20 0 BHADHN Cc1cccc([C@H](C)N2CC[C@H](C)[C@@H](F)C2)c1 ZINC000679218915 488318864 /nfs/dbraw/zinc/31/88/64/488318864.db2.gz DXZUFBJOEOBIHT-YDHLFZDLSA-N 0 3 235.346 3.736 20 0 BHADHN C[C@@H]1CCN([C@@H]2CCCc3ccccc32)C[C@H]1F ZINC000679221567 488319895 /nfs/dbraw/zinc/31/98/95/488319895.db2.gz LFLXOBJWTYUNHJ-DAXOMENPSA-N 0 3 247.357 3.744 20 0 BHADHN C[C@@H]1CCN([C@H]2CCCc3ccccc32)C[C@@H]1F ZINC000679221570 488320094 /nfs/dbraw/zinc/32/00/94/488320094.db2.gz LFLXOBJWTYUNHJ-KCXAZCMYSA-N 0 3 247.357 3.744 20 0 BHADHN C[C@@H]1CCN([C@@H]2CCCc3ccccc32)C[C@@H]1F ZINC000679221574 488319816 /nfs/dbraw/zinc/31/98/16/488319816.db2.gz LFLXOBJWTYUNHJ-UHOFOFEASA-N 0 3 247.357 3.744 20 0 BHADHN C[C@@H]1CCN([C@H]2CCCc3ccccc32)C[C@H]1F ZINC000679221578 488319767 /nfs/dbraw/zinc/31/97/67/488319767.db2.gz LFLXOBJWTYUNHJ-WQVCFCJDSA-N 0 3 247.357 3.744 20 0 BHADHN C[C@H](CCc1ccccc1)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679224251 488320911 /nfs/dbraw/zinc/32/09/11/488320911.db2.gz MTAOMJULFLPBRD-FMKPAKJESA-N 0 3 249.373 3.688 20 0 BHADHN C[C@H](CCc1ccccc1)N1CC[C@@H](C)[C@H](F)C1 ZINC000679224259 488321182 /nfs/dbraw/zinc/32/11/82/488321182.db2.gz MTAOMJULFLPBRD-IIAWOOMASA-N 0 3 249.373 3.688 20 0 BHADHN C[C@@H](CCc1ccccc1)N1CC[C@@H](C)[C@H](F)C1 ZINC000679224260 488321351 /nfs/dbraw/zinc/32/13/51/488321351.db2.gz MTAOMJULFLPBRD-IJEWVQPXSA-N 0 3 249.373 3.688 20 0 BHADHN C[C@@H](CCc1ccccc1)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679224261 488320906 /nfs/dbraw/zinc/32/09/06/488320906.db2.gz MTAOMJULFLPBRD-YCPHGPKFSA-N 0 3 249.373 3.688 20 0 BHADHN CC[C@H](c1ccccc1)N1CC[C@H](C)[C@@H](F)C1 ZINC000679225173 488321900 /nfs/dbraw/zinc/32/19/00/488321900.db2.gz PZOJIWWNFQOKLV-AEGPPILISA-N 0 3 235.346 3.818 20 0 BHADHN CC[C@H](c1ccccc1)N1CC[C@@H](C)[C@H](F)C1 ZINC000679225174 488322052 /nfs/dbraw/zinc/32/20/52/488322052.db2.gz PZOJIWWNFQOKLV-BPLDGKMQSA-N 0 3 235.346 3.818 20 0 BHADHN CC[C@H](c1ccccc1)N1CC[C@H](C)[C@H](F)C1 ZINC000679225175 488321644 /nfs/dbraw/zinc/32/16/44/488321644.db2.gz PZOJIWWNFQOKLV-NWANDNLSSA-N 0 3 235.346 3.818 20 0 BHADHN CC[C@H](c1ccccc1)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679225176 488322001 /nfs/dbraw/zinc/32/20/01/488322001.db2.gz PZOJIWWNFQOKLV-VHDGCEQUSA-N 0 3 235.346 3.818 20 0 BHADHN Cc1ccccc1[C@H](C)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679225955 488321828 /nfs/dbraw/zinc/32/18/28/488321828.db2.gz YTRCXBDUQSXXLL-IPYPFGDCSA-N 0 3 235.346 3.736 20 0 BHADHN Cc1ccccc1[C@H](C)N1CC[C@H](C)[C@H](F)C1 ZINC000679225958 488321937 /nfs/dbraw/zinc/32/19/37/488321937.db2.gz YTRCXBDUQSXXLL-KCQAQPDRSA-N 0 3 235.346 3.736 20 0 BHADHN Cc1ccccc1[C@H](C)N1CC[C@@H](C)[C@H](F)C1 ZINC000679225961 488321705 /nfs/dbraw/zinc/32/17/05/488321705.db2.gz YTRCXBDUQSXXLL-VNHYZAJKSA-N 0 3 235.346 3.736 20 0 BHADHN Cc1ccccc1[C@H](C)N1CC[C@H](C)[C@@H](F)C1 ZINC000679225962 488321592 /nfs/dbraw/zinc/32/15/92/488321592.db2.gz YTRCXBDUQSXXLL-YDHLFZDLSA-N 0 3 235.346 3.736 20 0 BHADHN Cc1ccccc1CCCN1CC[C@@H](C)[C@H](F)C1 ZINC000679228463 487790061 /nfs/dbraw/zinc/79/00/61/487790061.db2.gz XPWNASNWUXXKIF-GDBMZVCRSA-N 0 3 249.373 3.608 20 0 BHADHN Cc1ccccc1CCCN1CC[C@H](C)[C@H](F)C1 ZINC000679228466 487790117 /nfs/dbraw/zinc/79/01/17/487790117.db2.gz XPWNASNWUXXKIF-GOEBONIOSA-N 0 3 249.373 3.608 20 0 BHADHN Cc1ccccc1CCCN1CC[C@H](C)[C@@H](F)C1 ZINC000679228468 487790136 /nfs/dbraw/zinc/79/01/36/487790136.db2.gz XPWNASNWUXXKIF-HOCLYGCPSA-N 0 3 249.373 3.608 20 0 BHADHN Cc1ccccc1CCCN1CC[C@@H](C)[C@@H](F)C1 ZINC000679228471 487790084 /nfs/dbraw/zinc/79/00/84/487790084.db2.gz XPWNASNWUXXKIF-ZBFHGGJFSA-N 0 3 249.373 3.608 20 0 BHADHN CCc1cc(N2CC=CCC2)c2ccccc2n1 ZINC000679279983 488328621 /nfs/dbraw/zinc/32/86/21/488328621.db2.gz OLHJKKMVXZMCNU-UHFFFAOYSA-N 0 3 238.334 3.564 20 0 BHADHN CC[C@@H](c1ccc(F)cc1)N1CC=CCC1 ZINC000679321884 488335887 /nfs/dbraw/zinc/33/58/87/488335887.db2.gz NBJLJJFNVREGIC-AWEZNQCLSA-N 0 3 219.303 3.539 20 0 BHADHN CC[C@H](c1ccc(F)cc1)N1CC=CCC1 ZINC000679321885 488335722 /nfs/dbraw/zinc/33/57/22/488335722.db2.gz NBJLJJFNVREGIC-CQSZACIVSA-N 0 3 219.303 3.539 20 0 BHADHN c1sc2ccccc2c1CN1CC=CCC1 ZINC000679322344 487901319 /nfs/dbraw/zinc/90/13/19/487901319.db2.gz FYDPSHXCXIMWTH-UHFFFAOYSA-N 0 3 229.348 3.663 20 0 BHADHN CC(C)c1ccc(CN2CC=CCC2)cc1 ZINC000679322998 488336442 /nfs/dbraw/zinc/33/64/42/488336442.db2.gz PZWVLZUNNJJSDZ-UHFFFAOYSA-N 0 3 215.340 3.572 20 0 BHADHN Clc1cccc2c1CC[C@@H]2N1CC=CCC1 ZINC000679323186 488336913 /nfs/dbraw/zinc/33/69/13/488336913.db2.gz FQMJKDCYJBGTBH-AWEZNQCLSA-N 0 3 233.742 3.589 20 0 BHADHN Clc1cccc2c1CC[C@H]2N1CC=CCC1 ZINC000679323187 488337407 /nfs/dbraw/zinc/33/74/07/488337407.db2.gz FQMJKDCYJBGTBH-CQSZACIVSA-N 0 3 233.742 3.589 20 0 BHADHN c1cc(-c2ccccc2)oc1CN1CC=CCC1 ZINC000679357377 487931275 /nfs/dbraw/zinc/93/12/75/487931275.db2.gz LHPDTGRRWNYJHF-UHFFFAOYSA-N 0 3 239.318 3.709 20 0 BHADHN C[C@H]1CCN(CC(C)(C)c2ccccc2)C[C@H]1F ZINC000679357586 488344502 /nfs/dbraw/zinc/34/45/02/488344502.db2.gz ATYKJNKJUFKKTC-DZGCQCFKSA-N 0 3 249.373 3.644 20 0 BHADHN C[C@@H]1CCN(CC(C)(C)c2ccccc2)C[C@@H]1F ZINC000679357587 488344743 /nfs/dbraw/zinc/34/47/43/488344743.db2.gz ATYKJNKJUFKKTC-HIFRSBDPSA-N 0 3 249.373 3.644 20 0 BHADHN C[C@@H]1CCN(CC(C)(C)c2ccccc2)C[C@H]1F ZINC000679357588 488344331 /nfs/dbraw/zinc/34/43/31/488344331.db2.gz ATYKJNKJUFKKTC-UKRRQHHQSA-N 0 3 249.373 3.644 20 0 BHADHN C[C@H]1CCN(CC(C)(C)c2ccccc2)C[C@@H]1F ZINC000679357589 487931289 /nfs/dbraw/zinc/93/12/89/487931289.db2.gz ATYKJNKJUFKKTC-ZFWWWQNUSA-N 0 3 249.373 3.644 20 0 BHADHN CCc1oc2ccccc2c1CN1CC=CCC1 ZINC000679358066 488344778 /nfs/dbraw/zinc/34/47/78/488344778.db2.gz AMTPPHNYLBCFGR-UHFFFAOYSA-N 0 3 241.334 3.757 20 0 BHADHN CC(C)(C)c1ccc(CN2CC=CCC2)s1 ZINC000679358196 488344588 /nfs/dbraw/zinc/34/45/88/488344588.db2.gz DXUFQUVONBHBEO-UHFFFAOYSA-N 0 3 235.396 3.808 20 0 BHADHN Cc1cc2cc(CN3CC=CCC3)oc2cc1C ZINC000679358521 488345165 /nfs/dbraw/zinc/34/51/65/488345165.db2.gz HVUNEDWRSGPAJM-UHFFFAOYSA-N 0 3 241.334 3.812 20 0 BHADHN c1c2ccccc2sc1CN1CC=CCC1 ZINC000679359628 488345548 /nfs/dbraw/zinc/34/55/48/488345548.db2.gz PULWANCVWNZSRA-UHFFFAOYSA-N 0 3 229.348 3.663 20 0 BHADHN Cc1oc2ccccc2c1CN1CC=CCC1 ZINC000679359654 488345560 /nfs/dbraw/zinc/34/55/60/488345560.db2.gz QGJNUFYFDPVDOL-UHFFFAOYSA-N 0 3 227.307 3.503 20 0 BHADHN CCCCOc1ccc(CN2CC=CCC2)cc1 ZINC000679360066 488345866 /nfs/dbraw/zinc/34/58/66/488345866.db2.gz QQECAXNCULTOEA-UHFFFAOYSA-N 0 3 245.366 3.627 20 0 BHADHN Cc1cc(Cl)cc(C)c1CN1CC=CCC1 ZINC000679360142 488346088 /nfs/dbraw/zinc/34/60/88/488346088.db2.gz RMBDWNQEFWMCDZ-UHFFFAOYSA-N 0 3 235.758 3.719 20 0 BHADHN Clc1ccc(/C=C\CN2CC=CCC2)cc1 ZINC000679360198 488345650 /nfs/dbraw/zinc/34/56/50/488345650.db2.gz SGTORZOEJLGSQL-PLNGDYQASA-N 0 3 233.742 3.615 20 0 BHADHN Clc1ccc(/C=C/CN2CC=CCC2)cc1 ZINC000679360200 488345617 /nfs/dbraw/zinc/34/56/17/488345617.db2.gz SGTORZOEJLGSQL-SNAWJCMRSA-N 0 3 233.742 3.615 20 0 BHADHN C[C@H]1CCN(Cc2ccccc2C2CC2)C[C@H]1F ZINC000679362496 487943314 /nfs/dbraw/zinc/94/33/14/487943314.db2.gz YIBLZNYSVSAOFG-BLLLJJGKSA-N 0 3 247.357 3.744 20 0 BHADHN C[C@H]1CCN(Cc2ccccc2C2CC2)C[C@@H]1F ZINC000679362497 487943071 /nfs/dbraw/zinc/94/30/71/487943071.db2.gz YIBLZNYSVSAOFG-LRDDRELGSA-N 0 3 247.357 3.744 20 0 BHADHN C[C@@H]1CCN(Cc2ccccc2C2CC2)C[C@H]1F ZINC000679362498 487942995 /nfs/dbraw/zinc/94/29/95/487942995.db2.gz YIBLZNYSVSAOFG-MLGOLLRUSA-N 0 3 247.357 3.744 20 0 BHADHN C[C@@H]1CCN(Cc2ccccc2C2CC2)C[C@@H]1F ZINC000679362499 487943027 /nfs/dbraw/zinc/94/30/27/487943027.db2.gz YIBLZNYSVSAOFG-WBMJQRKESA-N 0 3 247.357 3.744 20 0 BHADHN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccc([O-])cc1 ZINC000679393321 488350442 /nfs/dbraw/zinc/35/04/42/488350442.db2.gz VZFLUZRGWKTVEE-HNNXBMFYSA-N 0 3 247.382 3.793 20 0 BHADHN CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccc([O-])cc1 ZINC000679393321 488350441 /nfs/dbraw/zinc/35/04/41/488350441.db2.gz VZFLUZRGWKTVEE-HNNXBMFYSA-N 0 3 247.382 3.793 20 0 BHADHN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccc([O-])cc1 ZINC000679393322 487978605 /nfs/dbraw/zinc/97/86/05/487978605.db2.gz VZFLUZRGWKTVEE-OAHLLOKOSA-N 0 3 247.382 3.793 20 0 BHADHN CC(C)C[C@H]1CCCC[N@@H+]1Cc1ccc([O-])cc1 ZINC000679393322 487978601 /nfs/dbraw/zinc/97/86/01/487978601.db2.gz VZFLUZRGWKTVEE-OAHLLOKOSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc([O-])cc1 ZINC000679393926 488350330 /nfs/dbraw/zinc/35/03/30/488350330.db2.gz XXBKSEWSPLAGET-BBRMVZONSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc([O-])cc1 ZINC000679393926 488350328 /nfs/dbraw/zinc/35/03/28/488350328.db2.gz XXBKSEWSPLAGET-BBRMVZONSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc([O-])cc1 ZINC000679393928 488350246 /nfs/dbraw/zinc/35/02/46/488350246.db2.gz XXBKSEWSPLAGET-CJNGLKHVSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1ccc([O-])cc1 ZINC000679393928 488350244 /nfs/dbraw/zinc/35/02/44/488350244.db2.gz XXBKSEWSPLAGET-CJNGLKHVSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccc([O-])cc1 ZINC000679393930 488350400 /nfs/dbraw/zinc/35/04/00/488350400.db2.gz XXBKSEWSPLAGET-CZUORRHYSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc([O-])cc1 ZINC000679393930 488350398 /nfs/dbraw/zinc/35/03/98/488350398.db2.gz XXBKSEWSPLAGET-CZUORRHYSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc([O-])cc1 ZINC000679393932 488350261 /nfs/dbraw/zinc/35/02/61/488350261.db2.gz XXBKSEWSPLAGET-XJKSGUPXSA-N 0 3 247.382 3.793 20 0 BHADHN CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1ccc([O-])cc1 ZINC000679393932 488350260 /nfs/dbraw/zinc/35/02/60/488350260.db2.gz XXBKSEWSPLAGET-XJKSGUPXSA-N 0 3 247.382 3.793 20 0 BHADHN C[C@H](c1cccs1)N(C)Cc1ccc(O)cc1 ZINC000679397018 488350773 /nfs/dbraw/zinc/35/07/73/488350773.db2.gz YYQKTFBFEDJHOP-LLVKDONJSA-N 0 3 247.363 3.647 20 0 BHADHN C[C@@H](c1cccs1)N(C)Cc1ccc(O)cc1 ZINC000679397019 488350620 /nfs/dbraw/zinc/35/06/20/488350620.db2.gz YYQKTFBFEDJHOP-NSHDSACASA-N 0 3 247.363 3.647 20 0 BHADHN CC(C)C(NCc1c(F)cccc1F)C(C)C ZINC000679536991 488356958 /nfs/dbraw/zinc/35/69/58/488356958.db2.gz TVGFSJDUESTASS-UHFFFAOYSA-N 0 3 241.325 3.735 20 0 BHADHN CC(C)=CCN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679542121 488357828 /nfs/dbraw/zinc/35/78/28/488357828.db2.gz NLCUWLJDVOSMGA-GHMZBOCLSA-N 0 3 235.293 3.615 20 0 BHADHN CC(C)=CCN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679542128 488357728 /nfs/dbraw/zinc/35/77/28/488357728.db2.gz NLCUWLJDVOSMGA-MNOVXSKESA-N 0 3 235.293 3.615 20 0 BHADHN CC(C)=CCN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679542129 488357905 /nfs/dbraw/zinc/35/79/05/488357905.db2.gz NLCUWLJDVOSMGA-QWRGUYRKSA-N 0 3 235.293 3.615 20 0 BHADHN CC(C)=CCN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679542131 488357873 /nfs/dbraw/zinc/35/78/73/488357873.db2.gz NLCUWLJDVOSMGA-WDEREUQCSA-N 0 3 235.293 3.615 20 0 BHADHN C[C@@H]1CC[C@H](C(F)(F)F)CN1[C@@H]1C=CCCC1 ZINC000679548893 488358106 /nfs/dbraw/zinc/35/81/06/488358106.db2.gz WHNCBGJWWSQTAS-GRYCIOLGSA-N 0 3 247.304 3.758 20 0 BHADHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1[C@@H]1C=CCCC1 ZINC000679548894 488358086 /nfs/dbraw/zinc/35/80/86/488358086.db2.gz WHNCBGJWWSQTAS-IJLUTSLNSA-N 0 3 247.304 3.758 20 0 BHADHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1[C@H]1C=CCCC1 ZINC000679548895 488358099 /nfs/dbraw/zinc/35/80/99/488358099.db2.gz WHNCBGJWWSQTAS-UTUOFQBUSA-N 0 3 247.304 3.758 20 0 BHADHN C[C@@H]1CC[C@H](C(F)(F)F)CN1[C@H]1C=CCCC1 ZINC000679548896 488358130 /nfs/dbraw/zinc/35/81/30/488358130.db2.gz WHNCBGJWWSQTAS-WOPDTQHZSA-N 0 3 247.304 3.758 20 0 BHADHN CC(C)[C@H](NC1CCC1)c1ccc(F)cc1F ZINC000679574561 488358675 /nfs/dbraw/zinc/35/86/75/488358675.db2.gz JPQDBUVCBOPFBA-AWEZNQCLSA-N 0 3 239.309 3.804 20 0 BHADHN CC(C)[C@@H](NC1CCC1)c1ccc(F)cc1F ZINC000679574563 488358850 /nfs/dbraw/zinc/35/88/50/488358850.db2.gz JPQDBUVCBOPFBA-CQSZACIVSA-N 0 3 239.309 3.804 20 0 BHADHN CCc1ccc([C@@H](NC2CSC2)C(C)C)cc1 ZINC000679624882 488359964 /nfs/dbraw/zinc/35/99/64/488359964.db2.gz KLQNIFOIOVLZPK-HNNXBMFYSA-N 0 3 249.423 3.651 20 0 BHADHN CCc1ccc([C@H](NC2CSC2)C(C)C)cc1 ZINC000679624883 488359870 /nfs/dbraw/zinc/35/98/70/488359870.db2.gz KLQNIFOIOVLZPK-OAHLLOKOSA-N 0 3 249.423 3.651 20 0 BHADHN c1ccc([C@H](NC2CSC2)C2CCCC2)cc1 ZINC000679625077 488360123 /nfs/dbraw/zinc/36/01/23/488360123.db2.gz AZOZYHUXOQKDKQ-HNNXBMFYSA-N 0 3 247.407 3.623 20 0 BHADHN c1ccc([C@@H](NC2CSC2)C2CCCC2)cc1 ZINC000679625078 488360187 /nfs/dbraw/zinc/36/01/87/488360187.db2.gz AZOZYHUXOQKDKQ-OAHLLOKOSA-N 0 3 247.407 3.623 20 0 BHADHN Cc1ccccc1[C@H](NC1CSC1)C(C)(C)C ZINC000679627007 487651553 /nfs/dbraw/zinc/65/15/53/487651553.db2.gz CLNMIORSLVTVDF-AWEZNQCLSA-N 0 3 249.423 3.787 20 0 BHADHN Cc1ccccc1[C@@H](NC1CSC1)C(C)(C)C ZINC000679627008 487651698 /nfs/dbraw/zinc/65/16/98/487651698.db2.gz CLNMIORSLVTVDF-CQSZACIVSA-N 0 3 249.423 3.787 20 0 BHADHN CC1(C)CC[C@H](NC2CSC2)c2ccccc21 ZINC000679627281 488360216 /nfs/dbraw/zinc/36/02/16/488360216.db2.gz KCEJIWIMPQJBEP-AWEZNQCLSA-N 0 3 247.407 3.504 20 0 BHADHN CC1(C)CC[C@@H](NC2CSC2)c2ccccc21 ZINC000679627283 488360284 /nfs/dbraw/zinc/36/02/84/488360284.db2.gz KCEJIWIMPQJBEP-CQSZACIVSA-N 0 3 247.407 3.504 20 0 BHADHN Cc1cccc([C@H](NC2CSC2)C(C)(C)C)c1 ZINC000679627726 488360198 /nfs/dbraw/zinc/36/01/98/488360198.db2.gz UQXYDIHUBCRYQW-AWEZNQCLSA-N 0 3 249.423 3.787 20 0 BHADHN Cc1cccc([C@@H](NC2CSC2)C(C)(C)C)c1 ZINC000679627727 488359949 /nfs/dbraw/zinc/35/99/49/488359949.db2.gz UQXYDIHUBCRYQW-CQSZACIVSA-N 0 3 249.423 3.787 20 0 BHADHN c1ccc([C@H](CC2CCC2)NC2CSC2)cc1 ZINC000679630912 488360584 /nfs/dbraw/zinc/36/05/84/488360584.db2.gz VIOLJAMBIRRHCI-HNNXBMFYSA-N 0 3 247.407 3.623 20 0 BHADHN c1ccc([C@@H](CC2CCC2)NC2CSC2)cc1 ZINC000679630914 488360664 /nfs/dbraw/zinc/36/06/64/488360664.db2.gz VIOLJAMBIRRHCI-OAHLLOKOSA-N 0 3 247.407 3.623 20 0 BHADHN CN(CCC(C)(C)C)Cc1ccsc1 ZINC000679652481 487779843 /nfs/dbraw/zinc/77/98/43/487779843.db2.gz GKLWLRVCISOGDH-UHFFFAOYSA-N 0 3 211.374 3.616 20 0 BHADHN CC[C@H](C)NCc1c(Cl)ccc2cccnc21 ZINC000679717459 488365297 /nfs/dbraw/zinc/36/52/97/488365297.db2.gz VNNBBIAEWIQOCV-JTQLQIEISA-N 0 3 248.757 3.776 20 0 BHADHN CC[C@@H](C)NCc1c(Cl)ccc2cccnc21 ZINC000679717460 488365137 /nfs/dbraw/zinc/36/51/37/488365137.db2.gz VNNBBIAEWIQOCV-SNVBAGLBSA-N 0 3 248.757 3.776 20 0 BHADHN Clc1ccc2cccnc2c1CNC1CCC1 ZINC000679719908 488365142 /nfs/dbraw/zinc/36/51/42/488365142.db2.gz RYNNKJRMEFLOQS-UHFFFAOYSA-N 0 3 246.741 3.530 20 0 BHADHN Cc1c2ccccc2oc1[C@H](C)NC1CSC1 ZINC000679840309 488368193 /nfs/dbraw/zinc/36/81/93/488368193.db2.gz FKGFEGKHNWUOMT-JTQLQIEISA-N 0 3 247.363 3.507 20 0 BHADHN Cc1c2ccccc2oc1[C@@H](C)NC1CSC1 ZINC000679840314 488368244 /nfs/dbraw/zinc/36/82/44/488368244.db2.gz FKGFEGKHNWUOMT-SNVBAGLBSA-N 0 3 247.363 3.507 20 0 BHADHN CCC(CC)(CC)CNCc1ncccc1F ZINC000679841144 487903926 /nfs/dbraw/zinc/90/39/26/487903926.db2.gz RUJNNOJAQZPFJU-UHFFFAOYSA-N 0 3 238.350 3.527 20 0 BHADHN COc1ccc(C)cc1CN(C)CCC(C)(C)C ZINC000679890908 487481355 /nfs/dbraw/zinc/48/13/55/487481355.db2.gz BQXXWKHWVUQKJZ-UHFFFAOYSA-N 0 3 249.398 3.872 20 0 BHADHN CCN(CCCc1ccsc1)Cc1ccoc1 ZINC000679925111 487489382 /nfs/dbraw/zinc/48/93/82/487489382.db2.gz AYAIUHVCHFDFEW-UHFFFAOYSA-N 0 3 249.379 3.796 20 0 BHADHN CCN(Cc1ccoc1)[C@H](C)Cc1ccsc1 ZINC000679986078 487508823 /nfs/dbraw/zinc/50/88/23/487508823.db2.gz PBCQRCGHXPTQRT-GFCCVEGCSA-N 0 3 249.379 3.794 20 0 BHADHN CCN(Cc1ccoc1)[C@@H](C)Cc1ccsc1 ZINC000679986079 487509855 /nfs/dbraw/zinc/50/98/55/487509855.db2.gz PBCQRCGHXPTQRT-LBPRGKRZSA-N 0 3 249.379 3.794 20 0 BHADHN CCc1cc(CNCC(CC)(CC)CC)on1 ZINC000679992298 487511873 /nfs/dbraw/zinc/51/18/73/487511873.db2.gz CBQCWOKVGVRSLP-UHFFFAOYSA-N 0 3 238.375 3.543 20 0 BHADHN Cc1nc2ccccc2c(N2CC=CCC2)c1C ZINC000680061441 487529858 /nfs/dbraw/zinc/52/98/58/487529858.db2.gz ZEKOIMDSROKWPP-UHFFFAOYSA-N 0 3 238.334 3.618 20 0 BHADHN Cc1cc(F)ccc1CN1CCC2(CC2)CC1 ZINC000680070891 487532424 /nfs/dbraw/zinc/53/24/24/487532424.db2.gz OXLOXOIZNUEMLC-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN Clc1ccccc1CCCN1CC=CCC1 ZINC000680078039 487533948 /nfs/dbraw/zinc/53/39/48/487533948.db2.gz VCHVQUAFKAHCGC-UHFFFAOYSA-N 0 3 235.758 3.535 20 0 BHADHN CC1CCC(CN2CC3(C2)CC(F)(F)C3)CC1 ZINC000680377706 487579151 /nfs/dbraw/zinc/57/91/51/487579151.db2.gz UYLORAHBPMGBBS-UHFFFAOYSA-N 0 3 243.341 3.544 20 0 BHADHN CCC(C)(C)CCN[C@@H](C)c1c(C)noc1C ZINC000680381116 487579927 /nfs/dbraw/zinc/57/99/27/487579927.db2.gz MIEJGVLYTYKNJF-JTQLQIEISA-N 0 3 238.375 3.768 20 0 BHADHN CCC(C)(C)CCN[C@H](C)c1c(C)noc1C ZINC000680381117 487579871 /nfs/dbraw/zinc/57/98/71/487579871.db2.gz MIEJGVLYTYKNJF-SNVBAGLBSA-N 0 3 238.375 3.768 20 0 BHADHN CCCC[C@@H](CC)CN1CC2(C1)CC(F)(F)C2 ZINC000680634830 487625687 /nfs/dbraw/zinc/62/56/87/487625687.db2.gz SWCIZYYCYVFQAB-GFCCVEGCSA-N 0 3 245.357 3.934 20 0 BHADHN CCCC[C@H](CC)CN1CC2(C1)CC(F)(F)C2 ZINC000680634831 487626010 /nfs/dbraw/zinc/62/60/10/487626010.db2.gz SWCIZYYCYVFQAB-LBPRGKRZSA-N 0 3 245.357 3.934 20 0 BHADHN FC1(F)CC2(CN(CC3CCCCCC3)C2)C1 ZINC000680817994 487651343 /nfs/dbraw/zinc/65/13/43/487651343.db2.gz JQYUSDMFPSFWJB-UHFFFAOYSA-N 0 3 243.341 3.688 20 0 BHADHN Cc1cccc2c1ncc(C)c2N1CC=CCC1 ZINC000680897519 487668455 /nfs/dbraw/zinc/66/84/55/487668455.db2.gz ZSEXVEIFCXHVFB-UHFFFAOYSA-N 0 3 238.334 3.618 20 0 BHADHN CC/C=C\CCN(C)Cc1ccsc1 ZINC000681019673 487697493 /nfs/dbraw/zinc/69/74/93/487697493.db2.gz ZPZKZOUFKYOUJK-PLNGDYQASA-N 0 3 209.358 3.536 20 0 BHADHN CC/C=C/CCN(C)Cc1ccsc1 ZINC000681019680 487697563 /nfs/dbraw/zinc/69/75/63/487697563.db2.gz ZPZKZOUFKYOUJK-SNAWJCMRSA-N 0 3 209.358 3.536 20 0 BHADHN CC/C=C\CCN(Cc1ccc(C)o1)C1CC1 ZINC000681020415 487697313 /nfs/dbraw/zinc/69/73/13/487697313.db2.gz YLTJUWDAHGOKAG-PLNGDYQASA-N 0 3 233.355 3.909 20 0 BHADHN CC/C=C/CCN(Cc1ccc(C)o1)C1CC1 ZINC000681020416 487697177 /nfs/dbraw/zinc/69/71/77/487697177.db2.gz YLTJUWDAHGOKAG-SNAWJCMRSA-N 0 3 233.355 3.909 20 0 BHADHN CC/C=C/CCN(CC)CCC(F)(F)F ZINC000681021129 487697082 /nfs/dbraw/zinc/69/70/82/487697082.db2.gz IVKHWGQWQBEUMO-AATRIKPKSA-N 0 3 223.282 3.617 20 0 BHADHN CC/C=C\CCN(CC)CCC(F)(F)F ZINC000681021130 487697450 /nfs/dbraw/zinc/69/74/50/487697450.db2.gz IVKHWGQWQBEUMO-WAYWQWQTSA-N 0 3 223.282 3.617 20 0 BHADHN CC/C=C\CCN1CC[C@@H]1c1cccc(F)c1 ZINC000681024795 487699960 /nfs/dbraw/zinc/69/99/60/487699960.db2.gz MQGUXZBGHYOAKB-ABCZVMIZSA-N 0 3 233.330 3.929 20 0 BHADHN CC/C=C/CCN1CC[C@H]1c1cccc(F)c1 ZINC000681024798 487699805 /nfs/dbraw/zinc/69/98/05/487699805.db2.gz MQGUXZBGHYOAKB-BWPKMQGJSA-N 0 3 233.330 3.929 20 0 BHADHN CC/C=C\CCN1CC[C@H]1c1cccc(F)c1 ZINC000681024800 487699976 /nfs/dbraw/zinc/69/99/76/487699976.db2.gz MQGUXZBGHYOAKB-JZIMQPMSSA-N 0 3 233.330 3.929 20 0 BHADHN CC/C=C/CCN1CC[C@@H]1c1cccc(F)c1 ZINC000681024801 487699721 /nfs/dbraw/zinc/69/97/21/487699721.db2.gz MQGUXZBGHYOAKB-NHZBNJEXSA-N 0 3 233.330 3.929 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@H](C)CCC1CC1 ZINC000681108302 487727970 /nfs/dbraw/zinc/72/79/70/487727970.db2.gz JDHHIBPDUKVSAC-NXEZZACHSA-N 0 3 236.359 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@@H](C)CCC1CC1 ZINC000681108303 487728442 /nfs/dbraw/zinc/72/84/42/487728442.db2.gz JDHHIBPDUKVSAC-UWVGGRQHSA-N 0 3 236.359 3.521 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)CCC1CC1 ZINC000681108304 487839377 /nfs/dbraw/zinc/83/93/77/487839377.db2.gz JDHHIBPDUKVSAC-VHSXEESVSA-N 0 3 236.359 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@H](C)CCC1CC1 ZINC000681108305 487839262 /nfs/dbraw/zinc/83/92/62/487839262.db2.gz JDHHIBPDUKVSAC-ZJUUUORDSA-N 0 3 236.359 3.521 20 0 BHADHN CCSc1cccc(CN2CC=CCC2)c1 ZINC000681166328 487739653 /nfs/dbraw/zinc/73/96/53/487739653.db2.gz VXKJZIYFGXCZMX-UHFFFAOYSA-N 0 3 233.380 3.561 20 0 BHADHN Cc1ccc(CN2C3CCCC2CCC3)c(C)n1 ZINC000681403987 487794322 /nfs/dbraw/zinc/79/43/22/487794322.db2.gz NTFFAAWQDUDKSK-UHFFFAOYSA-N 0 3 244.382 3.605 20 0 BHADHN Cc1cnc([C@H](C)N[C@H]2CCCCC[C@@H]2C)o1 ZINC000681412681 487796823 /nfs/dbraw/zinc/79/68/23/487796823.db2.gz QIQXHYJDPZVZSC-DRZSPHRISA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H]2CCCCC[C@H]2C)o1 ZINC000681412682 487795534 /nfs/dbraw/zinc/79/55/34/487795534.db2.gz QIQXHYJDPZVZSC-KGYLQXTDSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cnc([C@H](C)N[C@@H]2CCCCC[C@@H]2C)o1 ZINC000681412683 487795896 /nfs/dbraw/zinc/79/58/96/487795896.db2.gz QIQXHYJDPZVZSC-WCFLWFBJSA-N 0 3 236.359 3.602 20 0 BHADHN Cc1cnc([C@H](C)N[C@H]2CCCCC[C@H]2C)o1 ZINC000681412684 487794801 /nfs/dbraw/zinc/79/48/01/487794801.db2.gz QIQXHYJDPZVZSC-WXHSDQCUSA-N 0 3 236.359 3.602 20 0 BHADHN Clc1cccc(SCCN2CCCC2)c1 ZINC000681555694 487815606 /nfs/dbraw/zinc/81/56/06/487815606.db2.gz IAQWWQAXWQZGCA-UHFFFAOYSA-N 0 3 241.787 3.528 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1ccccc1OC ZINC000681641506 487829759 /nfs/dbraw/zinc/82/97/59/487829759.db2.gz LQKVVRLJXPXHSJ-CYBMUJFWSA-N 0 3 235.371 3.706 20 0 BHADHN CCCC[C@H](C)N(C)Cc1ccccc1OC ZINC000681641507 487830167 /nfs/dbraw/zinc/83/01/67/487830167.db2.gz LQKVVRLJXPXHSJ-ZDUSSCGKSA-N 0 3 235.371 3.706 20 0 BHADHN Clc1ccc(CN2CC[C@@H]3CCC[C@H]32)cc1 ZINC000681712212 487848330 /nfs/dbraw/zinc/84/83/30/487848330.db2.gz QTDBGUSFYYQJKS-GXTWGEPZSA-N 0 3 235.758 3.714 20 0 BHADHN Clc1ccc(CN2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000681712213 487847843 /nfs/dbraw/zinc/84/78/43/487847843.db2.gz QTDBGUSFYYQJKS-JSGCOSHPSA-N 0 3 235.758 3.714 20 0 BHADHN Clc1ccc(CN2CC[C@H]3CCC[C@@H]32)cc1 ZINC000681712214 487848701 /nfs/dbraw/zinc/84/87/01/487848701.db2.gz QTDBGUSFYYQJKS-OCCSQVGLSA-N 0 3 235.758 3.714 20 0 BHADHN Clc1ccc(CN2CC[C@H]3CCC[C@H]32)cc1 ZINC000681712215 487513841 /nfs/dbraw/zinc/51/38/41/487513841.db2.gz QTDBGUSFYYQJKS-TZMCWYRMSA-N 0 3 235.758 3.714 20 0 BHADHN Fc1cncc(CN(C2CC2)C2CCCCC2)c1 ZINC000681750443 487853368 /nfs/dbraw/zinc/85/33/68/487853368.db2.gz LGRSSKXMZCIEAW-UHFFFAOYSA-N 0 3 248.345 3.518 20 0 BHADHN CC(C)c1ccc2c(c1)[C@@H](NC1CSC1)CC2 ZINC000681754120 487854338 /nfs/dbraw/zinc/85/43/38/487854338.db2.gz CBSVTOGSOGAHRA-HNNXBMFYSA-N 0 3 247.407 3.502 20 0 BHADHN CC(C)c1ccc2c(c1)[C@H](NC1CSC1)CC2 ZINC000681754129 487854722 /nfs/dbraw/zinc/85/47/22/487854722.db2.gz CBSVTOGSOGAHRA-OAHLLOKOSA-N 0 3 247.407 3.502 20 0 BHADHN Clc1cscc1CN1CC[C@H]2CCC[C@H]21 ZINC000681754755 487854869 /nfs/dbraw/zinc/85/48/69/487854869.db2.gz JTTPFPQAJPCXCG-BXKDBHETSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1cscc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000681754756 487855005 /nfs/dbraw/zinc/85/50/05/487855005.db2.gz JTTPFPQAJPCXCG-CABZTGNLSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1cscc1CN1CC[C@@H]2CCC[C@H]21 ZINC000681754857 487855133 /nfs/dbraw/zinc/85/51/33/487855133.db2.gz JTTPFPQAJPCXCG-JOYOIKCWSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1cscc1CN1CC[C@H]2CCC[C@@H]21 ZINC000681754858 487854451 /nfs/dbraw/zinc/85/44/51/487854451.db2.gz JTTPFPQAJPCXCG-SKDRFNHKSA-N 0 3 241.787 3.776 20 0 BHADHN CC(C)CCCN(C)Cc1ccsc1 ZINC000681755377 487856044 /nfs/dbraw/zinc/85/60/44/487856044.db2.gz SMJDVDMTGHBXIM-UHFFFAOYSA-N 0 3 211.374 3.616 20 0 BHADHN Cc1ccccc1CNC(C)(C)CC(F)(F)F ZINC000681987895 487619939 /nfs/dbraw/zinc/61/99/39/487619939.db2.gz BIXSUPDPBORPFQ-UHFFFAOYSA-N 0 3 245.288 3.816 20 0 BHADHN Cc1ccc(CNC(C)(C)CC(F)(F)F)cc1 ZINC000681987927 487876176 /nfs/dbraw/zinc/87/61/76/487876176.db2.gz DLVUJWWTWBKXGJ-UHFFFAOYSA-N 0 3 245.288 3.816 20 0 BHADHN CC(C)(CC(F)(F)F)NCc1cccc(F)c1 ZINC000681989795 487875718 /nfs/dbraw/zinc/87/57/18/487875718.db2.gz SJZYGPJZLPDSBU-UHFFFAOYSA-N 0 3 249.251 3.646 20 0 BHADHN CC(C)(CC(F)(F)F)NCc1ccc(F)cc1 ZINC000681989839 487875569 /nfs/dbraw/zinc/87/55/69/487875569.db2.gz VJVNMLVARCOSIN-UHFFFAOYSA-N 0 3 249.251 3.646 20 0 BHADHN Cc1cccc(CNC(C)(C)CC(F)(F)F)c1 ZINC000681990140 487875906 /nfs/dbraw/zinc/87/59/06/487875906.db2.gz XNVPUHYJSYSXEN-UHFFFAOYSA-N 0 3 245.288 3.816 20 0 BHADHN CC(C)(CC(F)(F)F)NCc1ccccc1F ZINC000681990311 487875852 /nfs/dbraw/zinc/87/58/52/487875852.db2.gz ZVAFVLJHUDTJGL-UHFFFAOYSA-N 0 3 249.251 3.646 20 0 BHADHN CC(C)(C)CCCN1CC2(C1)CC(F)(F)C2 ZINC000682029727 487884045 /nfs/dbraw/zinc/88/40/45/487884045.db2.gz SWRWQCBRGAUUGZ-UHFFFAOYSA-N 0 3 231.330 3.544 20 0 BHADHN CC(C)(C)CCCN1CCC[C@@H](OC(F)F)C1 ZINC000682030031 487883981 /nfs/dbraw/zinc/88/39/81/487883981.db2.gz LSUMEWVVXNXPBY-LLVKDONJSA-N 0 3 249.345 3.516 20 0 BHADHN CC(C)(C)CCCN1CCC[C@H](OC(F)F)C1 ZINC000682030032 487883808 /nfs/dbraw/zinc/88/38/08/487883808.db2.gz LSUMEWVVXNXPBY-NSHDSACASA-N 0 3 249.345 3.516 20 0 BHADHN COc1cc(C)c([C@H](C)N2CC=CCC2)cc1C ZINC000682078526 487903226 /nfs/dbraw/zinc/90/32/26/487903226.db2.gz ZUBHVAQEOSTDHY-AWEZNQCLSA-N 0 3 245.366 3.635 20 0 BHADHN COc1cc(C)c([C@@H](C)N2CC=CCC2)cc1C ZINC000682078527 487903592 /nfs/dbraw/zinc/90/35/92/487903592.db2.gz ZUBHVAQEOSTDHY-CQSZACIVSA-N 0 3 245.366 3.635 20 0 BHADHN CCc1ccccc1CN(C)Cc1ccsc1 ZINC000682082928 487905611 /nfs/dbraw/zinc/90/56/11/487905611.db2.gz FKVASAHUQYHZCV-UHFFFAOYSA-N 0 3 245.391 3.943 20 0 BHADHN CCc1ccccc1CN(CC)Cc1ccoc1 ZINC000682082982 487904002 /nfs/dbraw/zinc/90/40/02/487904002.db2.gz GXDJNBRIGYNLCS-UHFFFAOYSA-N 0 3 243.350 3.864 20 0 BHADHN Cc1ccc(F)cc1CN1CCC2(CC2)CC1 ZINC000682085663 487905892 /nfs/dbraw/zinc/90/58/92/487905892.db2.gz JZHDNDFYFLRYMD-UHFFFAOYSA-N 0 3 233.330 3.510 20 0 BHADHN CCN(CCCC(C)C)CCC(F)(F)F ZINC000682153821 487915595 /nfs/dbraw/zinc/91/55/95/487915595.db2.gz SIENGTJBOJELKH-UHFFFAOYSA-N 0 3 225.298 3.697 20 0 BHADHN CCN(CCCC(C)C)Cc1ccoc1 ZINC000682154144 487915577 /nfs/dbraw/zinc/91/55/77/487915577.db2.gz VNBDYIQMVXJVBO-UHFFFAOYSA-N 0 3 209.333 3.538 20 0 BHADHN C[C@H](CN1CC=CCC1)c1cccc(Cl)c1 ZINC000682164711 487921496 /nfs/dbraw/zinc/92/14/96/487921496.db2.gz UXTRONKUYPTXKS-GFCCVEGCSA-N 0 3 235.758 3.705 20 0 BHADHN C[C@@H](CN1CC=CCC1)c1cccc(Cl)c1 ZINC000682164712 487921762 /nfs/dbraw/zinc/92/17/62/487921762.db2.gz UXTRONKUYPTXKS-LBPRGKRZSA-N 0 3 235.758 3.705 20 0 BHADHN CC(C)(C)C1=CCN(Cc2ccc(O)cc2)CC1 ZINC000682404947 487948342 /nfs/dbraw/zinc/94/83/42/487948342.db2.gz NOXOGFVIFBWEGL-UHFFFAOYSA-N 0 3 245.366 3.570 20 0 BHADHN c1cc(CNC2CCC3(CCCCC3)CC2)no1 ZINC000682420002 487954486 /nfs/dbraw/zinc/95/44/86/487954486.db2.gz LDZITJUFQQKENZ-UHFFFAOYSA-N 0 3 248.370 3.657 20 0 BHADHN CCc1cccc(CN(C)Cc2ccsc2)c1 ZINC000682517255 487975140 /nfs/dbraw/zinc/97/51/40/487975140.db2.gz UQMAFDMEFOIXNA-UHFFFAOYSA-N 0 3 245.391 3.943 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@H]1CCC12CCCC2 ZINC000682731703 488027254 /nfs/dbraw/zinc/02/72/54/488027254.db2.gz GUTGRWMNCJAILM-GWCFXTLKSA-N 0 3 248.370 3.665 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CCC12CCCC2 ZINC000682731704 488027789 /nfs/dbraw/zinc/02/77/89/488027789.db2.gz GUTGRWMNCJAILM-GXFFZTMASA-N 0 3 248.370 3.665 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@H]1CCC12CCCC2 ZINC000682731705 487544013 /nfs/dbraw/zinc/54/40/13/487544013.db2.gz GUTGRWMNCJAILM-MFKMUULPSA-N 0 3 248.370 3.665 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCC12CCCC2 ZINC000682731706 487543820 /nfs/dbraw/zinc/54/38/20/487543820.db2.gz GUTGRWMNCJAILM-ZWNOBZJWSA-N 0 3 248.370 3.665 20 0 BHADHN CC(C)c1cc(CN[C@H]2CCC23CCCC3)on1 ZINC000682733282 488027240 /nfs/dbraw/zinc/02/72/40/488027240.db2.gz WFSRCTCHCXHBLY-AWEZNQCLSA-N 0 3 248.370 3.610 20 0 BHADHN CC(C)c1cc(CN[C@@H]2CCC23CCCC3)on1 ZINC000682733283 488027267 /nfs/dbraw/zinc/02/72/67/488027267.db2.gz WFSRCTCHCXHBLY-CQSZACIVSA-N 0 3 248.370 3.610 20 0 BHADHN CCn1ccc(CN(C)[C@@H](C)c2ccccc2)c1 ZINC000682777702 488037839 /nfs/dbraw/zinc/03/78/39/488037839.db2.gz GLRRNJQMSAUQFR-AWEZNQCLSA-N 0 3 242.366 3.701 20 0 BHADHN CCn1ccc(CN(C)[C@H](C)c2ccccc2)c1 ZINC000682777703 488037329 /nfs/dbraw/zinc/03/73/29/488037329.db2.gz GLRRNJQMSAUQFR-CQSZACIVSA-N 0 3 242.366 3.701 20 0 BHADHN CCn1ccc(CN(C)Cc2sccc2C)c1 ZINC000682778131 488038609 /nfs/dbraw/zinc/03/86/09/488038609.db2.gz VKFUIAVGFQIMHM-UHFFFAOYSA-N 0 3 248.395 3.510 20 0 BHADHN CCn1ccc(CN(C)Cc2ccc(C)s2)c1 ZINC000682780955 488040170 /nfs/dbraw/zinc/04/01/70/488040170.db2.gz VNNKTFDVEVVMGO-UHFFFAOYSA-N 0 3 248.395 3.510 20 0 BHADHN Cc1ccc(CN(C)C[C@@H]2CCCC[C@H]2C)nc1 ZINC000682787176 488040293 /nfs/dbraw/zinc/04/02/93/488040293.db2.gz GLQBHQSOLCBUKN-CABCVRRESA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN(C)C[C@@H]2CCCC[C@@H]2C)nc1 ZINC000682787179 488040945 /nfs/dbraw/zinc/04/09/45/488040945.db2.gz GLQBHQSOLCBUKN-GJZGRUSLSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN(C)C[C@H]2CCCC[C@H]2C)nc1 ZINC000682787180 488041161 /nfs/dbraw/zinc/04/11/61/488041161.db2.gz GLQBHQSOLCBUKN-HUUCEWRRSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN(C)C[C@H]2CCCC[C@@H]2C)nc1 ZINC000682787181 488040257 /nfs/dbraw/zinc/04/02/57/488040257.db2.gz GLQBHQSOLCBUKN-LSDHHAIUSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN(C)C[C@@H]2CCC[C@H](C)C2)nc1 ZINC000682788331 488042084 /nfs/dbraw/zinc/04/20/84/488042084.db2.gz VLNRAAKMWSJJNW-DZGCQCFKSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN(C)C[C@H]2CCC[C@@H](C)C2)nc1 ZINC000682788332 488042047 /nfs/dbraw/zinc/04/20/47/488042047.db2.gz VLNRAAKMWSJJNW-HIFRSBDPSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN(C)C[C@@H]2CCC[C@@H](C)C2)nc1 ZINC000682788334 488041885 /nfs/dbraw/zinc/04/18/85/488041885.db2.gz VLNRAAKMWSJJNW-UKRRQHHQSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN(C)C[C@H]2CCC[C@H](C)C2)nc1 ZINC000682788337 488041838 /nfs/dbraw/zinc/04/18/38/488041838.db2.gz VLNRAAKMWSJJNW-ZFWWWQNUSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN(C)CC2CCCCCC2)nc1 ZINC000682788583 488042072 /nfs/dbraw/zinc/04/20/72/488042072.db2.gz QNTFDIZZORCYTL-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN CC(C)=CCN[C@H]1CCc2c1cc(F)cc2F ZINC000682886736 488060297 /nfs/dbraw/zinc/06/02/97/488060297.db2.gz DUZSSHHTESQJLQ-AWEZNQCLSA-N 0 3 237.293 3.508 20 0 BHADHN CC(C)=CCN[C@@H]1CCc2c1cc(F)cc2F ZINC000682886737 488060120 /nfs/dbraw/zinc/06/01/20/488060120.db2.gz DUZSSHHTESQJLQ-CQSZACIVSA-N 0 3 237.293 3.508 20 0 BHADHN Clc1sccc1CN1CCC[C@@H]1C1CC1 ZINC000682996284 488081914 /nfs/dbraw/zinc/08/19/14/488081914.db2.gz PKAJETNHZLBYNT-LLVKDONJSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1sccc1CN1CCC[C@H]1C1CC1 ZINC000682996285 488082133 /nfs/dbraw/zinc/08/21/33/488082133.db2.gz PKAJETNHZLBYNT-NSHDSACASA-N 0 3 241.787 3.776 20 0 BHADHN Cc1ccnc(CN(C)CCC2CCCCC2)c1 ZINC000683007070 488087298 /nfs/dbraw/zinc/08/72/98/488087298.db2.gz YBVZTQFTYIHHGW-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN Cc1ccnc(CN2CCC(C(C)(C)C)CC2)c1 ZINC000683009689 488089080 /nfs/dbraw/zinc/08/90/80/488089080.db2.gz QZTPQDXQCMYCBG-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccnc(CN2CCC3(C2)CCCCC3)c1 ZINC000683010575 488090088 /nfs/dbraw/zinc/09/00/88/488090088.db2.gz JHMWBWHZMFLAJV-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN CCC1CCC(N(C)Cc2cc(C)ccn2)CC1 ZINC000683010660 488090471 /nfs/dbraw/zinc/09/04/71/488090471.db2.gz CYDYEDVXSJEIQA-UHFFFAOYSA-N 0 3 246.398 3.791 20 0 BHADHN Cc1ccnc(CN(C)C2CCC(C)(C)CC2)c1 ZINC000683011197 488090457 /nfs/dbraw/zinc/09/04/57/488090457.db2.gz KCVKACBGWRJCGH-UHFFFAOYSA-N 0 3 246.398 3.791 20 0 BHADHN CCC[C@@]1(C)CCCN(Cc2cc(C)ccn2)C1 ZINC000683012428 488092395 /nfs/dbraw/zinc/09/23/95/488092395.db2.gz LLVUEXXURPCHTP-INIZCTEOSA-N 0 3 246.398 3.792 20 0 BHADHN CCC[C@]1(C)CCCN(Cc2cc(C)ccn2)C1 ZINC000683012430 488092234 /nfs/dbraw/zinc/09/22/34/488092234.db2.gz LLVUEXXURPCHTP-MRXNPFEDSA-N 0 3 246.398 3.792 20 0 BHADHN Cc1ccnc(CN2CCC[C@@H](CC(C)C)C2)c1 ZINC000683013573 488091603 /nfs/dbraw/zinc/09/16/03/488091603.db2.gz IUZWACRXCKKCIA-HNNXBMFYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccnc(CN2CCC[C@H](CC(C)C)C2)c1 ZINC000683013574 488091898 /nfs/dbraw/zinc/09/18/98/488091898.db2.gz IUZWACRXCKKCIA-OAHLLOKOSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccnc(CN2CC=C(C(C)(C)C)CC2)c1 ZINC000683018618 490153091 /nfs/dbraw/zinc/15/30/91/490153091.db2.gz DNQVSUFVSTXZNY-UHFFFAOYSA-N 0 3 244.382 3.568 20 0 BHADHN Cc1ccnc(CN2CC(C)(C)CC(C)(C)C2)c1 ZINC000683022526 488097991 /nfs/dbraw/zinc/09/79/91/488097991.db2.gz JQJLKPAOGQHPHA-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccnc(CN2CCC(C)(C(C)C)CC2)c1 ZINC000683024437 488098890 /nfs/dbraw/zinc/09/88/90/488098890.db2.gz QLOUQGYRHCLVQM-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CCC1(CC)CCN(Cc2cc(C)ccn2)CC1 ZINC000683024918 488099642 /nfs/dbraw/zinc/09/96/42/488099642.db2.gz XAUKIQQEIBEDBG-UHFFFAOYSA-N 0 3 246.398 3.792 20 0 BHADHN COc1ccc(C)cc1CNC1CC(C(C)C)C1 ZINC000683078178 488106133 /nfs/dbraw/zinc/10/61/33/488106133.db2.gz BMYOTQRPKKDFCG-UHFFFAOYSA-N 0 3 247.382 3.528 20 0 BHADHN CC(C)c1cc(CNC2CCC3(CC3)CC2)on1 ZINC000683079885 488105174 /nfs/dbraw/zinc/10/51/74/488105174.db2.gz VHULBAIRJQGRBW-UHFFFAOYSA-N 0 3 248.370 3.610 20 0 BHADHN Cc1noc(C)c1[C@H](C)NC1CCC2(CC2)CC1 ZINC000683106598 488108881 /nfs/dbraw/zinc/10/88/81/488108881.db2.gz BWVNNSYFGTZJKZ-JTQLQIEISA-N 0 3 248.370 3.665 20 0 BHADHN Cc1noc(C)c1[C@@H](C)NC1CCC2(CC2)CC1 ZINC000683106599 488108493 /nfs/dbraw/zinc/10/84/93/488108493.db2.gz BWVNNSYFGTZJKZ-SNVBAGLBSA-N 0 3 248.370 3.665 20 0 BHADHN CCC[C@H](NC1CC(C(C)C)C1)c1ccccn1 ZINC000683107067 488109153 /nfs/dbraw/zinc/10/91/53/488109153.db2.gz ICAQRPVSLJBRPM-XUJLQICISA-N 0 3 246.398 3.947 20 0 BHADHN CCC[C@@H](NC1CC(C(C)C)C1)c1ccccn1 ZINC000683107068 488108933 /nfs/dbraw/zinc/10/89/33/488108933.db2.gz ICAQRPVSLJBRPM-ZBCRRDGASA-N 0 3 246.398 3.947 20 0 BHADHN CCCc1ccc(CNC2CC(F)(F)C2)cc1 ZINC000683206125 488130391 /nfs/dbraw/zinc/13/03/91/488130391.db2.gz FMUFQEZGDMVUGS-UHFFFAOYSA-N 0 3 239.309 3.526 20 0 BHADHN CCN(C)Cc1ccc(-c2cccs2)cc1 ZINC000683518787 488182541 /nfs/dbraw/zinc/18/25/41/488182541.db2.gz KQOAZACMDFVYKB-UHFFFAOYSA-N 0 3 231.364 3.867 20 0 BHADHN Cc1ccc(CN(CC2(C)CCC2)C2CC2)o1 ZINC000683696773 488209010 /nfs/dbraw/zinc/20/90/10/488209010.db2.gz VXDUPZMAVUCQHY-UHFFFAOYSA-N 0 3 233.355 3.743 20 0 BHADHN Cc1ccc(CN2C3CCC2CC3)cc1Cl ZINC000683696846 488208788 /nfs/dbraw/zinc/20/87/88/488208788.db2.gz ZIWLBIYONYJTNQ-UHFFFAOYSA-N 0 3 235.758 3.775 20 0 BHADHN CC1(CN2CC[C@H]2c2cccc(F)c2)CCC1 ZINC000683699907 488210099 /nfs/dbraw/zinc/21/00/99/488210099.db2.gz SDABRCMYHOZUNG-AWEZNQCLSA-N 0 3 233.330 3.763 20 0 BHADHN CC1(CN2CC[C@@H]2c2cccc(F)c2)CCC1 ZINC000683699911 488210082 /nfs/dbraw/zinc/21/00/82/488210082.db2.gz SDABRCMYHOZUNG-CQSZACIVSA-N 0 3 233.330 3.763 20 0 BHADHN Cc1ccc(NCC2(C)CCC2)c(CN(C)C)c1 ZINC000683701663 488207084 /nfs/dbraw/zinc/20/70/84/488207084.db2.gz WPLICKFMRHVCGD-UHFFFAOYSA-N 0 3 246.398 3.659 20 0 BHADHN Cc1ccc2c(c1C)OC[C@@H]2NCC1(C)CCC1 ZINC000683703237 488211002 /nfs/dbraw/zinc/21/10/02/488211002.db2.gz MHXOTHCBXZJVPP-AWEZNQCLSA-N 0 3 245.366 3.517 20 0 BHADHN Cc1ccc2c(c1C)OC[C@H]2NCC1(C)CCC1 ZINC000683703238 488211007 /nfs/dbraw/zinc/21/10/07/488211007.db2.gz MHXOTHCBXZJVPP-CQSZACIVSA-N 0 3 245.366 3.517 20 0 BHADHN C[C@H](CCN1CC[C@@H](C)[C@@H](F)C1)c1ccccc1 ZINC000683708372 488211996 /nfs/dbraw/zinc/21/19/96/488211996.db2.gz IFVIGCCALYPHAA-FMKPAKJESA-N 0 3 249.373 3.860 20 0 BHADHN C[C@H](CCN1CC[C@@H](C)[C@H](F)C1)c1ccccc1 ZINC000683708373 488211687 /nfs/dbraw/zinc/21/16/87/488211687.db2.gz IFVIGCCALYPHAA-IIAWOOMASA-N 0 3 249.373 3.860 20 0 BHADHN C[C@H](CCN1CC[C@H](C)[C@H](F)C1)c1ccccc1 ZINC000683708374 488211723 /nfs/dbraw/zinc/21/17/23/488211723.db2.gz IFVIGCCALYPHAA-IJEWVQPXSA-N 0 3 249.373 3.860 20 0 BHADHN C[C@H](CCN1CC[C@H](C)[C@@H](F)C1)c1ccccc1 ZINC000683708375 487688781 /nfs/dbraw/zinc/68/87/81/487688781.db2.gz IFVIGCCALYPHAA-YCPHGPKFSA-N 0 3 249.373 3.860 20 0 BHADHN c1cc(C2CCC2)ccc1CN1CC=CCC1 ZINC000683787153 488221984 /nfs/dbraw/zinc/22/19/84/488221984.db2.gz ZYROJKFQVFJNCI-UHFFFAOYSA-N 0 3 227.351 3.716 20 0 BHADHN Clc1ccsc1CN1CCC[C@@H]1C1CC1 ZINC000683829338 488228822 /nfs/dbraw/zinc/22/88/22/488228822.db2.gz UJHOGZAORSYOCS-LLVKDONJSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1ccsc1CN1CCC[C@H]1C1CC1 ZINC000683829339 488224172 /nfs/dbraw/zinc/22/41/72/488224172.db2.gz UJHOGZAORSYOCS-NSHDSACASA-N 0 3 241.787 3.776 20 0 BHADHN CC1(CN2CCS[C@H](c3ccccc3)C2)CC1 ZINC000683829837 488229134 /nfs/dbraw/zinc/22/91/34/488229134.db2.gz FGJRFWAHJGANDF-AWEZNQCLSA-N 0 3 247.407 3.577 20 0 BHADHN CC1(CN2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000683829838 488228563 /nfs/dbraw/zinc/22/85/63/488228563.db2.gz FGJRFWAHJGANDF-CQSZACIVSA-N 0 3 247.407 3.577 20 0 BHADHN CN(Cc1ccc(Cl)c(F)c1)CC1(C)CC1 ZINC000683832894 488229903 /nfs/dbraw/zinc/22/99/03/488229903.db2.gz NGIPDHHGYPSSGY-UHFFFAOYSA-N 0 3 241.737 3.711 20 0 BHADHN Clc1ccsc1CN1CC[C@@H]2CCC[C@H]21 ZINC000683839998 488230233 /nfs/dbraw/zinc/23/02/33/488230233.db2.gz KITQKEGLGZBNRF-GXSJLCMTSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1ccsc1CN1CC[C@H]2CCC[C@@H]21 ZINC000683839999 488229859 /nfs/dbraw/zinc/22/98/59/488229859.db2.gz KITQKEGLGZBNRF-KOLCDFICSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1ccsc1CN1CC[C@H]2CCC[C@H]21 ZINC000683840000 488229954 /nfs/dbraw/zinc/22/99/54/488229954.db2.gz KITQKEGLGZBNRF-MWLCHTKSSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1ccsc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000683840001 488229940 /nfs/dbraw/zinc/22/99/40/488229940.db2.gz KITQKEGLGZBNRF-ONGXEEELSA-N 0 3 241.787 3.776 20 0 BHADHN CCCCCN(Cc1oc(C)nc1C)C(C)C ZINC000683897868 488239510 /nfs/dbraw/zinc/23/95/10/488239510.db2.gz DDNKWWPZNWYMQB-UHFFFAOYSA-N 0 3 238.375 3.692 20 0 BHADHN Cc1nc(C)c(CNC(C)(C)CC(C)(C)C)o1 ZINC000683899145 488241132 /nfs/dbraw/zinc/24/11/32/488241132.db2.gz YOFSFCHPGLRZLX-UHFFFAOYSA-N 0 3 238.375 3.596 20 0 BHADHN C[C@@H]1CCCCN1Cc1cc2ccccc2[nH]1 ZINC000684019128 488255510 /nfs/dbraw/zinc/25/55/10/488255510.db2.gz KTWYRZKWCJBJHI-GFCCVEGCSA-N 0 3 228.339 3.542 20 0 BHADHN C[C@H]1CCCCN1Cc1cc2ccccc2[nH]1 ZINC000684019129 488255672 /nfs/dbraw/zinc/25/56/72/488255672.db2.gz KTWYRZKWCJBJHI-LBPRGKRZSA-N 0 3 228.339 3.542 20 0 BHADHN CC1(C)CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000684020110 488255456 /nfs/dbraw/zinc/25/54/56/488255456.db2.gz GUCBZZFIHFXFAQ-UHFFFAOYSA-N 0 3 242.366 3.790 20 0 BHADHN c1c2ccccc2[nH]c1CN1CCC2(CCC2)C1 ZINC000684020624 488255681 /nfs/dbraw/zinc/25/56/81/488255681.db2.gz GIMLCTTUUGRTTK-UHFFFAOYSA-N 0 3 240.350 3.544 20 0 BHADHN CC[C@@]1(C)CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000684021322 488256293 /nfs/dbraw/zinc/25/62/93/488256293.db2.gz OACKBPCYNZHKEJ-INIZCTEOSA-N 0 3 242.366 3.790 20 0 BHADHN CC[C@]1(C)CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000684021323 488256095 /nfs/dbraw/zinc/25/60/95/488256095.db2.gz OACKBPCYNZHKEJ-MRXNPFEDSA-N 0 3 242.366 3.790 20 0 BHADHN CCC1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684021528 488256143 /nfs/dbraw/zinc/25/61/43/488256143.db2.gz YRUMABWFWVUJIT-UHFFFAOYSA-N 0 3 242.366 3.790 20 0 BHADHN C[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000684021638 488256489 /nfs/dbraw/zinc/25/64/89/488256489.db2.gz QTQTUNPLHSCYAE-CHWSQXEVSA-N 0 3 242.366 3.646 20 0 BHADHN C[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000684021640 488255952 /nfs/dbraw/zinc/25/59/52/488255952.db2.gz QTQTUNPLHSCYAE-OLZOCXBDSA-N 0 3 242.366 3.646 20 0 BHADHN C[C@H]1CCN(Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000684021642 488256057 /nfs/dbraw/zinc/25/60/57/488256057.db2.gz QTQTUNPLHSCYAE-QWHCGFSZSA-N 0 3 242.366 3.646 20 0 BHADHN C[C@H]1CN(Cc2cc3ccccc3[nH]2)CC[C@@H]1C ZINC000684021643 488256482 /nfs/dbraw/zinc/25/64/82/488256482.db2.gz QTQTUNPLHSCYAE-STQMWFEESA-N 0 3 242.366 3.646 20 0 BHADHN CC1(C)CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684022234 487741756 /nfs/dbraw/zinc/74/17/56/487741756.db2.gz HYIXPUXKPYWTGX-UHFFFAOYSA-N 0 3 242.366 3.790 20 0 BHADHN c1c2ccccc2[nH]c1CN1CCCC2(CC2)C1 ZINC000684023680 488257066 /nfs/dbraw/zinc/25/70/66/488257066.db2.gz AFQIXXIZVYOHEY-UHFFFAOYSA-N 0 3 240.350 3.544 20 0 BHADHN FC1(CN2CCC3(CCCCC3)CC2)CC1 ZINC000684358345 488299678 /nfs/dbraw/zinc/29/96/78/488299678.db2.gz LLHBYAAUODFBRX-UHFFFAOYSA-N 0 3 225.351 3.535 20 0 BHADHN C/C(=C\c1ccccc1)CN1CC(C(C)C)C1 ZINC000684407810 488307359 /nfs/dbraw/zinc/30/73/59/488307359.db2.gz DEOHYXHTRZVFID-NTEUORMPSA-N 0 3 229.367 3.678 20 0 BHADHN C/C(=C/c1ccccc1)CN1CC(C(C)C)C1 ZINC000684407812 488307315 /nfs/dbraw/zinc/30/73/15/488307315.db2.gz DEOHYXHTRZVFID-ZROIWOOFSA-N 0 3 229.367 3.678 20 0 BHADHN CC(C)C1CN(Cc2coc3ccccc23)C1 ZINC000684408186 488307915 /nfs/dbraw/zinc/30/79/15/488307915.db2.gz GFGQGOBKROKINS-UHFFFAOYSA-N 0 3 229.323 3.521 20 0 BHADHN CC(C)Oc1cccc(CN2CC(C(C)C)C2)c1 ZINC000684408628 488307960 /nfs/dbraw/zinc/30/79/60/488307960.db2.gz KWOXJCWXXKLIEJ-UHFFFAOYSA-N 0 3 247.382 3.562 20 0 BHADHN CC(C)Oc1ccc(CN2CC(C(C)C)C2)cc1 ZINC000684408646 488308029 /nfs/dbraw/zinc/30/80/29/488308029.db2.gz LMDGQMIKBHCTKS-UHFFFAOYSA-N 0 3 247.382 3.562 20 0 BHADHN CC(C)Oc1ccccc1CN1CC(C(C)C)C1 ZINC000684408747 487872399 /nfs/dbraw/zinc/87/23/99/487872399.db2.gz NWPJIKROJKJVOA-UHFFFAOYSA-N 0 3 247.382 3.562 20 0 BHADHN CCCOc1cccc(CN2CC(C(C)C)C2)c1 ZINC000684409096 488308481 /nfs/dbraw/zinc/30/84/81/488308481.db2.gz PPAWPYLBMBNPRK-UHFFFAOYSA-N 0 3 247.382 3.563 20 0 BHADHN CC(C)C1CN(Cc2ccc(C(F)F)cc2)C1 ZINC000684409228 488308452 /nfs/dbraw/zinc/30/84/52/488308452.db2.gz RSPPCRQNQARZAG-UHFFFAOYSA-N 0 3 239.309 3.712 20 0 BHADHN CC(C)C1CN(Cc2cc3ccccc3o2)C1 ZINC000684409520 488308272 /nfs/dbraw/zinc/30/82/72/488308272.db2.gz XAUOEDKWPUVDNN-UHFFFAOYSA-N 0 3 229.323 3.521 20 0 BHADHN CC(C)C1CN(Cc2cc3cc(F)ccc3o2)C1 ZINC000684409585 488308561 /nfs/dbraw/zinc/30/85/61/488308561.db2.gz YLZKJJCNUOTFHW-UHFFFAOYSA-N 0 3 247.313 3.660 20 0 BHADHN CCCOc1ccc(CN2CC(C(C)C)C2)cc1 ZINC000684409586 488308588 /nfs/dbraw/zinc/30/85/88/488308588.db2.gz YOCLSEWPWIDSCZ-UHFFFAOYSA-N 0 3 247.382 3.563 20 0 BHADHN Cc1cccc(CN2CCC(F)(F)CC2)c1C ZINC000684428226 488311645 /nfs/dbraw/zinc/31/16/45/488311645.db2.gz CPFVHFQUTSHHFO-UHFFFAOYSA-N 0 3 239.309 3.535 20 0 BHADHN Cc1cc(C)cc(CN2CCC(F)(F)CC2)c1 ZINC000684428268 488311661 /nfs/dbraw/zinc/31/16/61/488311661.db2.gz FLBFBNMUGUCWJF-UHFFFAOYSA-N 0 3 239.309 3.535 20 0 BHADHN CC(C)=CCN1CC=C(c2ccc(F)cc2)CC1 ZINC000684599308 488330479 /nfs/dbraw/zinc/33/04/79/488330479.db2.gz IZKNCLIEHRPGLU-UHFFFAOYSA-N 0 3 245.341 3.881 20 0 BHADHN CC(C)=CCC[C@H](C)CCN(C)Cc1cn[nH]c1 ZINC000684613371 488332200 /nfs/dbraw/zinc/33/22/00/488332200.db2.gz PYNRZFXLSRFQBO-AWEZNQCLSA-N 0 3 249.402 3.614 20 0 BHADHN CC(C)=CCC[C@@H](C)CCN(C)Cc1cn[nH]c1 ZINC000684613372 488332048 /nfs/dbraw/zinc/33/20/48/488332048.db2.gz PYNRZFXLSRFQBO-CQSZACIVSA-N 0 3 249.402 3.614 20 0 BHADHN CC(C)=CCC[C@@H](C)CCNCc1cc(C)n[nH]1 ZINC000684613799 488332228 /nfs/dbraw/zinc/33/22/28/488332228.db2.gz MKUOYIANOWXKNI-CYBMUJFWSA-N 0 3 249.402 3.580 20 0 BHADHN CC(C)=CCC[C@H](C)CCNCc1cc(C)n[nH]1 ZINC000684613800 488332274 /nfs/dbraw/zinc/33/22/74/488332274.db2.gz MKUOYIANOWXKNI-ZDUSSCGKSA-N 0 3 249.402 3.580 20 0 BHADHN CC1=C(C)CN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684614567 488332160 /nfs/dbraw/zinc/33/21/60/488332160.db2.gz OKEJHVXBAHRKGV-UHFFFAOYSA-N 0 3 240.350 3.710 20 0 BHADHN Cc1ccccc1[C@@H](C)N1CCC(F)(F)CC1 ZINC000684623465 488334831 /nfs/dbraw/zinc/33/48/31/488334831.db2.gz BRUSYPJUGUJNBC-GFCCVEGCSA-N 0 3 239.309 3.787 20 0 BHADHN Cc1ccccc1[C@H](C)N1CCC(F)(F)CC1 ZINC000684623466 487948673 /nfs/dbraw/zinc/94/86/73/487948673.db2.gz BRUSYPJUGUJNBC-LBPRGKRZSA-N 0 3 239.309 3.787 20 0 BHADHN CC[C@H](c1ccccc1)N1CCC(F)(F)CC1 ZINC000684623775 488334523 /nfs/dbraw/zinc/33/45/23/488334523.db2.gz HEWGSVQAUFYSSW-CYBMUJFWSA-N 0 3 239.309 3.869 20 0 BHADHN CC[C@@H](c1ccccc1)N1CCC(F)(F)CC1 ZINC000684623776 488334776 /nfs/dbraw/zinc/33/47/76/488334776.db2.gz HEWGSVQAUFYSSW-ZDUSSCGKSA-N 0 3 239.309 3.869 20 0 BHADHN CC(C)(C)CCCN1CCC(F)(F)CC1 ZINC000684625777 488335176 /nfs/dbraw/zinc/33/51/76/488335176.db2.gz HUKMGNCDTNXUMY-UHFFFAOYSA-N 0 3 219.319 3.544 20 0 BHADHN CC1=C[C@@H](C)CN(Cc2cc3ccccc3[nH]2)C1 ZINC000684682800 488338842 /nfs/dbraw/zinc/33/88/42/488338842.db2.gz CBUFBTDIKNXGKJ-GFCCVEGCSA-N 0 3 240.350 3.566 20 0 BHADHN CC1=C[C@H](C)CN(Cc2cc3ccccc3[nH]2)C1 ZINC000684682801 488338853 /nfs/dbraw/zinc/33/88/53/488338853.db2.gz CBUFBTDIKNXGKJ-LBPRGKRZSA-N 0 3 240.350 3.566 20 0 BHADHN CC[C@H](NCCF)c1cccc2ccccc21 ZINC000684773291 488341492 /nfs/dbraw/zinc/34/14/92/488341492.db2.gz HFDPAVOSVDHCNL-HNNXBMFYSA-N 0 3 231.314 3.850 20 0 BHADHN CC[C@@H](NCCF)c1cccc2ccccc21 ZINC000684773292 488341506 /nfs/dbraw/zinc/34/15/06/488341506.db2.gz HFDPAVOSVDHCNL-OAHLLOKOSA-N 0 3 231.314 3.850 20 0 BHADHN CN(CCC1CCCCCC1)Cc1ccc[nH]1 ZINC000685419734 487519124 /nfs/dbraw/zinc/51/91/24/487519124.db2.gz SRJQSDCIKZXHAI-UHFFFAOYSA-N 0 3 234.387 3.807 20 0 BHADHN c1cc2cc(CN3[C@H]4C=CC[C@@H]3CC4)ccc2o1 ZINC000685420393 487519898 /nfs/dbraw/zinc/51/98/98/487519898.db2.gz BJZNGASCYXBPMC-LSDHHAIUSA-N 0 3 239.318 3.726 20 0 BHADHN CC(C)C[C@@H](C)CNCc1cc(C(C)C)no1 ZINC000685424236 487519854 /nfs/dbraw/zinc/51/98/54/487519854.db2.gz HTNYLMDTUSKEDP-GFCCVEGCSA-N 0 3 238.375 3.570 20 0 BHADHN CC(C)C[C@H](C)CNCc1cc(C(C)C)no1 ZINC000685424237 487519966 /nfs/dbraw/zinc/51/99/66/487519966.db2.gz HTNYLMDTUSKEDP-LBPRGKRZSA-N 0 3 238.375 3.570 20 0 BHADHN Cc1ccc(CN(C)C[C@@H](C)CC(C)C)nc1 ZINC000685429351 487522430 /nfs/dbraw/zinc/52/24/30/487522430.db2.gz PFIDGJUSAKIFPV-AWEZNQCLSA-N 0 3 234.387 3.504 20 0 BHADHN Cc1ccc(CN(C)C[C@H](C)CC(C)C)nc1 ZINC000685429352 487516560 /nfs/dbraw/zinc/51/65/60/487516560.db2.gz PFIDGJUSAKIFPV-CQSZACIVSA-N 0 3 234.387 3.504 20 0 BHADHN CC(C)C1CN(Cc2ccc3occc3c2)C1 ZINC000685430378 487522375 /nfs/dbraw/zinc/52/23/75/487522375.db2.gz MWEZYJOBTMVODJ-UHFFFAOYSA-N 0 3 229.323 3.521 20 0 BHADHN CC1=C(C)CN(Cc2ccc3occc3c2)CC1 ZINC000685430478 487521942 /nfs/dbraw/zinc/52/19/42/487521942.db2.gz FOYRRLYCXPTDIE-UHFFFAOYSA-N 0 3 241.334 3.975 20 0 BHADHN C[C@@H](CN1CCCC[C@@H]1c1cc[nH]n1)C(C)(C)C ZINC000685438118 487522122 /nfs/dbraw/zinc/52/21/22/487522122.db2.gz MVKDNTATWPSHNZ-GXTWGEPZSA-N 0 3 249.402 3.619 20 0 BHADHN C[C@@H](CN1CCCC[C@H]1c1cc[nH]n1)C(C)(C)C ZINC000685438119 487523374 /nfs/dbraw/zinc/52/33/74/487523374.db2.gz MVKDNTATWPSHNZ-JSGCOSHPSA-N 0 3 249.402 3.619 20 0 BHADHN C[C@H](CN1CCCC[C@H]1c1cc[nH]n1)C(C)(C)C ZINC000685438120 487523101 /nfs/dbraw/zinc/52/31/01/487523101.db2.gz MVKDNTATWPSHNZ-OCCSQVGLSA-N 0 3 249.402 3.619 20 0 BHADHN C[C@H](CN1CCCC[C@@H]1c1cc[nH]n1)C(C)(C)C ZINC000685438121 487522185 /nfs/dbraw/zinc/52/21/85/487522185.db2.gz MVKDNTATWPSHNZ-TZMCWYRMSA-N 0 3 249.402 3.619 20 0 BHADHN c1cc(CN2CCC3(CCC3)CC2)cs1 ZINC000685444158 487524250 /nfs/dbraw/zinc/52/42/50/487524250.db2.gz IGUCSMCLUGRLKZ-UHFFFAOYSA-N 0 3 221.369 3.514 20 0 BHADHN CCc1ccc(CN2CCC3(CCC3)CC2)o1 ZINC000685444206 487524672 /nfs/dbraw/zinc/52/46/72/487524672.db2.gz MHWSRKVVRRLJGN-UHFFFAOYSA-N 0 3 233.355 3.608 20 0 BHADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1cncs1 ZINC000685470441 487533905 /nfs/dbraw/zinc/53/39/05/487533905.db2.gz WSGNQTRJXIKMSY-AAEUAGOBSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1cncs1 ZINC000685470442 487533425 /nfs/dbraw/zinc/53/34/25/487533425.db2.gz WSGNQTRJXIKMSY-DGCLKSJQSA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@H]1CCCC[C@H]1N(C)Cc1cncs1 ZINC000685470443 487533998 /nfs/dbraw/zinc/53/39/98/487533998.db2.gz WSGNQTRJXIKMSY-WCQYABFASA-N 0 3 238.400 3.544 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1cncs1 ZINC000685470444 487533535 /nfs/dbraw/zinc/53/35/35/487533535.db2.gz WSGNQTRJXIKMSY-YPMHNXCESA-N 0 3 238.400 3.544 20 0 BHADHN C[C@H](CF)N[C@H](C)CC(C)(C)c1ccccc1 ZINC000685473351 488042408 /nfs/dbraw/zinc/04/24/08/488042408.db2.gz LQMOTSJSARSSII-CHWSQXEVSA-N 0 3 237.362 3.690 20 0 BHADHN C[C@H](CF)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000685473352 488042189 /nfs/dbraw/zinc/04/21/89/488042189.db2.gz LQMOTSJSARSSII-QWHCGFSZSA-N 0 3 237.362 3.690 20 0 BHADHN CC(C)C[C@@H](CN[C@H](C)CF)c1ccccc1 ZINC000685473376 487535036 /nfs/dbraw/zinc/53/50/36/487535036.db2.gz QRTYOVIOLAEHPM-HIFRSBDPSA-N 0 3 237.362 3.764 20 0 BHADHN CC(C)C[C@H](CN[C@H](C)CF)c1ccccc1 ZINC000685473377 487534907 /nfs/dbraw/zinc/53/49/07/487534907.db2.gz QRTYOVIOLAEHPM-UKRRQHHQSA-N 0 3 237.362 3.764 20 0 BHADHN CCC(CC)[N@@H+](CC)Cc1cc([O-])cc(F)c1 ZINC000685476203 487537170 /nfs/dbraw/zinc/53/71/70/487537170.db2.gz FKOWXBSWXIOWBL-UHFFFAOYSA-N 0 3 239.334 3.542 20 0 BHADHN CCC(CC)[N@H+](CC)Cc1cc([O-])cc(F)c1 ZINC000685476203 487537166 /nfs/dbraw/zinc/53/71/66/487537166.db2.gz FKOWXBSWXIOWBL-UHFFFAOYSA-N 0 3 239.334 3.542 20 0 BHADHN CCCCN(CCCC)Cc1oc(C)nc1C ZINC000685560770 487544048 /nfs/dbraw/zinc/54/40/48/487544048.db2.gz GPXZZJXMZUUMBY-UHFFFAOYSA-N 0 3 238.375 3.694 20 0 BHADHN CCC(CC)CN(CC)Cc1oc(C)nc1C ZINC000685561279 487543780 /nfs/dbraw/zinc/54/37/80/487543780.db2.gz CFCJSLCKZZCMTQ-UHFFFAOYSA-N 0 3 238.375 3.550 20 0 BHADHN Cc1nc(C)c(CN(C2CC2)C2CCCCC2)o1 ZINC000685561431 487543463 /nfs/dbraw/zinc/54/34/63/487543463.db2.gz SASKDKXHRLFNBM-UHFFFAOYSA-N 0 3 248.370 3.589 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1ccc(Cl)cn1 ZINC000685612149 487562214 /nfs/dbraw/zinc/56/22/14/487562214.db2.gz MXUULLAREWOLRM-LLVKDONJSA-N 0 3 240.778 3.746 20 0 BHADHN CCCC[C@H](C)N(C)Cc1ccc(Cl)cn1 ZINC000685612153 487562141 /nfs/dbraw/zinc/56/21/41/487562141.db2.gz MXUULLAREWOLRM-NSHDSACASA-N 0 3 240.778 3.746 20 0 BHADHN CCCCC1CCC(NCc2n[nH]cc2C)CC1 ZINC000685614021 487563811 /nfs/dbraw/zinc/56/38/11/487563811.db2.gz VVXJIMXKQHPWHE-UHFFFAOYSA-N 0 3 249.402 3.557 20 0 BHADHN Cc1c[nH]nc1CN[C@H](C)CCC1CCCCC1 ZINC000685616234 487565303 /nfs/dbraw/zinc/56/53/03/487565303.db2.gz JGTIADOACTVSCP-CYBMUJFWSA-N 0 3 249.402 3.557 20 0 BHADHN Cc1c[nH]nc1CN[C@@H](C)CCC1CCCCC1 ZINC000685616235 487566240 /nfs/dbraw/zinc/56/62/40/487566240.db2.gz JGTIADOACTVSCP-ZDUSSCGKSA-N 0 3 249.402 3.557 20 0 BHADHN CSc1ccc(CN2CCC[C@H](C)C2)s1 ZINC000685832678 487582137 /nfs/dbraw/zinc/58/21/37/487582137.db2.gz FPKJDMYNLLREIY-JTQLQIEISA-N 0 3 241.425 3.702 20 0 BHADHN CSc1ccc(CN2CCC[C@@H](C)C2)s1 ZINC000685832682 487581964 /nfs/dbraw/zinc/58/19/64/487581964.db2.gz FPKJDMYNLLREIY-SNVBAGLBSA-N 0 3 241.425 3.702 20 0 BHADHN CSc1ccc(CN(C)CCC(C)C)s1 ZINC000685833815 487582037 /nfs/dbraw/zinc/58/20/37/487582037.db2.gz NVMDCKXYWBQWFA-UHFFFAOYSA-N 0 3 243.441 3.948 20 0 BHADHN CCCCN(Cc1n[nH]cc1C)C1CCCCC1 ZINC000685834100 487582327 /nfs/dbraw/zinc/58/23/27/487582327.db2.gz MJSMGGSCLUUTCP-UHFFFAOYSA-N 0 3 249.402 3.653 20 0 BHADHN Cc1c[nH]nc1CN(CCC(C)C)C1CCCC1 ZINC000685834145 487583392 /nfs/dbraw/zinc/58/33/92/487583392.db2.gz XJIHDHRNZJJQQQ-UHFFFAOYSA-N 0 3 249.402 3.509 20 0 BHADHN CCCN(Cc1n[nH]cc1C)CC1CCCCC1 ZINC000685834586 487584143 /nfs/dbraw/zinc/58/41/43/487584143.db2.gz DHPGBCKYYXOEIW-UHFFFAOYSA-N 0 3 249.402 3.510 20 0 BHADHN CSc1ccc(CN2CCCC2(C)C)s1 ZINC000685835819 487583724 /nfs/dbraw/zinc/58/37/24/487583724.db2.gz QTYZCWDWGWSMSZ-UHFFFAOYSA-N 0 3 241.425 3.844 20 0 BHADHN CSc1ccc(CN2C[C@H](C)[C@H](C)C2)s1 ZINC000685837776 487584162 /nfs/dbraw/zinc/58/41/62/487584162.db2.gz VYBFLYBBJKJSHV-AOOOYVTPSA-N 0 3 241.425 3.558 20 0 BHADHN CSc1ccc(CN2C[C@@H](C)[C@H](C)C2)s1 ZINC000685837777 487583412 /nfs/dbraw/zinc/58/34/12/487583412.db2.gz VYBFLYBBJKJSHV-NXEZZACHSA-N 0 3 241.425 3.558 20 0 BHADHN CSc1ccc(CN2C[C@H](C)[C@@H](C)C2)s1 ZINC000685837778 487583600 /nfs/dbraw/zinc/58/36/00/487583600.db2.gz VYBFLYBBJKJSHV-UWVGGRQHSA-N 0 3 241.425 3.558 20 0 BHADHN CC[C@H]1CCN(Cc2ccc(SC)s2)C1 ZINC000685838813 487584286 /nfs/dbraw/zinc/58/42/86/487584286.db2.gz HTBKZMWYZMILDG-JTQLQIEISA-N 0 3 241.425 3.702 20 0 BHADHN CC[C@@H]1CCN(Cc2ccc(SC)s2)C1 ZINC000685838814 487583518 /nfs/dbraw/zinc/58/35/18/487583518.db2.gz HTBKZMWYZMILDG-SNVBAGLBSA-N 0 3 241.425 3.702 20 0 BHADHN Cc1c[nH]nc1CN1CCCC[C@H]1CCC(C)C ZINC000685838952 487585296 /nfs/dbraw/zinc/58/52/96/487585296.db2.gz ZOEMVDZWQCHMFP-AWEZNQCLSA-N 0 3 249.402 3.509 20 0 BHADHN Cc1c[nH]nc1CN1CCCC[C@@H]1CCC(C)C ZINC000685838953 487584987 /nfs/dbraw/zinc/58/49/87/487584987.db2.gz ZOEMVDZWQCHMFP-CQSZACIVSA-N 0 3 249.402 3.509 20 0 BHADHN CCCC1CCC(N(C)Cc2n[nH]cc2C)CC1 ZINC000685844679 487587153 /nfs/dbraw/zinc/58/71/53/487587153.db2.gz UKGMFCBFKGFNNN-UHFFFAOYSA-N 0 3 249.402 3.509 20 0 BHADHN Cc1ccc(CN2CC(C)(C)[C@H]2C2CC2)s1 ZINC000685849946 487587903 /nfs/dbraw/zinc/58/79/03/487587903.db2.gz UAJRNBZNEIKODK-CYBMUJFWSA-N 0 3 235.396 3.677 20 0 BHADHN Cc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)s1 ZINC000685849947 487587891 /nfs/dbraw/zinc/58/78/91/487587891.db2.gz UAJRNBZNEIKODK-ZDUSSCGKSA-N 0 3 235.396 3.677 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1n[nH]c2ccccc21 ZINC000685852453 487589159 /nfs/dbraw/zinc/58/91/59/487589159.db2.gz WSVGVLDAWWJDAG-GFCCVEGCSA-N 0 3 245.370 3.573 20 0 BHADHN CCCC[C@H](C)N(C)Cc1n[nH]c2ccccc21 ZINC000685852454 487589797 /nfs/dbraw/zinc/58/97/97/487589797.db2.gz WSVGVLDAWWJDAG-LBPRGKRZSA-N 0 3 245.370 3.573 20 0 BHADHN Cc1ccc2nccc(N3CCC4(CC4)C3)c2c1 ZINC000685918197 487596747 /nfs/dbraw/zinc/59/67/47/487596747.db2.gz HATUZKCRZZDXPX-UHFFFAOYSA-N 0 3 238.334 3.534 20 0 BHADHN Cc1cc(N2CCC3(CC3)C2)c2ccccc2n1 ZINC000685919002 487597691 /nfs/dbraw/zinc/59/76/91/487597691.db2.gz VOKUNRCXTQHOEE-UHFFFAOYSA-N 0 3 238.334 3.534 20 0 BHADHN C[C@@H](N[C@@H]1C=CCC1)c1ccccc1Cl ZINC000700487916 711994680 /nfs/dbraw/zinc/99/46/80/711994680.db2.gz BAPHFHJCMKYVNT-GHMZBOCLSA-N 0 3 221.731 3.709 20 0 BHADHN C[C@@H](N[C@H]1C=CCC1)c1ccccc1Cl ZINC000700487917 711994506 /nfs/dbraw/zinc/99/45/06/711994506.db2.gz BAPHFHJCMKYVNT-MNOVXSKESA-N 0 3 221.731 3.709 20 0 BHADHN C[C@H](N[C@H]1C=CCC1)c1ccccc1Cl ZINC000700487918 711994765 /nfs/dbraw/zinc/99/47/65/711994765.db2.gz BAPHFHJCMKYVNT-QWRGUYRKSA-N 0 3 221.731 3.709 20 0 BHADHN C[C@H](N[C@@H]1C=CCC1)c1ccccc1Cl ZINC000700487919 711994686 /nfs/dbraw/zinc/99/46/86/711994686.db2.gz BAPHFHJCMKYVNT-WDEREUQCSA-N 0 3 221.731 3.709 20 0 BHADHN Cc1ncc(CNCCCCCCC(C)C)o1 ZINC000700843128 712008307 /nfs/dbraw/zinc/00/83/07/712008307.db2.gz ZVCPICRTWPMIHH-UHFFFAOYSA-N 0 3 238.375 3.679 20 0 BHADHN CCC(CC)(CNCc1ccco1)C(F)(F)F ZINC000701959618 712033151 /nfs/dbraw/zinc/03/31/51/712033151.db2.gz FVJDNQTXUKGNHO-UHFFFAOYSA-N 0 3 249.276 3.738 20 0 BHADHN Cc1csc([C@H](C)NC[C@]2(C)CC2(C)C)n1 ZINC000701973068 712033840 /nfs/dbraw/zinc/03/38/40/712033840.db2.gz YPXQCZRAYSEYJV-GWCFXTLKSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@H](C)NC[C@@]2(C)CC2(C)C)n1 ZINC000701973069 712033712 /nfs/dbraw/zinc/03/37/12/712033712.db2.gz YPXQCZRAYSEYJV-GXFFZTMASA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@@H](C)NC[C@]2(C)CC2(C)C)n1 ZINC000701973070 712033738 /nfs/dbraw/zinc/03/37/38/712033738.db2.gz YPXQCZRAYSEYJV-MFKMUULPSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@@H](C)NC[C@@]2(C)CC2(C)C)n1 ZINC000701973072 712033700 /nfs/dbraw/zinc/03/37/00/712033700.db2.gz YPXQCZRAYSEYJV-ZWNOBZJWSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@@H](C)NC[C@@]2(C)CC2(C)C)cs1 ZINC000701989847 712035385 /nfs/dbraw/zinc/03/53/85/712035385.db2.gz ZJMCEPGPNHPYBT-NOZJJQNGSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@@H](C)NC[C@]2(C)CC2(C)C)cs1 ZINC000701989849 712035340 /nfs/dbraw/zinc/03/53/40/712035340.db2.gz ZJMCEPGPNHPYBT-RNCFNFMXSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@H](C)NC[C@@]2(C)CC2(C)C)cs1 ZINC000701989851 712035281 /nfs/dbraw/zinc/03/52/81/712035281.db2.gz ZJMCEPGPNHPYBT-TVQRCGJNSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@H](C)NC[C@]2(C)CC2(C)C)cs1 ZINC000701989853 712035205 /nfs/dbraw/zinc/03/52/05/712035205.db2.gz ZJMCEPGPNHPYBT-ZANVPECISA-N 0 3 238.400 3.538 20 0 BHADHN FC(F)(F)c1cc(CN[C@@H]2C=CCC2)cs1 ZINC000703366551 712073888 /nfs/dbraw/zinc/07/38/88/712073888.db2.gz YUSAZABVAORIFX-SECBINFHSA-N 0 3 247.285 3.575 20 0 BHADHN FC(F)(F)c1cc(CN[C@H]2C=CCC2)cs1 ZINC000703366553 712073727 /nfs/dbraw/zinc/07/37/27/712073727.db2.gz YUSAZABVAORIFX-VIFPVBQESA-N 0 3 247.285 3.575 20 0 BHADHN Cc1csc([C@@H](C)NCCCCC(C)C)n1 ZINC000703986602 712098338 /nfs/dbraw/zinc/09/83/38/712098338.db2.gz HGQUFNQTCUTTOL-GFCCVEGCSA-N 0 3 240.416 3.928 20 0 BHADHN Cc1csc([C@H](C)NCCCCC(C)C)n1 ZINC000703986604 712098109 /nfs/dbraw/zinc/09/81/09/712098109.db2.gz HGQUFNQTCUTTOL-LBPRGKRZSA-N 0 3 240.416 3.928 20 0 BHADHN FC(F)(F)c1sccc1CN[C@@H]1C=CCC1 ZINC000704361244 712104862 /nfs/dbraw/zinc/10/48/62/712104862.db2.gz ZMQIFLLFADICGF-SECBINFHSA-N 0 3 247.285 3.575 20 0 BHADHN FC(F)(F)c1sccc1CN[C@H]1C=CCC1 ZINC000704361245 712105130 /nfs/dbraw/zinc/10/51/30/712105130.db2.gz ZMQIFLLFADICGF-VIFPVBQESA-N 0 3 247.285 3.575 20 0 BHADHN CCC(C)(C)[C@H](C)NC/C(Cl)=C\Cl ZINC000710062601 712244126 /nfs/dbraw/zinc/24/41/26/712244126.db2.gz DRLLMNPAHWXUNY-CYXIBPNKSA-N 0 3 224.175 3.720 20 0 BHADHN CCC(C)(C)[C@@H](C)NC/C(Cl)=C\Cl ZINC000710062602 712244229 /nfs/dbraw/zinc/24/42/29/712244229.db2.gz DRLLMNPAHWXUNY-GTUWVTDSSA-N 0 3 224.175 3.720 20 0 BHADHN CCC(C)(C)[C@H](C)NC/C(Cl)=C/Cl ZINC000710062603 712244337 /nfs/dbraw/zinc/24/43/37/712244337.db2.gz DRLLMNPAHWXUNY-HWPCKVLBSA-N 0 3 224.175 3.720 20 0 BHADHN CCC(C)(C)[C@@H](C)NC/C(Cl)=C/Cl ZINC000710062604 712244266 /nfs/dbraw/zinc/24/42/66/712244266.db2.gz DRLLMNPAHWXUNY-WSQKDGNHSA-N 0 3 224.175 3.720 20 0 BHADHN CCCCCC[C@@H](C)NCc1nccn1C1CC1 ZINC000711753937 712324754 /nfs/dbraw/zinc/32/47/54/712324754.db2.gz BQYHRTWTYHGDTG-CYBMUJFWSA-N 0 3 249.402 3.667 20 0 BHADHN CCCCCC[C@H](C)NCc1nccn1C1CC1 ZINC000711753938 712324749 /nfs/dbraw/zinc/32/47/49/712324749.db2.gz BQYHRTWTYHGDTG-ZDUSSCGKSA-N 0 3 249.402 3.667 20 0 BHADHN CC(C)CCC[C@@H](C)NCc1nccn1C1CC1 ZINC000711758285 712325125 /nfs/dbraw/zinc/32/51/25/712325125.db2.gz UGUOUUHASVSTIV-CYBMUJFWSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)CCC[C@H](C)NCc1nccn1C1CC1 ZINC000711758287 712324886 /nfs/dbraw/zinc/32/48/86/712324886.db2.gz UGUOUUHASVSTIV-ZDUSSCGKSA-N 0 3 249.402 3.522 20 0 BHADHN C[C@H](CCC(C)(C)C)NCc1nccn1C1CC1 ZINC000711774009 712328894 /nfs/dbraw/zinc/32/88/94/712328894.db2.gz WFLIGTHXXZXFOA-GFCCVEGCSA-N 0 3 249.402 3.522 20 0 BHADHN C[C@@H](CCC(C)(C)C)NCc1nccn1C1CC1 ZINC000711774012 712328745 /nfs/dbraw/zinc/32/87/45/712328745.db2.gz WFLIGTHXXZXFOA-LBPRGKRZSA-N 0 3 249.402 3.522 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1scnc1Cl ZINC000713462310 712460888 /nfs/dbraw/zinc/46/08/88/712460888.db2.gz XSFOYOAAJXFSFQ-MRVPVSSYSA-N 0 3 246.807 3.711 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1scnc1Cl ZINC000713462311 712460766 /nfs/dbraw/zinc/46/07/66/712460766.db2.gz XSFOYOAAJXFSFQ-QMMMGPOBSA-N 0 3 246.807 3.711 20 0 BHADHN C=C/C=C/CCN[C@@H](C)c1nc(C)sc1C ZINC000713497257 712462900 /nfs/dbraw/zinc/46/29/00/712462900.db2.gz XEVCKQOBSMIACX-FGEFZZPRSA-N 0 3 236.384 3.543 20 0 BHADHN C=C/C=C\CCN[C@@H](C)c1nc(C)sc1C ZINC000713497258 712463033 /nfs/dbraw/zinc/46/30/33/712463033.db2.gz XEVCKQOBSMIACX-GFVADAIESA-N 0 3 236.384 3.543 20 0 BHADHN C=C/C=C\CCN[C@H](C)c1nc(C)sc1C ZINC000713497259 712462999 /nfs/dbraw/zinc/46/29/99/712462999.db2.gz XEVCKQOBSMIACX-JYESYGNLSA-N 0 3 236.384 3.543 20 0 BHADHN C=C/C=C/CCN[C@H](C)c1nc(C)sc1C ZINC000713497260 712463055 /nfs/dbraw/zinc/46/30/55/712463055.db2.gz XEVCKQOBSMIACX-VQCYPWCPSA-N 0 3 236.384 3.543 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccns1)c1ccccc1 ZINC000715925630 712543375 /nfs/dbraw/zinc/54/33/75/712543375.db2.gz FCRLRJPFTPOGMO-AAEUAGOBSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccns1)c1ccccc1 ZINC000715925631 712543043 /nfs/dbraw/zinc/54/30/43/712543043.db2.gz FCRLRJPFTPOGMO-DGCLKSJQSA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccns1)c1ccccc1 ZINC000715925633 712543367 /nfs/dbraw/zinc/54/33/67/712543367.db2.gz FCRLRJPFTPOGMO-WCQYABFASA-N 0 3 246.379 3.945 20 0 BHADHN CC[C@H](N[C@H](C)c1ccns1)c1ccccc1 ZINC000715925635 712543396 /nfs/dbraw/zinc/54/33/96/712543396.db2.gz FCRLRJPFTPOGMO-YPMHNXCESA-N 0 3 246.379 3.945 20 0 BHADHN C[C@@H](N[C@H]1C=CCCCCC1)c1ccns1 ZINC000715992345 712551296 /nfs/dbraw/zinc/55/12/96/712551296.db2.gz RCAGVFWZMLAYRI-NEPJUHHUSA-N 0 3 236.384 3.683 20 0 BHADHN C[C@H](N[C@@H]1C=CCCCCC1)c1ccns1 ZINC000715992347 712551464 /nfs/dbraw/zinc/55/14/64/712551464.db2.gz RCAGVFWZMLAYRI-NWDGAFQWSA-N 0 3 236.384 3.683 20 0 BHADHN C[C@H](N[C@H]1C=CCCCCC1)c1ccns1 ZINC000715992349 712551282 /nfs/dbraw/zinc/55/12/82/712551282.db2.gz RCAGVFWZMLAYRI-RYUDHWBXSA-N 0 3 236.384 3.683 20 0 BHADHN C[C@@H](N[C@@H]1C=CCCCCC1)c1ccns1 ZINC000715992351 712551377 /nfs/dbraw/zinc/55/13/77/712551377.db2.gz RCAGVFWZMLAYRI-VXGBXAGGSA-N 0 3 236.384 3.683 20 0 BHADHN Cc1nc([C@H](C)NCCCCC2CC2)cs1 ZINC000716330072 712554975 /nfs/dbraw/zinc/55/49/75/712554975.db2.gz DXKLRVYXLCYTTH-JTQLQIEISA-N 0 3 238.400 3.682 20 0 BHADHN Cc1nc([C@@H](C)NCCCCC2CC2)cs1 ZINC000716330075 712555019 /nfs/dbraw/zinc/55/50/19/712555019.db2.gz DXKLRVYXLCYTTH-SNVBAGLBSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1csc([C@@H](C)NCCCCC2CC2)n1 ZINC000716396026 712558084 /nfs/dbraw/zinc/55/80/84/712558084.db2.gz BKXJPOMPWWNFMY-LLVKDONJSA-N 0 3 238.400 3.682 20 0 BHADHN Cc1csc([C@H](C)NCCCCC2CC2)n1 ZINC000716396028 712557983 /nfs/dbraw/zinc/55/79/83/712557983.db2.gz BKXJPOMPWWNFMY-NSHDSACASA-N 0 3 238.400 3.682 20 0 BHADHN Cc1coc(CNC[C@H]2CCCCC2(F)F)c1 ZINC000718037238 712737481 /nfs/dbraw/zinc/73/74/81/712737481.db2.gz XCQGFEKAXYLMGU-LLVKDONJSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1coc(CNC[C@@H]2CCCCC2(F)F)c1 ZINC000718037239 712737458 /nfs/dbraw/zinc/73/74/58/712737458.db2.gz XCQGFEKAXYLMGU-NSHDSACASA-N 0 3 243.297 3.503 20 0 BHADHN c1sc(C2CC2)nc1CNC1CCC=CCC1 ZINC000718076896 712741215 /nfs/dbraw/zinc/74/12/15/712741215.db2.gz HBTRTRWJTPXYJO-UHFFFAOYSA-N 0 3 248.395 3.609 20 0 BHADHN Cc1conc1CN[C@H]1CCCCC12CCCC2 ZINC000720345584 712832081 /nfs/dbraw/zinc/83/20/81/712832081.db2.gz QWWICAPZIKUFKS-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1conc1CN[C@@H]1CCCCC12CCCC2 ZINC000720345585 712832068 /nfs/dbraw/zinc/83/20/68/712832068.db2.gz QWWICAPZIKUFKS-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1conc1CN[C@H]1CCCC12CCCCC2 ZINC000720369820 712836228 /nfs/dbraw/zinc/83/62/28/712836228.db2.gz OGOBKXFLJCZYHN-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1conc1CN[C@@H]1CCCC12CCCCC2 ZINC000720369822 712836285 /nfs/dbraw/zinc/83/62/85/712836285.db2.gz OGOBKXFLJCZYHN-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN CN(Cc1cnc(Cl)s1)C1(C)CCCC1 ZINC000720378252 712837388 /nfs/dbraw/zinc/83/73/88/712837388.db2.gz FMOVFHRKOGRXCG-UHFFFAOYSA-N 0 3 244.791 3.561 20 0 BHADHN CC[C@H](CC1CCCCC1)NCc1cocn1 ZINC000720951693 712882403 /nfs/dbraw/zinc/88/24/03/712882403.db2.gz ACWINPWZDVJMNX-CYBMUJFWSA-N 0 3 236.359 3.513 20 0 BHADHN CC[C@@H](CC1CCCCC1)NCc1cocn1 ZINC000720951696 712882475 /nfs/dbraw/zinc/88/24/75/712882475.db2.gz ACWINPWZDVJMNX-ZDUSSCGKSA-N 0 3 236.359 3.513 20 0 BHADHN CC1(NCc2cccc(Cl)c2)CC(F)(F)C1 ZINC000720959494 712882629 /nfs/dbraw/zinc/88/26/29/712882629.db2.gz BVMVNNVCNPPQNJ-UHFFFAOYSA-N 0 3 245.700 3.617 20 0 BHADHN CC1(NCc2ccc(Cl)cc2)CC(F)(F)C1 ZINC000720966221 712883896 /nfs/dbraw/zinc/88/38/96/712883896.db2.gz YFPFTELTYZEFKQ-UHFFFAOYSA-N 0 3 245.700 3.617 20 0 BHADHN Cc1ccccc1[C@@H]1CCN(C/C=C/Cl)C1 ZINC000726071127 583327455 /nfs/dbraw/zinc/32/74/55/583327455.db2.gz JPGXQXDYHMOKPE-FLUIGGAXSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1ccccc1[C@H]1CCN(C/C=C/Cl)C1 ZINC000726071396 583327777 /nfs/dbraw/zinc/32/77/77/583327777.db2.gz JPGXQXDYHMOKPE-GBVBUYCNSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1ccccc1[C@@H]1CCN(C/C=C\Cl)C1 ZINC000726071399 583327834 /nfs/dbraw/zinc/32/78/34/583327834.db2.gz JPGXQXDYHMOKPE-IBSXUBTNSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1ccccc1[C@H]1CCN(C/C=C\Cl)C1 ZINC000726071402 583327770 /nfs/dbraw/zinc/32/77/70/583327770.db2.gz JPGXQXDYHMOKPE-UKOWJOKBSA-N 0 3 235.758 3.537 20 0 BHADHN CN(C/C=C\Cl)CCC1CCCCC1 ZINC000726072310 583334801 /nfs/dbraw/zinc/33/48/01/583334801.db2.gz PMMLVZWJLFJGTM-UITAMQMPSA-N 0 3 215.768 3.641 20 0 BHADHN CN(C/C=C/Cl)CCC1CCCCC1 ZINC000726072313 583334380 /nfs/dbraw/zinc/33/43/80/583334380.db2.gz PMMLVZWJLFJGTM-WEVVVXLNSA-N 0 3 215.768 3.641 20 0 BHADHN Cl/C=C/CN1CCC2(CCCCC2)CC1 ZINC000726693231 583368409 /nfs/dbraw/zinc/36/84/09/583368409.db2.gz XVXBBVIRWHSQQO-RUDMXATFSA-N 0 3 227.779 3.785 20 0 BHADHN Cl/C=C\CN1CCC2(CCCCC2)CC1 ZINC000726693232 583368242 /nfs/dbraw/zinc/36/82/42/583368242.db2.gz XVXBBVIRWHSQQO-WTKPLQERSA-N 0 3 227.779 3.785 20 0 BHADHN C[C@@H]1C[C@H](C)CN(Cc2ccc(Cl)s2)C1 ZINC000726874663 583379958 /nfs/dbraw/zinc/37/99/58/583379958.db2.gz MIMGHAZEVLBDRH-AOOOYVTPSA-N 0 3 243.803 3.879 20 0 BHADHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(Cl)s2)C1 ZINC000726874665 583380423 /nfs/dbraw/zinc/38/04/23/583380423.db2.gz MIMGHAZEVLBDRH-NXEZZACHSA-N 0 3 243.803 3.879 20 0 BHADHN C[C@H]1C[C@H](C)CN(Cc2ccc(Cl)s2)C1 ZINC000726874666 583380061 /nfs/dbraw/zinc/38/00/61/583380061.db2.gz MIMGHAZEVLBDRH-UWVGGRQHSA-N 0 3 243.803 3.879 20 0 BHADHN Cl/C=C\CN1CCCC[C@@H]1Cc1ccccc1 ZINC000727222054 583623691 /nfs/dbraw/zinc/62/36/91/583623691.db2.gz FKEHKAGNLAYJFR-IZIDJEDMSA-N 0 3 249.785 3.836 20 0 BHADHN Cl/C=C\CN1CCCC[C@H]1Cc1ccccc1 ZINC000727222055 583623365 /nfs/dbraw/zinc/62/33/65/583623365.db2.gz FKEHKAGNLAYJFR-MLBQELRYSA-N 0 3 249.785 3.836 20 0 BHADHN Cl/C=C/CN1CCCC[C@@H]1Cc1ccccc1 ZINC000727222056 583623587 /nfs/dbraw/zinc/62/35/87/583623587.db2.gz FKEHKAGNLAYJFR-WCLQSUPFSA-N 0 3 249.785 3.836 20 0 BHADHN Cl/C=C/CN1CCCC[C@H]1Cc1ccccc1 ZINC000727222057 583623712 /nfs/dbraw/zinc/62/37/12/583623712.db2.gz FKEHKAGNLAYJFR-WGPYJDKQSA-N 0 3 249.785 3.836 20 0 BHADHN CCN(Cc1cc(Cl)nc(Cl)c1)C(C)C ZINC000727433966 583650771 /nfs/dbraw/zinc/65/07/71/583650771.db2.gz GZXGFNAIOGOPES-UHFFFAOYSA-N 0 3 247.169 3.619 20 0 BHADHN c1cc(CNCCCSc2ccccc2)co1 ZINC000727463751 583655377 /nfs/dbraw/zinc/65/53/77/583655377.db2.gz FQYSCPSPTJVYDJ-UHFFFAOYSA-N 0 3 247.363 3.552 20 0 BHADHN Cc1ccc(CCCNCc2ccoc2)c(C)c1 ZINC000727464095 583655616 /nfs/dbraw/zinc/65/56/16/583655616.db2.gz MMRJYKFRKMXIEY-UHFFFAOYSA-N 0 3 243.350 3.619 20 0 BHADHN CC[C@@H]1CCCC[C@H]1NCc1coc(C2CC2)n1 ZINC000727466361 583655449 /nfs/dbraw/zinc/65/54/49/583655449.db2.gz LMUYRVNGTSJUFU-BXUZGUMPSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H]1CCCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000727466362 583655773 /nfs/dbraw/zinc/65/57/73/583655773.db2.gz LMUYRVNGTSJUFU-FZMZJTMJSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H]1CCCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000727466363 583655301 /nfs/dbraw/zinc/65/53/01/583655301.db2.gz LMUYRVNGTSJUFU-RISCZKNCSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@H]1CCCC[C@H]1NCc1coc(C2CC2)n1 ZINC000727466364 583655436 /nfs/dbraw/zinc/65/54/36/583655436.db2.gz LMUYRVNGTSJUFU-SMDDNHRTSA-N 0 3 248.370 3.610 20 0 BHADHN Cc1cc(C)c(CCNCc2ccoc2)c(C)c1 ZINC000727466682 583655737 /nfs/dbraw/zinc/65/57/37/583655737.db2.gz BVNFCTVAKNWRGP-UHFFFAOYSA-N 0 3 243.350 3.537 20 0 BHADHN Cc1cccc(C(C)(C)CNCc2ccoc2)c1 ZINC000727468660 583657166 /nfs/dbraw/zinc/65/71/66/583657166.db2.gz LDHAZKUDFNJFBI-UHFFFAOYSA-N 0 3 243.350 3.655 20 0 BHADHN Cc1ccccc1C(C)(C)CNCc1ccoc1 ZINC000727470877 583656925 /nfs/dbraw/zinc/65/69/25/583656925.db2.gz QCUZBRPVZAMLCT-UHFFFAOYSA-N 0 3 243.350 3.655 20 0 BHADHN c1cc(CNCCCCCc2ccccc2)co1 ZINC000727837733 583782710 /nfs/dbraw/zinc/78/27/10/583782710.db2.gz UOXDNRRENFFMED-UHFFFAOYSA-N 0 3 243.350 3.782 20 0 BHADHN CCN1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728061724 583847094 /nfs/dbraw/zinc/84/70/94/583847094.db2.gz YWPGLZWHDOCEGV-GFCCVEGCSA-N 0 3 243.272 3.862 20 0 BHADHN CCN1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728061725 583847131 /nfs/dbraw/zinc/84/71/31/583847131.db2.gz YWPGLZWHDOCEGV-LBPRGKRZSA-N 0 3 243.272 3.862 20 0 BHADHN CC[C@H](C)[C@@H](C)N(C/C=C\Cl)C1CC1 ZINC000729544687 584017878 /nfs/dbraw/zinc/01/78/78/584017878.db2.gz LAWXWZCDMPYDQJ-CGBBGSNDSA-N 0 3 215.768 3.638 20 0 BHADHN CC[C@H](C)[C@@H](C)N(C/C=C/Cl)C1CC1 ZINC000729544688 584018149 /nfs/dbraw/zinc/01/81/49/584018149.db2.gz LAWXWZCDMPYDQJ-DBWQMSJVSA-N 0 3 215.768 3.638 20 0 BHADHN CC[C@H](C)[C@H](C)N(C/C=C/Cl)C1CC1 ZINC000729544690 584017690 /nfs/dbraw/zinc/01/76/90/584017690.db2.gz LAWXWZCDMPYDQJ-VAZREYJMSA-N 0 3 215.768 3.638 20 0 BHADHN CC[C@H](C)[C@H](C)N(C/C=C\Cl)C1CC1 ZINC000729544692 584017959 /nfs/dbraw/zinc/01/79/59/584017959.db2.gz LAWXWZCDMPYDQJ-ZSDATDQRSA-N 0 3 215.768 3.638 20 0 BHADHN Clc1cccc(CCCNCc2ccoc2)c1 ZINC000729683440 584022761 /nfs/dbraw/zinc/02/27/61/584022761.db2.gz NNRUOVXLZQSBPS-UHFFFAOYSA-N 0 3 249.741 3.655 20 0 BHADHN Clc1ccc(CCCNCc2ccoc2)cc1 ZINC000729683995 584022557 /nfs/dbraw/zinc/02/25/57/584022557.db2.gz CBYGIJQCELKDSJ-UHFFFAOYSA-N 0 3 249.741 3.655 20 0 BHADHN Cl/C=C/CN1CCC[C@@H](Cc2ccccc2)C1 ZINC000730062798 584119962 /nfs/dbraw/zinc/11/99/62/584119962.db2.gz SRGAWXQTQHAOMS-BOSPYUDASA-N 0 3 249.785 3.694 20 0 BHADHN Cl/C=C/CN1CCC[C@H](Cc2ccccc2)C1 ZINC000730062800 584120000 /nfs/dbraw/zinc/12/00/00/584120000.db2.gz SRGAWXQTQHAOMS-FUVBFXSKSA-N 0 3 249.785 3.694 20 0 BHADHN Cl/C=C\CN1CCC[C@H](Cc2ccccc2)C1 ZINC000730062802 584119930 /nfs/dbraw/zinc/11/99/30/584119930.db2.gz SRGAWXQTQHAOMS-HMZQOCAUSA-N 0 3 249.785 3.694 20 0 BHADHN Cl/C=C\CN1CCC[C@@H](Cc2ccccc2)C1 ZINC000730062804 584119727 /nfs/dbraw/zinc/11/97/27/584119727.db2.gz SRGAWXQTQHAOMS-ZHMISCPASA-N 0 3 249.785 3.694 20 0 BHADHN Cc1ccccc1C1CCN(C/C=C/Cl)CC1 ZINC000730378507 584910320 /nfs/dbraw/zinc/91/03/20/584910320.db2.gz QGIYLQFHLLMOSK-RUDMXATFSA-N 0 3 249.785 3.927 20 0 BHADHN Cc1ccccc1C1CCN(C/C=C\Cl)CC1 ZINC000730378509 584910256 /nfs/dbraw/zinc/91/02/56/584910256.db2.gz QGIYLQFHLLMOSK-WTKPLQERSA-N 0 3 249.785 3.927 20 0 BHADHN CC[C@](C)(NCc1ccoc1)c1ccccc1 ZINC000730817693 584916810 /nfs/dbraw/zinc/91/68/10/584916810.db2.gz RSYMCNREJJDDCJ-HNNXBMFYSA-N 0 3 229.323 3.695 20 0 BHADHN CC[C@@](C)(NCc1ccoc1)c1ccccc1 ZINC000730817694 584916848 /nfs/dbraw/zinc/91/68/48/584916848.db2.gz RSYMCNREJJDDCJ-OAHLLOKOSA-N 0 3 229.323 3.695 20 0 BHADHN CC(C)(N[C@H]1C=CCCC1)c1ccc(F)cc1 ZINC000731213264 584923747 /nfs/dbraw/zinc/92/37/47/584923747.db2.gz MPWQOMSWUPFXMN-AWEZNQCLSA-N 0 3 233.330 3.759 20 0 BHADHN CC(C)(N[C@@H]1C=CCCC1)c1ccc(F)cc1 ZINC000731213265 584923566 /nfs/dbraw/zinc/92/35/66/584923566.db2.gz MPWQOMSWUPFXMN-CQSZACIVSA-N 0 3 233.330 3.759 20 0 BHADHN Cc1ccc(C[C@H](C)NCc2ccoc2)c(C)c1 ZINC000731218069 584923348 /nfs/dbraw/zinc/92/33/48/584923348.db2.gz SLHOWAGGKCMKKC-AWEZNQCLSA-N 0 3 243.350 3.617 20 0 BHADHN Cc1ccc(C[C@@H](C)NCc2ccoc2)c(C)c1 ZINC000731218070 584923402 /nfs/dbraw/zinc/92/34/02/584923402.db2.gz SLHOWAGGKCMKKC-CQSZACIVSA-N 0 3 243.350 3.617 20 0 BHADHN CCCCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000732208888 584934850 /nfs/dbraw/zinc/93/48/50/584934850.db2.gz GJZRNUKUCBUHHX-FMKPAKJESA-N 0 3 247.382 3.637 20 0 BHADHN CCCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000732208889 584934760 /nfs/dbraw/zinc/93/47/60/584934760.db2.gz GJZRNUKUCBUHHX-IIAWOOMASA-N 0 3 247.382 3.637 20 0 BHADHN CCCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000732208890 584934796 /nfs/dbraw/zinc/93/47/96/584934796.db2.gz GJZRNUKUCBUHHX-IJEWVQPXSA-N 0 3 247.382 3.637 20 0 BHADHN CCCCN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000732208891 584934585 /nfs/dbraw/zinc/93/45/85/584934585.db2.gz GJZRNUKUCBUHHX-YCPHGPKFSA-N 0 3 247.382 3.637 20 0 BHADHN Cl/C=C\CN1CCCC2(CCCCC2)C1 ZINC000732411889 584936990 /nfs/dbraw/zinc/93/69/90/584936990.db2.gz CGBAWNPKFNQGQI-UITAMQMPSA-N 0 3 227.779 3.785 20 0 BHADHN Cl/C=C/CN1CCCC2(CCCCC2)C1 ZINC000732411890 584936894 /nfs/dbraw/zinc/93/68/94/584936894.db2.gz CGBAWNPKFNQGQI-WEVVVXLNSA-N 0 3 227.779 3.785 20 0 BHADHN CCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732987314 641883257 /nfs/dbraw/zinc/88/32/57/641883257.db2.gz UGUBWZHILCDZRE-CYBMUJFWSA-N 0 3 225.282 3.512 20 0 BHADHN CCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732987315 641882558 /nfs/dbraw/zinc/88/25/58/641882558.db2.gz UGUBWZHILCDZRE-ZDUSSCGKSA-N 0 3 225.282 3.512 20 0 BHADHN CCCN(Cc1ncc(C(C)C)o1)CC(C)C ZINC000733308211 584946951 /nfs/dbraw/zinc/94/69/51/584946951.db2.gz HWBKLCGSPPISKT-UHFFFAOYSA-N 0 3 238.375 3.666 20 0 BHADHN CC(C)CN(Cc1ncc(C(C)C)o1)C(C)C ZINC000733308386 584946686 /nfs/dbraw/zinc/94/66/86/584946686.db2.gz ZBWGAVWMLLIUOA-UHFFFAOYSA-N 0 3 238.375 3.664 20 0 BHADHN CC(C)c1cnc(CN2CCC[C@@H]2C2CCC2)o1 ZINC000733309300 584946851 /nfs/dbraw/zinc/94/68/51/584946851.db2.gz IWLMNQRPBWKAHR-CYBMUJFWSA-N 0 3 248.370 3.563 20 0 BHADHN CC(C)c1cnc(CN2CCC[C@H]2C2CCC2)o1 ZINC000733309301 584946697 /nfs/dbraw/zinc/94/66/97/584946697.db2.gz IWLMNQRPBWKAHR-ZDUSSCGKSA-N 0 3 248.370 3.563 20 0 BHADHN Cc1ccc(C[C@H]2CCCN2C/C=C\Cl)cc1 ZINC000733614356 584951325 /nfs/dbraw/zinc/95/13/25/584951325.db2.gz NTSDVMCBVUYRSI-ACRUDFBXSA-N 0 3 249.785 3.754 20 0 BHADHN Cc1ccc(C[C@@H]2CCCN2C/C=C/Cl)cc1 ZINC000733614392 584951321 /nfs/dbraw/zinc/95/13/21/584951321.db2.gz NTSDVMCBVUYRSI-RUFWOKOUSA-N 0 3 249.785 3.754 20 0 BHADHN Cc1ccc(C[C@H]2CCCN2C/C=C/Cl)cc1 ZINC000733614394 584951313 /nfs/dbraw/zinc/95/13/13/584951313.db2.gz NTSDVMCBVUYRSI-RUGXIKGKSA-N 0 3 249.785 3.754 20 0 BHADHN Cc1ccc(C[C@@H]2CCCN2C/C=C\Cl)cc1 ZINC000733614395 584951356 /nfs/dbraw/zinc/95/13/56/584951356.db2.gz NTSDVMCBVUYRSI-YHTRPRNISA-N 0 3 249.785 3.754 20 0 BHADHN C[C@@]1(c2ccccc2)CCCN(C/C=C\Cl)C1 ZINC000733614737 584951396 /nfs/dbraw/zinc/95/13/96/584951396.db2.gz XYAJKLKZIVRVMC-IZIDJEDMSA-N 0 3 249.785 3.793 20 0 BHADHN C[C@]1(c2ccccc2)CCCN(C/C=C\Cl)C1 ZINC000733614738 584951287 /nfs/dbraw/zinc/95/12/87/584951287.db2.gz XYAJKLKZIVRVMC-MLBQELRYSA-N 0 3 249.785 3.793 20 0 BHADHN Cc1cc(CNC/C=C/c2ccccc2)c(C)o1 ZINC000734003465 584956149 /nfs/dbraw/zinc/95/61/49/584956149.db2.gz FFVGCDOUONCYID-RMKNXTFCSA-N 0 3 241.334 3.699 20 0 BHADHN Cc1cc(CNC/C=C\c2ccccc2)c(C)o1 ZINC000734003466 584956172 /nfs/dbraw/zinc/95/61/72/584956172.db2.gz FFVGCDOUONCYID-TWGQIWQCSA-N 0 3 241.334 3.699 20 0 BHADHN CC[C@H]1c2ccccc2CCN1C/C=C/Cl ZINC000734057926 643487560 /nfs/dbraw/zinc/48/75/60/643487560.db2.gz FBMJPDONMGYZMQ-KVEVGEHQSA-N 0 3 235.758 3.748 20 0 BHADHN CC[C@H]1c2ccccc2CCN1C/C=C\Cl ZINC000734057927 643488346 /nfs/dbraw/zinc/48/83/46/643488346.db2.gz FBMJPDONMGYZMQ-UQYHUFHVSA-N 0 3 235.758 3.748 20 0 BHADHN CC[C@@H]1c2ccccc2CCN1C/C=C\Cl ZINC000734057928 643487950 /nfs/dbraw/zinc/48/79/50/643487950.db2.gz FBMJPDONMGYZMQ-VYLZPFMQSA-N 0 3 235.758 3.748 20 0 BHADHN CC[C@@H]1c2ccccc2CCN1C/C=C/Cl ZINC000734057929 643488870 /nfs/dbraw/zinc/48/88/70/643488870.db2.gz FBMJPDONMGYZMQ-VZUFXWRPSA-N 0 3 235.758 3.748 20 0 BHADHN Cc1ccccc1C[C@@H]1CCCN1C/C=C/Cl ZINC000734211715 584959434 /nfs/dbraw/zinc/95/94/34/584959434.db2.gz YEPPSJIXAGVUGO-BOSPYUDASA-N 0 3 249.785 3.754 20 0 BHADHN Cc1ccccc1C[C@H]1CCCN1C/C=C/Cl ZINC000734211717 584959346 /nfs/dbraw/zinc/95/93/46/584959346.db2.gz YEPPSJIXAGVUGO-FUVBFXSKSA-N 0 3 249.785 3.754 20 0 BHADHN Cc1ccccc1C[C@H]1CCCN1C/C=C\Cl ZINC000734211718 584959353 /nfs/dbraw/zinc/95/93/53/584959353.db2.gz YEPPSJIXAGVUGO-HMZQOCAUSA-N 0 3 249.785 3.754 20 0 BHADHN Cc1ccccc1C[C@@H]1CCCN1C/C=C\Cl ZINC000734211719 584959325 /nfs/dbraw/zinc/95/93/25/584959325.db2.gz YEPPSJIXAGVUGO-ZHMISCPASA-N 0 3 249.785 3.754 20 0 BHADHN C[C@]1(NCc2ccoc2)CCCc2ccccc21 ZINC000734843532 584968753 /nfs/dbraw/zinc/96/87/53/584968753.db2.gz NCWAUZHMCYLGBI-INIZCTEOSA-N 0 3 241.334 3.621 20 0 BHADHN C[C@@]1(NCc2ccoc2)CCCc2ccccc21 ZINC000734843533 584968853 /nfs/dbraw/zinc/96/88/53/584968853.db2.gz NCWAUZHMCYLGBI-MRXNPFEDSA-N 0 3 241.334 3.621 20 0 BHADHN Cc1cccc(C(C)(C)NCc2ccoc2)c1 ZINC000736359941 584999530 /nfs/dbraw/zinc/99/95/30/584999530.db2.gz LYUUYVBOCHOZPH-UHFFFAOYSA-N 0 3 229.323 3.613 20 0 BHADHN C[C@@H](c1ccncc1)N1CCC2(CCCC2)CC1 ZINC000738343070 585043587 /nfs/dbraw/zinc/04/35/87/585043587.db2.gz JXKSBRJTSIGMNO-AWEZNQCLSA-N 0 3 244.382 3.799 20 0 BHADHN C[C@H](c1ccncc1)N1CCC2(CCCC2)CC1 ZINC000738343074 585043609 /nfs/dbraw/zinc/04/36/09/585043609.db2.gz JXKSBRJTSIGMNO-CQSZACIVSA-N 0 3 244.382 3.799 20 0 BHADHN Cc1ccccc1[C@@H]1C[C@@H](C)N(C/C=C/Cl)C1 ZINC000738878646 585053945 /nfs/dbraw/zinc/05/39/45/585053945.db2.gz WVAJMHMBIFVJFL-QLNSKBQOSA-N 0 3 249.785 3.925 20 0 BHADHN Cc1ccccc1[C@@H]1C[C@H](C)N(C/C=C\Cl)C1 ZINC000738878647 585053912 /nfs/dbraw/zinc/05/39/12/585053912.db2.gz WVAJMHMBIFVJFL-UIKBEFBESA-N 0 3 249.785 3.925 20 0 BHADHN Cc1ccccc1[C@@H]1C[C@H](C)N(C/C=C/Cl)C1 ZINC000738878648 585053899 /nfs/dbraw/zinc/05/38/99/585053899.db2.gz WVAJMHMBIFVJFL-VTDTZARESA-N 0 3 249.785 3.925 20 0 BHADHN Cc1ccccc1[C@@H]1C[C@@H](C)N(C/C=C\Cl)C1 ZINC000738878649 585053955 /nfs/dbraw/zinc/05/39/55/585053955.db2.gz WVAJMHMBIFVJFL-WNFXYAGKSA-N 0 3 249.785 3.925 20 0 BHADHN Cc1ccc(C[C@H](C)N(C)C/C=C\Cl)cc1 ZINC000738881988 585054011 /nfs/dbraw/zinc/05/40/11/585054011.db2.gz MQLUWHYRMSRMPA-PRUHKGEBSA-N 0 3 237.774 3.610 20 0 BHADHN Cc1ccc(C[C@@H](C)N(C)C/C=C\Cl)cc1 ZINC000738881994 585053797 /nfs/dbraw/zinc/05/37/97/585053797.db2.gz MQLUWHYRMSRMPA-VVOKDJNJSA-N 0 3 237.774 3.610 20 0 BHADHN CCCCCCN(C)Cc1ccc(F)c(F)c1 ZINC000740874525 585107189 /nfs/dbraw/zinc/10/71/89/585107189.db2.gz MQAKAKKIAHPYHE-UHFFFAOYSA-N 0 3 241.325 3.977 20 0 BHADHN CCCCCCN(C)Cc1ccc(F)cc1F ZINC000740874659 644561661 /nfs/dbraw/zinc/56/16/61/644561661.db2.gz YXVYSIJMBWMOJA-UHFFFAOYSA-N 0 3 241.325 3.977 20 0 BHADHN CC(C)(NCCC(F)(F)F)c1ccc(F)cc1 ZINC000740876817 644562371 /nfs/dbraw/zinc/56/23/71/644562371.db2.gz HYIDIUKUNHMFFM-UHFFFAOYSA-N 0 3 249.251 3.603 20 0 BHADHN CC[C@H](Cc1ccccc1)N(C)C/C=C/Cl ZINC000741811281 585119864 /nfs/dbraw/zinc/11/98/64/585119864.db2.gz OEGDICFEKXRMDG-DNGMOHDESA-N 0 3 237.774 3.692 20 0 BHADHN CC[C@H](Cc1ccccc1)N(C)C/C=C\Cl ZINC000741811282 585119974 /nfs/dbraw/zinc/11/99/74/585119974.db2.gz OEGDICFEKXRMDG-JKEYDSJLSA-N 0 3 237.774 3.692 20 0 BHADHN CC[C@@H](Cc1ccccc1)N(C)C/C=C/Cl ZINC000741811283 585119912 /nfs/dbraw/zinc/11/99/12/585119912.db2.gz OEGDICFEKXRMDG-RNVIBTMRSA-N 0 3 237.774 3.692 20 0 BHADHN CC[C@@H](Cc1ccccc1)N(C)C/C=C\Cl ZINC000741811284 585119781 /nfs/dbraw/zinc/11/97/81/585119781.db2.gz OEGDICFEKXRMDG-YHAOYDPOSA-N 0 3 237.774 3.692 20 0 BHADHN C[C@@H]1CN(C/C=C/Cl)CC[C@H]1c1ccccc1 ZINC000741811291 585119842 /nfs/dbraw/zinc/11/98/42/585119842.db2.gz OLUJPSIWNLKBSY-IVZDOJFNSA-N 0 3 249.785 3.865 20 0 BHADHN C[C@@H]1CN(C/C=C/Cl)CC[C@@H]1c1ccccc1 ZINC000741811292 585119984 /nfs/dbraw/zinc/11/99/84/585119984.db2.gz OLUJPSIWNLKBSY-JHTAHENJSA-N 0 3 249.785 3.865 20 0 BHADHN C[C@@H]1CN(C/C=C\Cl)CC[C@@H]1c1ccccc1 ZINC000741811293 585119961 /nfs/dbraw/zinc/11/99/61/585119961.db2.gz OLUJPSIWNLKBSY-JSHITJIMSA-N 0 3 249.785 3.865 20 0 BHADHN C[C@@H]1CN(C/C=C\Cl)CC[C@H]1c1ccccc1 ZINC000741811294 585119822 /nfs/dbraw/zinc/11/98/22/585119822.db2.gz OLUJPSIWNLKBSY-UDDXRPRYSA-N 0 3 249.785 3.865 20 0 BHADHN Cc1ccoc1CNC[C@@H](C)c1cccc(F)c1 ZINC000742369470 585125211 /nfs/dbraw/zinc/12/52/11/585125211.db2.gz XMYXGXIXGPMDJB-GFCCVEGCSA-N 0 3 247.313 3.620 20 0 BHADHN Cc1ccoc1CNC[C@H](C)c1cccc(F)c1 ZINC000742369471 585124949 /nfs/dbraw/zinc/12/49/49/585124949.db2.gz XMYXGXIXGPMDJB-LBPRGKRZSA-N 0 3 247.313 3.620 20 0 BHADHN C[C@@H](NCc1coc(C2CC2)n1)C1CCCCC1 ZINC000742373285 585125166 /nfs/dbraw/zinc/12/51/66/585125166.db2.gz JKYDWGUJBIHMLR-LLVKDONJSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H](NCc1coc(C2CC2)n1)C1CCCCC1 ZINC000742373286 585124964 /nfs/dbraw/zinc/12/49/64/585124964.db2.gz JKYDWGUJBIHMLR-NSHDSACASA-N 0 3 248.370 3.610 20 0 BHADHN CCC(CC)(CC)NCc1coc(C2CC2)n1 ZINC000742374326 585125628 /nfs/dbraw/zinc/12/56/28/585125628.db2.gz VIVIKDSEWJFDES-UHFFFAOYSA-N 0 3 236.359 3.610 20 0 BHADHN Cc1cc(C)cc(C[C@H](C)NCc2ccoc2)c1 ZINC000742381204 585125408 /nfs/dbraw/zinc/12/54/08/585125408.db2.gz WFNGZYLFTYPKBS-AWEZNQCLSA-N 0 3 243.350 3.617 20 0 BHADHN Cc1cc(C)cc(C[C@@H](C)NCc2ccoc2)c1 ZINC000742381205 585125610 /nfs/dbraw/zinc/12/56/10/585125610.db2.gz WFNGZYLFTYPKBS-CQSZACIVSA-N 0 3 243.350 3.617 20 0 BHADHN Cc1ccsc1CNCc1c(C)cccc1F ZINC000742381486 585125582 /nfs/dbraw/zinc/12/55/82/585125582.db2.gz VQSDMSWVCJSZGQ-UHFFFAOYSA-N 0 3 249.354 3.794 20 0 BHADHN C[C@H](CNCc1ccoc1)Sc1ccccc1 ZINC000742382592 585125521 /nfs/dbraw/zinc/12/55/21/585125521.db2.gz FEHXTIGUQCYXRD-GFCCVEGCSA-N 0 3 247.363 3.550 20 0 BHADHN C[C@@H](CNCc1ccoc1)Sc1ccccc1 ZINC000742382593 585125489 /nfs/dbraw/zinc/12/54/89/585125489.db2.gz FEHXTIGUQCYXRD-LBPRGKRZSA-N 0 3 247.363 3.550 20 0 BHADHN CCC(C)(C)CCN(C)Cc1c(C)noc1C ZINC000743840434 585140190 /nfs/dbraw/zinc/14/01/90/585140190.db2.gz LFIQJUTWRVDDAD-UHFFFAOYSA-N 0 3 238.375 3.550 20 0 BHADHN ClC1(Cl)C[C@@H]1CN1C2CCCC1CCC2 ZINC000743851551 585140887 /nfs/dbraw/zinc/14/08/87/585140887.db2.gz KLMAVYFTUFFMRR-KPPDAEKUSA-N 0 3 248.197 3.587 20 0 BHADHN ClC1(Cl)C[C@H]1CN1C2CCCC1CCC2 ZINC000743851553 585141026 /nfs/dbraw/zinc/14/10/26/585141026.db2.gz KLMAVYFTUFFMRR-WHXUTIOJSA-N 0 3 248.197 3.587 20 0 BHADHN Cl/C=C\CN1CCC(C2CCCC2)CC1 ZINC000743856074 585141290 /nfs/dbraw/zinc/14/12/90/585141290.db2.gz DSAVRCSWUHOEHD-BAQGIRSFSA-N 0 3 227.779 3.641 20 0 BHADHN Cl/C=C/CN1CCC(C2CCCC2)CC1 ZINC000743856075 585141130 /nfs/dbraw/zinc/14/11/30/585141130.db2.gz DSAVRCSWUHOEHD-FPYGCLRLSA-N 0 3 227.779 3.641 20 0 BHADHN CCCCCCN1CCC(C(F)(F)F)CC1 ZINC000743860813 585141064 /nfs/dbraw/zinc/14/10/64/585141064.db2.gz VQIWNIGUHPZYDQ-UHFFFAOYSA-N 0 3 237.309 3.841 20 0 BHADHN Fc1ccccc1CN1CCC2(CCCC2)C1 ZINC000743864060 585141478 /nfs/dbraw/zinc/14/14/78/585141478.db2.gz UBHOBRWUEJQAMC-UHFFFAOYSA-N 0 3 233.330 3.592 20 0 BHADHN Fc1ccc(CN2CCC3(CCCC3)C2)cc1 ZINC000743864136 585141295 /nfs/dbraw/zinc/14/12/95/585141295.db2.gz XGFYGPAPLOSYBP-UHFFFAOYSA-N 0 3 233.330 3.592 20 0 BHADHN Fc1cccc(CN2CCC3(CCCC3)C2)c1 ZINC000743864936 585141760 /nfs/dbraw/zinc/14/17/60/585141760.db2.gz VVMVBYAKFCRVDN-UHFFFAOYSA-N 0 3 233.330 3.592 20 0 BHADHN CCC[C@]1(C)CCCN(C/C=C/Cl)C1 ZINC000743872702 585141787 /nfs/dbraw/zinc/14/17/87/585141787.db2.gz ZTPAEMUUYKBSRR-FZKGZDJFSA-N 0 3 215.768 3.641 20 0 BHADHN CCC[C@@]1(C)CCCN(C/C=C\Cl)C1 ZINC000743872703 585140938 /nfs/dbraw/zinc/14/09/38/585140938.db2.gz ZTPAEMUUYKBSRR-JECSTDCCSA-N 0 3 215.768 3.641 20 0 BHADHN CCC[C@]1(C)CCCN(C/C=C\Cl)C1 ZINC000743872704 585140599 /nfs/dbraw/zinc/14/05/99/585140599.db2.gz ZTPAEMUUYKBSRR-VVEJJEBESA-N 0 3 215.768 3.641 20 0 BHADHN CCC[C@@]1(C)CCCN(C/C=C/Cl)C1 ZINC000743872705 585140724 /nfs/dbraw/zinc/14/07/24/585140724.db2.gz ZTPAEMUUYKBSRR-ZCRIDZFUSA-N 0 3 215.768 3.641 20 0 BHADHN CCCN(CC)Cc1cc(Cl)nc(Cl)c1 ZINC000746107488 585163038 /nfs/dbraw/zinc/16/30/38/585163038.db2.gz IRWSYVOMHFNKHV-UHFFFAOYSA-N 0 3 247.169 3.620 20 0 BHADHN CC(C)=CCN(CCc1ccccc1)C1CC1 ZINC000746119526 585163383 /nfs/dbraw/zinc/16/33/83/585163383.db2.gz YLYBQQOWKNFPBG-UHFFFAOYSA-N 0 3 229.367 3.660 20 0 BHADHN CCC(CC)(CC)NCc1ncc(C(C)C)o1 ZINC000746477631 585168181 /nfs/dbraw/zinc/16/81/81/585168181.db2.gz BFTGLAFLSDSGMQ-UHFFFAOYSA-N 0 3 238.375 3.856 20 0 BHADHN Cc1nc(CN2CCCCCCC2)sc1C ZINC000746495250 585169016 /nfs/dbraw/zinc/16/90/16/585169016.db2.gz WSOREBLNWCWUKB-UHFFFAOYSA-N 0 3 238.400 3.526 20 0 BHADHN Cc1ccc(CCC2CCN(CCF)CC2)cc1 ZINC000746500950 585169215 /nfs/dbraw/zinc/16/92/15/585169215.db2.gz XZJYLHNQHPYUFB-UHFFFAOYSA-N 0 3 249.373 3.609 20 0 BHADHN FCCN(Cc1ccccc1)C1CCCCC1 ZINC000746502719 585169096 /nfs/dbraw/zinc/16/90/96/585169096.db2.gz MINWVDGTWNDHFV-UHFFFAOYSA-N 0 3 235.346 3.791 20 0 BHADHN CC(C)CN(C/C=C/Cl)Cc1ccccc1 ZINC000746656821 585171834 /nfs/dbraw/zinc/17/18/34/585171834.db2.gz ANOFZHIEPPZKGW-RMKNXTFCSA-N 0 3 237.774 3.897 20 0 BHADHN CC(C)CN(C/C=C\Cl)Cc1ccccc1 ZINC000746656830 585171732 /nfs/dbraw/zinc/17/17/32/585171732.db2.gz ANOFZHIEPPZKGW-TWGQIWQCSA-N 0 3 237.774 3.897 20 0 BHADHN C[C@@H]1c2ccccc2CN1CCc1cccs1 ZINC000746668891 585171879 /nfs/dbraw/zinc/17/18/79/585171879.db2.gz BRJBUHKIZPPYJA-GFCCVEGCSA-N 0 3 243.375 3.867 20 0 BHADHN C[C@H]1c2ccccc2CN1CCc1cccs1 ZINC000746668897 585172143 /nfs/dbraw/zinc/17/21/43/585172143.db2.gz BRJBUHKIZPPYJA-LBPRGKRZSA-N 0 3 243.375 3.867 20 0 BHADHN C[C@H]1c2ccccc2CN1CCCCCCCO ZINC000746671077 585171784 /nfs/dbraw/zinc/17/17/84/585171784.db2.gz KNAVAEOJNMIVCZ-AWEZNQCLSA-N 0 3 247.382 3.506 20 0 BHADHN C[C@@H]1c2ccccc2CN1CCCCCCCO ZINC000746671081 585171831 /nfs/dbraw/zinc/17/18/31/585171831.db2.gz KNAVAEOJNMIVCZ-CQSZACIVSA-N 0 3 247.382 3.506 20 0 BHADHN C[C@@H]1CN(Cc2cccs2)Cc2ccccc21 ZINC000747352409 585178341 /nfs/dbraw/zinc/17/83/41/585178341.db2.gz BVEAHBCDRWEASA-GFCCVEGCSA-N 0 3 243.375 3.867 20 0 BHADHN C[C@H]1CN(Cc2cccs2)Cc2ccccc21 ZINC000747352411 585178288 /nfs/dbraw/zinc/17/82/88/585178288.db2.gz BVEAHBCDRWEASA-LBPRGKRZSA-N 0 3 243.375 3.867 20 0 BHADHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C/C=C/Cl ZINC000747532496 585180220 /nfs/dbraw/zinc/18/02/20/585180220.db2.gz YVKYFDRTOPIHLV-IVZDOJFNSA-N 0 3 249.785 3.692 20 0 BHADHN C[C@@H]1[C@H](Cc2ccccc2)CCN1C/C=C/Cl ZINC000747532497 585180353 /nfs/dbraw/zinc/18/03/53/585180353.db2.gz YVKYFDRTOPIHLV-JHTAHENJSA-N 0 3 249.785 3.692 20 0 BHADHN C[C@@H]1[C@H](Cc2ccccc2)CCN1C/C=C\Cl ZINC000747532498 585180558 /nfs/dbraw/zinc/18/05/58/585180558.db2.gz YVKYFDRTOPIHLV-JSHITJIMSA-N 0 3 249.785 3.692 20 0 BHADHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C/C=C\Cl ZINC000747532500 585180376 /nfs/dbraw/zinc/18/03/76/585180376.db2.gz YVKYFDRTOPIHLV-UDDXRPRYSA-N 0 3 249.785 3.692 20 0 BHADHN Cc1ccncc1CN1CCC(CC(C)C)CC1 ZINC000747656026 585181905 /nfs/dbraw/zinc/18/19/05/585181905.db2.gz HHZSJEJTGYPPHO-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccc(CN2CCC(CC(C)C)CC2)nc1 ZINC000747661706 585181796 /nfs/dbraw/zinc/18/17/96/585181796.db2.gz ZRVWJNFIADPYCS-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1cc(CN(C)C2CCCCCCC2)on1 ZINC000748806153 585196715 /nfs/dbraw/zinc/19/67/15/585196715.db2.gz RIORVUWNLUDVSV-UHFFFAOYSA-N 0 3 236.359 3.528 20 0 BHADHN CN(C/C=C/Cl)C1CCCCCCC1 ZINC000748982601 585197807 /nfs/dbraw/zinc/19/78/07/585197807.db2.gz MCIVGPABWLSVOJ-JXMROGBWSA-N 0 3 215.768 3.784 20 0 BHADHN CN(C/C=C\Cl)C1CCCCCCC1 ZINC000748982616 585197762 /nfs/dbraw/zinc/19/77/62/585197762.db2.gz MCIVGPABWLSVOJ-YFHOEESVSA-N 0 3 215.768 3.784 20 0 BHADHN CCC1CCC(N(C)C/C=C/Cl)CC1 ZINC000749117462 585199639 /nfs/dbraw/zinc/19/96/39/585199639.db2.gz SPFSDNUFKGUFGV-RUDMXATFSA-N 0 3 215.768 3.640 20 0 BHADHN CCC1CCC(N(C)C/C=C\Cl)CC1 ZINC000749117463 585199687 /nfs/dbraw/zinc/19/96/87/585199687.db2.gz SPFSDNUFKGUFGV-WTKPLQERSA-N 0 3 215.768 3.640 20 0 BHADHN Clc1ccccc1SCCN1CCCC1 ZINC000749365016 585201503 /nfs/dbraw/zinc/20/15/03/585201503.db2.gz VCUVHOSKGHSYQY-UHFFFAOYSA-N 0 3 241.787 3.528 20 0 BHADHN CC(C)N(Cc1cnc(Cl)s1)C1CCC1 ZINC000750609939 585217786 /nfs/dbraw/zinc/21/77/86/585217786.db2.gz WYUBFGWDTDRABR-UHFFFAOYSA-N 0 3 244.791 3.559 20 0 BHADHN CCc1ccc(C(C)(C)NCc2ccoc2)cc1 ZINC000751509536 585231283 /nfs/dbraw/zinc/23/12/83/585231283.db2.gz KTRFXKUBLMKJMC-UHFFFAOYSA-N 0 3 243.350 3.867 20 0 BHADHN C1=C[C@H]2CC[C@@H](C1)N2CCOC1CCCCCC1 ZINC000752099504 585242522 /nfs/dbraw/zinc/24/25/22/585242522.db2.gz IGKYGOFETCXINK-LSDHHAIUSA-N 0 3 249.398 3.519 20 0 BHADHN CC(C)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000752313037 585244592 /nfs/dbraw/zinc/24/45/92/585244592.db2.gz XDLSTZNUXHELPV-UHFFFAOYSA-N 0 3 241.334 3.713 20 0 BHADHN CC1(c2ccccc2)CCN(C/C=C/Cl)CC1 ZINC000753199098 583977771 /nfs/dbraw/zinc/97/77/71/583977771.db2.gz BRBZEVOPUZWAEH-BJMVGYQFSA-N 0 3 249.785 3.793 20 0 BHADHN CC1(c2ccccc2)CCN(C/C=C\Cl)CC1 ZINC000753199099 583977514 /nfs/dbraw/zinc/97/75/14/583977514.db2.gz BRBZEVOPUZWAEH-YHYXMXQVSA-N 0 3 249.785 3.793 20 0 BHADHN Cc1cccc([C@H]2CCN(Cc3ccoc3)C2)c1 ZINC000753588168 585263077 /nfs/dbraw/zinc/26/30/77/585263077.db2.gz GPPWZXOOPPLMDY-INIZCTEOSA-N 0 3 241.334 3.578 20 0 BHADHN Cc1cccc([C@@H]2CCN(Cc3ccoc3)C2)c1 ZINC000753588169 585263137 /nfs/dbraw/zinc/26/31/37/585263137.db2.gz GPPWZXOOPPLMDY-MRXNPFEDSA-N 0 3 241.334 3.578 20 0 BHADHN CCCN(CCC(=O)CC)Cc1ccc(C)cc1 ZINC000753686263 585266339 /nfs/dbraw/zinc/26/63/39/585266339.db2.gz VDZGAPFQCJEPNG-UHFFFAOYSA-N 0 3 247.382 3.576 20 0 BHADHN CCC(=O)CCN(C)Cc1ccc(C(C)C)cc1 ZINC000753697102 585266255 /nfs/dbraw/zinc/26/62/55/585266255.db2.gz LAZYAGXCOMTDMR-UHFFFAOYSA-N 0 3 247.382 3.611 20 0 BHADHN CCC(=O)CCN(C)[C@@H](C)c1ccc(C)cc1C ZINC000753704222 585266651 /nfs/dbraw/zinc/26/66/51/585266651.db2.gz APDSFWSOTBAWPX-AWEZNQCLSA-N 0 3 247.382 3.665 20 0 BHADHN CCC(=O)CCN(C)[C@H](C)c1ccc(C)cc1C ZINC000753704223 585266618 /nfs/dbraw/zinc/26/66/18/585266618.db2.gz APDSFWSOTBAWPX-CQSZACIVSA-N 0 3 247.382 3.665 20 0 BHADHN CCC(=O)CCN1CCC(CCC(C)C)CC1 ZINC000753737788 585267611 /nfs/dbraw/zinc/26/76/11/585267611.db2.gz JYZSBLAZDGWUDI-UHFFFAOYSA-N 0 3 239.403 3.504 20 0 BHADHN Cc1cccc(F)c1CNC1CC(C(C)C)C1 ZINC000754100396 585278308 /nfs/dbraw/zinc/27/83/08/585278308.db2.gz HNBRCFLFDXZZPO-UHFFFAOYSA-N 0 3 235.346 3.658 20 0 BHADHN CCCCCCN[C@H](CCOC)c1ccco1 ZINC000754449035 585284684 /nfs/dbraw/zinc/28/46/84/585284684.db2.gz SFBVTEXPNVSDDR-CYBMUJFWSA-N 0 3 239.359 3.527 20 0 BHADHN CCCCCCN[C@@H](CCOC)c1ccco1 ZINC000754449040 585284586 /nfs/dbraw/zinc/28/45/86/585284586.db2.gz SFBVTEXPNVSDDR-ZDUSSCGKSA-N 0 3 239.359 3.527 20 0 BHADHN CCOCCN[C@H](C)c1csc2ccccc12 ZINC000754729286 585290192 /nfs/dbraw/zinc/29/01/92/585290192.db2.gz AQXKHAWEUOHEDG-LLVKDONJSA-N 0 3 249.379 3.588 20 0 BHADHN CCOCCN[C@@H](C)c1csc2ccccc12 ZINC000754729293 585290113 /nfs/dbraw/zinc/29/01/13/585290113.db2.gz AQXKHAWEUOHEDG-NSHDSACASA-N 0 3 249.379 3.588 20 0 BHADHN CCCCC[C@@H](C)NCc1nc2ccccc2o1 ZINC000754849719 585291882 /nfs/dbraw/zinc/29/18/82/585291882.db2.gz RJVVOJFCLFODSD-GFCCVEGCSA-N 0 3 246.354 3.886 20 0 BHADHN CCCCC[C@H](C)NCc1nc2ccccc2o1 ZINC000754849721 584932776 /nfs/dbraw/zinc/93/27/76/584932776.db2.gz RJVVOJFCLFODSD-LBPRGKRZSA-N 0 3 246.354 3.886 20 0 BHADHN CN(C/C=C/Cl)C1CCC(C)(C)CC1 ZINC000756059609 585313915 /nfs/dbraw/zinc/31/39/15/585313915.db2.gz SJAVDHCIGVPNIL-RUDMXATFSA-N 0 3 215.768 3.640 20 0 BHADHN CN(C/C=C\Cl)C1CCC(C)(C)CC1 ZINC000756059613 585313855 /nfs/dbraw/zinc/31/38/55/585313855.db2.gz SJAVDHCIGVPNIL-WTKPLQERSA-N 0 3 215.768 3.640 20 0 BHADHN CC[C@H](NC1CCCCCCC1)c1ccn(C)n1 ZINC000756339803 585318127 /nfs/dbraw/zinc/31/81/27/585318127.db2.gz CPEAGMHLQBMTTR-AWEZNQCLSA-N 0 3 249.402 3.574 20 0 BHADHN CC[C@@H](NC1CCCCCCC1)c1ccn(C)n1 ZINC000756339816 585318066 /nfs/dbraw/zinc/31/80/66/585318066.db2.gz CPEAGMHLQBMTTR-CQSZACIVSA-N 0 3 249.402 3.574 20 0 BHADHN CCCCCCN1CC=C(C(F)(F)F)CC1 ZINC000757118187 585029303 /nfs/dbraw/zinc/02/93/03/585029303.db2.gz TWWCIDOQIXSAQD-UHFFFAOYSA-N 0 3 235.293 3.761 20 0 BHADHN CCCCCCN(C)Cc1ccc(C)o1 ZINC000757512496 585339764 /nfs/dbraw/zinc/33/97/64/585339764.db2.gz VSOMFYJBQMPNBD-UHFFFAOYSA-N 0 3 209.333 3.600 20 0 BHADHN CC1(C)CCCC[C@H]1NCc1coc(C2CC2)n1 ZINC000757700678 585344488 /nfs/dbraw/zinc/34/44/88/585344488.db2.gz YQOHEPJPYCPXJD-CYBMUJFWSA-N 0 3 248.370 3.610 20 0 BHADHN CC1(C)CCCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000757700680 585344465 /nfs/dbraw/zinc/34/44/65/585344465.db2.gz YQOHEPJPYCPXJD-ZDUSSCGKSA-N 0 3 248.370 3.610 20 0 BHADHN CCCCCCN(C)Cc1cc(Cl)cn1C ZINC000757840712 585345743 /nfs/dbraw/zinc/34/57/43/585345743.db2.gz QENDYGYBDPWOTI-UHFFFAOYSA-N 0 3 242.794 3.691 20 0 BHADHN c1nc(CNC(C2CCCC2)C2CCCC2)co1 ZINC000758360752 585354609 /nfs/dbraw/zinc/35/46/09/585354609.db2.gz IUJCBGDWAWISEU-UHFFFAOYSA-N 0 3 248.370 3.513 20 0 BHADHN FCCN1CCCCC[C@H]1c1ccccc1 ZINC000759329061 585367301 /nfs/dbraw/zinc/36/73/01/585367301.db2.gz WLNVCTGQZPEENQ-AWEZNQCLSA-N 0 3 221.319 3.573 20 0 BHADHN FCCN1CCCCC[C@@H]1c1ccccc1 ZINC000759329065 585367672 /nfs/dbraw/zinc/36/76/72/585367672.db2.gz WLNVCTGQZPEENQ-CQSZACIVSA-N 0 3 221.319 3.573 20 0 BHADHN CCCN(CCF)[C@@H](CC)c1ccccc1 ZINC000759330007 584906557 /nfs/dbraw/zinc/90/65/57/584906557.db2.gz AAAVETNUESHMPW-AWEZNQCLSA-N 0 3 223.335 3.819 20 0 BHADHN CCCN(CCF)[C@H](CC)c1ccccc1 ZINC000759330015 584906572 /nfs/dbraw/zinc/90/65/72/584906572.db2.gz AAAVETNUESHMPW-CQSZACIVSA-N 0 3 223.335 3.819 20 0 BHADHN FCCN1CCC[C@H]1c1cccc2ccccc21 ZINC000759330103 585367822 /nfs/dbraw/zinc/36/78/22/585367822.db2.gz CVPXLPLEXKUWHV-INIZCTEOSA-N 0 3 243.325 3.946 20 0 BHADHN FCCN1CCC[C@@H]1c1cccc2ccccc21 ZINC000759330104 585368120 /nfs/dbraw/zinc/36/81/20/585368120.db2.gz CVPXLPLEXKUWHV-MRXNPFEDSA-N 0 3 243.325 3.946 20 0 BHADHN CC[C@H](c1ccccc1)[C@@H]1CCCN1CCF ZINC000759330732 585367815 /nfs/dbraw/zinc/36/78/15/585367815.db2.gz AWDZJRLQRNCFGB-CABCVRRESA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@@H](c1ccccc1)[C@@H]1CCCN1CCF ZINC000759330734 585368090 /nfs/dbraw/zinc/36/80/90/585368090.db2.gz AWDZJRLQRNCFGB-GJZGRUSLSA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@H](c1ccccc1)[C@H]1CCCN1CCF ZINC000759330735 585367845 /nfs/dbraw/zinc/36/78/45/585367845.db2.gz AWDZJRLQRNCFGB-HUUCEWRRSA-N 0 3 235.346 3.614 20 0 BHADHN CC[C@@H](c1ccccc1)[C@H]1CCCN1CCF ZINC000759330737 585367931 /nfs/dbraw/zinc/36/79/31/585367931.db2.gz AWDZJRLQRNCFGB-LSDHHAIUSA-N 0 3 235.346 3.614 20 0 BHADHN CCCCN(CCF)[C@H](C)c1ccccc1 ZINC000759330817 585367967 /nfs/dbraw/zinc/36/79/67/585367967.db2.gz SJSFGJBUBHSPLY-CYBMUJFWSA-N 0 3 223.335 3.819 20 0 BHADHN CCCCN(CCF)[C@@H](C)c1ccccc1 ZINC000759330819 585368012 /nfs/dbraw/zinc/36/80/12/585368012.db2.gz SJSFGJBUBHSPLY-ZDUSSCGKSA-N 0 3 223.335 3.819 20 0 BHADHN FCCN(Cc1cccc(F)c1)C1CCCC1 ZINC000759330964 585368113 /nfs/dbraw/zinc/36/81/13/585368113.db2.gz VMWMCBDHXCHIFP-UHFFFAOYSA-N 0 3 239.309 3.540 20 0 BHADHN CC(C)c1ccc([C@@H]2CCCN2CCF)cc1 ZINC000759334135 585368199 /nfs/dbraw/zinc/36/81/99/585368199.db2.gz SYWTWBRBYGLGMY-HNNXBMFYSA-N 0 3 235.346 3.916 20 0 BHADHN CC(C)c1ccc([C@H]2CCCN2CCF)cc1 ZINC000759334138 585368205 /nfs/dbraw/zinc/36/82/05/585368205.db2.gz SYWTWBRBYGLGMY-OAHLLOKOSA-N 0 3 235.346 3.916 20 0 BHADHN CC(C)(C)CN(CCF)Cc1ccccc1 ZINC000759339418 585368703 /nfs/dbraw/zinc/36/87/03/585368703.db2.gz OYSZSHXRGHLLEC-UHFFFAOYSA-N 0 3 223.335 3.504 20 0 BHADHN Cc1ccc([C@H]2[C@@H](C)CCCN2CCF)cc1 ZINC000759341717 585369040 /nfs/dbraw/zinc/36/90/40/585369040.db2.gz DJSWGZLCFJVYDW-DZGCQCFKSA-N 0 3 235.346 3.738 20 0 BHADHN Cc1ccc([C@@H]2[C@H](C)CCCN2CCF)cc1 ZINC000759341721 585369030 /nfs/dbraw/zinc/36/90/30/585369030.db2.gz DJSWGZLCFJVYDW-HIFRSBDPSA-N 0 3 235.346 3.738 20 0 BHADHN Cc1ccc([C@H]2[C@H](C)CCCN2CCF)cc1 ZINC000759341723 585369080 /nfs/dbraw/zinc/36/90/80/585369080.db2.gz DJSWGZLCFJVYDW-UKRRQHHQSA-N 0 3 235.346 3.738 20 0 BHADHN Cc1ccc([C@@H]2[C@@H](C)CCCN2CCF)cc1 ZINC000759341724 585369354 /nfs/dbraw/zinc/36/93/54/585369354.db2.gz DJSWGZLCFJVYDW-ZFWWWQNUSA-N 0 3 235.346 3.738 20 0 BHADHN C[C@H](c1ccccc1)N(CCF)CC1CCC1 ZINC000759341735 585369178 /nfs/dbraw/zinc/36/91/78/585369178.db2.gz DLIPXUPLLKHCCQ-CYBMUJFWSA-N 0 3 235.346 3.819 20 0 BHADHN C[C@@H](c1ccccc1)N(CCF)CC1CCC1 ZINC000759341738 585369077 /nfs/dbraw/zinc/36/90/77/585369077.db2.gz DLIPXUPLLKHCCQ-ZDUSSCGKSA-N 0 3 235.346 3.819 20 0 BHADHN CC[C@@H](Cc1ccc(C)cc1)N(CC)CCF ZINC000759343729 585369724 /nfs/dbraw/zinc/36/97/24/585369724.db2.gz AEHVEILSPDKAAX-HNNXBMFYSA-N 0 3 237.362 3.608 20 0 BHADHN CC[C@H](Cc1ccc(C)cc1)N(CC)CCF ZINC000759343748 585369768 /nfs/dbraw/zinc/36/97/68/585369768.db2.gz AEHVEILSPDKAAX-OAHLLOKOSA-N 0 3 237.362 3.608 20 0 BHADHN Cc1ccc([C@H]2CCC[C@@H]2N(C)CCF)cc1 ZINC000759343920 585369510 /nfs/dbraw/zinc/36/95/10/585369510.db2.gz BBVQTAMAJBEJRE-CABCVRRESA-N 0 3 235.346 3.532 20 0 BHADHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CCF)cc1 ZINC000759343924 585369702 /nfs/dbraw/zinc/36/97/02/585369702.db2.gz BBVQTAMAJBEJRE-GJZGRUSLSA-N 0 3 235.346 3.532 20 0 BHADHN Cc1ccc([C@H]2CCC[C@H]2N(C)CCF)cc1 ZINC000759343927 585369695 /nfs/dbraw/zinc/36/96/95/585369695.db2.gz BBVQTAMAJBEJRE-HUUCEWRRSA-N 0 3 235.346 3.532 20 0 BHADHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CCF)cc1 ZINC000759343930 585369811 /nfs/dbraw/zinc/36/98/11/585369811.db2.gz BBVQTAMAJBEJRE-LSDHHAIUSA-N 0 3 235.346 3.532 20 0 BHADHN Cc1cccc([C@@H]2CCCCCN2CCF)c1 ZINC000759344393 585369822 /nfs/dbraw/zinc/36/98/22/585369822.db2.gz PUMPYGRUIIECQT-HNNXBMFYSA-N 0 3 235.346 3.882 20 0 BHADHN Cc1cccc([C@H]2CCCCCN2CCF)c1 ZINC000759344395 585369562 /nfs/dbraw/zinc/36/95/62/585369562.db2.gz PUMPYGRUIIECQT-OAHLLOKOSA-N 0 3 235.346 3.882 20 0 BHADHN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)CCF ZINC000759345614 585370349 /nfs/dbraw/zinc/37/03/49/585370349.db2.gz JVUAUHHOHWLBDU-GHMZBOCLSA-N 0 3 243.753 3.733 20 0 BHADHN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CCF ZINC000759345618 585370372 /nfs/dbraw/zinc/37/03/72/585370372.db2.gz JVUAUHHOHWLBDU-MNOVXSKESA-N 0 3 243.753 3.733 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)CCF ZINC000759345638 585370217 /nfs/dbraw/zinc/37/02/17/585370217.db2.gz JVUAUHHOHWLBDU-QWRGUYRKSA-N 0 3 243.753 3.733 20 0 BHADHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CCF ZINC000759345640 585369898 /nfs/dbraw/zinc/36/98/98/585369898.db2.gz JVUAUHHOHWLBDU-WDEREUQCSA-N 0 3 243.753 3.733 20 0 BHADHN Cc1cccc([C@@H]2CCCCN2CCF)c1C ZINC000759348596 585370638 /nfs/dbraw/zinc/37/06/38/585370638.db2.gz XUNPAILSLUNNFR-HNNXBMFYSA-N 0 3 235.346 3.800 20 0 BHADHN Cc1cccc([C@H]2CCCCN2CCF)c1C ZINC000759348597 585370619 /nfs/dbraw/zinc/37/06/19/585370619.db2.gz XUNPAILSLUNNFR-OAHLLOKOSA-N 0 3 235.346 3.800 20 0 BHADHN CCc1noc(C)c1[C@H](C)NCC(C)(C)CC ZINC000760017167 585384561 /nfs/dbraw/zinc/38/45/61/585384561.db2.gz LDVWRXRPJQXRSX-JTQLQIEISA-N 0 3 238.375 3.632 20 0 BHADHN CCc1noc(C)c1[C@@H](C)NCC(C)(C)CC ZINC000760017173 585384520 /nfs/dbraw/zinc/38/45/20/585384520.db2.gz LDVWRXRPJQXRSX-SNVBAGLBSA-N 0 3 238.375 3.632 20 0 BHADHN CCc1noc(C)c1[C@H](C)N[C@H]1CC12CCCC2 ZINC000760039283 585384748 /nfs/dbraw/zinc/38/47/48/585384748.db2.gz FKGQRXHVELKKDY-GWCFXTLKSA-N 0 3 248.370 3.529 20 0 BHADHN CCc1noc(C)c1[C@H](C)N[C@@H]1CC12CCCC2 ZINC000760039284 585384614 /nfs/dbraw/zinc/38/46/14/585384614.db2.gz FKGQRXHVELKKDY-GXFFZTMASA-N 0 3 248.370 3.529 20 0 BHADHN CCc1noc(C)c1[C@@H](C)N[C@H]1CC12CCCC2 ZINC000760039286 585384734 /nfs/dbraw/zinc/38/47/34/585384734.db2.gz FKGQRXHVELKKDY-MFKMUULPSA-N 0 3 248.370 3.529 20 0 BHADHN CCc1noc(C)c1[C@@H](C)N[C@@H]1CC12CCCC2 ZINC000760039288 585384755 /nfs/dbraw/zinc/38/47/55/585384755.db2.gz FKGQRXHVELKKDY-ZWNOBZJWSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1cccc([C@@H](C)N[C@H](C)c2ccc[nH]2)c1 ZINC000760247748 585387339 /nfs/dbraw/zinc/38/73/39/585387339.db2.gz GPEDUSXPJIKMEE-CHWSQXEVSA-N 0 3 228.339 3.735 20 0 BHADHN Cc1cccc([C@@H](C)N[C@@H](C)c2ccc[nH]2)c1 ZINC000760247756 585387201 /nfs/dbraw/zinc/38/72/01/585387201.db2.gz GPEDUSXPJIKMEE-OLZOCXBDSA-N 0 3 228.339 3.735 20 0 BHADHN Cc1cccc([C@H](C)N[C@H](C)c2ccc[nH]2)c1 ZINC000760247761 585387240 /nfs/dbraw/zinc/38/72/40/585387240.db2.gz GPEDUSXPJIKMEE-QWHCGFSZSA-N 0 3 228.339 3.735 20 0 BHADHN Cc1cccc([C@H](C)N[C@@H](C)c2ccc[nH]2)c1 ZINC000760247764 585387264 /nfs/dbraw/zinc/38/72/64/585387264.db2.gz GPEDUSXPJIKMEE-STQMWFEESA-N 0 3 228.339 3.735 20 0 BHADHN C[C@@H](N[C@H](C)c1cccc(F)c1)c1ccc[nH]1 ZINC000760248416 585387461 /nfs/dbraw/zinc/38/74/61/585387461.db2.gz IGLBFMSBKBRCJO-GHMZBOCLSA-N 0 3 232.302 3.566 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cccc(F)c1 ZINC000760248417 585387576 /nfs/dbraw/zinc/38/75/76/585387576.db2.gz IGLBFMSBKBRCJO-MNOVXSKESA-N 0 3 232.302 3.566 20 0 BHADHN C[C@H](N[C@@H](C)c1cccc(F)c1)c1ccc[nH]1 ZINC000760248418 585387552 /nfs/dbraw/zinc/38/75/52/585387552.db2.gz IGLBFMSBKBRCJO-QWRGUYRKSA-N 0 3 232.302 3.566 20 0 BHADHN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccc[nH]1 ZINC000760248420 585387563 /nfs/dbraw/zinc/38/75/63/585387563.db2.gz IGLBFMSBKBRCJO-WDEREUQCSA-N 0 3 232.302 3.566 20 0 BHADHN C[C@@H](N[C@H](C)c1ccc(F)cc1)c1ccc[nH]1 ZINC000760249153 585387392 /nfs/dbraw/zinc/38/73/92/585387392.db2.gz LVNFBOVBJOSUIA-GHMZBOCLSA-N 0 3 232.302 3.566 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000760249155 585387511 /nfs/dbraw/zinc/38/75/11/585387511.db2.gz LVNFBOVBJOSUIA-MNOVXSKESA-N 0 3 232.302 3.566 20 0 BHADHN C[C@H](N[C@@H](C)c1ccc(F)cc1)c1ccc[nH]1 ZINC000760249157 585387384 /nfs/dbraw/zinc/38/73/84/585387384.db2.gz LVNFBOVBJOSUIA-QWRGUYRKSA-N 0 3 232.302 3.566 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccc[nH]1 ZINC000760249159 585387351 /nfs/dbraw/zinc/38/73/51/585387351.db2.gz LVNFBOVBJOSUIA-WDEREUQCSA-N 0 3 232.302 3.566 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccccc1 ZINC000760250053 585387485 /nfs/dbraw/zinc/38/74/85/585387485.db2.gz PAIFBIKZNMKYPT-GXTWGEPZSA-N 0 3 228.339 3.817 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccc[nH]1)c1ccccc1 ZINC000760250054 585387447 /nfs/dbraw/zinc/38/74/47/585387447.db2.gz PAIFBIKZNMKYPT-JSGCOSHPSA-N 0 3 228.339 3.817 20 0 BHADHN CC[C@H](N[C@H](C)c1ccc[nH]1)c1ccccc1 ZINC000760250057 585387586 /nfs/dbraw/zinc/38/75/86/585387586.db2.gz PAIFBIKZNMKYPT-OCCSQVGLSA-N 0 3 228.339 3.817 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccc[nH]1)c1ccccc1 ZINC000760250060 585387372 /nfs/dbraw/zinc/38/73/72/585387372.db2.gz PAIFBIKZNMKYPT-TZMCWYRMSA-N 0 3 228.339 3.817 20 0 BHADHN C[C@H](N[C@@H]1CCCc2ccccc21)c1ccc[nH]1 ZINC000760250664 585387550 /nfs/dbraw/zinc/38/75/50/585387550.db2.gz SJVJGLIUIJQTOA-BLLLJJGKSA-N 0 3 240.350 3.743 20 0 BHADHN C[C@H](N[C@H]1CCCc2ccccc21)c1ccc[nH]1 ZINC000760250665 585387341 /nfs/dbraw/zinc/38/73/41/585387341.db2.gz SJVJGLIUIJQTOA-LRDDRELGSA-N 0 3 240.350 3.743 20 0 BHADHN C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccc[nH]1 ZINC000760250666 585387370 /nfs/dbraw/zinc/38/73/70/585387370.db2.gz SJVJGLIUIJQTOA-MLGOLLRUSA-N 0 3 240.350 3.743 20 0 BHADHN C[C@@H](N[C@H]1CCCc2ccccc21)c1ccc[nH]1 ZINC000760250667 585387540 /nfs/dbraw/zinc/38/75/40/585387540.db2.gz SJVJGLIUIJQTOA-WBMJQRKESA-N 0 3 240.350 3.743 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccc[nH]1 ZINC000760250672 585387469 /nfs/dbraw/zinc/38/74/69/585387469.db2.gz SOTZMLNBFREGDD-CHWSQXEVSA-N 0 3 228.339 3.735 20 0 BHADHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000760250673 585387443 /nfs/dbraw/zinc/38/74/43/585387443.db2.gz SOTZMLNBFREGDD-OLZOCXBDSA-N 0 3 228.339 3.735 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@H](C)c1ccc[nH]1 ZINC000760250674 585387360 /nfs/dbraw/zinc/38/73/60/585387360.db2.gz SOTZMLNBFREGDD-QWHCGFSZSA-N 0 3 228.339 3.735 20 0 BHADHN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000760250675 585387347 /nfs/dbraw/zinc/38/73/47/585387347.db2.gz SOTZMLNBFREGDD-STQMWFEESA-N 0 3 228.339 3.735 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000760250677 585387582 /nfs/dbraw/zinc/38/75/82/585387582.db2.gz SRVRKEIZFWKRDR-BXUZGUMPSA-N 0 3 246.329 3.956 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000760250678 585387578 /nfs/dbraw/zinc/38/75/78/585387578.db2.gz SRVRKEIZFWKRDR-FZMZJTMJSA-N 0 3 246.329 3.956 20 0 BHADHN CC[C@H](N[C@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000760250679 585387451 /nfs/dbraw/zinc/38/74/51/585387451.db2.gz SRVRKEIZFWKRDR-RISCZKNCSA-N 0 3 246.329 3.956 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(F)cc1 ZINC000760250680 585387362 /nfs/dbraw/zinc/38/73/62/585387362.db2.gz SRVRKEIZFWKRDR-SMDDNHRTSA-N 0 3 246.329 3.956 20 0 BHADHN CCCc1ccc(CN[C@H](C)c2ccc[nH]2)cc1 ZINC000760446819 585392663 /nfs/dbraw/zinc/39/26/63/585392663.db2.gz XQYRJNGBZQJDGT-CYBMUJFWSA-N 0 3 242.366 3.818 20 0 BHADHN CCCc1ccc(CN[C@@H](C)c2ccc[nH]2)cc1 ZINC000760446820 585392592 /nfs/dbraw/zinc/39/25/92/585392592.db2.gz XQYRJNGBZQJDGT-ZDUSSCGKSA-N 0 3 242.366 3.818 20 0 BHADHN CC[C@H](CC(F)(F)F)NCc1cc(C)oc1C ZINC000760649061 585395272 /nfs/dbraw/zinc/39/52/72/585395272.db2.gz FYGJEUNRWSCYFK-LLVKDONJSA-N 0 3 249.276 3.717 20 0 BHADHN CC[C@@H](CC(F)(F)F)NCc1cc(C)oc1C ZINC000760649069 585395119 /nfs/dbraw/zinc/39/51/19/585395119.db2.gz FYGJEUNRWSCYFK-NSHDSACASA-N 0 3 249.276 3.717 20 0 BHADHN c1cc(CNC2(Cc3ccccc3)CCC2)co1 ZINC000760715841 585396161 /nfs/dbraw/zinc/39/61/61/585396161.db2.gz FUARCNIAEKLXMM-UHFFFAOYSA-N 0 3 241.334 3.535 20 0 BHADHN CCCC[C@H](CC)CN1CCC[C@H]1c1ncc[nH]1 ZINC000760870851 585400729 /nfs/dbraw/zinc/40/07/29/585400729.db2.gz ROSMIDZVDQFKBU-KBPBESRZSA-N 0 3 249.402 3.763 20 0 BHADHN CCCC[C@@H](CC)CN1CCC[C@H]1c1ncc[nH]1 ZINC000760870852 585400536 /nfs/dbraw/zinc/40/05/36/585400536.db2.gz ROSMIDZVDQFKBU-KGLIPLIRSA-N 0 3 249.402 3.763 20 0 BHADHN CCCC[C@H](CC)CN1CCC[C@@H]1c1ncc[nH]1 ZINC000760870853 585400575 /nfs/dbraw/zinc/40/05/75/585400575.db2.gz ROSMIDZVDQFKBU-UONOGXRCSA-N 0 3 249.402 3.763 20 0 BHADHN CCCC[C@@H](CC)CN1CCC[C@@H]1c1ncc[nH]1 ZINC000760870855 585400592 /nfs/dbraw/zinc/40/05/92/585400592.db2.gz ROSMIDZVDQFKBU-ZIAGYGMSSA-N 0 3 249.402 3.763 20 0 BHADHN CC(C)CC1CCN([C@@H](C)c2cccnc2)CC1 ZINC000760918838 585401719 /nfs/dbraw/zinc/40/17/19/585401719.db2.gz AMUIEMVRKBSGRL-AWEZNQCLSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)CC1CCN([C@H](C)c2cccnc2)CC1 ZINC000760918839 585401818 /nfs/dbraw/zinc/40/18/18/585401818.db2.gz AMUIEMVRKBSGRL-CQSZACIVSA-N 0 3 246.398 3.901 20 0 BHADHN Cc1cccc(CN2CCC(CC(C)C)CC2)n1 ZINC000760920208 585401643 /nfs/dbraw/zinc/40/16/43/585401643.db2.gz LHGWZNXJTVCWAH-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CC(C)CC1CCN(CCC(F)(F)F)CC1 ZINC000760921162 585401768 /nfs/dbraw/zinc/40/17/68/585401768.db2.gz PTFCAISSBQKEPC-UHFFFAOYSA-N 0 3 237.309 3.697 20 0 BHADHN CC(C)CC1CCN([C@@H](C)c2ccccn2)CC1 ZINC000760922429 585401698 /nfs/dbraw/zinc/40/16/98/585401698.db2.gz VPKZYGKSVJQHSU-AWEZNQCLSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)CC1CCN([C@H](C)c2ccccn2)CC1 ZINC000760922431 585401759 /nfs/dbraw/zinc/40/17/59/585401759.db2.gz VPKZYGKSVJQHSU-CQSZACIVSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)CC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000760925876 585401985 /nfs/dbraw/zinc/40/19/85/585401985.db2.gz MSDBETCOGGZUDO-AWEZNQCLSA-N 0 3 246.398 3.901 20 0 BHADHN CC(C)CC1CCN([C@H](C)c2ccncc2)CC1 ZINC000760925884 585402075 /nfs/dbraw/zinc/40/20/75/585402075.db2.gz MSDBETCOGGZUDO-CQSZACIVSA-N 0 3 246.398 3.901 20 0 BHADHN C[C@@H](c1ccccc1)N1CC[C@@H](C(F)(F)F)C1 ZINC000761048998 585404116 /nfs/dbraw/zinc/40/41/16/585404116.db2.gz ZTOWFJRWQUFFIO-CMPLNLGQSA-N 0 3 243.272 3.632 20 0 BHADHN C[C@@H](c1ccccc1)N1CC[C@H](C(F)(F)F)C1 ZINC000761049000 585403996 /nfs/dbraw/zinc/40/39/96/585403996.db2.gz ZTOWFJRWQUFFIO-JQWIXIFHSA-N 0 3 243.272 3.632 20 0 BHADHN C[C@H](c1ccccc1)N1CC[C@H](C(F)(F)F)C1 ZINC000761049003 585404017 /nfs/dbraw/zinc/40/40/17/585404017.db2.gz ZTOWFJRWQUFFIO-PWSUYJOCSA-N 0 3 243.272 3.632 20 0 BHADHN C[C@H](c1ccccc1)N1CC[C@@H](C(F)(F)F)C1 ZINC000761049005 585403974 /nfs/dbraw/zinc/40/39/74/585403974.db2.gz ZTOWFJRWQUFFIO-ZYHUDNBSSA-N 0 3 243.272 3.632 20 0 BHADHN CC[C@H](c1ccc(Cl)cc1)N1CC[C@@H]2C[C@@H]21 ZINC000761090172 585408075 /nfs/dbraw/zinc/40/80/75/585408075.db2.gz JPVYSERDJOYVFU-BNOWGMLFSA-N 0 3 235.758 3.885 20 0 BHADHN CC[C@H](c1ccc(Cl)cc1)N1CC[C@H]2C[C@H]21 ZINC000761090177 585407959 /nfs/dbraw/zinc/40/79/59/585407959.db2.gz JPVYSERDJOYVFU-IACUBPJLSA-N 0 3 235.758 3.885 20 0 BHADHN CCCCCCN1CCc2ccsc2C1 ZINC000761124480 585410857 /nfs/dbraw/zinc/41/08/57/585410857.db2.gz RFZZKYQLSPCWBK-UHFFFAOYSA-N 0 3 223.385 3.687 20 0 BHADHN CCN(CCC1CC1)Cc1cc(C)oc1C ZINC000761225803 585412329 /nfs/dbraw/zinc/41/23/29/585412329.db2.gz IOWNFOFZEHMHRG-UHFFFAOYSA-N 0 3 221.344 3.518 20 0 BHADHN Cl/C=C\CN1CCCC[C@H]1c1ccccc1 ZINC000762634454 585434510 /nfs/dbraw/zinc/43/45/10/585434510.db2.gz PJHOHMDUXHCUPX-APFBBLRHSA-N 0 3 235.758 3.966 20 0 BHADHN Cl/C=C\CN1CCCC[C@@H]1c1ccccc1 ZINC000762634483 585434695 /nfs/dbraw/zinc/43/46/95/585434695.db2.gz PJHOHMDUXHCUPX-LBIZBFCRSA-N 0 3 235.758 3.966 20 0 BHADHN Cl/C=C/CN1CCCC[C@@H]1c1ccccc1 ZINC000762634486 585434603 /nfs/dbraw/zinc/43/46/03/585434603.db2.gz PJHOHMDUXHCUPX-OAUONFCTSA-N 0 3 235.758 3.966 20 0 BHADHN Cl/C=C/CN1CCCC[C@H]1c1ccccc1 ZINC000762634489 585434600 /nfs/dbraw/zinc/43/46/00/585434600.db2.gz PJHOHMDUXHCUPX-XYYIANASSA-N 0 3 235.758 3.966 20 0 BHADHN Fc1ccc([C@@H]2CCCN2CC2CC2)cc1F ZINC000763409551 585447950 /nfs/dbraw/zinc/44/79/50/585447950.db2.gz GDXPRBTWTPKDQT-AWEZNQCLSA-N 0 3 237.293 3.512 20 0 BHADHN Fc1ccc([C@H]2CCCN2CC2CC2)cc1F ZINC000763409557 585447808 /nfs/dbraw/zinc/44/78/08/585447808.db2.gz GDXPRBTWTPKDQT-CQSZACIVSA-N 0 3 237.293 3.512 20 0 BHADHN Cl/C=C(/Cl)CN1CCC[C@@H]1C1CCCC1 ZINC000763492393 585448905 /nfs/dbraw/zinc/44/89/05/585448905.db2.gz HZSAFBIZGUYMMS-JATZPVMKSA-N 0 3 248.197 3.960 20 0 BHADHN Cl/C=C(\Cl)CN1CCC[C@H]1C1CCCC1 ZINC000763492394 585448765 /nfs/dbraw/zinc/44/87/65/585448765.db2.gz HZSAFBIZGUYMMS-KGTBHZDVSA-N 0 3 248.197 3.960 20 0 BHADHN Cl/C=C(\Cl)CN1CCC[C@@H]1C1CCCC1 ZINC000763492395 585448988 /nfs/dbraw/zinc/44/89/88/585448988.db2.gz HZSAFBIZGUYMMS-NXIHDVOMSA-N 0 3 248.197 3.960 20 0 BHADHN Cl/C=C(/Cl)CN1CCC[C@H]1C1CCCC1 ZINC000763492397 585448970 /nfs/dbraw/zinc/44/89/70/585448970.db2.gz HZSAFBIZGUYMMS-OBIHZWKSSA-N 0 3 248.197 3.960 20 0 BHADHN Cl/C=C(\Cl)CN1C2CCCC1CCC2 ZINC000763559686 585450372 /nfs/dbraw/zinc/45/03/72/585450372.db2.gz QIDGLMUWQUQZOL-CLFYSBASSA-N 0 3 234.170 3.712 20 0 BHADHN Cl/C=C(/Cl)CN1C2CCCC1CCC2 ZINC000763559687 585450180 /nfs/dbraw/zinc/45/01/80/585450180.db2.gz QIDGLMUWQUQZOL-VQHVLOKHSA-N 0 3 234.170 3.712 20 0 BHADHN Cl/C=C(\Cl)CN1CCC2(CCCC2)CC1 ZINC000763563006 585450659 /nfs/dbraw/zinc/45/06/59/585450659.db2.gz ZUUKNGPSKQQZOE-LUAWRHEFSA-N 0 3 248.197 3.962 20 0 BHADHN Cl/C=C(/Cl)CN1CCC2(CCCC2)CC1 ZINC000763563009 585450646 /nfs/dbraw/zinc/45/06/46/585450646.db2.gz ZUUKNGPSKQQZOE-PKNBQFBNSA-N 0 3 248.197 3.962 20 0 BHADHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C/C(Cl)=C/Cl ZINC000763564861 585451083 /nfs/dbraw/zinc/45/10/83/585451083.db2.gz XCLASVPZSIIFAQ-AUNDHUFDSA-N 0 3 248.197 3.958 20 0 BHADHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C/C(Cl)=C\Cl ZINC000763564865 585450994 /nfs/dbraw/zinc/45/09/94/585450994.db2.gz XCLASVPZSIIFAQ-LRFOQYRPSA-N 0 3 248.197 3.958 20 0 BHADHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C/C(Cl)=C\Cl ZINC000763564866 585451041 /nfs/dbraw/zinc/45/10/41/585451041.db2.gz XCLASVPZSIIFAQ-OPUTXYDFSA-N 0 3 248.197 3.958 20 0 BHADHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C/C(Cl)=C/Cl ZINC000763564870 585451144 /nfs/dbraw/zinc/45/11/44/585451144.db2.gz XCLASVPZSIIFAQ-ZBFSUVIJSA-N 0 3 248.197 3.958 20 0 BHADHN CC(C)=CCN1Cc2ccccc2[C@H](C)C1 ZINC000763619436 585451300 /nfs/dbraw/zinc/45/13/00/585451300.db2.gz WSBJFNNNOIMINN-CYBMUJFWSA-N 0 3 215.340 3.572 20 0 BHADHN CC(C)=CCN1Cc2ccccc2[C@@H](C)C1 ZINC000763619437 585451230 /nfs/dbraw/zinc/45/12/30/585451230.db2.gz WSBJFNNNOIMINN-ZDUSSCGKSA-N 0 3 215.340 3.572 20 0 BHADHN CCc1ccc([C@H](C)N[C@H](C)Cc2ccco2)o1 ZINC000764772228 585473132 /nfs/dbraw/zinc/47/31/32/585473132.db2.gz ZRHPKOUWNVLQMK-NEPJUHHUSA-N 0 3 247.338 3.717 20 0 BHADHN CCc1ccc([C@@H](C)N[C@@H](C)Cc2ccco2)o1 ZINC000764772229 585472956 /nfs/dbraw/zinc/47/29/56/585472956.db2.gz ZRHPKOUWNVLQMK-NWDGAFQWSA-N 0 3 247.338 3.717 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H](C)Cc2ccco2)o1 ZINC000764772231 585473039 /nfs/dbraw/zinc/47/30/39/585473039.db2.gz ZRHPKOUWNVLQMK-RYUDHWBXSA-N 0 3 247.338 3.717 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H](C)Cc2ccco2)o1 ZINC000764772232 585473136 /nfs/dbraw/zinc/47/31/36/585473136.db2.gz ZRHPKOUWNVLQMK-VXGBXAGGSA-N 0 3 247.338 3.717 20 0 BHADHN C[C@H](NC[C@@H](C)c1cccc(F)c1)c1ccco1 ZINC000765360900 585484171 /nfs/dbraw/zinc/48/41/71/585484171.db2.gz SWXNEXUGHPOVRM-NEPJUHHUSA-N 0 3 247.313 3.873 20 0 BHADHN C[C@@H](NC[C@H](C)c1cccc(F)c1)c1ccco1 ZINC000765360906 585484133 /nfs/dbraw/zinc/48/41/33/585484133.db2.gz SWXNEXUGHPOVRM-NWDGAFQWSA-N 0 3 247.313 3.873 20 0 BHADHN C[C@@H](CN[C@@H](C)c1ccco1)c1cccc(F)c1 ZINC000765360912 585484192 /nfs/dbraw/zinc/48/41/92/585484192.db2.gz SWXNEXUGHPOVRM-RYUDHWBXSA-N 0 3 247.313 3.873 20 0 BHADHN C[C@@H](NC[C@@H](C)c1cccc(F)c1)c1ccco1 ZINC000765360916 584937074 /nfs/dbraw/zinc/93/70/74/584937074.db2.gz SWXNEXUGHPOVRM-VXGBXAGGSA-N 0 3 247.313 3.873 20 0 BHADHN COc1ccc2c(c1)nccc2NC1CCCC1 ZINC000765450696 585486748 /nfs/dbraw/zinc/48/67/48/585486748.db2.gz RCLBLXHTSOXEHK-UHFFFAOYSA-N 0 3 242.322 3.598 20 0 BHADHN Cc1ccc(CN2CCC(CC(C)C)CC2)cn1 ZINC000765591553 585490960 /nfs/dbraw/zinc/49/09/60/585490960.db2.gz XRQFFWYSHHUXEZ-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CCC(CC)c1cc(CNC2CCCC2)on1 ZINC000766192707 585498810 /nfs/dbraw/zinc/49/88/10/585498810.db2.gz IWJXDVOJISNHNS-UHFFFAOYSA-N 0 3 236.359 3.610 20 0 BHADHN C[C@@H](NCCNc1ccccc1)c1ccsc1 ZINC000766516923 585503744 /nfs/dbraw/zinc/50/37/44/585503744.db2.gz YTVHENHLHZJSDD-GFCCVEGCSA-N 0 3 246.379 3.511 20 0 BHADHN C[C@H](NCCNc1ccccc1)c1ccsc1 ZINC000766516925 585503708 /nfs/dbraw/zinc/50/37/08/585503708.db2.gz YTVHENHLHZJSDD-LBPRGKRZSA-N 0 3 246.379 3.511 20 0 BHADHN Cc1cc(CN[C@H]2CCc3ccccc32)c(C)o1 ZINC000767347054 585517146 /nfs/dbraw/zinc/51/71/46/585517146.db2.gz NSCHILIYGLHIGR-INIZCTEOSA-N 0 3 241.334 3.674 20 0 BHADHN Cc1cc(CN[C@@H]2CCc3ccccc32)c(C)o1 ZINC000767347061 585517028 /nfs/dbraw/zinc/51/70/28/585517028.db2.gz NSCHILIYGLHIGR-MRXNPFEDSA-N 0 3 241.334 3.674 20 0 BHADHN Cc1cc(CNC(C)(C)c2ccccc2)c(C)o1 ZINC000767349429 585517021 /nfs/dbraw/zinc/51/70/21/585517021.db2.gz TWZBQBOOQLQYQW-UHFFFAOYSA-N 0 3 243.350 3.921 20 0 BHADHN Cc1cc(CNC(C)(C)c2cccs2)c(C)o1 ZINC000767369406 585518171 /nfs/dbraw/zinc/51/81/71/585518171.db2.gz CTXGUHZLWFWEFW-UHFFFAOYSA-N 0 3 249.379 3.983 20 0 BHADHN Cc1cc(CN[C@@H]2CCCC(F)(F)C2)c(C)o1 ZINC000767381582 585518854 /nfs/dbraw/zinc/51/88/54/585518854.db2.gz DUXNVGLRUFFAAG-GFCCVEGCSA-N 0 3 243.297 3.564 20 0 BHADHN Cc1cc(CN[C@H]2CCCC(F)(F)C2)c(C)o1 ZINC000767381598 585518712 /nfs/dbraw/zinc/51/87/12/585518712.db2.gz DUXNVGLRUFFAAG-LBPRGKRZSA-N 0 3 243.297 3.564 20 0 BHADHN Cc1cc(CNc2cc(C)cc(C)n2)c(C)o1 ZINC000767392512 585519046 /nfs/dbraw/zinc/51/90/46/585519046.db2.gz KEMVRPDOMVBKQP-UHFFFAOYSA-N 0 3 230.311 3.520 20 0 BHADHN CC[C@@H]1Cc2ccccc2CN1C/C=C\Cl ZINC000767880006 585527323 /nfs/dbraw/zinc/52/73/23/585527323.db2.gz BNYKOSJBGVZLCN-BMWLXYDHSA-N 0 3 235.758 3.576 20 0 BHADHN CC[C@H]1Cc2ccccc2CN1C/C=C/Cl ZINC000767880034 585527153 /nfs/dbraw/zinc/52/71/53/585527153.db2.gz BNYKOSJBGVZLCN-GPAKFWEMSA-N 0 3 235.758 3.576 20 0 BHADHN CC[C@@H]1Cc2ccccc2CN1C/C=C/Cl ZINC000767880037 585527191 /nfs/dbraw/zinc/52/71/91/585527191.db2.gz BNYKOSJBGVZLCN-LHRNQBEKSA-N 0 3 235.758 3.576 20 0 BHADHN CC[C@H]1Cc2ccccc2CN1C/C=C\Cl ZINC000767880042 585527374 /nfs/dbraw/zinc/52/73/74/585527374.db2.gz BNYKOSJBGVZLCN-PODYEWJSSA-N 0 3 235.758 3.576 20 0 BHADHN Cl/C=C/CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000767891892 585527533 /nfs/dbraw/zinc/52/75/33/585527533.db2.gz UFLMOKMEDHBPEO-GMLHSMKSSA-N 0 3 247.769 3.891 20 0 BHADHN Cl/C=C\CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000767891894 585527627 /nfs/dbraw/zinc/52/76/27/585527627.db2.gz UFLMOKMEDHBPEO-ICSVTGKESA-N 0 3 247.769 3.891 20 0 BHADHN Cl/C=C\CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000767891895 585527581 /nfs/dbraw/zinc/52/75/81/585527581.db2.gz UFLMOKMEDHBPEO-ITOFIOBYSA-N 0 3 247.769 3.891 20 0 BHADHN Cl/C=C/CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000767891896 585527536 /nfs/dbraw/zinc/52/75/36/585527536.db2.gz UFLMOKMEDHBPEO-RDJHCISDSA-N 0 3 247.769 3.891 20 0 BHADHN CCCCC[C@H]1CCCN1C/C=C/Cl ZINC000767906923 585528310 /nfs/dbraw/zinc/52/83/10/585528310.db2.gz PGRLTXMCKLFEFN-LZGFCCKTSA-N 0 3 215.768 3.784 20 0 BHADHN CCCCC[C@@H]1CCCN1C/C=C\Cl ZINC000767906927 585528122 /nfs/dbraw/zinc/52/81/22/585528122.db2.gz PGRLTXMCKLFEFN-OJIASSBASA-N 0 3 215.768 3.784 20 0 BHADHN CCCCC[C@H]1CCCN1C/C=C\Cl ZINC000767906929 585528267 /nfs/dbraw/zinc/52/82/67/585528267.db2.gz PGRLTXMCKLFEFN-PWWFUAJNSA-N 0 3 215.768 3.784 20 0 BHADHN CCCCC[C@@H]1CCCN1C/C=C/Cl ZINC000767906931 585528259 /nfs/dbraw/zinc/52/82/59/585528259.db2.gz PGRLTXMCKLFEFN-UVMWJGKXSA-N 0 3 215.768 3.784 20 0 BHADHN C[C@]1(Cc2ccccc2)CCCN1C/C=C\Cl ZINC000767936071 585528597 /nfs/dbraw/zinc/52/85/97/585528597.db2.gz PAOHQBHUDNJQHC-IZIDJEDMSA-N 0 3 249.785 3.836 20 0 BHADHN C[C@@]1(Cc2ccccc2)CCCN1C/C=C\Cl ZINC000767936072 585528462 /nfs/dbraw/zinc/52/84/62/585528462.db2.gz PAOHQBHUDNJQHC-MLBQELRYSA-N 0 3 249.785 3.836 20 0 BHADHN C[C@]1(Cc2ccccc2)CCCN1C/C=C/Cl ZINC000767936073 585528569 /nfs/dbraw/zinc/52/85/69/585528569.db2.gz PAOHQBHUDNJQHC-WCLQSUPFSA-N 0 3 249.785 3.836 20 0 BHADHN C[C@@]1(Cc2ccccc2)CCCN1C/C=C/Cl ZINC000767936074 585528390 /nfs/dbraw/zinc/52/83/90/585528390.db2.gz PAOHQBHUDNJQHC-WGPYJDKQSA-N 0 3 249.785 3.836 20 0 BHADHN CCN(Cc1cc(C)oc1C)Cc1ccccc1 ZINC000768140075 585532902 /nfs/dbraw/zinc/53/29/02/585532902.db2.gz ARTUWXODXPRWLE-UHFFFAOYSA-N 0 3 243.350 3.919 20 0 BHADHN Clc1ccc(CN2CCCCCCC2)o1 ZINC000768144594 585533223 /nfs/dbraw/zinc/53/32/23/585533223.db2.gz VLZZJQAATXFICU-UHFFFAOYSA-N 0 3 227.735 3.699 20 0 BHADHN CCCCN(CC)Cc1cc(C)oc1C ZINC000768145346 585533078 /nfs/dbraw/zinc/53/30/78/585533078.db2.gz YVJOGCJOIMZWEX-UHFFFAOYSA-N 0 3 209.333 3.518 20 0 BHADHN CCCN(Cc1ccoc1)Cc1ccccc1 ZINC000768160781 585533121 /nfs/dbraw/zinc/53/31/21/585533121.db2.gz PQCXIMYYORDHAQ-UHFFFAOYSA-N 0 3 229.323 3.692 20 0 BHADHN Cc1ccoc1CN1Cc2ccccc2[C@H](C)C1 ZINC000768194537 585533639 /nfs/dbraw/zinc/53/36/39/585533639.db2.gz AGWMAJLBWWSWPX-CYBMUJFWSA-N 0 3 241.334 3.707 20 0 BHADHN Cc1ccoc1CN1Cc2ccccc2[C@@H](C)C1 ZINC000768194538 585533667 /nfs/dbraw/zinc/53/36/67/585533667.db2.gz AGWMAJLBWWSWPX-ZDUSSCGKSA-N 0 3 241.334 3.707 20 0 BHADHN c1csc([C@H]2CCCN2Cc2ccoc2)c1 ZINC000768194586 585533745 /nfs/dbraw/zinc/53/37/45/585533745.db2.gz BVPVATZOOBCELR-GFCCVEGCSA-N 0 3 233.336 3.678 20 0 BHADHN c1csc([C@@H]2CCCN2Cc2ccoc2)c1 ZINC000768194587 585533883 /nfs/dbraw/zinc/53/38/83/585533883.db2.gz BVPVATZOOBCELR-LBPRGKRZSA-N 0 3 233.336 3.678 20 0 BHADHN C[C@@H]1CN(Cc2ccsc2)Cc2ccccc21 ZINC000768194821 585533794 /nfs/dbraw/zinc/53/37/94/585533794.db2.gz FKTIOEHLTXIZMD-GFCCVEGCSA-N 0 3 243.375 3.867 20 0 BHADHN C[C@H]1CN(Cc2ccsc2)Cc2ccccc21 ZINC000768194822 585533692 /nfs/dbraw/zinc/53/36/92/585533692.db2.gz FKTIOEHLTXIZMD-LBPRGKRZSA-N 0 3 243.375 3.867 20 0 BHADHN Cc1ccc(CN2Cc3ccccc3[C@H](C)C2)o1 ZINC000768194995 585533879 /nfs/dbraw/zinc/53/38/79/585533879.db2.gz IFFICGDGLLXAIZ-GFCCVEGCSA-N 0 3 241.334 3.707 20 0 BHADHN Cc1ccc(CN2Cc3ccccc3[C@@H](C)C2)o1 ZINC000768194996 585533910 /nfs/dbraw/zinc/53/39/10/585533910.db2.gz IFFICGDGLLXAIZ-LBPRGKRZSA-N 0 3 241.334 3.707 20 0 BHADHN c1cc(CN2CCC[C@H]2c2ccccc2)co1 ZINC000768224176 585534147 /nfs/dbraw/zinc/53/41/47/585534147.db2.gz VGXLZQQRSRKBAM-HNNXBMFYSA-N 0 3 227.307 3.617 20 0 BHADHN c1cc(CN2CCC[C@@H]2c2ccccc2)co1 ZINC000768224177 585533968 /nfs/dbraw/zinc/53/39/68/585533968.db2.gz VGXLZQQRSRKBAM-OAHLLOKOSA-N 0 3 227.307 3.617 20 0 BHADHN c1cc(CN2CCC(c3ccccc3)CC2)co1 ZINC000768232498 585534398 /nfs/dbraw/zinc/53/43/98/585534398.db2.gz BTVHNQYHZDCDJG-UHFFFAOYSA-N 0 3 241.334 3.659 20 0 BHADHN Cc1ccc([C@@H]2CCCN2Cc2ccoc2)cc1 ZINC000768238228 585534290 /nfs/dbraw/zinc/53/42/90/585534290.db2.gz XLJCYPBVWGZYDI-INIZCTEOSA-N 0 3 241.334 3.925 20 0 BHADHN Cc1ccc([C@H]2CCCN2Cc2ccoc2)cc1 ZINC000768238230 585534371 /nfs/dbraw/zinc/53/43/71/585534371.db2.gz XLJCYPBVWGZYDI-MRXNPFEDSA-N 0 3 241.334 3.925 20 0 BHADHN CCN(C)Cc1ccc(SC(F)(F)F)cc1 ZINC000768238379 585534381 /nfs/dbraw/zinc/53/43/81/585534381.db2.gz YYKMLAAYYSEOBF-UHFFFAOYSA-N 0 3 249.301 3.750 20 0 BHADHN Cc1ccc([C@@H](C)N(C)Cc2ccoc2)cc1 ZINC000768261457 585534614 /nfs/dbraw/zinc/53/46/14/585534614.db2.gz CYWYTLKOJZQUEY-CYBMUJFWSA-N 0 3 229.323 3.781 20 0 BHADHN Cc1ccc([C@H](C)N(C)Cc2ccoc2)cc1 ZINC000768261459 585534679 /nfs/dbraw/zinc/53/46/79/585534679.db2.gz CYWYTLKOJZQUEY-ZDUSSCGKSA-N 0 3 229.323 3.781 20 0 BHADHN CC(C)CCN(C)Cc1cnc(C(C)C)s1 ZINC000768262221 585534897 /nfs/dbraw/zinc/53/48/97/585534897.db2.gz IBALMDLFUJGOGK-UHFFFAOYSA-N 0 3 240.416 3.744 20 0 BHADHN CCC1CCC(N(C)Cc2ccoc2)CC1 ZINC000768262354 585534727 /nfs/dbraw/zinc/53/47/27/585534727.db2.gz JDARTGHFVNFDMT-UHFFFAOYSA-N 0 3 221.344 3.680 20 0 BHADHN Cc1cc(CN(C)CCC(C)C)cnc1Cl ZINC000768263830 585534608 /nfs/dbraw/zinc/53/46/08/585534608.db2.gz WUVJLZOLTIFCIL-UHFFFAOYSA-N 0 3 240.778 3.521 20 0 BHADHN CCCCN(Cc1cc(C)oc1C)C1CC1 ZINC000768291994 585535457 /nfs/dbraw/zinc/53/54/57/585535457.db2.gz TWNXVDGMRCHMET-UHFFFAOYSA-N 0 3 221.344 3.661 20 0 BHADHN Cc1ccccc1[C@@H]1CCCN1Cc1ccoc1 ZINC000768318013 585535933 /nfs/dbraw/zinc/53/59/33/585535933.db2.gz IVZHLTOISUBYBQ-INIZCTEOSA-N 0 3 241.334 3.925 20 0 BHADHN Cc1ccccc1[C@H]1CCCN1Cc1ccoc1 ZINC000768318017 585535841 /nfs/dbraw/zinc/53/58/41/585535841.db2.gz IVZHLTOISUBYBQ-MRXNPFEDSA-N 0 3 241.334 3.925 20 0 BHADHN CC(C)C[C@@H]1CCCN1Cc1coc(C2CC2)n1 ZINC000768320466 585535820 /nfs/dbraw/zinc/53/58/20/585535820.db2.gz WIDUUPJXDURHLE-AWEZNQCLSA-N 0 3 248.370 3.563 20 0 BHADHN CC(C)C[C@H]1CCCN1Cc1coc(C2CC2)n1 ZINC000768320468 585535791 /nfs/dbraw/zinc/53/57/91/585535791.db2.gz WIDUUPJXDURHLE-CQSZACIVSA-N 0 3 248.370 3.563 20 0 BHADHN Cc1cccc([C@@H]2CCCN2Cc2ccoc2)c1 ZINC000768330466 585535897 /nfs/dbraw/zinc/53/58/97/585535897.db2.gz SRFFWJDNBFCUAX-INIZCTEOSA-N 0 3 241.334 3.925 20 0 BHADHN Cc1cccc([C@H]2CCCN2Cc2ccoc2)c1 ZINC000768330467 585535668 /nfs/dbraw/zinc/53/56/68/585535668.db2.gz SRFFWJDNBFCUAX-MRXNPFEDSA-N 0 3 241.334 3.925 20 0 BHADHN CCC[C@@H](C)N(C)Cc1cnc(Cl)c(C)c1 ZINC000768339962 585536186 /nfs/dbraw/zinc/53/61/86/585536186.db2.gz WWVQJWOVMZEGKI-LLVKDONJSA-N 0 3 240.778 3.664 20 0 BHADHN CCC[C@H](C)N(C)Cc1cnc(Cl)c(C)c1 ZINC000768339964 585536099 /nfs/dbraw/zinc/53/60/99/585536099.db2.gz WWVQJWOVMZEGKI-NSHDSACASA-N 0 3 240.778 3.664 20 0 BHADHN CCC[C@H](C)N(C)Cc1cc(C)oc1C ZINC000768340043 585535979 /nfs/dbraw/zinc/53/59/79/585535979.db2.gz ZCSMKBGIZLAMBE-JTQLQIEISA-N 0 3 209.333 3.517 20 0 BHADHN CCC[C@@H](C)N(C)Cc1cc(C)oc1C ZINC000768340044 585535948 /nfs/dbraw/zinc/53/59/48/585535948.db2.gz ZCSMKBGIZLAMBE-SNVBAGLBSA-N 0 3 209.333 3.517 20 0 BHADHN CC(C)N(Cc1coc(C2CC2)n1)C1CCCC1 ZINC000768424063 585538384 /nfs/dbraw/zinc/53/83/84/585538384.db2.gz ALVHGFUEAJPGBI-UHFFFAOYSA-N 0 3 248.370 3.705 20 0 BHADHN CC1(C)CN(Cc2ccoc2)CC(C)(C)C1 ZINC000768531390 585539972 /nfs/dbraw/zinc/53/99/72/585539972.db2.gz DTKQUWWRVDZXGJ-UHFFFAOYSA-N 0 3 221.344 3.538 20 0 BHADHN CC[C@H]1Cc2ccccc2CN1Cc1ccoc1 ZINC000768531514 585539865 /nfs/dbraw/zinc/53/98/65/585539865.db2.gz YRZFXJVZZBRKRZ-INIZCTEOSA-N 0 3 241.334 3.617 20 0 BHADHN CC[C@@H]1Cc2ccccc2CN1Cc1ccoc1 ZINC000768531515 585539836 /nfs/dbraw/zinc/53/98/36/585539836.db2.gz YRZFXJVZZBRKRZ-MRXNPFEDSA-N 0 3 241.334 3.617 20 0 BHADHN Cc1cc(CN(CC(C)C)C2CC2)c(C)o1 ZINC000768532891 585540163 /nfs/dbraw/zinc/54/01/63/585540163.db2.gz QGAFRFGSVUYVSZ-UHFFFAOYSA-N 0 3 221.344 3.517 20 0 BHADHN CC(C)CN(Cc1ccoc1)Cc1ccccc1 ZINC000768670259 585541702 /nfs/dbraw/zinc/54/17/02/585541702.db2.gz OYLOWUQBAORGSX-UHFFFAOYSA-N 0 3 243.350 3.938 20 0 BHADHN CC[C@H](C)CN(C)Cc1cnc(Cl)c(C)c1 ZINC000768765311 585542712 /nfs/dbraw/zinc/54/27/12/585542712.db2.gz DCOPEMZOMPSMEI-JTQLQIEISA-N 0 3 240.778 3.521 20 0 BHADHN CC[C@@H](C)CN(C)Cc1cnc(Cl)c(C)c1 ZINC000768765312 585542978 /nfs/dbraw/zinc/54/29/78/585542978.db2.gz DCOPEMZOMPSMEI-SNVBAGLBSA-N 0 3 240.778 3.521 20 0 BHADHN c1cc(CN(CC2CCCCC2)C2CC2)co1 ZINC000768920379 585545986 /nfs/dbraw/zinc/54/59/86/585545986.db2.gz OECWIDNTBANEIL-UHFFFAOYSA-N 0 3 233.355 3.824 20 0 BHADHN CCC1CCN(Cc2cc(C)oc2C)CC1 ZINC000768931520 585546122 /nfs/dbraw/zinc/54/61/22/585546122.db2.gz MXIIDRIMGLHLHC-UHFFFAOYSA-N 0 3 221.344 3.518 20 0 BHADHN Cc1cc(CN(C)CC(C)(C)C)cnc1Cl ZINC000768937269 585545979 /nfs/dbraw/zinc/54/59/79/585545979.db2.gz OFXMTQQCBYWULQ-UHFFFAOYSA-N 0 3 240.778 3.521 20 0 BHADHN CC(C)(C)C1CCN(Cc2ccoc2)CC1 ZINC000769208655 585550872 /nfs/dbraw/zinc/55/08/72/585550872.db2.gz OYQNFMVKBLLAAL-UHFFFAOYSA-N 0 3 221.344 3.538 20 0 BHADHN CN(Cc1ccoc1)C1CCC(C)(C)CC1 ZINC000769299532 585552890 /nfs/dbraw/zinc/55/28/90/585552890.db2.gz QVAIXAYIIQOMLS-UHFFFAOYSA-N 0 3 221.344 3.680 20 0 BHADHN Cc1cc(CN2CCC(C)(C)CC2)c(C)o1 ZINC000769307246 585553372 /nfs/dbraw/zinc/55/33/72/585553372.db2.gz FYPRDUPZORZIGH-UHFFFAOYSA-N 0 3 221.344 3.518 20 0 BHADHN c1cc(CN2CCC3(CCCCC3)CC2)co1 ZINC000769314300 585553455 /nfs/dbraw/zinc/55/34/55/585553455.db2.gz XFHUOLHJOMQAQJ-UHFFFAOYSA-N 0 3 233.355 3.826 20 0 BHADHN CCc1ccc(CN2CCC3(CCCC3)C2)o1 ZINC000769402235 585555763 /nfs/dbraw/zinc/55/57/63/585555763.db2.gz GAPXPCNWBKRWKV-UHFFFAOYSA-N 0 3 233.355 3.608 20 0 BHADHN c1cc(CN2CCCC3(CCCCC3)C2)co1 ZINC000769405463 585555716 /nfs/dbraw/zinc/55/57/16/585555716.db2.gz WAYAODYTKCNMBS-UHFFFAOYSA-N 0 3 233.355 3.826 20 0 BHADHN CC(C)[C@H]1CCCN(Cc2ccoc2)CC1 ZINC000769427865 585556101 /nfs/dbraw/zinc/55/61/01/585556101.db2.gz QAKSSAZNZRQYSO-AWEZNQCLSA-N 0 3 221.344 3.538 20 0 BHADHN CC(C)[C@@H]1CCCN(Cc2ccoc2)CC1 ZINC000769428353 585556376 /nfs/dbraw/zinc/55/63/76/585556376.db2.gz QAKSSAZNZRQYSO-CQSZACIVSA-N 0 3 221.344 3.538 20 0 BHADHN CC[C@H]1c2ccccc2CCN1Cc1ccoc1 ZINC000769429080 585556528 /nfs/dbraw/zinc/55/65/28/585556528.db2.gz ZZRLVORATMMXRH-INIZCTEOSA-N 0 3 241.334 3.789 20 0 BHADHN CC[C@@H]1c2ccccc2CCN1Cc1ccoc1 ZINC000769429081 585556305 /nfs/dbraw/zinc/55/63/05/585556305.db2.gz ZZRLVORATMMXRH-MRXNPFEDSA-N 0 3 241.334 3.789 20 0 BHADHN CC1(C)CCN1Cc1cc2ccccc2s1 ZINC000769446554 585556610 /nfs/dbraw/zinc/55/66/10/585556610.db2.gz RIQKAMWSCYBXDM-UHFFFAOYSA-N 0 3 231.364 3.886 20 0 BHADHN CCC[C@@]1(C)CCCN(Cc2ccoc2)C1 ZINC000769451802 585557193 /nfs/dbraw/zinc/55/71/93/585557193.db2.gz OGGFAXIZFWNENW-AWEZNQCLSA-N 0 3 221.344 3.682 20 0 BHADHN CCC[C@]1(C)CCCN(Cc2ccoc2)C1 ZINC000769451805 585557354 /nfs/dbraw/zinc/55/73/54/585557354.db2.gz OGGFAXIZFWNENW-CQSZACIVSA-N 0 3 221.344 3.682 20 0 BHADHN Cc1ccc(C[C@H](C)N(C)Cc2ccoc2)cc1 ZINC000769462609 585557475 /nfs/dbraw/zinc/55/74/75/585557475.db2.gz ISLJYFOSEIZOMC-AWEZNQCLSA-N 0 3 243.350 3.651 20 0 BHADHN Cc1ccc(C[C@@H](C)N(C)Cc2ccoc2)cc1 ZINC000769462611 585557403 /nfs/dbraw/zinc/55/74/03/585557403.db2.gz ISLJYFOSEIZOMC-CQSZACIVSA-N 0 3 243.350 3.651 20 0 BHADHN c1cc(CN2CCC(C3CCCC3)CC2)co1 ZINC000769502378 585558433 /nfs/dbraw/zinc/55/84/33/585558433.db2.gz MEWIZSVORHDDRI-UHFFFAOYSA-N 0 3 233.355 3.682 20 0 BHADHN CC(C)C[C@H]1CCCN(Cc2ccoc2)C1 ZINC000769506442 585558320 /nfs/dbraw/zinc/55/83/20/585558320.db2.gz SSMQVQWLFICWBE-CYBMUJFWSA-N 0 3 221.344 3.538 20 0 BHADHN CC(C)C[C@@H]1CCCN(Cc2ccoc2)C1 ZINC000769506444 585558342 /nfs/dbraw/zinc/55/83/42/585558342.db2.gz SSMQVQWLFICWBE-ZDUSSCGKSA-N 0 3 221.344 3.538 20 0 BHADHN Cc1cc(CNCCCc2cccs2)c(C)o1 ZINC000769690232 585561798 /nfs/dbraw/zinc/56/17/98/585561798.db2.gz ODXNWVPAADYBQE-UHFFFAOYSA-N 0 3 249.379 3.680 20 0 BHADHN CCCCCCN[C@H](C)c1c(CC)noc1C ZINC000769858869 585565633 /nfs/dbraw/zinc/56/56/33/585565633.db2.gz BQHQOHOAIDEPEP-LLVKDONJSA-N 0 3 238.375 3.776 20 0 BHADHN CCCCCCN[C@@H](C)c1c(CC)noc1C ZINC000769858871 585565564 /nfs/dbraw/zinc/56/55/64/585565564.db2.gz BQHQOHOAIDEPEP-NSHDSACASA-N 0 3 238.375 3.776 20 0 BHADHN CCc1noc(C)c1[C@H](C)NC1CCCCC1 ZINC000769860330 585565566 /nfs/dbraw/zinc/56/55/66/585565566.db2.gz KCWFAGLCYKBSNI-JTQLQIEISA-N 0 3 236.359 3.529 20 0 BHADHN CCc1noc(C)c1[C@@H](C)NC1CCCCC1 ZINC000769860331 585565532 /nfs/dbraw/zinc/56/55/32/585565532.db2.gz KCWFAGLCYKBSNI-SNVBAGLBSA-N 0 3 236.359 3.529 20 0 BHADHN CCc1noc(C)c1[C@@H](C)NCCCC(C)C ZINC000769871075 585565388 /nfs/dbraw/zinc/56/53/88/585565388.db2.gz XNHIFYINYPUVKS-LLVKDONJSA-N 0 3 238.375 3.632 20 0 BHADHN CCc1noc(C)c1[C@H](C)NCCCC(C)C ZINC000769871082 585565602 /nfs/dbraw/zinc/56/56/02/585565602.db2.gz XNHIFYINYPUVKS-NSHDSACASA-N 0 3 238.375 3.632 20 0 BHADHN CCc1noc(C)c1[C@H](C)NCCC(C)(C)C ZINC000769872014 585565865 /nfs/dbraw/zinc/56/58/65/585565865.db2.gz DMDDHFFWJIZQFF-JTQLQIEISA-N 0 3 238.375 3.632 20 0 BHADHN CCc1noc(C)c1[C@@H](C)NCCC(C)(C)C ZINC000769872015 585565768 /nfs/dbraw/zinc/56/57/68/585565768.db2.gz DMDDHFFWJIZQFF-SNVBAGLBSA-N 0 3 238.375 3.632 20 0 BHADHN CCc1noc(C)c1[C@H](C)NCC(CC)CC ZINC000769875822 585565932 /nfs/dbraw/zinc/56/59/32/585565932.db2.gz XIOAEWGODKRRNC-JTQLQIEISA-N 0 3 238.375 3.632 20 0 BHADHN CCc1noc(C)c1[C@@H](C)NCC(CC)CC ZINC000769875824 585565927 /nfs/dbraw/zinc/56/59/27/585565927.db2.gz XIOAEWGODKRRNC-SNVBAGLBSA-N 0 3 238.375 3.632 20 0 BHADHN Cc1ncccc1CN1CCC(CC(C)C)CC1 ZINC000770349289 585573158 /nfs/dbraw/zinc/57/31/58/585573158.db2.gz FVSRSQDNNGQMPF-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN CC(C)CC1CCN(Cc2ccco2)CC1 ZINC000770350428 585572943 /nfs/dbraw/zinc/57/29/43/585572943.db2.gz IMLRYKXSFSMLBK-UHFFFAOYSA-N 0 3 221.344 3.538 20 0 BHADHN CC(C)CC1CCN(Cc2ccoc2)CC1 ZINC000770351326 585573225 /nfs/dbraw/zinc/57/32/25/585573225.db2.gz KGNZYXAUNSDOIJ-UHFFFAOYSA-N 0 3 221.344 3.538 20 0 BHADHN CC(C)CC1CCN(Cc2cccc(O)c2)CC1 ZINC000770356632 585573129 /nfs/dbraw/zinc/57/31/29/585573129.db2.gz ZUOAIDHDQAECTA-UHFFFAOYSA-N 0 3 247.382 3.650 20 0 BHADHN CC(C)C[C@@H](C)N1CCc2c(F)cccc2C1 ZINC000770509497 585575282 /nfs/dbraw/zinc/57/52/82/585575282.db2.gz BMKVJVMUUUJBAA-GFCCVEGCSA-N 0 3 235.346 3.618 20 0 BHADHN CC(C)C[C@H](C)N1CCc2c(F)cccc2C1 ZINC000770509498 585575382 /nfs/dbraw/zinc/57/53/82/585575382.db2.gz BMKVJVMUUUJBAA-LBPRGKRZSA-N 0 3 235.346 3.618 20 0 BHADHN CC(C)N(Cc1ccoc1)Cc1ccccc1 ZINC000771924832 585604794 /nfs/dbraw/zinc/60/47/94/585604794.db2.gz QLIFJTGCFDYNFQ-UHFFFAOYSA-N 0 3 229.323 3.690 20 0 BHADHN CC(=O)CCN(Cc1ccccc1)CC(C)(C)C ZINC000772746679 585622710 /nfs/dbraw/zinc/62/27/10/585622710.db2.gz FPNREKFTNJDBSP-UHFFFAOYSA-N 0 3 247.382 3.514 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@@H]1COc2ccccc21 ZINC000772954832 585628142 /nfs/dbraw/zinc/62/81/42/585628142.db2.gz PMLJARRHXLBYQS-DZGCQCFKSA-N 0 3 245.366 3.845 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@H]1COc2ccccc21 ZINC000772954834 585628173 /nfs/dbraw/zinc/62/81/73/585628173.db2.gz PMLJARRHXLBYQS-HIFRSBDPSA-N 0 3 245.366 3.845 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@@H]1COc2ccccc21 ZINC000772954836 585628163 /nfs/dbraw/zinc/62/81/63/585628163.db2.gz PMLJARRHXLBYQS-UKRRQHHQSA-N 0 3 245.366 3.845 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@H]1COc2ccccc21 ZINC000772954838 585628343 /nfs/dbraw/zinc/62/83/43/585628343.db2.gz PMLJARRHXLBYQS-ZFWWWQNUSA-N 0 3 245.366 3.845 20 0 BHADHN CC[C@@H](N[C@H]1C=CCCC1)c1ccccc1OC ZINC000773039190 585629886 /nfs/dbraw/zinc/62/98/86/585629886.db2.gz CZMIEOMSKXHMIP-DZGCQCFKSA-N 0 3 245.366 3.845 20 0 BHADHN CC[C@H](N[C@@H]1C=CCCC1)c1ccccc1OC ZINC000773039193 585629941 /nfs/dbraw/zinc/62/99/41/585629941.db2.gz CZMIEOMSKXHMIP-HIFRSBDPSA-N 0 3 245.366 3.845 20 0 BHADHN CC[C@@H](N[C@@H]1C=CCCC1)c1ccccc1OC ZINC000773039195 585629949 /nfs/dbraw/zinc/62/99/49/585629949.db2.gz CZMIEOMSKXHMIP-UKRRQHHQSA-N 0 3 245.366 3.845 20 0 BHADHN CC[C@H](N[C@H]1C=CCCC1)c1ccccc1OC ZINC000773039196 585629966 /nfs/dbraw/zinc/62/99/66/585629966.db2.gz CZMIEOMSKXHMIP-ZFWWWQNUSA-N 0 3 245.366 3.845 20 0 BHADHN CCCCCC[C@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000773065747 585630362 /nfs/dbraw/zinc/63/03/62/585630362.db2.gz QTNKIOODXJHULC-GXTWGEPZSA-N 0 3 249.402 3.736 20 0 BHADHN CCCCCC[C@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000773065748 585630356 /nfs/dbraw/zinc/63/03/56/585630356.db2.gz QTNKIOODXJHULC-JSGCOSHPSA-N 0 3 249.402 3.736 20 0 BHADHN CCCCCC[C@@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000773065749 585630339 /nfs/dbraw/zinc/63/03/39/585630339.db2.gz QTNKIOODXJHULC-OCCSQVGLSA-N 0 3 249.402 3.736 20 0 BHADHN CCCCCC[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000773065750 585630450 /nfs/dbraw/zinc/63/04/50/585630450.db2.gz QTNKIOODXJHULC-TZMCWYRMSA-N 0 3 249.402 3.736 20 0 BHADHN Cc1cccc(C)c1CN[C@H](C)c1ccoc1 ZINC000773067797 585630681 /nfs/dbraw/zinc/63/06/81/585630681.db2.gz KWYIHPBUQCJKEL-CYBMUJFWSA-N 0 3 229.323 3.747 20 0 BHADHN Cc1cccc(C)c1CN[C@@H](C)c1ccoc1 ZINC000773067800 585630631 /nfs/dbraw/zinc/63/06/31/585630631.db2.gz KWYIHPBUQCJKEL-ZDUSSCGKSA-N 0 3 229.323 3.747 20 0 BHADHN Cc1cccc(C)c1CN[C@H](C)c1cncs1 ZINC000773069101 585630670 /nfs/dbraw/zinc/63/06/70/585630670.db2.gz QJBXFZCULQLSOK-GFCCVEGCSA-N 0 3 246.379 3.611 20 0 BHADHN Cc1cccc(C)c1CN[C@@H](C)c1cncs1 ZINC000773069105 585630554 /nfs/dbraw/zinc/63/05/54/585630554.db2.gz QJBXFZCULQLSOK-LBPRGKRZSA-N 0 3 246.379 3.611 20 0 BHADHN CC(C)CCC[C@@H](C)NCc1cccc(F)n1 ZINC000773089389 585631014 /nfs/dbraw/zinc/63/10/14/585631014.db2.gz QGRSMWJRXZWGSO-GFCCVEGCSA-N 0 3 238.350 3.525 20 0 BHADHN CC(C)CCC[C@H](C)NCc1cccc(F)n1 ZINC000773089391 585631272 /nfs/dbraw/zinc/63/12/72/585631272.db2.gz QGRSMWJRXZWGSO-LBPRGKRZSA-N 0 3 238.350 3.525 20 0 BHADHN CCCCCC[C@@H](C)NCc1cccc(F)n1 ZINC000773095229 585631463 /nfs/dbraw/zinc/63/14/63/585631463.db2.gz LIYHEKHGHQKBLO-GFCCVEGCSA-N 0 3 238.350 3.669 20 0 BHADHN CCCCCC[C@H](C)NCc1cccc(F)n1 ZINC000773095232 585631589 /nfs/dbraw/zinc/63/15/89/585631589.db2.gz LIYHEKHGHQKBLO-LBPRGKRZSA-N 0 3 238.350 3.669 20 0 BHADHN CC[C@@H](C)C[C@H](CC)NCc1cccc(F)n1 ZINC000773095983 585631561 /nfs/dbraw/zinc/63/15/61/585631561.db2.gz NHIDXFRNWBGSQN-NEPJUHHUSA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@H](C[C@@H](C)CC)NCc1cccc(F)n1 ZINC000773095986 585631541 /nfs/dbraw/zinc/63/15/41/585631541.db2.gz NHIDXFRNWBGSQN-NWDGAFQWSA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@H](C)C[C@H](CC)NCc1cccc(F)n1 ZINC000773095988 585631439 /nfs/dbraw/zinc/63/14/39/585631439.db2.gz NHIDXFRNWBGSQN-RYUDHWBXSA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@@H](C)C[C@@H](CC)NCc1cccc(F)n1 ZINC000773095992 585631545 /nfs/dbraw/zinc/63/15/45/585631545.db2.gz NHIDXFRNWBGSQN-VXGBXAGGSA-N 0 3 238.350 3.525 20 0 BHADHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc[nH]2)cc1 ZINC000773114037 585631760 /nfs/dbraw/zinc/63/17/60/585631760.db2.gz CGDYTYZLKFADON-CHWSQXEVSA-N 0 3 228.339 3.735 20 0 BHADHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000773114042 585631769 /nfs/dbraw/zinc/63/17/69/585631769.db2.gz CGDYTYZLKFADON-OLZOCXBDSA-N 0 3 228.339 3.735 20 0 BHADHN Cc1ccc([C@H](C)N[C@H](C)c2ccc[nH]2)cc1 ZINC000773114044 585631868 /nfs/dbraw/zinc/63/18/68/585631868.db2.gz CGDYTYZLKFADON-QWHCGFSZSA-N 0 3 228.339 3.735 20 0 BHADHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000773114050 585631698 /nfs/dbraw/zinc/63/16/98/585631698.db2.gz CGDYTYZLKFADON-STQMWFEESA-N 0 3 228.339 3.735 20 0 BHADHN C[C@H](N[C@H]1CCCc2sccc21)c1ccc[nH]1 ZINC000773114993 585631638 /nfs/dbraw/zinc/63/16/38/585631638.db2.gz DOKAXMXWIYLBPL-GWCFXTLKSA-N 0 3 246.379 3.804 20 0 BHADHN C[C@H](N[C@@H]1CCCc2sccc21)c1ccc[nH]1 ZINC000773114996 585631847 /nfs/dbraw/zinc/63/18/47/585631847.db2.gz DOKAXMXWIYLBPL-GXFFZTMASA-N 0 3 246.379 3.804 20 0 BHADHN C[C@@H](N[C@H]1CCCc2sccc21)c1ccc[nH]1 ZINC000773115000 585631864 /nfs/dbraw/zinc/63/18/64/585631864.db2.gz DOKAXMXWIYLBPL-MFKMUULPSA-N 0 3 246.379 3.804 20 0 BHADHN C[C@@H](N[C@@H]1CCCc2sccc21)c1ccc[nH]1 ZINC000773115004 585631857 /nfs/dbraw/zinc/63/18/57/585631857.db2.gz DOKAXMXWIYLBPL-ZWNOBZJWSA-N 0 3 246.379 3.804 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc[nH]1)CC2 ZINC000773117086 585631622 /nfs/dbraw/zinc/63/16/22/585631622.db2.gz JYWGYFUSZCWPAU-BLLLJJGKSA-N 0 3 240.350 3.661 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc[nH]1)CC2 ZINC000773117087 585631766 /nfs/dbraw/zinc/63/17/66/585631766.db2.gz JYWGYFUSZCWPAU-LRDDRELGSA-N 0 3 240.350 3.661 20 0 BHADHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc[nH]1)CC2 ZINC000773117089 585631716 /nfs/dbraw/zinc/63/17/16/585631716.db2.gz JYWGYFUSZCWPAU-MLGOLLRUSA-N 0 3 240.350 3.661 20 0 BHADHN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc[nH]1)CC2 ZINC000773117091 585631797 /nfs/dbraw/zinc/63/17/97/585631797.db2.gz JYWGYFUSZCWPAU-WBMJQRKESA-N 0 3 240.350 3.661 20 0 BHADHN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccc[nH]1 ZINC000773118150 585631688 /nfs/dbraw/zinc/63/16/88/585631688.db2.gz MSQPPICHTLUBKL-BLLLJJGKSA-N 0 3 240.350 3.661 20 0 BHADHN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccc[nH]1 ZINC000773118154 585631681 /nfs/dbraw/zinc/63/16/81/585631681.db2.gz MSQPPICHTLUBKL-LRDDRELGSA-N 0 3 240.350 3.661 20 0 BHADHN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccc[nH]1 ZINC000773118158 585631663 /nfs/dbraw/zinc/63/16/63/585631663.db2.gz MSQPPICHTLUBKL-MLGOLLRUSA-N 0 3 240.350 3.661 20 0 BHADHN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccc[nH]1 ZINC000773118162 585631650 /nfs/dbraw/zinc/63/16/50/585631650.db2.gz MSQPPICHTLUBKL-WBMJQRKESA-N 0 3 240.350 3.661 20 0 BHADHN CCc1ccc([C@@H](C)N[C@H](C)c2ccc[nH]2)cc1 ZINC000773119315 585631896 /nfs/dbraw/zinc/63/18/96/585631896.db2.gz ODGLJFXJRHNSDO-CHWSQXEVSA-N 0 3 242.366 3.989 20 0 BHADHN CCc1ccc([C@@H](C)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000773119317 585631708 /nfs/dbraw/zinc/63/17/08/585631708.db2.gz ODGLJFXJRHNSDO-OLZOCXBDSA-N 0 3 242.366 3.989 20 0 BHADHN CCc1ccc([C@H](C)N[C@H](C)c2ccc[nH]2)cc1 ZINC000773119321 585631696 /nfs/dbraw/zinc/63/16/96/585631696.db2.gz ODGLJFXJRHNSDO-QWHCGFSZSA-N 0 3 242.366 3.989 20 0 BHADHN CCc1ccc([C@H](C)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000773119334 585631874 /nfs/dbraw/zinc/63/18/74/585631874.db2.gz ODGLJFXJRHNSDO-STQMWFEESA-N 0 3 242.366 3.989 20 0 BHADHN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc[nH]1 ZINC000773123758 585632065 /nfs/dbraw/zinc/63/20/65/585632065.db2.gz VYEWOHTXTKIDCG-BLLLJJGKSA-N 0 3 240.350 3.661 20 0 BHADHN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc[nH]1 ZINC000773123760 585632054 /nfs/dbraw/zinc/63/20/54/585632054.db2.gz VYEWOHTXTKIDCG-LRDDRELGSA-N 0 3 240.350 3.661 20 0 BHADHN Cc1cccc2c1CC[C@H]2N[C@H](C)c1ccc[nH]1 ZINC000773123762 585631979 /nfs/dbraw/zinc/63/19/79/585631979.db2.gz VYEWOHTXTKIDCG-MLGOLLRUSA-N 0 3 240.350 3.661 20 0 BHADHN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc[nH]1 ZINC000773123763 585632189 /nfs/dbraw/zinc/63/21/89/585632189.db2.gz VYEWOHTXTKIDCG-WBMJQRKESA-N 0 3 240.350 3.661 20 0 BHADHN Cc1ccccc1C[C@@H](C)N(C)C/C=C\Cl ZINC000773935094 585646587 /nfs/dbraw/zinc/64/65/87/585646587.db2.gz OYSSLBJAYKDXJS-OYVUYXNMSA-N 0 3 237.774 3.610 20 0 BHADHN Cc1ccccc1C[C@H](C)N(C)C/C=C/Cl ZINC000773935095 585646691 /nfs/dbraw/zinc/64/66/91/585646691.db2.gz OYSSLBJAYKDXJS-PPGNKHEKSA-N 0 3 237.774 3.610 20 0 BHADHN Cc1ccccc1C[C@H](C)N(C)C/C=C\Cl ZINC000773935096 585646651 /nfs/dbraw/zinc/64/66/51/585646651.db2.gz OYSSLBJAYKDXJS-XURPKSDJSA-N 0 3 237.774 3.610 20 0 BHADHN Cc1ccccc1C[C@@H](C)N(C)C/C=C/Cl ZINC000773935098 585646604 /nfs/dbraw/zinc/64/66/04/585646604.db2.gz OYSSLBJAYKDXJS-YSKGHYERSA-N 0 3 237.774 3.610 20 0 BHADHN C[C@@H](C1CCCCC1)N(C)C/C=C/Cl ZINC000773977546 585647721 /nfs/dbraw/zinc/64/77/21/585647721.db2.gz OKVHLGXHAPQSCR-LAHYYIKRSA-N 0 3 215.768 3.640 20 0 BHADHN C[C@@H](C1CCCCC1)N(C)C/C=C\Cl ZINC000773977550 585646566 /nfs/dbraw/zinc/64/65/66/585646566.db2.gz OKVHLGXHAPQSCR-WDDYJBPVSA-N 0 3 215.768 3.640 20 0 BHADHN CCN(Cc1ccccc1C)C[C@@H]1CCC=CO1 ZINC000774832608 585666713 /nfs/dbraw/zinc/66/67/13/585666713.db2.gz JFIZLVSIXQHRQH-INIZCTEOSA-N 0 3 245.366 3.510 20 0 BHADHN CCN(Cc1ccccc1C)C[C@H]1CCC=CO1 ZINC000774832609 585666847 /nfs/dbraw/zinc/66/68/47/585666847.db2.gz JFIZLVSIXQHRQH-MRXNPFEDSA-N 0 3 245.366 3.510 20 0 BHADHN CCN(Cc1ccc(C)cc1)C[C@@H]1CCC=CO1 ZINC000774833310 585666797 /nfs/dbraw/zinc/66/67/97/585666797.db2.gz ODWJINUFZAMZEM-INIZCTEOSA-N 0 3 245.366 3.510 20 0 BHADHN CCN(Cc1ccc(C)cc1)C[C@H]1CCC=CO1 ZINC000774833311 585666854 /nfs/dbraw/zinc/66/68/54/585666854.db2.gz ODWJINUFZAMZEM-MRXNPFEDSA-N 0 3 245.366 3.510 20 0 BHADHN CCCc1cccc(CN[C@H](C)c2ccc[nH]2)c1 ZINC000775314211 585675244 /nfs/dbraw/zinc/67/52/44/585675244.db2.gz PIQZCBFVTLSSQB-CYBMUJFWSA-N 0 3 242.366 3.818 20 0 BHADHN CCCc1cccc(CN[C@@H](C)c2ccc[nH]2)c1 ZINC000775314213 585675192 /nfs/dbraw/zinc/67/51/92/585675192.db2.gz PIQZCBFVTLSSQB-ZDUSSCGKSA-N 0 3 242.366 3.818 20 0 BHADHN CC(C)(CNCc1ccoc1)C1=CCCCC1 ZINC000775318052 585675391 /nfs/dbraw/zinc/67/53/91/585675391.db2.gz DNXVJUMVNIHMHZ-UHFFFAOYSA-N 0 3 233.355 3.896 20 0 BHADHN CC[C@@](C)(NCCC(F)(F)F)c1ccccc1 ZINC000775388878 585677367 /nfs/dbraw/zinc/67/73/67/585677367.db2.gz SSSVRPOAVGCMRQ-GFCCVEGCSA-N 0 3 245.288 3.854 20 0 BHADHN CC[C@](C)(NCCC(F)(F)F)c1ccccc1 ZINC000775388879 585677441 /nfs/dbraw/zinc/67/74/41/585677441.db2.gz SSSVRPOAVGCMRQ-LBPRGKRZSA-N 0 3 245.288 3.854 20 0 BHADHN Fc1ccccc1C1(NCC2CCCC2)CC1 ZINC000775448690 585678258 /nfs/dbraw/zinc/67/82/58/585678258.db2.gz SIPWGZDVRPTSAP-UHFFFAOYSA-N 0 3 233.330 3.595 20 0 BHADHN CCCCC[C@@H](NCc1ccno1)C(C)(C)C ZINC000776023793 585689473 /nfs/dbraw/zinc/68/94/73/585689473.db2.gz PPRJPASSMYTVFZ-CYBMUJFWSA-N 0 3 238.375 3.759 20 0 BHADHN CCCCC[C@H](NCc1ccno1)C(C)(C)C ZINC000776023794 585689516 /nfs/dbraw/zinc/68/95/16/585689516.db2.gz PPRJPASSMYTVFZ-ZDUSSCGKSA-N 0 3 238.375 3.759 20 0 BHADHN CC(C)c1cnc(CNC(C(C)C)C(C)C)o1 ZINC000776025735 585689422 /nfs/dbraw/zinc/68/94/22/585689422.db2.gz BTUUDZSHYHQBFL-UHFFFAOYSA-N 0 3 238.375 3.568 20 0 BHADHN CCC1(CC)CCN(C/C=C/Cl)CC1 ZINC000776847006 585706231 /nfs/dbraw/zinc/70/62/31/585706231.db2.gz RMECZQOGTQSXHY-VMPITWQZSA-N 0 3 215.768 3.641 20 0 BHADHN CCC1(CC)CCN(C/C=C\Cl)CC1 ZINC000776847024 585706336 /nfs/dbraw/zinc/70/63/36/585706336.db2.gz RMECZQOGTQSXHY-YVMONPNESA-N 0 3 215.768 3.641 20 0 BHADHN CCC1(CC)CCN(Cc2ccoc2)CC1 ZINC000777220343 585709598 /nfs/dbraw/zinc/70/95/98/585709598.db2.gz PZCDBJQLQUTJOU-UHFFFAOYSA-N 0 3 221.344 3.682 20 0 BHADHN c1cc(CN2CCC(c3ccsc3)CC2)co1 ZINC000777221833 585709462 /nfs/dbraw/zinc/70/94/62/585709462.db2.gz MEWUAZAKALPRFM-UHFFFAOYSA-N 0 3 247.363 3.721 20 0 BHADHN CN(Cc1ccccc1)Cc1ccc(CF)cc1 ZINC000777540751 585714602 /nfs/dbraw/zinc/71/46/02/585714602.db2.gz AWQUIKPMBKBZKT-UHFFFAOYSA-N 0 3 243.325 3.788 20 0 BHADHN CN(Cc1cccs1)Cc1ccc(CF)cc1 ZINC000777544517 585714844 /nfs/dbraw/zinc/71/48/44/585714844.db2.gz LXLXHDMLLKVNBJ-UHFFFAOYSA-N 0 3 249.354 3.850 20 0 BHADHN Cc1ccccc1C[C@H](C)N(C)Cc1ccoc1 ZINC000777910387 585723659 /nfs/dbraw/zinc/72/36/59/585723659.db2.gz IGUASJKBZSGLEI-AWEZNQCLSA-N 0 3 243.350 3.651 20 0 BHADHN Cc1ccccc1C[C@@H](C)N(C)Cc1ccoc1 ZINC000777910388 585723777 /nfs/dbraw/zinc/72/37/77/585723777.db2.gz IGUASJKBZSGLEI-CQSZACIVSA-N 0 3 243.350 3.651 20 0 BHADHN C[C@H]1CCN([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000777948982 585724122 /nfs/dbraw/zinc/72/41/22/585724122.db2.gz DWKCJYHPUYITAL-HZMBPMFUSA-N 0 3 235.758 3.669 20 0 BHADHN C[C@H]1CCN([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000777948983 585724211 /nfs/dbraw/zinc/72/42/11/585724211.db2.gz DWKCJYHPUYITAL-IINYFYTJSA-N 0 3 235.758 3.669 20 0 BHADHN C[C@@H]1CCN([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000777948985 585724310 /nfs/dbraw/zinc/72/43/10/585724310.db2.gz DWKCJYHPUYITAL-QMTHXVAHSA-N 0 3 235.758 3.669 20 0 BHADHN C[C@@H]1CCN([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000777948987 585724294 /nfs/dbraw/zinc/72/42/94/585724294.db2.gz DWKCJYHPUYITAL-YGRLFVJLSA-N 0 3 235.758 3.669 20 0 BHADHN CC(C)CCCN(C)Cc1ccc(Cl)nc1 ZINC000778360723 585732119 /nfs/dbraw/zinc/73/21/19/585732119.db2.gz SAQISVDHOJGVSV-UHFFFAOYSA-N 0 3 240.778 3.603 20 0 BHADHN Fc1ccc(CN(C2CC2)C2CCCCC2)cn1 ZINC000779153732 585746124 /nfs/dbraw/zinc/74/61/24/585746124.db2.gz JZCZAUSKXQPNRL-UHFFFAOYSA-N 0 3 248.345 3.518 20 0 BHADHN CC(C)C1(C)CCN(Cc2ccoc2)CC1 ZINC000779192498 585747012 /nfs/dbraw/zinc/74/70/12/585747012.db2.gz QMJAUTSKDHJPAP-UHFFFAOYSA-N 0 3 221.344 3.538 20 0 BHADHN CCCCN[C@@H](c1ccccc1)c1cccnc1 ZINC000779338173 585751604 /nfs/dbraw/zinc/75/16/04/585751604.db2.gz NYAWDWHOWMDCHG-INIZCTEOSA-N 0 3 240.350 3.561 20 0 BHADHN CCCCN[C@H](c1ccccc1)c1cccnc1 ZINC000779338174 585751588 /nfs/dbraw/zinc/75/15/88/585751588.db2.gz NYAWDWHOWMDCHG-MRXNPFEDSA-N 0 3 240.350 3.561 20 0 BHADHN c1ccc2c(c1)CN(C[C@@H]1CCc3ccccc31)C2 ZINC000780284298 585776849 /nfs/dbraw/zinc/77/68/49/585776849.db2.gz GNHIUPARCUZCFX-KRWDZBQOSA-N 0 3 249.357 3.732 20 0 BHADHN c1ccc2c(c1)CN(C[C@H]1CCc3ccccc31)C2 ZINC000780284303 585776708 /nfs/dbraw/zinc/77/67/08/585776708.db2.gz GNHIUPARCUZCFX-QGZVFWFLSA-N 0 3 249.357 3.732 20 0 BHADHN Cc1cc(CNC(C)(C)CC(F)(F)F)c(C)o1 ZINC000780587825 585781972 /nfs/dbraw/zinc/78/19/72/585781972.db2.gz RDKAVKYYEWMZCH-UHFFFAOYSA-N 0 3 249.276 3.717 20 0 BHADHN CCCCCCN(C)Cc1ccsc1 ZINC000781102965 585790219 /nfs/dbraw/zinc/79/02/19/585790219.db2.gz LNVSSJKUGBLFKI-UHFFFAOYSA-N 0 3 211.374 3.760 20 0 BHADHN Cc1noc(C)c1CN(C)CCCC(C)(C)C ZINC000781885523 585804626 /nfs/dbraw/zinc/80/46/26/585804626.db2.gz RDDBXRDTEDRKKF-UHFFFAOYSA-N 0 3 238.375 3.550 20 0 BHADHN CCN(Cc1cscn1)[C@H]1CCCC[C@@H]1C ZINC000781923476 585805526 /nfs/dbraw/zinc/80/55/26/585805526.db2.gz DECMLGJRLJGTQW-AAEUAGOBSA-N 0 3 238.400 3.544 20 0 BHADHN CCN(Cc1cscn1)[C@@H]1CCCC[C@H]1C ZINC000781923477 585805451 /nfs/dbraw/zinc/80/54/51/585805451.db2.gz DECMLGJRLJGTQW-DGCLKSJQSA-N 0 3 238.400 3.544 20 0 BHADHN CCN(Cc1cscn1)[C@@H]1CCCC[C@@H]1C ZINC000781923478 585805321 /nfs/dbraw/zinc/80/53/21/585805321.db2.gz DECMLGJRLJGTQW-WCQYABFASA-N 0 3 238.400 3.544 20 0 BHADHN CCN(Cc1cscn1)[C@H]1CCCC[C@H]1C ZINC000781923479 585805485 /nfs/dbraw/zinc/80/54/85/585805485.db2.gz DECMLGJRLJGTQW-YPMHNXCESA-N 0 3 238.400 3.544 20 0 BHADHN CC1=CCN([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000782181927 585810403 /nfs/dbraw/zinc/81/04/03/585810403.db2.gz LLUYCJBRCAQJKQ-HNNXBMFYSA-N 0 3 247.769 3.979 20 0 BHADHN CC1=CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000782181928 585810291 /nfs/dbraw/zinc/81/02/91/585810291.db2.gz LLUYCJBRCAQJKQ-OAHLLOKOSA-N 0 3 247.769 3.979 20 0 BHADHN C[C@H](C1CC1)N1CCSC2(CCCCC2)C1 ZINC000782192219 585811467 /nfs/dbraw/zinc/81/14/67/585811467.db2.gz ZAWORRJVMXZSPP-GFCCVEGCSA-N 0 3 239.428 3.537 20 0 BHADHN C[C@@H](C1CC1)N1CCSC2(CCCCC2)C1 ZINC000782192223 585811825 /nfs/dbraw/zinc/81/18/25/585811825.db2.gz ZAWORRJVMXZSPP-LBPRGKRZSA-N 0 3 239.428 3.537 20 0 BHADHN C[C@@H]1CN(C/C(Cl)=C/Cl)[C@@H]2CCCC[C@H]21 ZINC000782505220 585819373 /nfs/dbraw/zinc/81/93/73/585819373.db2.gz WLIWMHUUJSEZPF-AXIQDABYSA-N 0 3 248.197 3.816 20 0 BHADHN C[C@@H]1CN(C/C(Cl)=C/Cl)[C@@H]2CCCC[C@@H]21 ZINC000782505221 585819370 /nfs/dbraw/zinc/81/93/70/585819370.db2.gz WLIWMHUUJSEZPF-LXUHNGFDSA-N 0 3 248.197 3.816 20 0 BHADHN C[C@@H]1CN(C/C(Cl)=C\Cl)[C@@H]2CCCC[C@H]21 ZINC000782505222 585819141 /nfs/dbraw/zinc/81/91/41/585819141.db2.gz WLIWMHUUJSEZPF-NCWOZAGMSA-N 0 3 248.197 3.816 20 0 BHADHN C[C@@H]1CN(C/C(Cl)=C\Cl)[C@@H]2CCCC[C@@H]21 ZINC000782505223 585819322 /nfs/dbraw/zinc/81/93/22/585819322.db2.gz WLIWMHUUJSEZPF-XWXGRMNFSA-N 0 3 248.197 3.816 20 0 BHADHN C[C@@H]1CC[C@@H]1NCc1ccccc1OC1CCC1 ZINC000783252602 585832382 /nfs/dbraw/zinc/83/23/82/585832382.db2.gz SXRIVHHNOGSHHW-DOMZBBRYSA-N 0 3 245.366 3.506 20 0 BHADHN C[C@@H]1CC[C@H]1NCc1ccccc1OC1CCC1 ZINC000783252603 585832271 /nfs/dbraw/zinc/83/22/71/585832271.db2.gz SXRIVHHNOGSHHW-IUODEOHRSA-N 0 3 245.366 3.506 20 0 BHADHN C[C@H]1CC[C@H]1NCc1ccccc1OC1CCC1 ZINC000783252604 585832294 /nfs/dbraw/zinc/83/22/94/585832294.db2.gz SXRIVHHNOGSHHW-SWLSCSKDSA-N 0 3 245.366 3.506 20 0 BHADHN C[C@H]1CC[C@@H]1NCc1ccccc1OC1CCC1 ZINC000783252605 585832273 /nfs/dbraw/zinc/83/22/73/585832273.db2.gz SXRIVHHNOGSHHW-WFASDCNBSA-N 0 3 245.366 3.506 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccc[nH]1)c1cccc(F)c1 ZINC000783258897 585832590 /nfs/dbraw/zinc/83/25/90/585832590.db2.gz PHVODTWPKZZOOS-BXUZGUMPSA-N 0 3 246.329 3.956 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccc[nH]1)c1cccc(F)c1 ZINC000783258898 585832584 /nfs/dbraw/zinc/83/25/84/585832584.db2.gz PHVODTWPKZZOOS-FZMZJTMJSA-N 0 3 246.329 3.956 20 0 BHADHN CC[C@H](N[C@H](C)c1ccc[nH]1)c1cccc(F)c1 ZINC000783258899 585832529 /nfs/dbraw/zinc/83/25/29/585832529.db2.gz PHVODTWPKZZOOS-RISCZKNCSA-N 0 3 246.329 3.956 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccc[nH]1)c1cccc(F)c1 ZINC000783258900 585832521 /nfs/dbraw/zinc/83/25/21/585832521.db2.gz PHVODTWPKZZOOS-SMDDNHRTSA-N 0 3 246.329 3.956 20 0 BHADHN CCC(CC)(CC)CNCc1cccc(F)n1 ZINC000783578494 585837320 /nfs/dbraw/zinc/83/73/20/585837320.db2.gz RAGXYTLYIDCRBR-UHFFFAOYSA-N 0 3 238.350 3.527 20 0 BHADHN Cc1ccc([C@@H]2CCN(C/C=C/Cl)C2)cc1 ZINC000784476672 585861028 /nfs/dbraw/zinc/86/10/28/585861028.db2.gz KDHYKLSEQAGFSB-JPFFYJABSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1ccc([C@H]2CCN(C/C=C/Cl)C2)cc1 ZINC000784476701 585861062 /nfs/dbraw/zinc/86/10/62/585861062.db2.gz KDHYKLSEQAGFSB-LPSTVZDBSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1ccc([C@H]2CCN(C/C=C\Cl)C2)cc1 ZINC000784476705 585861081 /nfs/dbraw/zinc/86/10/81/585861081.db2.gz KDHYKLSEQAGFSB-OLUUIJGHSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1ccc([C@@H]2CCN(C/C=C\Cl)C2)cc1 ZINC000784476709 585861147 /nfs/dbraw/zinc/86/11/47/585861147.db2.gz KDHYKLSEQAGFSB-UCEWNTHNSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1cccc([C@@H]2CCN(C/C=C\Cl)C2)c1 ZINC000784479630 585860978 /nfs/dbraw/zinc/86/09/78/585860978.db2.gz VDZWHXXJVBGIAW-NMNMAYGDSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1cccc([C@H]2CCN(C/C=C/Cl)C2)c1 ZINC000784479631 585861033 /nfs/dbraw/zinc/86/10/33/585861033.db2.gz VDZWHXXJVBGIAW-RRFAQUSLSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1cccc([C@@H]2CCN(C/C=C/Cl)C2)c1 ZINC000784479632 585861009 /nfs/dbraw/zinc/86/10/09/585861009.db2.gz VDZWHXXJVBGIAW-UFZAZABTSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1cccc([C@H]2CCN(C/C=C\Cl)C2)c1 ZINC000784479633 585861132 /nfs/dbraw/zinc/86/11/32/585861132.db2.gz VDZWHXXJVBGIAW-UMSKNGNOSA-N 0 3 235.758 3.537 20 0 BHADHN Cc1cc(C)cc([C@H]2CCN(C/C=C/Cl)C2)c1 ZINC000784502652 585861448 /nfs/dbraw/zinc/86/14/48/585861448.db2.gz YVNFAHZKPKFVNT-KQIUPUNMSA-N 0 3 249.785 3.845 20 0 BHADHN Cc1cc(C)cc([C@@H]2CCN(C/C=C/Cl)C2)c1 ZINC000784502654 585861539 /nfs/dbraw/zinc/86/15/39/585861539.db2.gz YVNFAHZKPKFVNT-LYKUJDHUSA-N 0 3 249.785 3.845 20 0 BHADHN Cc1cc(C)cc([C@H]2CCN(C/C=C\Cl)C2)c1 ZINC000784502656 585861596 /nfs/dbraw/zinc/86/15/96/585861596.db2.gz YVNFAHZKPKFVNT-MFBWXBCUSA-N 0 3 249.785 3.845 20 0 BHADHN Cc1cc(C)cc([C@@H]2CCN(C/C=C\Cl)C2)c1 ZINC000784502658 585861563 /nfs/dbraw/zinc/86/15/63/585861563.db2.gz YVNFAHZKPKFVNT-PKXJPQMGSA-N 0 3 249.785 3.845 20 0 BHADHN C[C@@H]1C[C@@H]1c1ccc(CNC23CCC(CC2)C3)o1 ZINC000784643972 585865286 /nfs/dbraw/zinc/86/52/86/585865286.db2.gz QBMIJOQNERIFEL-AGBNJFSLSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@H]1C[C@@H]1c1ccc(CNC23CCC(CC2)C3)o1 ZINC000784643973 585865279 /nfs/dbraw/zinc/86/52/79/585865279.db2.gz QBMIJOQNERIFEL-CVGUKDDFSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@H]1C[C@H]1c1ccc(CNC23CCC(CC2)C3)o1 ZINC000784643974 585865229 /nfs/dbraw/zinc/86/52/29/585865229.db2.gz QBMIJOQNERIFEL-RDNPCOENSA-N 0 3 245.366 3.825 20 0 BHADHN C[C@@H]1C[C@H]1c1ccc(CNC23CCC(CC2)C3)o1 ZINC000784643975 585865335 /nfs/dbraw/zinc/86/53/35/585865335.db2.gz QBMIJOQNERIFEL-SHOKAGSKSA-N 0 3 245.366 3.825 20 0 BHADHN Cc1ccc([C@@H]2C[C@H](C)N(C/C=C/Cl)C2)cc1 ZINC000786124429 585887841 /nfs/dbraw/zinc/88/78/41/585887841.db2.gz DPPKCPCEFRMBOV-JGAQIUESSA-N 0 3 249.785 3.925 20 0 BHADHN Cc1ccc([C@@H]2C[C@@H](C)N(C/C=C/Cl)C2)cc1 ZINC000786124432 585887836 /nfs/dbraw/zinc/88/78/36/585887836.db2.gz DPPKCPCEFRMBOV-OLBOPLKTSA-N 0 3 249.785 3.925 20 0 BHADHN Cc1ccc([C@@H]2C[C@@H](C)N(C/C=C\Cl)C2)cc1 ZINC000786124434 585887814 /nfs/dbraw/zinc/88/78/14/585887814.db2.gz DPPKCPCEFRMBOV-QMVQRKLUSA-N 0 3 249.785 3.925 20 0 BHADHN Cc1ccc([C@@H]2C[C@H](C)N(C/C=C\Cl)C2)cc1 ZINC000786124435 585887818 /nfs/dbraw/zinc/88/78/18/585887818.db2.gz DPPKCPCEFRMBOV-SUXGKNLPSA-N 0 3 249.785 3.925 20 0 BHADHN CC(C)CCN(C)Cc1cc(Cl)cs1 ZINC000787087519 585901103 /nfs/dbraw/zinc/90/11/03/585901103.db2.gz QBJHMDQFSYKHET-UHFFFAOYSA-N 0 3 231.792 3.879 20 0 BHADHN Clc1csc(CN2CCC[C@@H]2C2CC2)c1 ZINC000787150591 585902282 /nfs/dbraw/zinc/90/22/82/585902282.db2.gz SOSFGKDUZUKNMA-GFCCVEGCSA-N 0 3 241.787 3.776 20 0 BHADHN Clc1csc(CN2CCC[C@H]2C2CC2)c1 ZINC000787150592 585902312 /nfs/dbraw/zinc/90/23/12/585902312.db2.gz SOSFGKDUZUKNMA-LBPRGKRZSA-N 0 3 241.787 3.776 20 0 BHADHN Fc1ccc(CN(C2CC2)C2CCCCC2)nc1 ZINC000787168303 585902551 /nfs/dbraw/zinc/90/25/51/585902551.db2.gz IWAYPMSNCNTMAL-UHFFFAOYSA-N 0 3 248.345 3.518 20 0 BHADHN Fc1cccc(C2(NC3CC4(CCC4)C3)CC2)c1 ZINC000788437346 585923342 /nfs/dbraw/zinc/92/33/42/585923342.db2.gz RGGBNYMTRQHOPJ-UHFFFAOYSA-N 0 3 245.341 3.737 20 0 BHADHN CCCCCCN[C@H](C)c1cn2ccccc2n1 ZINC000788497231 585925502 /nfs/dbraw/zinc/92/55/02/585925502.db2.gz GFEWXTIIGOKTRP-CYBMUJFWSA-N 0 3 245.370 3.565 20 0 BHADHN CCCCCCN[C@@H](C)c1cn2ccccc2n1 ZINC000788497233 585925622 /nfs/dbraw/zinc/92/56/22/585925622.db2.gz GFEWXTIIGOKTRP-ZDUSSCGKSA-N 0 3 245.370 3.565 20 0 BHADHN Cc1cccc(F)c1CN[C@H]1CCC12CCCC2 ZINC000788983140 585932901 /nfs/dbraw/zinc/93/29/01/585932901.db2.gz BFJCLOWKMZKHGD-HNNXBMFYSA-N 0 3 247.357 3.947 20 0 BHADHN Cc1cccc(F)c1CN[C@@H]1CCC12CCCC2 ZINC000788983144 585932963 /nfs/dbraw/zinc/93/29/63/585932963.db2.gz BFJCLOWKMZKHGD-OAHLLOKOSA-N 0 3 247.357 3.947 20 0 BHADHN CCc1noc(C)c1[C@@H](C)NCCC=C(C)C ZINC000790683033 585967642 /nfs/dbraw/zinc/96/76/42/585967642.db2.gz LJJHNWITDSGOAM-LLVKDONJSA-N 0 3 236.359 3.552 20 0 BHADHN CCc1noc(C)c1[C@H](C)NCCC=C(C)C ZINC000790683103 585967740 /nfs/dbraw/zinc/96/77/40/585967740.db2.gz LJJHNWITDSGOAM-NSHDSACASA-N 0 3 236.359 3.552 20 0 BHADHN COc1cc(C)c([C@H](C)NCC=C(C)C)cc1C ZINC000790695688 585967658 /nfs/dbraw/zinc/96/76/58/585967658.db2.gz AEZZRYFAZLPPBA-AWEZNQCLSA-N 0 3 247.382 3.929 20 0 BHADHN COc1cc(C)c([C@@H](C)NCC=C(C)C)cc1C ZINC000790695689 585967694 /nfs/dbraw/zinc/96/76/94/585967694.db2.gz AEZZRYFAZLPPBA-CQSZACIVSA-N 0 3 247.382 3.929 20 0 BHADHN Cc1ccc([C@@H]2CCN(C/C=C\Cl)C2)c(C)c1 ZINC000791607874 585985162 /nfs/dbraw/zinc/98/51/62/585985162.db2.gz VWCAIQYADKRFLD-NMNMAYGDSA-N 0 3 249.785 3.845 20 0 BHADHN Cc1ccc([C@H]2CCN(C/C=C/Cl)C2)c(C)c1 ZINC000791607875 585985077 /nfs/dbraw/zinc/98/50/77/585985077.db2.gz VWCAIQYADKRFLD-RRFAQUSLSA-N 0 3 249.785 3.845 20 0 BHADHN Cc1ccc([C@@H]2CCN(C/C=C/Cl)C2)c(C)c1 ZINC000791607876 585985062 /nfs/dbraw/zinc/98/50/62/585985062.db2.gz VWCAIQYADKRFLD-UFZAZABTSA-N 0 3 249.785 3.845 20 0 BHADHN Cc1ccc([C@H]2CCN(C/C=C\Cl)C2)c(C)c1 ZINC000791607877 585985105 /nfs/dbraw/zinc/98/51/05/585985105.db2.gz VWCAIQYADKRFLD-UMSKNGNOSA-N 0 3 249.785 3.845 20 0 BHADHN Cc1ccnc(CN2CCC3(CCCC3)CC2)c1 ZINC000792232696 585998364 /nfs/dbraw/zinc/99/83/64/585998364.db2.gz WMJFQHMBGAOBER-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN Cc1ccnc(CN2CCC(CC(C)C)CC2)c1 ZINC000792238746 585998512 /nfs/dbraw/zinc/99/85/12/585998512.db2.gz XXGFNYFDYQYNCU-UHFFFAOYSA-N 0 3 246.398 3.648 20 0 BHADHN Cc1ccnc(CN2CCCC3(CCCC3)C2)c1 ZINC000792297303 585999353 /nfs/dbraw/zinc/99/93/53/585999353.db2.gz OIMBSQKQUINACF-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN CN(C/C=C/Cl)C(C)(C)c1ccccc1 ZINC000792923681 586007075 /nfs/dbraw/zinc/00/70/75/586007075.db2.gz FWHJUZBAQOTHLV-JXMROGBWSA-N 0 3 223.747 3.606 20 0 BHADHN CN(C/C=C\Cl)C(C)(C)c1ccccc1 ZINC000792923705 586007048 /nfs/dbraw/zinc/00/70/48/586007048.db2.gz FWHJUZBAQOTHLV-YFHOEESVSA-N 0 3 223.747 3.606 20 0 BHADHN Cc1ccccc1[C@H](C)N(CCF)CC(C)C ZINC000792924865 586007129 /nfs/dbraw/zinc/00/71/29/586007129.db2.gz HBNHEKDHCJDCPF-AWEZNQCLSA-N 0 3 237.362 3.984 20 0 BHADHN Cc1ccccc1[C@@H](C)N(CCF)CC(C)C ZINC000792924867 586007098 /nfs/dbraw/zinc/00/70/98/586007098.db2.gz HBNHEKDHCJDCPF-CQSZACIVSA-N 0 3 237.362 3.984 20 0 BHADHN CC[C@H](C)C[C@H](CC)NCc1cccnc1F ZINC000793280764 586015807 /nfs/dbraw/zinc/01/58/07/586015807.db2.gz LSBPTJRAPIQESB-AAEUAGOBSA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@@H](C)C[C@@H](CC)NCc1cccnc1F ZINC000793280773 586015648 /nfs/dbraw/zinc/01/56/48/586015648.db2.gz LSBPTJRAPIQESB-DGCLKSJQSA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@H](C[C@@H](C)CC)NCc1cccnc1F ZINC000793280775 586015746 /nfs/dbraw/zinc/01/57/46/586015746.db2.gz LSBPTJRAPIQESB-WCQYABFASA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@@H](C)C[C@H](CC)NCc1cccnc1F ZINC000793280778 586015755 /nfs/dbraw/zinc/01/57/55/586015755.db2.gz LSBPTJRAPIQESB-YPMHNXCESA-N 0 3 238.350 3.525 20 0 BHADHN CCCCCC[C@@H](C)NCc1cccnc1F ZINC000793282691 586016091 /nfs/dbraw/zinc/01/60/91/586016091.db2.gz WWOFLIAARHNKOR-GFCCVEGCSA-N 0 3 238.350 3.669 20 0 BHADHN CCCCCC[C@H](C)NCc1cccnc1F ZINC000793282698 586016160 /nfs/dbraw/zinc/01/61/60/586016160.db2.gz WWOFLIAARHNKOR-LBPRGKRZSA-N 0 3 238.350 3.669 20 0 BHADHN CCC(CC)(CC)CNCc1cccnc1F ZINC000793283034 586015981 /nfs/dbraw/zinc/01/59/81/586015981.db2.gz ZAYIMCWBNBJINW-UHFFFAOYSA-N 0 3 238.350 3.527 20 0 BHADHN CC(C)CCC[C@@H](C)NCc1cccnc1F ZINC000793289246 586016312 /nfs/dbraw/zinc/01/63/12/586016312.db2.gz LNEXCGKPHLBKCN-GFCCVEGCSA-N 0 3 238.350 3.525 20 0 BHADHN CC(C)CCC[C@H](C)NCc1cccnc1F ZINC000793289251 586016404 /nfs/dbraw/zinc/01/64/04/586016404.db2.gz LNEXCGKPHLBKCN-LBPRGKRZSA-N 0 3 238.350 3.525 20 0 BHADHN C[C@H](CN1CCC(F)(F)CC1)c1ccccc1 ZINC000793358214 586017301 /nfs/dbraw/zinc/01/73/01/586017301.db2.gz BWXNAGMNPYWZNI-GFCCVEGCSA-N 0 3 239.309 3.521 20 0 BHADHN C[C@@H](CN1CCC(F)(F)CC1)c1ccccc1 ZINC000793358216 586017624 /nfs/dbraw/zinc/01/76/24/586017624.db2.gz BWXNAGMNPYWZNI-LBPRGKRZSA-N 0 3 239.309 3.521 20 0 BHADHN Cc1ccc(C)c(CN2CCC(F)(F)CC2)c1 ZINC000793358315 586017463 /nfs/dbraw/zinc/01/74/63/586017463.db2.gz DKFPGFLPAIXNBH-UHFFFAOYSA-N 0 3 239.309 3.535 20 0 BHADHN Cc1cccc(C)c1CN1CCC(F)(F)CC1 ZINC000793359476 586017586 /nfs/dbraw/zinc/01/75/86/586017586.db2.gz MTNBLPWHLORWMW-UHFFFAOYSA-N 0 3 239.309 3.535 20 0 BHADHN Cc1cc(CN2CCC(F)(F)CC2)c(C)s1 ZINC000793362303 586017655 /nfs/dbraw/zinc/01/76/55/586017655.db2.gz QDAHPGOSLHDZBW-UHFFFAOYSA-N 0 3 245.338 3.596 20 0 BHADHN Cc1ccc(CN2CCC(F)(F)CC2)cc1C ZINC000793362833 586017492 /nfs/dbraw/zinc/01/74/92/586017492.db2.gz WPEFPZXTGNUUSJ-UHFFFAOYSA-N 0 3 239.309 3.535 20 0 BHADHN C[C@H](CCC(C)(C)C)NCc1cccc(F)n1 ZINC000793552610 586022696 /nfs/dbraw/zinc/02/26/96/586022696.db2.gz ZKSIAOKJWYAGEZ-LLVKDONJSA-N 0 3 238.350 3.525 20 0 BHADHN C[C@@H](CCC(C)(C)C)NCc1cccc(F)n1 ZINC000793552611 586022864 /nfs/dbraw/zinc/02/28/64/586022864.db2.gz ZKSIAOKJWYAGEZ-NSHDSACASA-N 0 3 238.350 3.525 20 0 BHADHN C[C@H](CCC(C)(C)C)NCc1cccnc1F ZINC000793564717 586023215 /nfs/dbraw/zinc/02/32/15/586023215.db2.gz JREVWSUHGGBJSP-LLVKDONJSA-N 0 3 238.350 3.525 20 0 BHADHN C[C@@H](CCC(C)(C)C)NCc1cccnc1F ZINC000793564718 586023409 /nfs/dbraw/zinc/02/34/09/586023409.db2.gz JREVWSUHGGBJSP-NSHDSACASA-N 0 3 238.350 3.525 20 0 BHADHN CN(Cc1ccoc1)C(C)(C)c1ccccc1 ZINC000793609125 586023973 /nfs/dbraw/zinc/02/39/73/586023973.db2.gz OMVSHBNFVPVXIG-UHFFFAOYSA-N 0 3 229.323 3.647 20 0 BHADHN c1cc(CN2CCC=C(c3ccccc3)C2)co1 ZINC000793620522 586024228 /nfs/dbraw/zinc/02/42/28/586024228.db2.gz PUYNUDAWNWBEKK-UHFFFAOYSA-N 0 3 239.318 3.569 20 0 BHADHN C[C@@H]1CCCC[C@H]1N(C)Cc1coc(C2CC2)n1 ZINC000793997756 586029930 /nfs/dbraw/zinc/02/99/30/586029930.db2.gz IOTZWQWTQMZSKP-BXUZGUMPSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@H]1CCCC[C@@H]1N(C)Cc1coc(C2CC2)n1 ZINC000793997757 586029789 /nfs/dbraw/zinc/02/97/89/586029789.db2.gz IOTZWQWTQMZSKP-FZMZJTMJSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@@H]1CCCC[C@@H]1N(C)Cc1coc(C2CC2)n1 ZINC000793997759 636065660 /nfs/dbraw/zinc/06/56/60/636065660.db2.gz IOTZWQWTQMZSKP-RISCZKNCSA-N 0 3 248.370 3.563 20 0 BHADHN C[C@H]1CCCC[C@H]1N(C)Cc1coc(C2CC2)n1 ZINC000793997810 636065959 /nfs/dbraw/zinc/06/59/59/636065959.db2.gz IOTZWQWTQMZSKP-SMDDNHRTSA-N 0 3 248.370 3.563 20 0 BHADHN CC(C)O[C@@H](CN1CCC1(C)C)c1ccccc1 ZINC000794412336 586039146 /nfs/dbraw/zinc/03/91/46/586039146.db2.gz FAWFSUVPQQDADD-HNNXBMFYSA-N 0 3 247.382 3.637 20 0 BHADHN CC(C)O[C@H](CN1CCC1(C)C)c1ccccc1 ZINC000794412337 586039086 /nfs/dbraw/zinc/03/90/86/586039086.db2.gz FAWFSUVPQQDADD-OAHLLOKOSA-N 0 3 247.382 3.637 20 0 BHADHN Cc1ccc(CC2CCN(CCF)CC2)cc1C ZINC000794606745 586045923 /nfs/dbraw/zinc/04/59/23/586045923.db2.gz RGJFFVUACZDQPH-UHFFFAOYSA-N 0 3 249.373 3.527 20 0 BHADHN CCC[C@H](C)[C@H](CC)NCc1cccnc1F ZINC000794836620 586050250 /nfs/dbraw/zinc/05/02/50/586050250.db2.gz UOYBCYQBPLBDPQ-AAEUAGOBSA-N 0 3 238.350 3.525 20 0 BHADHN CCC[C@@H](C)[C@@H](CC)NCc1cccnc1F ZINC000794836621 586050476 /nfs/dbraw/zinc/05/04/76/586050476.db2.gz UOYBCYQBPLBDPQ-DGCLKSJQSA-N 0 3 238.350 3.525 20 0 BHADHN CCC[C@H](C)[C@@H](CC)NCc1cccnc1F ZINC000794836622 586050519 /nfs/dbraw/zinc/05/05/19/586050519.db2.gz UOYBCYQBPLBDPQ-WCQYABFASA-N 0 3 238.350 3.525 20 0 BHADHN CCC[C@@H](C)[C@H](CC)NCc1cccnc1F ZINC000794836623 586050367 /nfs/dbraw/zinc/05/03/67/586050367.db2.gz UOYBCYQBPLBDPQ-YPMHNXCESA-N 0 3 238.350 3.525 20 0 BHADHN CCCCCCN(C)Cc1occc1C ZINC000795151565 586069684 /nfs/dbraw/zinc/06/96/84/586069684.db2.gz JGDFCSVIUNKUCY-UHFFFAOYSA-N 0 3 209.333 3.600 20 0 BHADHN Cc1ccc(C2=CCN(CCCCF)CC2)cc1 ZINC000795847301 586093237 /nfs/dbraw/zinc/09/32/37/586093237.db2.gz AQAZAZXNMNZTOT-UHFFFAOYSA-N 0 3 247.357 3.834 20 0 BHADHN Clc1ccc2c(c1)CC[C@@H]2N1C2CCC1CC2 ZINC000795862298 586093630 /nfs/dbraw/zinc/09/36/30/586093630.db2.gz STEJWKXEQNXJMV-PIMMBPRGSA-N 0 3 247.769 3.954 20 0 BHADHN Clc1ccc2c(c1)CC[C@H]2N1C2CCC1CC2 ZINC000795862300 586093619 /nfs/dbraw/zinc/09/36/19/586093619.db2.gz STEJWKXEQNXJMV-SSDMNJCBSA-N 0 3 247.769 3.954 20 0 BHADHN C[C@H]1CCCN1[C@H]1CCc2cc(Cl)ccc21 ZINC000795925952 586094830 /nfs/dbraw/zinc/09/48/30/586094830.db2.gz YFKZPVCYCBYGDP-HZMBPMFUSA-N 0 3 235.758 3.812 20 0 BHADHN C[C@H]1CCCN1[C@@H]1CCc2cc(Cl)ccc21 ZINC000795925966 586094752 /nfs/dbraw/zinc/09/47/52/586094752.db2.gz YFKZPVCYCBYGDP-IINYFYTJSA-N 0 3 235.758 3.812 20 0 BHADHN C[C@@H]1CCCN1[C@@H]1CCc2cc(Cl)ccc21 ZINC000795925969 586094843 /nfs/dbraw/zinc/09/48/43/586094843.db2.gz YFKZPVCYCBYGDP-QMTHXVAHSA-N 0 3 235.758 3.812 20 0 BHADHN C[C@@H]1CCCN1[C@H]1CCc2cc(Cl)ccc21 ZINC000795925973 586094494 /nfs/dbraw/zinc/09/44/94/586094494.db2.gz YFKZPVCYCBYGDP-YGRLFVJLSA-N 0 3 235.758 3.812 20 0 BHADHN C[C@@H]1C[C@@H](C)N1[C@@H]1CCc2cc(Cl)ccc21 ZINC000796051177 586096995 /nfs/dbraw/zinc/09/69/95/586096995.db2.gz NVBARPRZGVEWAK-GPCCPHFNSA-N 0 3 235.758 3.810 20 0 BHADHN C[C@@H]1C[C@H](C)N1[C@@H]1CCc2cc(Cl)ccc21 ZINC000796051179 586096864 /nfs/dbraw/zinc/09/68/64/586096864.db2.gz NVBARPRZGVEWAK-ISTVAULSSA-N 0 3 235.758 3.810 20 0 BHADHN C[C@@H]1C[C@H](C)N1[C@H]1CCc2cc(Cl)ccc21 ZINC000796051181 586096961 /nfs/dbraw/zinc/09/69/61/586096961.db2.gz NVBARPRZGVEWAK-RBZYPMLTSA-N 0 3 235.758 3.810 20 0 BHADHN C[C@@H]1C[C@@H](C)N1[C@H]1CCc2cc(Cl)ccc21 ZINC000796051183 586097021 /nfs/dbraw/zinc/09/70/21/586097021.db2.gz NVBARPRZGVEWAK-RULNRJAQSA-N 0 3 235.758 3.810 20 0 BHADHN CC1=CCCN([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000796058030 586097035 /nfs/dbraw/zinc/09/70/35/586097035.db2.gz RNWZLXQYFBUUEP-HNNXBMFYSA-N 0 3 247.769 3.979 20 0 BHADHN CC1=CCCN([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000796058034 586096874 /nfs/dbraw/zinc/09/68/74/586096874.db2.gz RNWZLXQYFBUUEP-OAHLLOKOSA-N 0 3 247.769 3.979 20 0 BHADHN CCCCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000796194616 586098798 /nfs/dbraw/zinc/09/87/98/586098798.db2.gz BERUGOXKNJSVRC-AWEZNQCLSA-N 0 3 235.375 3.517 20 0 BHADHN CCCCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000796194617 586098519 /nfs/dbraw/zinc/09/85/19/586098519.db2.gz BERUGOXKNJSVRC-CQSZACIVSA-N 0 3 235.375 3.517 20 0 BHADHN C[C@@H](NCc1ccc2occc2c1)c1ccc[nH]1 ZINC000796341438 586101363 /nfs/dbraw/zinc/10/13/63/586101363.db2.gz XOJLNWQFMVIJGS-LLVKDONJSA-N 0 3 240.306 3.612 20 0 BHADHN C[C@H](NCc1ccc2occc2c1)c1ccc[nH]1 ZINC000796341439 586101397 /nfs/dbraw/zinc/10/13/97/586101397.db2.gz XOJLNWQFMVIJGS-NSHDSACASA-N 0 3 240.306 3.612 20 0 BHADHN Cl/C=C(/Cl)CN1CCC2(CCC2)CC1 ZINC000796512625 586105790 /nfs/dbraw/zinc/10/57/90/586105790.db2.gz GNWGJFDQYWONIX-CSKARUKUSA-N 0 3 234.170 3.572 20 0 BHADHN Cl/C=C(\Cl)CN1CCC2(CCC2)CC1 ZINC000796512626 586105849 /nfs/dbraw/zinc/10/58/49/586105849.db2.gz GNWGJFDQYWONIX-NTMALXAHSA-N 0 3 234.170 3.572 20 0 BHADHN Cc1cccc([C@@H](C)N2CCC(F)(F)CC2)c1 ZINC000796538286 586106238 /nfs/dbraw/zinc/10/62/38/586106238.db2.gz GBVGSSQHHDDYPM-GFCCVEGCSA-N 0 3 239.309 3.787 20 0 BHADHN Cc1cccc([C@H](C)N2CCC(F)(F)CC2)c1 ZINC000796538289 586106284 /nfs/dbraw/zinc/10/62/84/586106284.db2.gz GBVGSSQHHDDYPM-LBPRGKRZSA-N 0 3 239.309 3.787 20 0 BHADHN FC1(F)CCN(CCCC2CCCC2)CC1 ZINC000796540859 586106264 /nfs/dbraw/zinc/10/62/64/586106264.db2.gz XTDCMQWNCQDHQK-UHFFFAOYSA-N 0 3 231.330 3.688 20 0 BHADHN C[C@@H]1CCC[C@H](CCN2CCC(F)(F)CC2)C1 ZINC000796541301 586106377 /nfs/dbraw/zinc/10/63/77/586106377.db2.gz PVZMFEOUEVLNAS-CHWSQXEVSA-N 0 3 245.357 3.934 20 0 BHADHN C[C@@H]1CCC[C@@H](CCN2CCC(F)(F)CC2)C1 ZINC000796541302 586106398 /nfs/dbraw/zinc/10/63/98/586106398.db2.gz PVZMFEOUEVLNAS-OLZOCXBDSA-N 0 3 245.357 3.934 20 0 BHADHN C[C@H]1CCC[C@H](CCN2CCC(F)(F)CC2)C1 ZINC000796541303 586106541 /nfs/dbraw/zinc/10/65/41/586106541.db2.gz PVZMFEOUEVLNAS-QWHCGFSZSA-N 0 3 245.357 3.934 20 0 BHADHN C[C@H]1CCC[C@@H](CCN2CCC(F)(F)CC2)C1 ZINC000796541304 586106365 /nfs/dbraw/zinc/10/63/65/586106365.db2.gz PVZMFEOUEVLNAS-STQMWFEESA-N 0 3 245.357 3.934 20 0 BHADHN CC1=C(C)CN(Cc2ccc(CF)cc2)CC1 ZINC000796593391 586108352 /nfs/dbraw/zinc/10/83/52/586108352.db2.gz MBBFBTRDECLZHY-UHFFFAOYSA-N 0 3 233.330 3.698 20 0 BHADHN C[C@@H]1C[C@H](c2ccccc2)N(C/C=C\Cl)C1 ZINC000796620586 586108418 /nfs/dbraw/zinc/10/84/18/586108418.db2.gz QEMWSSIZZVHNAW-GPTAZTBJSA-N 0 3 235.758 3.822 20 0 BHADHN C[C@@H]1C[C@@H](c2ccccc2)N(C/C=C\Cl)C1 ZINC000796620593 586108643 /nfs/dbraw/zinc/10/86/43/586108643.db2.gz QEMWSSIZZVHNAW-HPFKKHKDSA-N 0 3 235.758 3.822 20 0 BHADHN C[C@@H]1C[C@@H](c2ccccc2)N(C/C=C/Cl)C1 ZINC000796620595 586108550 /nfs/dbraw/zinc/10/85/50/586108550.db2.gz QEMWSSIZZVHNAW-MZMNXDGSSA-N 0 3 235.758 3.822 20 0 BHADHN C[C@@H]1C[C@H](c2ccccc2)N(C/C=C/Cl)C1 ZINC000796620596 586108557 /nfs/dbraw/zinc/10/85/57/586108557.db2.gz QEMWSSIZZVHNAW-VMIDCOPPSA-N 0 3 235.758 3.822 20 0 BHADHN CCCCCCN[C@@H](C)c1c(F)cncc1F ZINC000796627126 586108504 /nfs/dbraw/zinc/10/85/04/586108504.db2.gz RSEJVZRCEKYLCX-JTQLQIEISA-N 0 3 242.313 3.591 20 0 BHADHN CCCCCCN[C@H](C)c1c(F)cncc1F ZINC000796627129 586108714 /nfs/dbraw/zinc/10/87/14/586108714.db2.gz RSEJVZRCEKYLCX-SNVBAGLBSA-N 0 3 242.313 3.591 20 0 BHADHN CCCCCCNC(C)(C)c1c(C)noc1C ZINC000796664392 586109578 /nfs/dbraw/zinc/10/95/78/586109578.db2.gz WJDGRFSOFSYLSP-UHFFFAOYSA-N 0 3 238.375 3.696 20 0 BHADHN CC(C)CCCCCCN[C@H](C)c1ncc[nH]1 ZINC000796665084 586109784 /nfs/dbraw/zinc/10/97/84/586109784.db2.gz DOCGAVVTQCGDNZ-CYBMUJFWSA-N 0 3 237.391 3.667 20 0 BHADHN CC(C)CCCCCCN[C@@H](C)c1ncc[nH]1 ZINC000796665085 586109811 /nfs/dbraw/zinc/10/98/11/586109811.db2.gz DOCGAVVTQCGDNZ-ZDUSSCGKSA-N 0 3 237.391 3.667 20 0 BHADHN Cc1cccc(F)c1CN[C@H]1CC[C@@H]1C(C)C ZINC000796775166 586112342 /nfs/dbraw/zinc/11/23/42/586112342.db2.gz JGDYPBAMBAVAOI-DOMZBBRYSA-N 0 3 235.346 3.658 20 0 BHADHN Cc1cccc(F)c1CN[C@@H]1CC[C@@H]1C(C)C ZINC000796775170 586112241 /nfs/dbraw/zinc/11/22/41/586112241.db2.gz JGDYPBAMBAVAOI-IUODEOHRSA-N 0 3 235.346 3.658 20 0 BHADHN Cc1cccc(F)c1CN[C@@H]1CC[C@H]1C(C)C ZINC000796775173 586112327 /nfs/dbraw/zinc/11/23/27/586112327.db2.gz JGDYPBAMBAVAOI-SWLSCSKDSA-N 0 3 235.346 3.658 20 0 BHADHN Cc1cccc(F)c1CN[C@H]1CC[C@H]1C(C)C ZINC000796775177 586112264 /nfs/dbraw/zinc/11/22/64/586112264.db2.gz JGDYPBAMBAVAOI-WFASDCNBSA-N 0 3 235.346 3.658 20 0 BHADHN CCCCCC(C)(C)CN[C@H](C)c1ncc[nH]1 ZINC000796791729 586112881 /nfs/dbraw/zinc/11/28/81/586112881.db2.gz GSKXBMRPEPJZRT-GFCCVEGCSA-N 0 3 237.391 3.667 20 0 BHADHN CCCCCC(C)(C)CN[C@@H](C)c1ncc[nH]1 ZINC000796791730 586112858 /nfs/dbraw/zinc/11/28/58/586112858.db2.gz GSKXBMRPEPJZRT-LBPRGKRZSA-N 0 3 237.391 3.667 20 0 BHADHN Cc1ccccc1[C@H]1C[C@H](NCc2ccoc2)C1 ZINC000798501541 586144304 /nfs/dbraw/zinc/14/43/04/586144304.db2.gz LSFCCENQZZYAEJ-SHTZXODSSA-N 0 3 241.334 3.624 20 0 BHADHN Cc1nn(C(C)C)cc1CN1CCCCCCC1 ZINC000798940848 586154264 /nfs/dbraw/zinc/15/42/64/586154264.db2.gz NTWATBJQSKFELT-UHFFFAOYSA-N 0 3 249.402 3.539 20 0 BHADHN CCCCCCN1CCCC[C@H]1c1ccnn1C ZINC000799183682 586165340 /nfs/dbraw/zinc/16/53/40/586165340.db2.gz YOLHABZJQNHDSQ-HNNXBMFYSA-N 0 3 249.402 3.527 20 0 BHADHN CCCCCCN1CCCC[C@@H]1c1ccnn1C ZINC000799183683 586165619 /nfs/dbraw/zinc/16/56/19/586165619.db2.gz YOLHABZJQNHDSQ-OAHLLOKOSA-N 0 3 249.402 3.527 20 0 BHADHN CCCCCCN(C)Cc1cnc(C(C)C)nc1 ZINC000799334072 586171913 /nfs/dbraw/zinc/17/19/13/586171913.db2.gz OIVKFMIOSAGKIY-UHFFFAOYSA-N 0 3 249.402 3.612 20 0 BHADHN C/C(=C\c1ccccc1)CN[C@@H](C)c1ccc[nH]1 ZINC000800256068 586207311 /nfs/dbraw/zinc/20/73/11/586207311.db2.gz YLIYZZOYLZRSPC-CMPYXILNSA-N 0 3 240.350 3.769 20 0 BHADHN C/C(=C/c1ccccc1)CN[C@@H](C)c1ccc[nH]1 ZINC000800256069 586207011 /nfs/dbraw/zinc/20/70/11/586207011.db2.gz YLIYZZOYLZRSPC-FZDNWWAKSA-N 0 3 240.350 3.769 20 0 BHADHN C/C(=C/c1ccccc1)CN[C@H](C)c1ccc[nH]1 ZINC000800256070 586207552 /nfs/dbraw/zinc/20/75/52/586207552.db2.gz YLIYZZOYLZRSPC-YBEMTRGBSA-N 0 3 240.350 3.769 20 0 BHADHN C/C(=C\c1ccccc1)CN[C@H](C)c1ccc[nH]1 ZINC000800256071 586207544 /nfs/dbraw/zinc/20/75/44/586207544.db2.gz YLIYZZOYLZRSPC-YPDDLIOESA-N 0 3 240.350 3.769 20 0 BHADHN Cc1cc([C@@H](C)NC2CCCCCCC2)no1 ZINC000800311821 586211153 /nfs/dbraw/zinc/21/11/53/586211153.db2.gz RRVQISXLMPPETA-GFCCVEGCSA-N 0 3 236.359 3.747 20 0 BHADHN Cc1cc([C@H](C)NC2CCCCCCC2)no1 ZINC000800311823 586211362 /nfs/dbraw/zinc/21/13/62/586211362.db2.gz RRVQISXLMPPETA-LBPRGKRZSA-N 0 3 236.359 3.747 20 0 BHADHN Cc1cccc(F)c1CN[C@H]1CCC12CCC2 ZINC000800479719 586221932 /nfs/dbraw/zinc/22/19/32/586221932.db2.gz IJQQSIQMUVNTMD-AWEZNQCLSA-N 0 3 233.330 3.556 20 0 BHADHN Cc1cccc(F)c1CN[C@@H]1CCC12CCC2 ZINC000800479721 586221827 /nfs/dbraw/zinc/22/18/27/586221827.db2.gz IJQQSIQMUVNTMD-CQSZACIVSA-N 0 3 233.330 3.556 20 0 BHADHN CCCCCC[C@H](C)N[C@@H](C)c1cc(C)on1 ZINC000800503367 586223873 /nfs/dbraw/zinc/22/38/73/586223873.db2.gz SUBYJQQVRSDKSL-AAEUAGOBSA-N 0 3 238.375 3.993 20 0 BHADHN CCCCCC[C@@H](C)N[C@H](C)c1cc(C)on1 ZINC000800503368 586223785 /nfs/dbraw/zinc/22/37/85/586223785.db2.gz SUBYJQQVRSDKSL-DGCLKSJQSA-N 0 3 238.375 3.993 20 0 BHADHN CCCCCC[C@H](C)N[C@H](C)c1cc(C)on1 ZINC000800503369 586223405 /nfs/dbraw/zinc/22/34/05/586223405.db2.gz SUBYJQQVRSDKSL-WCQYABFASA-N 0 3 238.375 3.993 20 0 BHADHN CCCCCC[C@@H](C)N[C@@H](C)c1cc(C)on1 ZINC000800503370 586223892 /nfs/dbraw/zinc/22/38/92/586223892.db2.gz SUBYJQQVRSDKSL-YPMHNXCESA-N 0 3 238.375 3.993 20 0 BHADHN Cc1cc(CNCC(C)(C)C(F)(F)F)c(C)o1 ZINC000800888790 586235966 /nfs/dbraw/zinc/23/59/66/586235966.db2.gz JZJZEGLQOCIDEG-UHFFFAOYSA-N 0 3 249.276 3.575 20 0 BHADHN Cc1cccc(F)c1CN[C@H]1CC[C@H]1C1CCC1 ZINC000800972181 586238467 /nfs/dbraw/zinc/23/84/67/586238467.db2.gz DFPWVEBWCTYLFE-BBRMVZONSA-N 0 3 247.357 3.802 20 0 BHADHN Cc1cccc(F)c1CN[C@H]1CC[C@@H]1C1CCC1 ZINC000800972183 586238704 /nfs/dbraw/zinc/23/87/04/586238704.db2.gz DFPWVEBWCTYLFE-CJNGLKHVSA-N 0 3 247.357 3.802 20 0 BHADHN Cc1cccc(F)c1CN[C@@H]1CC[C@@H]1C1CCC1 ZINC000800972184 586238693 /nfs/dbraw/zinc/23/86/93/586238693.db2.gz DFPWVEBWCTYLFE-CZUORRHYSA-N 0 3 247.357 3.802 20 0 BHADHN Cc1cccc(F)c1CN[C@@H]1CC[C@H]1C1CCC1 ZINC000800972186 586238712 /nfs/dbraw/zinc/23/87/12/586238712.db2.gz DFPWVEBWCTYLFE-XJKSGUPXSA-N 0 3 247.357 3.802 20 0 BHADHN CC(C)SCCN1Cc2ccccc2[C@H](C)C1 ZINC000801508953 586259852 /nfs/dbraw/zinc/25/98/52/586259852.db2.gz WTDSSZAQOAJMCO-CYBMUJFWSA-N 0 3 249.423 3.747 20 0 BHADHN CC(C)SCCN1Cc2ccccc2[C@@H](C)C1 ZINC000801508958 586260069 /nfs/dbraw/zinc/26/00/69/586260069.db2.gz WTDSSZAQOAJMCO-ZDUSSCGKSA-N 0 3 249.423 3.747 20 0 BHADHN C[C@H](C1CCCCC1)N(C)C/C=C\Cl ZINC000801600796 586266104 /nfs/dbraw/zinc/26/61/04/586266104.db2.gz OKVHLGXHAPQSCR-DHHDDZJSSA-N 0 3 215.768 3.640 20 0 BHADHN C[C@H](C1CCCCC1)N(C)C/C=C/Cl ZINC000801600797 586265751 /nfs/dbraw/zinc/26/57/51/586265751.db2.gz OKVHLGXHAPQSCR-OALRPVAKSA-N 0 3 215.768 3.640 20 0 BHADHN CN(CCSC(C)(C)C)Cc1cccs1 ZINC000801911562 644845135 /nfs/dbraw/zinc/84/51/35/644845135.db2.gz MMEOUSYWSCVMMJ-UHFFFAOYSA-N 0 3 243.441 3.712 20 0 BHADHN CN(CCSC(C)(C)C)Cc1ccsc1 ZINC000801911882 644845580 /nfs/dbraw/zinc/84/55/80/644845580.db2.gz VMYNCFAQPILUHZ-UHFFFAOYSA-N 0 3 243.441 3.712 20 0 BHADHN C[C@H](c1ccco1)N(C)CCSC(C)(C)C ZINC000801914046 586276832 /nfs/dbraw/zinc/27/68/32/586276832.db2.gz RVDMPJCKGSBXFW-LLVKDONJSA-N 0 3 241.400 3.804 20 0 BHADHN C[C@@H](c1ccco1)N(C)CCSC(C)(C)C ZINC000801914047 586276804 /nfs/dbraw/zinc/27/68/04/586276804.db2.gz RVDMPJCKGSBXFW-NSHDSACASA-N 0 3 241.400 3.804 20 0 BHADHN CCN(CCSC(C)(C)C)Cc1ccoc1 ZINC000801917476 586276846 /nfs/dbraw/zinc/27/68/46/586276846.db2.gz DSXADESPXPINNS-UHFFFAOYSA-N 0 3 241.400 3.633 20 0 BHADHN CC(C)(C)SCCN1C2CCCC1CCC2 ZINC000801923547 586277844 /nfs/dbraw/zinc/27/78/44/586277844.db2.gz KAUVORAVFMWBJL-UHFFFAOYSA-N 0 3 241.444 3.925 20 0 BHADHN CC(C)(C)SCCNC1(c2ccccc2)CC1 ZINC000801938101 586279496 /nfs/dbraw/zinc/27/94/96/586279496.db2.gz YPOVTLPYOVMMJG-UHFFFAOYSA-N 0 3 249.423 3.797 20 0 BHADHN Clc1cccc2c1CN(C1CCCC1)C2 ZINC000805805865 585891124 /nfs/dbraw/zinc/89/11/24/585891124.db2.gz VJPICJCOPRTNNR-UHFFFAOYSA-N 0 3 221.731 3.598 20 0 BHADHN CCCN(C/C=C/Cl)Cc1ccccc1 ZINC000807256748 586430365 /nfs/dbraw/zinc/43/03/65/586430365.db2.gz ZPNQHTUVKYOKHU-RMKNXTFCSA-N 0 3 223.747 3.651 20 0 BHADHN CCCN(C/C=C\Cl)Cc1ccccc1 ZINC000807256749 586430563 /nfs/dbraw/zinc/43/05/63/586430563.db2.gz ZPNQHTUVKYOKHU-TWGQIWQCSA-N 0 3 223.747 3.651 20 0 BHADHN CN(C/C=C/Cl)[C@@H]1CCCc2ccccc21 ZINC000807266803 586431280 /nfs/dbraw/zinc/43/12/80/586431280.db2.gz GOULCHSSQPKDBL-AZWQULSGSA-N 0 3 235.758 3.748 20 0 BHADHN CN(C/C=C\Cl)[C@H]1CCCc2ccccc21 ZINC000807266804 586430890 /nfs/dbraw/zinc/43/08/90/586430890.db2.gz GOULCHSSQPKDBL-MFNCVGGLSA-N 0 3 235.758 3.748 20 0 BHADHN CN(C/C=C/Cl)[C@H]1CCCc2ccccc21 ZINC000807266805 586431304 /nfs/dbraw/zinc/43/13/04/586431304.db2.gz GOULCHSSQPKDBL-SEIPJRMCSA-N 0 3 235.758 3.748 20 0 BHADHN CN(C/C=C\Cl)[C@@H]1CCCc2ccccc21 ZINC000807266806 586431275 /nfs/dbraw/zinc/43/12/75/586431275.db2.gz GOULCHSSQPKDBL-XTXQVDMPSA-N 0 3 235.758 3.748 20 0 BHADHN CCCN(CCC(=O)C(C)C)Cc1ccccc1 ZINC000808705235 586483399 /nfs/dbraw/zinc/48/33/99/586483399.db2.gz BQZPWKMNRHPJDF-UHFFFAOYSA-N 0 3 247.382 3.514 20 0 BHADHN C[C@H](N[C@@H]1C[C@@H](C)c2ccccc21)c1ccc[nH]1 ZINC000808707839 586483267 /nfs/dbraw/zinc/48/32/67/586483267.db2.gz AFQVDYCURHBRPZ-BFQNTYOBSA-N 0 3 240.350 3.914 20 0 BHADHN C[C@@H](N[C@H]1C[C@@H](C)c2ccccc21)c1ccc[nH]1 ZINC000808707840 586483259 /nfs/dbraw/zinc/48/32/59/586483259.db2.gz AFQVDYCURHBRPZ-HSMVNMDESA-N 0 3 240.350 3.914 20 0 BHADHN C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)c1ccc[nH]1 ZINC000808707841 586483520 /nfs/dbraw/zinc/48/35/20/586483520.db2.gz AFQVDYCURHBRPZ-WQGACYEGSA-N 0 3 240.350 3.914 20 0 BHADHN C[C@@H](N[C@@H]1C[C@@H](C)c2ccccc21)c1ccc[nH]1 ZINC000808707842 586483500 /nfs/dbraw/zinc/48/35/00/586483500.db2.gz AFQVDYCURHBRPZ-XHBSWPGZSA-N 0 3 240.350 3.914 20 0 BHADHN Cc1ccc([C@H](C)N(C)CCC(=O)C(C)C)cc1 ZINC000808708219 586483215 /nfs/dbraw/zinc/48/32/15/586483215.db2.gz DFCLCSCDQGIXCM-AWEZNQCLSA-N 0 3 247.382 3.603 20 0 BHADHN Cc1ccc([C@@H](C)N(C)CCC(=O)C(C)C)cc1 ZINC000808708225 586483136 /nfs/dbraw/zinc/48/31/36/586483136.db2.gz DFCLCSCDQGIXCM-CQSZACIVSA-N 0 3 247.382 3.603 20 0 BHADHN CCCC[C@@H](C)[C@H](C)NCc1cccc(F)n1 ZINC000808709573 586483280 /nfs/dbraw/zinc/48/32/80/586483280.db2.gz XQZAPHQAWREECD-NEPJUHHUSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@H](C)[C@@H](C)NCc1cccc(F)n1 ZINC000808709579 586482978 /nfs/dbraw/zinc/48/29/78/586482978.db2.gz XQZAPHQAWREECD-NWDGAFQWSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@H](C)[C@H](C)NCc1cccc(F)n1 ZINC000808709581 586483405 /nfs/dbraw/zinc/48/34/05/586483405.db2.gz XQZAPHQAWREECD-RYUDHWBXSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@@H](C)[C@@H](C)NCc1cccc(F)n1 ZINC000808709582 586483347 /nfs/dbraw/zinc/48/33/47/586483347.db2.gz XQZAPHQAWREECD-VXGBXAGGSA-N 0 3 238.350 3.525 20 0 BHADHN CC(C)C(=O)CCN(Cc1ccccc1)C(C)C ZINC000808710288 586483618 /nfs/dbraw/zinc/48/36/18/586483618.db2.gz OVPLHFBRUDGTIP-UHFFFAOYSA-N 0 3 247.382 3.512 20 0 BHADHN CCCC[C@@H](C)[C@H](C)NCc1cccnc1F ZINC000808719594 586484245 /nfs/dbraw/zinc/48/42/45/586484245.db2.gz YHJXFSDNBZWLMS-NEPJUHHUSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@H](C)[C@@H](C)NCc1cccnc1F ZINC000808719595 586484702 /nfs/dbraw/zinc/48/47/02/586484702.db2.gz YHJXFSDNBZWLMS-NWDGAFQWSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@H](C)[C@H](C)NCc1cccnc1F ZINC000808719596 586484602 /nfs/dbraw/zinc/48/46/02/586484602.db2.gz YHJXFSDNBZWLMS-RYUDHWBXSA-N 0 3 238.350 3.525 20 0 BHADHN CCCC[C@@H](C)[C@@H](C)NCc1cccnc1F ZINC000808719598 586484259 /nfs/dbraw/zinc/48/42/59/586484259.db2.gz YHJXFSDNBZWLMS-VXGBXAGGSA-N 0 3 238.350 3.525 20 0 BHADHN CCC(CC)N(CC)Cc1cccnc1Cl ZINC000808782193 586489970 /nfs/dbraw/zinc/48/99/70/586489970.db2.gz JDKWPRXUKIJURU-UHFFFAOYSA-N 0 3 240.778 3.746 20 0 BHADHN CCC(CC)N(CC)Cc1ncc(C(C)C)o1 ZINC000808782400 586489861 /nfs/dbraw/zinc/48/98/61/586489861.db2.gz RICJAIORTLETAE-UHFFFAOYSA-N 0 3 238.375 3.809 20 0 BHADHN CCC(CC)N(CC)Cc1cnc(Cl)s1 ZINC000808782481 586489856 /nfs/dbraw/zinc/48/98/56/586489856.db2.gz VIELNHNDHOVARE-UHFFFAOYSA-N 0 3 246.807 3.807 20 0 BHADHN CCCCCCN1CCCc2occc2C1 ZINC000808795159 586490378 /nfs/dbraw/zinc/49/03/78/586490378.db2.gz JKPKHPFEOYMZGX-UHFFFAOYSA-N 0 3 221.344 3.608 20 0 BHADHN CCCCCCN1CCC=C(c2cccnc2)C1 ZINC000809568381 586507375 /nfs/dbraw/zinc/50/73/75/586507375.db2.gz MNTIJPOECIGABX-UHFFFAOYSA-N 0 3 244.382 3.751 20 0 BHADHN Cc1cc(CN2CCC3(CCC3)CC2)c(C)o1 ZINC000809706853 586514081 /nfs/dbraw/zinc/51/40/81/586514081.db2.gz LZVARSHLWZUIPS-UHFFFAOYSA-N 0 3 233.355 3.663 20 0 BHADHN C[C@H]1C[C@@H](c2ccccc2)N(Cc2ccoc2)C1 ZINC000809715933 586514233 /nfs/dbraw/zinc/51/42/33/586514233.db2.gz OOUNISUHZYILRZ-BBRMVZONSA-N 0 3 241.334 3.863 20 0 BHADHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccoc2)C1 ZINC000809715935 586514142 /nfs/dbraw/zinc/51/41/42/586514142.db2.gz OOUNISUHZYILRZ-CJNGLKHVSA-N 0 3 241.334 3.863 20 0 BHADHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccoc2)C1 ZINC000809715937 586514161 /nfs/dbraw/zinc/51/41/61/586514161.db2.gz OOUNISUHZYILRZ-CZUORRHYSA-N 0 3 241.334 3.863 20 0 BHADHN C[C@H]1C[C@H](c2ccccc2)N(Cc2ccoc2)C1 ZINC000809715939 586514178 /nfs/dbraw/zinc/51/41/78/586514178.db2.gz OOUNISUHZYILRZ-XJKSGUPXSA-N 0 3 241.334 3.863 20 0 BHADHN CCC(CC)N(CC)Cc1coc(C2CC2)n1 ZINC000809787523 586519652 /nfs/dbraw/zinc/51/96/52/586519652.db2.gz GUHHVDQNCRLIDT-UHFFFAOYSA-N 0 3 236.359 3.563 20 0 BHADHN CCCC[C@@H](C)N(C)C[C@H]1CC1(Cl)Cl ZINC000810125289 586534808 /nfs/dbraw/zinc/53/48/08/586534808.db2.gz RWNYHQVXLJSKNV-NXEZZACHSA-N 0 3 238.202 3.691 20 0 BHADHN CCCC[C@H](C)N(C)C[C@@H]1CC1(Cl)Cl ZINC000810125290 586534814 /nfs/dbraw/zinc/53/48/14/586534814.db2.gz RWNYHQVXLJSKNV-UWVGGRQHSA-N 0 3 238.202 3.691 20 0 BHADHN CCCC[C@H](C)N(C)C[C@H]1CC1(Cl)Cl ZINC000810125291 586535038 /nfs/dbraw/zinc/53/50/38/586535038.db2.gz RWNYHQVXLJSKNV-VHSXEESVSA-N 0 3 238.202 3.691 20 0 BHADHN CCCC[C@@H](C)N(C)C[C@@H]1CC1(Cl)Cl ZINC000810125292 586534796 /nfs/dbraw/zinc/53/47/96/586534796.db2.gz RWNYHQVXLJSKNV-ZJUUUORDSA-N 0 3 238.202 3.691 20 0 BHADHN Cc1cc(CN2CC(C)(C)[C@@H]2C2CC2)c(C)o1 ZINC000811513605 586560414 /nfs/dbraw/zinc/56/04/14/586560414.db2.gz LGYVKGQSLCTWOC-AWEZNQCLSA-N 0 3 233.355 3.517 20 0 BHADHN Cc1cc(CN2CC(C)(C)[C@H]2C2CC2)c(C)o1 ZINC000811513607 586560431 /nfs/dbraw/zinc/56/04/31/586560431.db2.gz LGYVKGQSLCTWOC-CQSZACIVSA-N 0 3 233.355 3.517 20 0 BHADHN Cc1cc(CN2CC3(CCC3)[C@@H]2C2CC2)c(C)o1 ZINC000811513908 586560409 /nfs/dbraw/zinc/56/04/09/586560409.db2.gz VOPMZLZJUCLQDO-HNNXBMFYSA-N 0 3 245.366 3.661 20 0 BHADHN Cc1cc(CN2CC3(CCC3)[C@H]2C2CC2)c(C)o1 ZINC000811513909 582468799 /nfs/dbraw/zinc/46/87/99/582468799.db2.gz VOPMZLZJUCLQDO-OAHLLOKOSA-N 0 3 245.366 3.661 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1ccc(F)nc1C ZINC000811520732 586560505 /nfs/dbraw/zinc/56/05/05/586560505.db2.gz TWNANAGJDJTCAQ-LLVKDONJSA-N 0 3 238.350 3.540 20 0 BHADHN CCCC[C@H](C)N(C)Cc1ccc(F)nc1C ZINC000811520733 586560539 /nfs/dbraw/zinc/56/05/39/586560539.db2.gz TWNANAGJDJTCAQ-NSHDSACASA-N 0 3 238.350 3.540 20 0 BHADHN Cc1cc(CCNCc2ccoc2)ccc1Cl ZINC000812772518 586584098 /nfs/dbraw/zinc/58/40/98/586584098.db2.gz GDQJNSHUZZHIBN-UHFFFAOYSA-N 0 3 249.741 3.574 20 0 BHADHN C[C@@H]1CC[C@@H]1NCc1ccc(C2CC2)cc1F ZINC000813873908 586608574 /nfs/dbraw/zinc/60/85/74/586608574.db2.gz AQBIXWDAXLQTAV-BMIGLBTASA-N 0 3 233.330 3.591 20 0 BHADHN C[C@H]1CC[C@@H]1NCc1ccc(C2CC2)cc1F ZINC000813873915 586608649 /nfs/dbraw/zinc/60/86/49/586608649.db2.gz AQBIXWDAXLQTAV-BONVTDFDSA-N 0 3 233.330 3.591 20 0 BHADHN C[C@@H]1CC[C@H]1NCc1ccc(C2CC2)cc1F ZINC000813873917 586608636 /nfs/dbraw/zinc/60/86/36/586608636.db2.gz AQBIXWDAXLQTAV-MEBBXXQBSA-N 0 3 233.330 3.591 20 0 BHADHN C[C@H]1CC[C@H]1NCc1ccc(C2CC2)cc1F ZINC000813873919 586608543 /nfs/dbraw/zinc/60/85/43/586608543.db2.gz AQBIXWDAXLQTAV-ZUZCIYMTSA-N 0 3 233.330 3.591 20 0 BHADHN Cc1cc(CN2CC3(CCC3)[C@@H]2C(C)C)c(C)o1 ZINC000814171477 586615476 /nfs/dbraw/zinc/61/54/76/586615476.db2.gz QJNGQWSIJPMINS-HNNXBMFYSA-N 0 3 247.382 3.907 20 0 BHADHN Cc1cc(CN2CC3(CCC3)[C@H]2C(C)C)c(C)o1 ZINC000814171478 586615297 /nfs/dbraw/zinc/61/52/97/586615297.db2.gz QJNGQWSIJPMINS-OAHLLOKOSA-N 0 3 247.382 3.907 20 0 BHADHN Cc1cc(CN2CCC(C3CC3)CC2)c(C)o1 ZINC000814172661 586615453 /nfs/dbraw/zinc/61/54/53/586615453.db2.gz XUWZVOVWKPFXAA-UHFFFAOYSA-N 0 3 233.355 3.518 20 0 BHADHN C[C@@H](CF)NCc1ccccc1-c1ccccc1 ZINC000814299375 586621057 /nfs/dbraw/zinc/62/10/57/586621057.db2.gz FUEXVUGYTHDDLS-ZDUSSCGKSA-N 0 3 243.325 3.801 20 0 BHADHN CCc1ccc([C@@H]2CCN(C/C=C\Cl)C2)cc1 ZINC000814641282 586627068 /nfs/dbraw/zinc/62/70/68/586627068.db2.gz DRPGTCZICSERQY-ACRUDFBXSA-N 0 3 249.785 3.791 20 0 BHADHN CCc1ccc([C@H]2CCN(C/C=C/Cl)C2)cc1 ZINC000814641283 586627040 /nfs/dbraw/zinc/62/70/40/586627040.db2.gz DRPGTCZICSERQY-RUFWOKOUSA-N 0 3 249.785 3.791 20 0 BHADHN CCc1ccc([C@@H]2CCN(C/C=C/Cl)C2)cc1 ZINC000814641284 586627289 /nfs/dbraw/zinc/62/72/89/586627289.db2.gz DRPGTCZICSERQY-RUGXIKGKSA-N 0 3 249.785 3.791 20 0 BHADHN CCc1ccc([C@H]2CCN(C/C=C\Cl)C2)cc1 ZINC000814641285 586626851 /nfs/dbraw/zinc/62/68/51/586626851.db2.gz DRPGTCZICSERQY-YHTRPRNISA-N 0 3 249.785 3.791 20 0 BHADHN Cl/C=C/CN1CCC[C@H](c2ccccc2)C1 ZINC000814642495 586626615 /nfs/dbraw/zinc/62/66/15/586626615.db2.gz QYTVTOGAVONPSU-KVEVGEHQSA-N 0 3 235.758 3.619 20 0 BHADHN Cl/C=C\CN1CCC[C@H](c2ccccc2)C1 ZINC000814642501 586626969 /nfs/dbraw/zinc/62/69/69/586626969.db2.gz QYTVTOGAVONPSU-UQYHUFHVSA-N 0 3 235.758 3.619 20 0 BHADHN Cl/C=C\CN1CCC[C@@H](c2ccccc2)C1 ZINC000814642502 586627093 /nfs/dbraw/zinc/62/70/93/586627093.db2.gz QYTVTOGAVONPSU-VYLZPFMQSA-N 0 3 235.758 3.619 20 0 BHADHN Cl/C=C/CN1CCC[C@@H](c2ccccc2)C1 ZINC000814642503 586627179 /nfs/dbraw/zinc/62/71/79/586627179.db2.gz QYTVTOGAVONPSU-VZUFXWRPSA-N 0 3 235.758 3.619 20 0 BHADHN CCCCCCNCc1cc(OC)ccc1F ZINC000815111252 586666920 /nfs/dbraw/zinc/66/69/20/586666920.db2.gz KRYJNQZZAYXDTB-UHFFFAOYSA-N 0 3 239.334 3.504 20 0 BHADHN Cc1sccc1CNCc1c(C)cccc1C ZINC000815129115 586669063 /nfs/dbraw/zinc/66/90/63/586669063.db2.gz GNBXPJKBCZDMAH-UHFFFAOYSA-N 0 3 245.391 3.963 20 0 BHADHN Cc1cc(Cl)cc(CN[C@H](C)c2ccc[nH]2)c1 ZINC000815132635 586668746 /nfs/dbraw/zinc/66/87/46/586668746.db2.gz GTRPEDRTJPTNQT-LLVKDONJSA-N 0 3 248.757 3.827 20 0 BHADHN Cc1cc(Cl)cc(CN[C@@H](C)c2ccc[nH]2)c1 ZINC000815132636 586669162 /nfs/dbraw/zinc/66/91/62/586669162.db2.gz GTRPEDRTJPTNQT-NSHDSACASA-N 0 3 248.757 3.827 20 0 BHADHN Cc1cc(CNC2CC(C(C)(C)C)C2)c(C)o1 ZINC000815146318 586670582 /nfs/dbraw/zinc/67/05/82/586670582.db2.gz DMJNJAIAMJRYIA-UHFFFAOYSA-N 0 3 235.371 3.811 20 0 BHADHN Cc1ccccc1C(C)(C)NCc1ccoc1 ZINC000815151216 586670229 /nfs/dbraw/zinc/67/02/29/586670229.db2.gz LZCVMLWWZDUMLP-UHFFFAOYSA-N 0 3 229.323 3.613 20 0 BHADHN CC(C)C[C@@H](C)NCc1c(F)cc(F)cc1F ZINC000815152082 586670104 /nfs/dbraw/zinc/67/01/04/586670104.db2.gz NFHFGHUTCSDUMG-SECBINFHSA-N 0 3 245.288 3.628 20 0 BHADHN CC(C)C[C@H](C)NCc1c(F)cc(F)cc1F ZINC000815152085 586670639 /nfs/dbraw/zinc/67/06/39/586670639.db2.gz NFHFGHUTCSDUMG-VIFPVBQESA-N 0 3 245.288 3.628 20 0 BHADHN CCC(CC)CNCc1c(F)cc(F)cc1F ZINC000815152389 586670644 /nfs/dbraw/zinc/67/06/44/586670644.db2.gz NYTIPJHJGYQOIQ-UHFFFAOYSA-N 0 3 245.288 3.630 20 0 BHADHN CCC[C@@H](C)CNCc1c(F)cc(F)cc1F ZINC000815152444 586670662 /nfs/dbraw/zinc/67/06/62/586670662.db2.gz TUHCCOOZIHQKLU-SECBINFHSA-N 0 3 245.288 3.630 20 0 BHADHN CCC[C@H](C)CNCc1c(F)cc(F)cc1F ZINC000815152445 586670179 /nfs/dbraw/zinc/67/01/79/586670179.db2.gz TUHCCOOZIHQKLU-VIFPVBQESA-N 0 3 245.288 3.630 20 0 BHADHN CC(C)CCCNCc1c(F)cc(F)cc1F ZINC000815152755 586670453 /nfs/dbraw/zinc/67/04/53/586670453.db2.gz VFVDHZDNNZYSFO-UHFFFAOYSA-N 0 3 245.288 3.630 20 0 BHADHN C[C@@H]1CN(Cc2csc3ccccc23)[C@@H]1C ZINC000815162570 586671966 /nfs/dbraw/zinc/67/19/66/586671966.db2.gz KWWBUSOOCXXPML-GHMZBOCLSA-N 0 3 231.364 3.742 20 0 BHADHN C[C@@H]1CN(Cc2csc3ccccc23)[C@H]1C ZINC000815162573 586671233 /nfs/dbraw/zinc/67/12/33/586671233.db2.gz KWWBUSOOCXXPML-MNOVXSKESA-N 0 3 231.364 3.742 20 0 BHADHN C[C@H]1CN(Cc2csc3ccccc23)[C@H]1C ZINC000815162575 586671663 /nfs/dbraw/zinc/67/16/63/586671663.db2.gz KWWBUSOOCXXPML-QWRGUYRKSA-N 0 3 231.364 3.742 20 0 BHADHN C[C@@H]1[C@@H](C)CN1Cc1csc2ccccc12 ZINC000815162577 586671514 /nfs/dbraw/zinc/67/15/14/586671514.db2.gz KWWBUSOOCXXPML-WDEREUQCSA-N 0 3 231.364 3.742 20 0 BHADHN CC(C)COc1ccccc1CN1C[C@H](C)[C@@H]1C ZINC000815163561 586671902 /nfs/dbraw/zinc/67/19/02/586671902.db2.gz STTVFCZORPDLLF-KBPBESRZSA-N 0 3 247.382 3.562 20 0 BHADHN CC(C)COc1ccccc1CN1C[C@@H](C)[C@@H]1C ZINC000815163563 586671209 /nfs/dbraw/zinc/67/12/09/586671209.db2.gz STTVFCZORPDLLF-KGLIPLIRSA-N 0 3 247.382 3.562 20 0 BHADHN CC(C)COc1ccccc1CN1C[C@H](C)[C@H]1C ZINC000815163565 586671729 /nfs/dbraw/zinc/67/17/29/586671729.db2.gz STTVFCZORPDLLF-UONOGXRCSA-N 0 3 247.382 3.562 20 0 BHADHN CC(C)COc1ccccc1CN1C[C@@H](C)[C@H]1C ZINC000815163572 586671817 /nfs/dbraw/zinc/67/18/17/586671817.db2.gz STTVFCZORPDLLF-ZIAGYGMSSA-N 0 3 247.382 3.562 20 0 BHADHN C[C@@H]1CN([C@H]2CCc3cc(Cl)ccc32)[C@H]1C ZINC000815163748 586671622 /nfs/dbraw/zinc/67/16/22/586671622.db2.gz UWZBLDFKPZLHAJ-BFVZDQMLSA-N 0 3 235.758 3.668 20 0 BHADHN C[C@@H]1CN([C@@H]2CCc3cc(Cl)ccc32)[C@@H]1C ZINC000815163755 586671712 /nfs/dbraw/zinc/67/17/12/586671712.db2.gz UWZBLDFKPZLHAJ-GPCCPHFNSA-N 0 3 235.758 3.668 20 0 BHADHN C[C@@H]1CN([C@@H]2CCc3cc(Cl)ccc32)[C@H]1C ZINC000815163756 586671933 /nfs/dbraw/zinc/67/19/33/586671933.db2.gz UWZBLDFKPZLHAJ-ISTVAULSSA-N 0 3 235.758 3.668 20 0 BHADHN C[C@@H]1CN([C@H]2CCc3cc(Cl)ccc32)[C@@H]1C ZINC000815163757 586671632 /nfs/dbraw/zinc/67/16/32/586671632.db2.gz UWZBLDFKPZLHAJ-RULNRJAQSA-N 0 3 235.758 3.668 20 0 BHADHN C[C@H](CN1C[C@@H](C)[C@H]1C)c1cccc(Cl)c1 ZINC000815164089 586672593 /nfs/dbraw/zinc/67/25/93/586672593.db2.gz YLICSIWHZSXBMP-IJLUTSLNSA-N 0 3 237.774 3.784 20 0 BHADHN C[C@H](CN1C[C@H](C)[C@H]1C)c1cccc(Cl)c1 ZINC000815164098 586672285 /nfs/dbraw/zinc/67/22/85/586672285.db2.gz YLICSIWHZSXBMP-QJPTWQEYSA-N 0 3 237.774 3.784 20 0 BHADHN C[C@H](CN1C[C@H](C)[C@@H]1C)c1cccc(Cl)c1 ZINC000815164100 586672236 /nfs/dbraw/zinc/67/22/36/586672236.db2.gz YLICSIWHZSXBMP-TUAOUCFPSA-N 0 3 237.774 3.784 20 0 BHADHN C[C@H](CN1C[C@@H](C)[C@@H]1C)c1cccc(Cl)c1 ZINC000815164101 586672195 /nfs/dbraw/zinc/67/21/95/586672195.db2.gz YLICSIWHZSXBMP-UTUOFQBUSA-N 0 3 237.774 3.784 20 0 BHADHN C[C@@H]1CN(Cc2cc3ccccc3s2)[C@@H]1C ZINC000815166037 586672440 /nfs/dbraw/zinc/67/24/40/586672440.db2.gz YFAQJWIFGGDJQR-GHMZBOCLSA-N 0 3 231.364 3.742 20 0 BHADHN C[C@@H]1CN(Cc2cc3ccccc3s2)[C@H]1C ZINC000815166038 586672423 /nfs/dbraw/zinc/67/24/23/586672423.db2.gz YFAQJWIFGGDJQR-MNOVXSKESA-N 0 3 231.364 3.742 20 0 BHADHN C[C@H]1CN(Cc2cc3ccccc3s2)[C@H]1C ZINC000815166039 586672192 /nfs/dbraw/zinc/67/21/92/586672192.db2.gz YFAQJWIFGGDJQR-QWRGUYRKSA-N 0 3 231.364 3.742 20 0 BHADHN C[C@@H]1[C@@H](C)CN1Cc1cc2ccccc2s1 ZINC000815166040 586672248 /nfs/dbraw/zinc/67/22/48/586672248.db2.gz YFAQJWIFGGDJQR-WDEREUQCSA-N 0 3 231.364 3.742 20 0 BHADHN Cc1cc(F)ccc1[C@@H](C)NCc1ccccc1 ZINC000815553861 586687698 /nfs/dbraw/zinc/68/76/98/586687698.db2.gz LVAASKGSBWQZII-CYBMUJFWSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1cc(F)ccc1[C@H](C)NCc1ccccc1 ZINC000815553862 586687826 /nfs/dbraw/zinc/68/78/26/586687826.db2.gz LVAASKGSBWQZII-ZDUSSCGKSA-N 0 3 243.325 3.985 20 0 BHADHN Cc1cc(F)ccc1[C@@H](C)NCCC(F)(F)F ZINC000815587914 586688103 /nfs/dbraw/zinc/68/81/03/586688103.db2.gz XGKVMLQAWIFJAH-SECBINFHSA-N 0 3 249.251 3.737 20 0 BHADHN Cc1cc(F)ccc1[C@H](C)NCCC(F)(F)F ZINC000815587915 586688323 /nfs/dbraw/zinc/68/83/23/586688323.db2.gz XGKVMLQAWIFJAH-VIFPVBQESA-N 0 3 249.251 3.737 20 0 BHADHN Cc1cc(F)ccc1[C@@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000815599047 586688807 /nfs/dbraw/zinc/68/88/07/586688807.db2.gz JMTUXZPDUJAQSI-NEPJUHHUSA-N 0 3 246.329 3.874 20 0 BHADHN Cc1cc(F)ccc1[C@H](C)N[C@H](C)c1ccc[nH]1 ZINC000815599048 586688846 /nfs/dbraw/zinc/68/88/46/586688846.db2.gz JMTUXZPDUJAQSI-NWDGAFQWSA-N 0 3 246.329 3.874 20 0 BHADHN Cc1cc(F)ccc1[C@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000815599049 586688854 /nfs/dbraw/zinc/68/88/54/586688854.db2.gz JMTUXZPDUJAQSI-RYUDHWBXSA-N 0 3 246.329 3.874 20 0 BHADHN Cc1cc(F)ccc1[C@@H](C)N[C@H](C)c1ccc[nH]1 ZINC000815599050 586688696 /nfs/dbraw/zinc/68/86/96/586688696.db2.gz JMTUXZPDUJAQSI-VXGBXAGGSA-N 0 3 246.329 3.874 20 0 BHADHN Cc1cc(F)ccc1[C@@H](C)NC1CC(F)(F)C1 ZINC000815620074 586689059 /nfs/dbraw/zinc/68/90/59/586689059.db2.gz GZLFKMDLLXVKSU-SECBINFHSA-N 0 3 243.272 3.582 20 0 BHADHN Cc1cc(F)ccc1[C@H](C)NC1CC(F)(F)C1 ZINC000815620075 586689123 /nfs/dbraw/zinc/68/91/23/586689123.db2.gz GZLFKMDLLXVKSU-VIFPVBQESA-N 0 3 243.272 3.582 20 0 BHADHN CCCCC[C@@H](C)NCc1c(CC)noc1C ZINC000815641124 586689870 /nfs/dbraw/zinc/68/98/70/586689870.db2.gz QAMVESCXMHWGGF-LLVKDONJSA-N 0 3 238.375 3.604 20 0 BHADHN CCCCC[C@H](C)NCc1c(CC)noc1C ZINC000815641125 586689901 /nfs/dbraw/zinc/68/99/01/586689901.db2.gz QAMVESCXMHWGGF-NSHDSACASA-N 0 3 238.375 3.604 20 0 BHADHN C[C@@H](NCc1c(F)cc(F)cc1F)C(C)(C)C ZINC000815649597 586690284 /nfs/dbraw/zinc/69/02/84/586690284.db2.gz UKTPXVSTDVEKDH-MRVPVSSYSA-N 0 3 245.288 3.628 20 0 BHADHN C[C@H](NCc1c(F)cc(F)cc1F)C(C)(C)C ZINC000815649598 586690014 /nfs/dbraw/zinc/69/00/14/586690014.db2.gz UKTPXVSTDVEKDH-QMMMGPOBSA-N 0 3 245.288 3.628 20 0 BHADHN CCC[C@H](CC)NCc1c(F)cc(F)cc1F ZINC000815649847 586690472 /nfs/dbraw/zinc/69/04/72/586690472.db2.gz AFHWSGLHMYLSBJ-JTQLQIEISA-N 0 3 245.288 3.772 20 0 BHADHN CCC[C@@H](CC)NCc1c(F)cc(F)cc1F ZINC000815649848 586690497 /nfs/dbraw/zinc/69/04/97/586690497.db2.gz AFHWSGLHMYLSBJ-SNVBAGLBSA-N 0 3 245.288 3.772 20 0 BHADHN CC[C@@H](NCc1c(F)cc(F)cc1F)C(C)C ZINC000815650308 586690032 /nfs/dbraw/zinc/69/00/32/586690032.db2.gz OBPAPACYZBWICE-CYBMUJFWSA-N 0 3 245.288 3.628 20 0 BHADHN CC[C@H](NCc1c(F)cc(F)cc1F)C(C)C ZINC000815650309 586690479 /nfs/dbraw/zinc/69/04/79/586690479.db2.gz OBPAPACYZBWICE-ZDUSSCGKSA-N 0 3 245.288 3.628 20 0 BHADHN CC[C@@H](C)[C@H](C)NCc1c(F)cc(F)cc1F ZINC000815650433 586690035 /nfs/dbraw/zinc/69/00/35/586690035.db2.gz RHCFQUYCQWLOGM-BDAKNGLRSA-N 0 3 245.288 3.628 20 0 BHADHN CC[C@H](C)[C@@H](C)NCc1c(F)cc(F)cc1F ZINC000815650434 586690011 /nfs/dbraw/zinc/69/00/11/586690011.db2.gz RHCFQUYCQWLOGM-DTWKUNHWSA-N 0 3 245.288 3.628 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1c(F)cc(F)cc1F ZINC000815650435 586690484 /nfs/dbraw/zinc/69/04/84/586690484.db2.gz RHCFQUYCQWLOGM-IUCAKERBSA-N 0 3 245.288 3.628 20 0 BHADHN CC[C@@H](C)[C@@H](C)NCc1c(F)cc(F)cc1F ZINC000815650436 586690333 /nfs/dbraw/zinc/69/03/33/586690333.db2.gz RHCFQUYCQWLOGM-RKDXNWHRSA-N 0 3 245.288 3.628 20 0 BHADHN CCCC[C@@H](C)NCc1c(F)cc(F)cc1F ZINC000815650644 586690157 /nfs/dbraw/zinc/69/01/57/586690157.db2.gz XTAOCKJOCWKTAG-SECBINFHSA-N 0 3 245.288 3.772 20 0 BHADHN CCCC[C@H](C)NCc1c(F)cc(F)cc1F ZINC000815650645 586690048 /nfs/dbraw/zinc/69/00/48/586690048.db2.gz XTAOCKJOCWKTAG-VIFPVBQESA-N 0 3 245.288 3.772 20 0 BHADHN Cc1nocc1CN(C)C1CCCCCCC1 ZINC000816499722 586736659 /nfs/dbraw/zinc/73/66/59/586736659.db2.gz YOLLDMCLZDAPJZ-UHFFFAOYSA-N 0 3 236.359 3.528 20 0 BHADHN c1cc(CN2CCC[C@H](c3ccccc3)C2)co1 ZINC000816619710 586745424 /nfs/dbraw/zinc/74/54/24/586745424.db2.gz RHLFPKXOZSKDOX-INIZCTEOSA-N 0 3 241.334 3.659 20 0 BHADHN c1cc(CN2CCC[C@@H](c3ccccc3)C2)co1 ZINC000816619711 586745475 /nfs/dbraw/zinc/74/54/75/586745475.db2.gz RHLFPKXOZSKDOX-MRXNPFEDSA-N 0 3 241.334 3.659 20 0 BHADHN CC(C)=CCC[C@@H](C)CCN(C)CCF ZINC000816639981 586747225 /nfs/dbraw/zinc/74/72/25/586747225.db2.gz NVYSIAMQGDDNMV-CYBMUJFWSA-N 0 3 215.356 3.660 20 0 BHADHN CC(C)=CCC[C@H](C)CCN(C)CCF ZINC000816639982 586747145 /nfs/dbraw/zinc/74/71/45/586747145.db2.gz NVYSIAMQGDDNMV-ZDUSSCGKSA-N 0 3 215.356 3.660 20 0 BHADHN C[C@@H]1CN(Cc2ccc(-c3ccccc3)o2)[C@@H]1C ZINC000816646512 586749128 /nfs/dbraw/zinc/74/91/28/586749128.db2.gz FMINIQYMECHIBR-CHWSQXEVSA-N 0 3 241.334 3.787 20 0 BHADHN C[C@@H]1CN(Cc2ccc(-c3ccccc3)o2)[C@H]1C ZINC000816646513 586749329 /nfs/dbraw/zinc/74/93/29/586749329.db2.gz FMINIQYMECHIBR-OLZOCXBDSA-N 0 3 241.334 3.787 20 0 BHADHN C[C@@H]1[C@@H](C)CN1Cc1ccc(-c2ccccc2)o1 ZINC000816646514 586749496 /nfs/dbraw/zinc/74/94/96/586749496.db2.gz FMINIQYMECHIBR-QWHCGFSZSA-N 0 3 241.334 3.787 20 0 BHADHN C[C@H]1CN(Cc2ccc(-c3ccccc3)o2)[C@H]1C ZINC000816646515 586749064 /nfs/dbraw/zinc/74/90/64/586749064.db2.gz FMINIQYMECHIBR-STQMWFEESA-N 0 3 241.334 3.787 20 0 BHADHN CC(C)COc1ccc(CN2C[C@H](C)[C@@H]2C)cc1 ZINC000816647670 586750067 /nfs/dbraw/zinc/75/00/67/586750067.db2.gz WOQUVAKEONOSNA-KBPBESRZSA-N 0 3 247.382 3.562 20 0 BHADHN CC(C)COc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1 ZINC000816647671 586750946 /nfs/dbraw/zinc/75/09/46/586750946.db2.gz WOQUVAKEONOSNA-KGLIPLIRSA-N 0 3 247.382 3.562 20 0 BHADHN CC(C)COc1ccc(CN2C[C@H](C)[C@H]2C)cc1 ZINC000816647672 586750546 /nfs/dbraw/zinc/75/05/46/586750546.db2.gz WOQUVAKEONOSNA-UONOGXRCSA-N 0 3 247.382 3.562 20 0 BHADHN CC(C)COc1ccc(CN2C[C@@H](C)[C@H]2C)cc1 ZINC000816647673 586750584 /nfs/dbraw/zinc/75/05/84/586750584.db2.gz WOQUVAKEONOSNA-ZIAGYGMSSA-N 0 3 247.382 3.562 20 0 BHADHN Cc1oc2ccccc2c1CN1C[C@@H](C)[C@H]1C ZINC000816647946 586750013 /nfs/dbraw/zinc/75/00/13/586750013.db2.gz BBMGQDPETVPQTE-GHMZBOCLSA-N 0 3 229.323 3.581 20 0 BHADHN Cc1oc2ccccc2c1CN1C[C@@H](C)[C@@H]1C ZINC000816647947 586749873 /nfs/dbraw/zinc/74/98/73/586749873.db2.gz BBMGQDPETVPQTE-MNOVXSKESA-N 0 3 229.323 3.581 20 0 BHADHN Cc1oc2ccccc2c1CN1C[C@H](C)[C@@H]1C ZINC000816647948 586750644 /nfs/dbraw/zinc/75/06/44/586750644.db2.gz BBMGQDPETVPQTE-QWRGUYRKSA-N 0 3 229.323 3.581 20 0 BHADHN Cc1oc2ccccc2c1CN1C[C@H](C)[C@H]1C ZINC000816647949 586750615 /nfs/dbraw/zinc/75/06/15/586750615.db2.gz BBMGQDPETVPQTE-WDEREUQCSA-N 0 3 229.323 3.581 20 0 BHADHN CCSc1cccc(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000816648723 586748091 /nfs/dbraw/zinc/74/80/91/586748091.db2.gz OBDOMORNDYBEQI-NEPJUHHUSA-N 0 3 235.396 3.639 20 0 BHADHN CCSc1cccc(CN2C[C@H](C)[C@H]2C)c1 ZINC000816648724 586747718 /nfs/dbraw/zinc/74/77/18/586747718.db2.gz OBDOMORNDYBEQI-NWDGAFQWSA-N 0 3 235.396 3.639 20 0 BHADHN CCSc1cccc(CN2C[C@H](C)[C@@H]2C)c1 ZINC000816648725 586747914 /nfs/dbraw/zinc/74/79/14/586747914.db2.gz OBDOMORNDYBEQI-RYUDHWBXSA-N 0 3 235.396 3.639 20 0 BHADHN CCSc1cccc(CN2C[C@@H](C)[C@H]2C)c1 ZINC000816648726 586748025 /nfs/dbraw/zinc/74/80/25/586748025.db2.gz OBDOMORNDYBEQI-VXGBXAGGSA-N 0 3 235.396 3.639 20 0 BHADHN CC(C)(C)CCNCc1c(F)cc(F)cc1F ZINC000816650930 586752781 /nfs/dbraw/zinc/75/27/81/586752781.db2.gz JYTWXEXYSHIPIZ-UHFFFAOYSA-N 0 3 245.288 3.630 20 0 BHADHN C[C@@H](NCc1cccc(C2CC2)c1)c1ccc[nH]1 ZINC000817408498 586800916 /nfs/dbraw/zinc/80/09/16/586800916.db2.gz IYVBTWAHUJYNGA-GFCCVEGCSA-N 0 3 240.350 3.743 20 0 BHADHN C[C@H](NCc1cccc(C2CC2)c1)c1ccc[nH]1 ZINC000817408499 586801316 /nfs/dbraw/zinc/80/13/16/586801316.db2.gz IYVBTWAHUJYNGA-LBPRGKRZSA-N 0 3 240.350 3.743 20 0 BHADHN CC[C@@H](C)CNCc1cscc1Cl ZINC000817410093 586801016 /nfs/dbraw/zinc/80/10/16/586801016.db2.gz JGWOABDSAHDJQK-MRVPVSSYSA-N 0 3 217.765 3.537 20 0 BHADHN CC[C@H](C)CNCc1cscc1Cl ZINC000817410094 586801144 /nfs/dbraw/zinc/80/11/44/586801144.db2.gz JGWOABDSAHDJQK-QMMMGPOBSA-N 0 3 217.765 3.537 20 0 BHADHN CCCCCCN[C@H](C)c1ccncc1Cl ZINC000817563336 586811842 /nfs/dbraw/zinc/81/18/42/586811842.db2.gz XEMMNYUJOQPSTH-LLVKDONJSA-N 0 3 240.778 3.966 20 0 BHADHN CCCCCCN[C@@H](C)c1ccncc1Cl ZINC000817563337 586811675 /nfs/dbraw/zinc/81/16/75/586811675.db2.gz XEMMNYUJOQPSTH-NSHDSACASA-N 0 3 240.778 3.966 20 0 BHADHN C[C@@H](N[C@H](C)C1(C)CC1)c1ccncc1Cl ZINC000817579520 586812673 /nfs/dbraw/zinc/81/26/73/586812673.db2.gz BBDLNWYCSYJMNQ-NXEZZACHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@H](C)C1(C)CC1)c1ccncc1Cl ZINC000817579521 586812589 /nfs/dbraw/zinc/81/25/89/586812589.db2.gz BBDLNWYCSYJMNQ-UWVGGRQHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccncc1Cl)C1(C)CC1 ZINC000817579522 586812722 /nfs/dbraw/zinc/81/27/22/586812722.db2.gz BBDLNWYCSYJMNQ-VHSXEESVSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@H](C)C1(C)CC1)c1ccncc1Cl ZINC000817579523 586812909 /nfs/dbraw/zinc/81/29/09/586812909.db2.gz BBDLNWYCSYJMNQ-ZJUUUORDSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](NCCC1CCC1)c1ccncc1Cl ZINC000817579725 586812773 /nfs/dbraw/zinc/81/27/73/586812773.db2.gz DSRDQYSEEGMLRQ-JTQLQIEISA-N 0 3 238.762 3.576 20 0 BHADHN C[C@@H](NCCC1CCC1)c1ccncc1Cl ZINC000817579727 586812754 /nfs/dbraw/zinc/81/27/54/586812754.db2.gz DSRDQYSEEGMLRQ-SNVBAGLBSA-N 0 3 238.762 3.576 20 0 BHADHN Cc1ccccc1C[C@H](NC1CC1)c1ccco1 ZINC000820803333 587072681 /nfs/dbraw/zinc/07/26/81/587072681.db2.gz IWRSABHZIMNSSK-HNNXBMFYSA-N 0 3 241.334 3.624 20 0 BHADHN Cc1ccccc1C[C@@H](NC1CC1)c1ccco1 ZINC000820803334 587072854 /nfs/dbraw/zinc/07/28/54/587072854.db2.gz IWRSABHZIMNSSK-OAHLLOKOSA-N 0 3 241.334 3.624 20 0 BHADHN Fc1ccccc1C1(NC2CC3(CCC3)C2)CC1 ZINC000820836962 587076105 /nfs/dbraw/zinc/07/61/05/587076105.db2.gz UHNOSFZQPSGGQY-UHFFFAOYSA-N 0 3 245.341 3.737 20 0 BHADHN CCCCCCN1CCC=C(c2ccccn2)C1 ZINC000821332788 587108561 /nfs/dbraw/zinc/10/85/61/587108561.db2.gz VKYJCCGDYJEAEV-UHFFFAOYSA-N 0 3 244.382 3.751 20 0 BHADHN Cc1nsc(C)c1CN1CCCCCCC1 ZINC000821341825 587109235 /nfs/dbraw/zinc/10/92/35/587109235.db2.gz FXENXHDRQUXJJI-UHFFFAOYSA-N 0 3 238.400 3.526 20 0 BHADHN CC(C)n1cncc1CN1CCCCCCCC1 ZINC000822485994 587171505 /nfs/dbraw/zinc/17/15/05/587171505.db2.gz XCNNXUTUMJWWMU-UHFFFAOYSA-N 0 3 249.402 3.620 20 0 BHADHN CC1=C(C)CN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822996387 587197417 /nfs/dbraw/zinc/19/74/17/587197417.db2.gz LULNTANZMYGMNS-LLVKDONJSA-N 0 3 248.197 3.612 20 0 BHADHN CC1=C(C)CN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822996388 587197287 /nfs/dbraw/zinc/19/72/87/587197287.db2.gz LULNTANZMYGMNS-NSHDSACASA-N 0 3 248.197 3.612 20 0 BHADHN CCCCCCNCc1ccnc(Cl)c1F ZINC000823585472 587231999 /nfs/dbraw/zinc/23/19/99/587231999.db2.gz ZTXYQDAVAKGYED-UHFFFAOYSA-N 0 3 244.741 3.544 20 0 BHADHN CCCCCC[C@@H](C)NCc1ccncc1F ZINC000823609219 587232947 /nfs/dbraw/zinc/23/29/47/587232947.db2.gz QVOUSQNMJBMFES-GFCCVEGCSA-N 0 3 238.350 3.669 20 0 BHADHN CCCCCC[C@H](C)NCc1ccncc1F ZINC000823609220 587232642 /nfs/dbraw/zinc/23/26/42/587232642.db2.gz QVOUSQNMJBMFES-LBPRGKRZSA-N 0 3 238.350 3.669 20 0 BHADHN CCCC(C)(C)NCc1ccnc(Cl)c1F ZINC000823788618 587240709 /nfs/dbraw/zinc/24/07/09/587240709.db2.gz CVPQCHNTTIIEFQ-UHFFFAOYSA-N 0 3 244.741 3.542 20 0 BHADHN CCC[C@H](CC)NCc1ccnc(Cl)c1F ZINC000823818678 587241480 /nfs/dbraw/zinc/24/14/80/587241480.db2.gz OBJGICNZTFNNQZ-JTQLQIEISA-N 0 3 244.741 3.542 20 0 BHADHN CCC[C@@H](CC)NCc1ccnc(Cl)c1F ZINC000823818679 587241528 /nfs/dbraw/zinc/24/15/28/587241528.db2.gz OBJGICNZTFNNQZ-SNVBAGLBSA-N 0 3 244.741 3.542 20 0 BHADHN CC(C)c1cc(CN[C@H](C)CC(C)(C)C)on1 ZINC000823848656 587242900 /nfs/dbraw/zinc/24/29/00/587242900.db2.gz ZUTACUCBMQPIOB-LLVKDONJSA-N 0 3 238.375 3.712 20 0 BHADHN CC(C)c1cc(CN[C@@H](C)CC(C)(C)C)on1 ZINC000823848658 587243198 /nfs/dbraw/zinc/24/31/98/587243198.db2.gz ZUTACUCBMQPIOB-NSHDSACASA-N 0 3 238.375 3.712 20 0 BHADHN CCC(C)(CC)NCc1ccnc(Cl)c1F ZINC000823866969 587244623 /nfs/dbraw/zinc/24/46/23/587244623.db2.gz VQDMBIPAEUSFGE-UHFFFAOYSA-N 0 3 244.741 3.542 20 0 BHADHN CCCC[C@H](CC)CCN[C@H]1CCn2ccnc21 ZINC000824526635 587273655 /nfs/dbraw/zinc/27/36/55/587273655.db2.gz NYDXUVBZUGVTPI-KBPBESRZSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@@H](CC)CCN[C@H]1CCn2ccnc21 ZINC000824526637 587273869 /nfs/dbraw/zinc/27/38/69/587273869.db2.gz NYDXUVBZUGVTPI-KGLIPLIRSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@H](CC)CCN[C@@H]1CCn2ccnc21 ZINC000824526639 587273920 /nfs/dbraw/zinc/27/39/20/587273920.db2.gz NYDXUVBZUGVTPI-UONOGXRCSA-N 0 3 249.402 3.524 20 0 BHADHN CCCC[C@@H](CC)CCN[C@@H]1CCn2ccnc21 ZINC000824526640 587273731 /nfs/dbraw/zinc/27/37/31/587273731.db2.gz NYDXUVBZUGVTPI-ZIAGYGMSSA-N 0 3 249.402 3.524 20 0 BHADHN c1ccc(-c2ccccc2CN2CC3(CC3)C2)cc1 ZINC000824533864 587274673 /nfs/dbraw/zinc/27/46/73/587274673.db2.gz RCAGSFLMPPPWQR-UHFFFAOYSA-N 0 3 249.357 3.949 20 0 BHADHN Cc1csc(CNCc2cc(C)oc2C)c1 ZINC000824751548 587285856 /nfs/dbraw/zinc/28/58/56/587285856.db2.gz ZFZKMNDKQKUKPH-UHFFFAOYSA-N 0 3 235.352 3.556 20 0 BHADHN Cc1csc(CN2CCCCCCCC2)n1 ZINC000824982135 587296992 /nfs/dbraw/zinc/29/69/92/587296992.db2.gz AAIZWMMRXXGGRK-UHFFFAOYSA-N 0 3 238.400 3.608 20 0 BHADHN Cc1nc(CN2CCCCCCCC2)cs1 ZINC000824982449 587296955 /nfs/dbraw/zinc/29/69/55/587296955.db2.gz GHIABMDDJGSXMM-UHFFFAOYSA-N 0 3 238.400 3.608 20 0 BHADHN CC(C)n1nccc1CN1CCCCCCCC1 ZINC000824982558 587296913 /nfs/dbraw/zinc/29/69/13/587296913.db2.gz HNRKTIGVTNXADE-UHFFFAOYSA-N 0 3 249.402 3.620 20 0 BHADHN CC(C)n1cc(CN2CCCCCCCC2)cn1 ZINC000824983325 587297152 /nfs/dbraw/zinc/29/71/52/587297152.db2.gz ULZQGANDSJFRAM-UHFFFAOYSA-N 0 3 249.402 3.620 20 0 BHADHN Cc1cnc(CN2CCCCCCCC2)s1 ZINC000824983392 587297248 /nfs/dbraw/zinc/29/72/48/587297248.db2.gz VNIVTSUXHCCUFT-UHFFFAOYSA-N 0 3 238.400 3.608 20 0 BHADHN CCCCC[C@@H](C)N[C@H](C)c1nccn1CC ZINC000825005393 587297949 /nfs/dbraw/zinc/29/79/49/587297949.db2.gz JJAKZXDPVLIMOG-CHWSQXEVSA-N 0 3 237.391 3.522 20 0 BHADHN CCCCC[C@@H](C)N[C@@H](C)c1nccn1CC ZINC000825005394 587298160 /nfs/dbraw/zinc/29/81/60/587298160.db2.gz JJAKZXDPVLIMOG-OLZOCXBDSA-N 0 3 237.391 3.522 20 0 BHADHN CCCCC[C@H](C)N[C@H](C)c1nccn1CC ZINC000825005395 587297956 /nfs/dbraw/zinc/29/79/56/587297956.db2.gz JJAKZXDPVLIMOG-QWHCGFSZSA-N 0 3 237.391 3.522 20 0 BHADHN CCCCC[C@H](C)N[C@@H](C)c1nccn1CC ZINC000825005396 587297959 /nfs/dbraw/zinc/29/79/59/587297959.db2.gz JJAKZXDPVLIMOG-STQMWFEESA-N 0 3 237.391 3.522 20 0 BHADHN CCn1ccnc1[C@@H](C)NC1CCCCCCC1 ZINC000825006197 587298242 /nfs/dbraw/zinc/29/82/42/587298242.db2.gz ZQQRJKOJXDUGOP-CYBMUJFWSA-N 0 3 249.402 3.667 20 0 BHADHN CCn1ccnc1[C@H](C)NC1CCCCCCC1 ZINC000825006198 587298216 /nfs/dbraw/zinc/29/82/16/587298216.db2.gz ZQQRJKOJXDUGOP-ZDUSSCGKSA-N 0 3 249.402 3.667 20 0 BHADHN CCc1nc(CN[C@@H](CC)C[C@H](C)CC)co1 ZINC000825057796 587301235 /nfs/dbraw/zinc/30/12/35/587301235.db2.gz PTXZTEIYFHZQNO-NEPJUHHUSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1nc(CN[C@H](CC)C[C@@H](C)CC)co1 ZINC000825057797 587301108 /nfs/dbraw/zinc/30/11/08/587301108.db2.gz PTXZTEIYFHZQNO-NWDGAFQWSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1nc(CN[C@@H](CC)C[C@@H](C)CC)co1 ZINC000825057798 587301144 /nfs/dbraw/zinc/30/11/44/587301144.db2.gz PTXZTEIYFHZQNO-RYUDHWBXSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1nc(CN[C@H](CC)C[C@H](C)CC)co1 ZINC000825057799 587298532 /nfs/dbraw/zinc/29/85/32/587298532.db2.gz PTXZTEIYFHZQNO-VXGBXAGGSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1nc(CNCC(CC)(CC)CC)co1 ZINC000825058323 587301005 /nfs/dbraw/zinc/30/10/05/587301005.db2.gz VWWRYVAAYCJYQB-UHFFFAOYSA-N 0 3 238.375 3.543 20 0 BHADHN CCCC[C@@H](C)[C@H](C)NCc1coc(CC)n1 ZINC000825062225 587301408 /nfs/dbraw/zinc/30/14/08/587301408.db2.gz QLYKSNNAPMVRDD-NEPJUHHUSA-N 0 3 238.375 3.541 20 0 BHADHN CCCC[C@H](C)[C@@H](C)NCc1coc(CC)n1 ZINC000825062226 587302012 /nfs/dbraw/zinc/30/20/12/587302012.db2.gz QLYKSNNAPMVRDD-NWDGAFQWSA-N 0 3 238.375 3.541 20 0 BHADHN CCCC[C@H](C)[C@H](C)NCc1coc(CC)n1 ZINC000825062228 587301696 /nfs/dbraw/zinc/30/16/96/587301696.db2.gz QLYKSNNAPMVRDD-RYUDHWBXSA-N 0 3 238.375 3.541 20 0 BHADHN CCCC[C@@H](C)[C@@H](C)NCc1coc(CC)n1 ZINC000825062229 587302016 /nfs/dbraw/zinc/30/20/16/587302016.db2.gz QLYKSNNAPMVRDD-VXGBXAGGSA-N 0 3 238.375 3.541 20 0 BHADHN CCCCCC[C@@H](C)NCc1cnc(CC)o1 ZINC000825078789 587302846 /nfs/dbraw/zinc/30/28/46/587302846.db2.gz DPMJHPFMZYBDGJ-GFCCVEGCSA-N 0 3 238.375 3.686 20 0 BHADHN CCCCCC[C@H](C)NCc1cnc(CC)o1 ZINC000825078790 587302777 /nfs/dbraw/zinc/30/27/77/587302777.db2.gz DPMJHPFMZYBDGJ-LBPRGKRZSA-N 0 3 238.375 3.686 20 0 BHADHN CCCCC[C@@H](C)NCc1cnc(CCC)o1 ZINC000825086568 587303112 /nfs/dbraw/zinc/30/31/12/587303112.db2.gz UALSGYOIUCZDMN-GFCCVEGCSA-N 0 3 238.375 3.686 20 0 BHADHN CCCCC[C@H](C)NCc1cnc(CCC)o1 ZINC000825086570 587303200 /nfs/dbraw/zinc/30/32/00/587303200.db2.gz UALSGYOIUCZDMN-LBPRGKRZSA-N 0 3 238.375 3.686 20 0 BHADHN c1nc(C2CC2)oc1CNC1CCCCCCC1 ZINC000825171986 587307744 /nfs/dbraw/zinc/30/77/44/587307744.db2.gz CXJGJKNNEZGRCO-UHFFFAOYSA-N 0 3 248.370 3.755 20 0 BHADHN CCCCC[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000825175886 587308012 /nfs/dbraw/zinc/30/80/12/587308012.db2.gz PITUAGSOSXFNMH-LLVKDONJSA-N 0 3 236.359 3.610 20 0 BHADHN CCCCC[C@H](C)NCc1cnc(C2CC2)o1 ZINC000825175887 587307817 /nfs/dbraw/zinc/30/78/17/587307817.db2.gz PITUAGSOSXFNMH-NSHDSACASA-N 0 3 236.359 3.610 20 0 BHADHN CC(=O)c1cccc(CN2CCCCCCC2)c1 ZINC000827294714 587375801 /nfs/dbraw/zinc/37/58/01/587375801.db2.gz NPCMDBXCSKHOPK-UHFFFAOYSA-N 0 3 245.366 3.655 20 0 BHADHN Cc1noc(C)c1CN(C)CCC1=CCCCC1 ZINC000827400340 587380030 /nfs/dbraw/zinc/38/00/30/587380030.db2.gz HLLMLKCPVBNGST-UHFFFAOYSA-N 0 3 248.370 3.614 20 0 BHADHN CC(C)CC(=O)CCN(C)[C@@H](C)c1ccccc1 ZINC000827713478 587398385 /nfs/dbraw/zinc/39/83/85/587398385.db2.gz ZIABYVKAVPIXTB-AWEZNQCLSA-N 0 3 247.382 3.685 20 0 BHADHN CC(C)CC(=O)CCN(C)[C@H](C)c1ccccc1 ZINC000827713479 587398583 /nfs/dbraw/zinc/39/85/83/587398583.db2.gz ZIABYVKAVPIXTB-CQSZACIVSA-N 0 3 247.382 3.685 20 0 BHADHN CC(C)[C@H](NCC1=CCCCC1)c1ccccn1 ZINC000828693976 587457530 /nfs/dbraw/zinc/45/75/30/587457530.db2.gz YJLYCLRIBZTGMP-INIZCTEOSA-N 0 3 244.382 3.869 20 0 BHADHN CC(C)[C@@H](NCC1=CCCCC1)c1ccccn1 ZINC000828693978 587457543 /nfs/dbraw/zinc/45/75/43/587457543.db2.gz YJLYCLRIBZTGMP-MRXNPFEDSA-N 0 3 244.382 3.869 20 0 BHADHN CC(C)C(NCc1csc(Cl)n1)C(C)C ZINC000828721558 587458658 /nfs/dbraw/zinc/45/86/58/587458658.db2.gz CWEUPPWSKMGQMG-UHFFFAOYSA-N 0 3 246.807 3.567 20 0 BHADHN C[C@@H](NC[C@@]1(C)CC1(Cl)Cl)c1ccco1 ZINC000828812068 587463434 /nfs/dbraw/zinc/46/34/34/587463434.db2.gz PTTNJXMURAPBLN-PSASIEDQSA-N 0 3 248.153 3.514 20 0 BHADHN C[C@@H](NC[C@]1(C)CC1(Cl)Cl)c1ccco1 ZINC000828812070 587462409 /nfs/dbraw/zinc/46/24/09/587462409.db2.gz PTTNJXMURAPBLN-SCZZXKLOSA-N 0 3 248.153 3.514 20 0 BHADHN C[C@H](NC[C@@]1(C)CC1(Cl)Cl)c1ccco1 ZINC000828812094 587462363 /nfs/dbraw/zinc/46/23/63/587462363.db2.gz PTTNJXMURAPBLN-WCBMZHEXSA-N 0 3 248.153 3.514 20 0 BHADHN C[C@H](NC[C@]1(C)CC1(Cl)Cl)c1ccco1 ZINC000828812095 587462457 /nfs/dbraw/zinc/46/24/57/587462457.db2.gz PTTNJXMURAPBLN-WPRPVWTQSA-N 0 3 248.153 3.514 20 0 BHADHN C[C@@H](NC[C@@]1(C)CC1(Cl)Cl)c1ccoc1 ZINC000828846859 587466680 /nfs/dbraw/zinc/46/66/80/587466680.db2.gz WMBUCPVUTQBFER-PSASIEDQSA-N 0 3 248.153 3.514 20 0 BHADHN C[C@@H](NC[C@]1(C)CC1(Cl)Cl)c1ccoc1 ZINC000828846860 587466376 /nfs/dbraw/zinc/46/63/76/587466376.db2.gz WMBUCPVUTQBFER-SCZZXKLOSA-N 0 3 248.153 3.514 20 0 BHADHN C[C@H](NC[C@@]1(C)CC1(Cl)Cl)c1ccoc1 ZINC000828846861 587466621 /nfs/dbraw/zinc/46/66/21/587466621.db2.gz WMBUCPVUTQBFER-WCBMZHEXSA-N 0 3 248.153 3.514 20 0 BHADHN C[C@H](NC[C@]1(C)CC1(Cl)Cl)c1ccoc1 ZINC000828846862 587466596 /nfs/dbraw/zinc/46/65/96/587466596.db2.gz WMBUCPVUTQBFER-WPRPVWTQSA-N 0 3 248.153 3.514 20 0 BHADHN CC(C)c1cnc(CN2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000829029682 587480392 /nfs/dbraw/zinc/48/03/92/587480392.db2.gz YGIKYCLJNZDMCV-STQMWFEESA-N 0 3 248.370 3.563 20 0 BHADHN CC[C@@H](N[C@@H]1C=CCC1)c1ccccc1F ZINC000829347550 582856589 /nfs/dbraw/zinc/85/65/89/582856589.db2.gz LCLGOFNQAZYERA-BXUZGUMPSA-N 0 3 219.303 3.585 20 0 BHADHN CC[C@H](N[C@H]1C=CCC1)c1ccccc1F ZINC000829347553 582856418 /nfs/dbraw/zinc/85/64/18/582856418.db2.gz LCLGOFNQAZYERA-FZMZJTMJSA-N 0 3 219.303 3.585 20 0 BHADHN CC[C@H](N[C@@H]1C=CCC1)c1ccccc1F ZINC000829347556 582856399 /nfs/dbraw/zinc/85/63/99/582856399.db2.gz LCLGOFNQAZYERA-RISCZKNCSA-N 0 3 219.303 3.585 20 0 BHADHN CC[C@@H](N[C@H]1C=CCC1)c1ccccc1F ZINC000829347559 582856567 /nfs/dbraw/zinc/85/65/67/582856567.db2.gz LCLGOFNQAZYERA-SMDDNHRTSA-N 0 3 219.303 3.585 20 0 BHADHN CC[C@H](N[C@H]1C=CCC1)c1cccc(F)c1 ZINC000829348593 582856238 /nfs/dbraw/zinc/85/62/38/582856238.db2.gz VEJGMENSOLZDNH-KBPBESRZSA-N 0 3 219.303 3.585 20 0 BHADHN CC[C@H](N[C@@H]1C=CCC1)c1cccc(F)c1 ZINC000829348595 582856459 /nfs/dbraw/zinc/85/64/59/582856459.db2.gz VEJGMENSOLZDNH-KGLIPLIRSA-N 0 3 219.303 3.585 20 0 BHADHN CC[C@@H](N[C@H]1C=CCC1)c1cccc(F)c1 ZINC000829348598 582856430 /nfs/dbraw/zinc/85/64/30/582856430.db2.gz VEJGMENSOLZDNH-UONOGXRCSA-N 0 3 219.303 3.585 20 0 BHADHN CC[C@@H](N[C@@H]1C=CCC1)c1cccc(F)c1 ZINC000829348608 582856929 /nfs/dbraw/zinc/85/69/29/582856929.db2.gz VEJGMENSOLZDNH-ZIAGYGMSSA-N 0 3 219.303 3.585 20 0 BHADHN CC1=C(C)CN(C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000829390486 587495279 /nfs/dbraw/zinc/49/52/79/587495279.db2.gz LIKZCICWHCVDBK-LLVKDONJSA-N 0 3 248.197 3.612 20 0 BHADHN CC1=C(C)CN(C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000829390487 587495292 /nfs/dbraw/zinc/49/52/92/587495292.db2.gz LIKZCICWHCVDBK-NSHDSACASA-N 0 3 248.197 3.612 20 0 BHADHN Fc1cccc(C2(NC/C=C\Cl)CCC2)c1 ZINC000829714839 587511164 /nfs/dbraw/zinc/51/11/64/587511164.db2.gz DIOFJMVAXFKRCT-BAQGIRSFSA-N 0 3 239.721 3.547 20 0 BHADHN Fc1cccc(C2(NC/C=C/Cl)CCC2)c1 ZINC000829714840 587511403 /nfs/dbraw/zinc/51/14/03/587511403.db2.gz DIOFJMVAXFKRCT-FPYGCLRLSA-N 0 3 239.721 3.547 20 0 BHADHN CN(CCC(C)(C)C)C[C@H]1CC1(Cl)Cl ZINC000829922727 587528118 /nfs/dbraw/zinc/52/81/18/587528118.db2.gz UAFBHKPGORWVGO-SECBINFHSA-N 0 3 238.202 3.548 20 0 BHADHN CN(CCC(C)(C)C)C[C@@H]1CC1(Cl)Cl ZINC000829922729 587528146 /nfs/dbraw/zinc/52/81/46/587528146.db2.gz UAFBHKPGORWVGO-VIFPVBQESA-N 0 3 238.202 3.548 20 0 BHADHN C[C@H](NC/C=C/Cl)c1cccc(C2CC2)c1 ZINC000830185201 587540614 /nfs/dbraw/zinc/54/06/14/587540614.db2.gz WRKRXULGWFGMHQ-AEBAWRHJSA-N 0 3 235.758 3.967 20 0 BHADHN C[C@H](NC/C=C\Cl)c1cccc(C2CC2)c1 ZINC000830185202 587540551 /nfs/dbraw/zinc/54/05/51/587540551.db2.gz WRKRXULGWFGMHQ-DZHRUPLWSA-N 0 3 235.758 3.967 20 0 BHADHN C[C@@H](NC/C=C/Cl)c1cccc(C2CC2)c1 ZINC000830185203 587540538 /nfs/dbraw/zinc/54/05/38/587540538.db2.gz WRKRXULGWFGMHQ-TXGYYHNKSA-N 0 3 235.758 3.967 20 0 BHADHN C[C@@H](NC/C=C\Cl)c1cccc(C2CC2)c1 ZINC000830185204 587540738 /nfs/dbraw/zinc/54/07/38/587540738.db2.gz WRKRXULGWFGMHQ-UVYAAXSVSA-N 0 3 235.758 3.967 20 0 BHADHN CN(Cc1cc(Cl)nc(Cl)c1)C(C)(C)C ZINC000830546247 587557212 /nfs/dbraw/zinc/55/72/12/587557212.db2.gz UVXSNUNSFSFVII-UHFFFAOYSA-N 0 3 247.169 3.619 20 0 BHADHN CCC1(NCc2ncc(C(C)C)o2)CCCC1 ZINC000830781883 587569761 /nfs/dbraw/zinc/56/97/61/587569761.db2.gz BHHHLTYIOUGYMI-UHFFFAOYSA-N 0 3 236.359 3.610 20 0 BHADHN CC(C)n1ccc(CN2CCCCCCCC2)n1 ZINC000831932544 587636746 /nfs/dbraw/zinc/63/67/46/587636746.db2.gz FBXQCTQZYXNOGW-UHFFFAOYSA-N 0 3 249.402 3.620 20 0 BHADHN CC(C)n1ccnc1CN1CCCCCCCC1 ZINC000831933223 587637334 /nfs/dbraw/zinc/63/73/34/587637334.db2.gz ZGXVVXLQHLCICK-UHFFFAOYSA-N 0 3 249.402 3.620 20 0 BHADHN Cc1cnc([C@@H](C)N2CCCCCCCC2)o1 ZINC000831937547 587637365 /nfs/dbraw/zinc/63/73/65/587637365.db2.gz USEXAAYFKSBHJJ-CYBMUJFWSA-N 0 3 236.359 3.700 20 0 BHADHN Cc1cnc([C@H](C)N2CCCCCCCC2)o1 ZINC000831937549 587637225 /nfs/dbraw/zinc/63/72/25/587637225.db2.gz USEXAAYFKSBHJJ-ZDUSSCGKSA-N 0 3 236.359 3.700 20 0 BHADHN Cc1cnc([C@H](C)N2CCCCCCCC2)cn1 ZINC000831937783 587637314 /nfs/dbraw/zinc/63/73/14/587637314.db2.gz WSALSIPEQYGZQC-AWEZNQCLSA-N 0 3 247.386 3.502 20 0 BHADHN Cc1cnc([C@@H](C)N2CCCCCCCC2)cn1 ZINC000831937784 587637428 /nfs/dbraw/zinc/63/74/28/587637428.db2.gz WSALSIPEQYGZQC-CQSZACIVSA-N 0 3 247.386 3.502 20 0 BHADHN CC(C)N(C/C=C/Cl)C1CC(C)(C)C1 ZINC000832761925 587685654 /nfs/dbraw/zinc/68/56/54/587685654.db2.gz XRLZCOWBIRQNGQ-AATRIKPKSA-N 0 3 215.768 3.638 20 0 BHADHN CC(C)N(C/C=C\Cl)C1CC(C)(C)C1 ZINC000832761926 587685508 /nfs/dbraw/zinc/68/55/08/587685508.db2.gz XRLZCOWBIRQNGQ-WAYWQWQTSA-N 0 3 215.768 3.638 20 0 BHADHN CCC[C@@H](NCc1cccc(F)n1)C(C)(C)C ZINC000834689544 587764280 /nfs/dbraw/zinc/76/42/80/587764280.db2.gz OQTDHJUUGBNEQG-GFCCVEGCSA-N 0 3 238.350 3.525 20 0 BHADHN CCC[C@H](NCc1cccc(F)n1)C(C)(C)C ZINC000834689545 587764262 /nfs/dbraw/zinc/76/42/62/587764262.db2.gz OQTDHJUUGBNEQG-LBPRGKRZSA-N 0 3 238.350 3.525 20 0 BHADHN Cc1cc([C@@H](C)N[C@H](C)c2ccc[nH]2)cs1 ZINC000834694125 587764419 /nfs/dbraw/zinc/76/44/19/587764419.db2.gz SUUADJZXCOOQJH-GHMZBOCLSA-N 0 3 234.368 3.796 20 0 BHADHN Cc1cc([C@@H](C)N[C@@H](C)c2ccc[nH]2)cs1 ZINC000834694131 587764519 /nfs/dbraw/zinc/76/45/19/587764519.db2.gz SUUADJZXCOOQJH-MNOVXSKESA-N 0 3 234.368 3.796 20 0 BHADHN Cc1cc([C@H](C)N[C@@H](C)c2ccc[nH]2)cs1 ZINC000834694132 587764505 /nfs/dbraw/zinc/76/45/05/587764505.db2.gz SUUADJZXCOOQJH-QWRGUYRKSA-N 0 3 234.368 3.796 20 0 BHADHN Cc1cc([C@H](C)N[C@H](C)c2ccc[nH]2)cs1 ZINC000834694134 587764474 /nfs/dbraw/zinc/76/44/74/587764474.db2.gz SUUADJZXCOOQJH-WDEREUQCSA-N 0 3 234.368 3.796 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccsc1 ZINC000834694920 587764388 /nfs/dbraw/zinc/76/43/88/587764388.db2.gz ZPXPRRITPKAUDP-CMPLNLGQSA-N 0 3 234.368 3.878 20 0 BHADHN CC[C@H](N[C@@H](C)c1ccc[nH]1)c1ccsc1 ZINC000834694921 587764431 /nfs/dbraw/zinc/76/44/31/587764431.db2.gz ZPXPRRITPKAUDP-JQWIXIFHSA-N 0 3 234.368 3.878 20 0 BHADHN CC[C@H](N[C@H](C)c1ccc[nH]1)c1ccsc1 ZINC000834694923 587764592 /nfs/dbraw/zinc/76/45/92/587764592.db2.gz ZPXPRRITPKAUDP-PWSUYJOCSA-N 0 3 234.368 3.878 20 0 BHADHN CC[C@@H](N[C@H](C)c1ccc[nH]1)c1ccsc1 ZINC000834694924 587764487 /nfs/dbraw/zinc/76/44/87/587764487.db2.gz ZPXPRRITPKAUDP-ZYHUDNBSSA-N 0 3 234.368 3.878 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1cccc(Cl)n1 ZINC000834807365 587767071 /nfs/dbraw/zinc/76/70/71/587767071.db2.gz OLNVOGUEGUHEAO-JTQLQIEISA-N 0 3 240.778 3.649 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1cccc(Cl)n1 ZINC000834807372 587767287 /nfs/dbraw/zinc/76/72/87/587767287.db2.gz OLNVOGUEGUHEAO-SNVBAGLBSA-N 0 3 240.778 3.649 20 0 BHADHN Cc1cc(F)ccc1[C@H](C)NCCC(C)(F)F ZINC000834819396 587767555 /nfs/dbraw/zinc/76/75/55/587767555.db2.gz VNOUWWJENUUFGH-JTQLQIEISA-N 0 3 245.288 3.830 20 0 BHADHN Cc1cc(F)ccc1[C@@H](C)NCCC(C)(F)F ZINC000834819401 587767479 /nfs/dbraw/zinc/76/74/79/587767479.db2.gz VNOUWWJENUUFGH-SNVBAGLBSA-N 0 3 245.288 3.830 20 0 BHADHN CCc1noc(C)c1[C@@H](C)NCC1=CCCCC1 ZINC000834837025 587768607 /nfs/dbraw/zinc/76/86/07/587768607.db2.gz REZMLQMLHISVTB-LLVKDONJSA-N 0 3 248.370 3.696 20 0 BHADHN CCc1noc(C)c1[C@H](C)NCC1=CCCCC1 ZINC000834837026 587768624 /nfs/dbraw/zinc/76/86/24/587768624.db2.gz REZMLQMLHISVTB-NSHDSACASA-N 0 3 248.370 3.696 20 0 BHADHN CCC[C@H](C)[C@H](CC)NCc1coc(CC)n1 ZINC000834901264 587769830 /nfs/dbraw/zinc/76/98/30/587769830.db2.gz RMIBXYRJGQRPDI-AAEUAGOBSA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@@H](C)[C@@H](CC)NCc1coc(CC)n1 ZINC000834901265 587769902 /nfs/dbraw/zinc/76/99/02/587769902.db2.gz RMIBXYRJGQRPDI-DGCLKSJQSA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@H](C)[C@@H](CC)NCc1coc(CC)n1 ZINC000834901266 587769912 /nfs/dbraw/zinc/76/99/12/587769912.db2.gz RMIBXYRJGQRPDI-WCQYABFASA-N 0 3 238.375 3.541 20 0 BHADHN CCC[C@@H](C)[C@H](CC)NCc1coc(CC)n1 ZINC000834901267 587770035 /nfs/dbraw/zinc/77/00/35/587770035.db2.gz RMIBXYRJGQRPDI-YPMHNXCESA-N 0 3 238.375 3.541 20 0 BHADHN C[C@@H](CC(C)(C)C)NCc1cccnc1Cl ZINC000835064168 587779820 /nfs/dbraw/zinc/77/98/20/587779820.db2.gz FBKWRZWQWPTONT-JTQLQIEISA-N 0 3 240.778 3.649 20 0 BHADHN C[C@H](CC(C)(C)C)NCc1cccnc1Cl ZINC000835064171 587779860 /nfs/dbraw/zinc/77/98/60/587779860.db2.gz FBKWRZWQWPTONT-SNVBAGLBSA-N 0 3 240.778 3.649 20 0 BHADHN C[C@@H]1CCCC[C@]1(C)NCc1coc(C2CC2)n1 ZINC000835073967 587780175 /nfs/dbraw/zinc/78/01/75/587780175.db2.gz PPFSXZSLJJGCCE-ABAIWWIYSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@@H]1CCCC[C@@]1(C)NCc1coc(C2CC2)n1 ZINC000835073968 587780212 /nfs/dbraw/zinc/78/02/12/587780212.db2.gz PPFSXZSLJJGCCE-IAQYHMDHSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H]1CCCC[C@]1(C)NCc1coc(C2CC2)n1 ZINC000835073969 587780220 /nfs/dbraw/zinc/78/02/20/587780220.db2.gz PPFSXZSLJJGCCE-NHYWBVRUSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@H]1CCCC[C@@]1(C)NCc1coc(C2CC2)n1 ZINC000835073970 587780100 /nfs/dbraw/zinc/78/01/00/587780100.db2.gz PPFSXZSLJJGCCE-XHDPSFHLSA-N 0 3 248.370 3.610 20 0 BHADHN Cc1ccc(CN[C@@H](C)C(C)(C)C)c(Cl)n1 ZINC000838895367 585079252 /nfs/dbraw/zinc/07/92/52/585079252.db2.gz QPNUGNFJEDZGRV-JTQLQIEISA-N 0 3 240.778 3.568 20 0 BHADHN Cc1ccc(CN[C@H](C)C(C)(C)C)c(Cl)n1 ZINC000838895528 585079410 /nfs/dbraw/zinc/07/94/10/585079410.db2.gz QPNUGNFJEDZGRV-SNVBAGLBSA-N 0 3 240.778 3.568 20 0 BHADHN CCCCC[C@@H](C)NCc1ccc2c(n1)CCC2 ZINC000838896132 585079236 /nfs/dbraw/zinc/07/92/36/585079236.db2.gz WUUHWJBOEOKUPN-CYBMUJFWSA-N 0 3 246.398 3.629 20 0 BHADHN CCCCC[C@H](C)NCc1ccc2c(n1)CCC2 ZINC000838896133 585079394 /nfs/dbraw/zinc/07/93/94/585079394.db2.gz WUUHWJBOEOKUPN-ZDUSSCGKSA-N 0 3 246.398 3.629 20 0 BHADHN CC[C@H](C)[C@@H](C)NCc1ccc(C)nc1Cl ZINC000838919353 585078309 /nfs/dbraw/zinc/07/83/09/585078309.db2.gz CRKRICBCWYXHEK-GXSJLCMTSA-N 0 3 240.778 3.568 20 0 BHADHN CC[C@@H](C)[C@H](C)NCc1ccc(C)nc1Cl ZINC000838919354 585078358 /nfs/dbraw/zinc/07/83/58/585078358.db2.gz CRKRICBCWYXHEK-KOLCDFICSA-N 0 3 240.778 3.568 20 0 BHADHN CC[C@@H](C)[C@@H](C)NCc1ccc(C)nc1Cl ZINC000838919355 585078381 /nfs/dbraw/zinc/07/83/81/585078381.db2.gz CRKRICBCWYXHEK-MWLCHTKSSA-N 0 3 240.778 3.568 20 0 BHADHN CC[C@H](C)[C@H](C)NCc1ccc(C)nc1Cl ZINC000838919356 585078126 /nfs/dbraw/zinc/07/81/26/585078126.db2.gz CRKRICBCWYXHEK-ONGXEEELSA-N 0 3 240.778 3.568 20 0 BHADHN Cc1cccc(F)c1CNC1CC2(CCC2)C1 ZINC000838969349 585082845 /nfs/dbraw/zinc/08/28/45/585082845.db2.gz WMUHKLFIJPHACK-UHFFFAOYSA-N 0 3 233.330 3.556 20 0 BHADHN C[C@@H](NCc1ccc(C2CC2)cc1)c1ccc[nH]1 ZINC000838984833 585084523 /nfs/dbraw/zinc/08/45/23/585084523.db2.gz XBVFQTXQUUZVHP-GFCCVEGCSA-N 0 3 240.350 3.743 20 0 BHADHN C[C@H](NCc1ccc(C2CC2)cc1)c1ccc[nH]1 ZINC000838984834 585084503 /nfs/dbraw/zinc/08/45/03/585084503.db2.gz XBVFQTXQUUZVHP-LBPRGKRZSA-N 0 3 240.350 3.743 20 0 BHADHN CCC[C@H](NCc1coc(C2CC2)n1)C1CCC1 ZINC000839191303 585097609 /nfs/dbraw/zinc/09/76/09/585097609.db2.gz HDLGXLRXDWBTEK-AWEZNQCLSA-N 0 3 248.370 3.610 20 0 BHADHN CCC[C@@H](NCc1coc(C2CC2)n1)C1CCC1 ZINC000839191305 585097558 /nfs/dbraw/zinc/09/75/58/585097558.db2.gz HDLGXLRXDWBTEK-CQSZACIVSA-N 0 3 248.370 3.610 20 0 BHADHN Cl/C=C\CN1CCC[C@H]1c1ccccc1 ZINC000839272237 585100858 /nfs/dbraw/zinc/10/08/58/585100858.db2.gz GUCAKZNATBWXFW-QGOGUYACSA-N 0 3 221.731 3.576 20 0 BHADHN Cl/C=C\CN1CCC[C@@H]1c1ccccc1 ZINC000839272241 585100903 /nfs/dbraw/zinc/10/09/03/585100903.db2.gz GUCAKZNATBWXFW-WYOARUQKSA-N 0 3 221.731 3.576 20 0 BHADHN CN(CCF)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000839651556 585333471 /nfs/dbraw/zinc/33/34/71/585333471.db2.gz UTNMFNHIESDTFO-CABCVRRESA-N 0 3 235.346 3.614 20 0 BHADHN CN(CCF)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000839651557 585333401 /nfs/dbraw/zinc/33/34/01/585333401.db2.gz UTNMFNHIESDTFO-GJZGRUSLSA-N 0 3 235.346 3.614 20 0 BHADHN CN(CCF)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000839651558 585333308 /nfs/dbraw/zinc/33/33/08/585333308.db2.gz UTNMFNHIESDTFO-HUUCEWRRSA-N 0 3 235.346 3.614 20 0 BHADHN CN(CCF)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000839651559 585333393 /nfs/dbraw/zinc/33/33/93/585333393.db2.gz UTNMFNHIESDTFO-LSDHHAIUSA-N 0 3 235.346 3.614 20 0 BHADHN C[C@H]1CC[C@@H]1NC1(c2ccccc2Cl)CC1 ZINC000842886028 588070889 /nfs/dbraw/zinc/07/08/89/588070889.db2.gz GMLUBVBAUPEPFF-GWCFXTLKSA-N 0 3 235.758 3.717 20 0 BHADHN C[C@H]1CC[C@H]1NC1(c2ccccc2Cl)CC1 ZINC000842886032 588071174 /nfs/dbraw/zinc/07/11/74/588071174.db2.gz GMLUBVBAUPEPFF-GXFFZTMASA-N 0 3 235.758 3.717 20 0 BHADHN C[C@@H]1CC[C@@H]1NC1(c2ccccc2Cl)CC1 ZINC000842886033 588071124 /nfs/dbraw/zinc/07/11/24/588071124.db2.gz GMLUBVBAUPEPFF-MFKMUULPSA-N 0 3 235.758 3.717 20 0 BHADHN C[C@@H]1CC[C@H]1NC1(c2ccccc2Cl)CC1 ZINC000842886034 588070869 /nfs/dbraw/zinc/07/08/69/588070869.db2.gz GMLUBVBAUPEPFF-ZWNOBZJWSA-N 0 3 235.758 3.717 20 0 BHADHN C[C@@H]1CC[C@H]1NC1(c2ccccc2F)CCC1 ZINC000842905179 585078412 /nfs/dbraw/zinc/07/84/12/585078412.db2.gz IAVOTHQRSXELDC-BXUZGUMPSA-N 0 3 233.330 3.593 20 0 BHADHN C[C@H]1CC[C@@H]1NC1(c2ccccc2F)CCC1 ZINC000842905180 585078511 /nfs/dbraw/zinc/07/85/11/585078511.db2.gz IAVOTHQRSXELDC-FZMZJTMJSA-N 0 3 233.330 3.593 20 0 BHADHN C[C@@H]1CC[C@@H]1NC1(c2ccccc2F)CCC1 ZINC000842905181 585078585 /nfs/dbraw/zinc/07/85/85/585078585.db2.gz IAVOTHQRSXELDC-RISCZKNCSA-N 0 3 233.330 3.593 20 0 BHADHN C[C@H]1CC[C@H]1NC1(c2ccccc2F)CCC1 ZINC000842905182 585078627 /nfs/dbraw/zinc/07/86/27/585078627.db2.gz IAVOTHQRSXELDC-SMDDNHRTSA-N 0 3 233.330 3.593 20 0 BHADHN CCN(CCSC)Cc1cc(Cl)cs1 ZINC000843437341 588110136 /nfs/dbraw/zinc/11/01/36/588110136.db2.gz CNAMMXBZVKDNMD-UHFFFAOYSA-N 0 3 249.832 3.586 20 0 BHADHN ClC1(Cl)C[C@@H]1CCN1CCC12CCCC2 ZINC000844355700 588187272 /nfs/dbraw/zinc/18/72/72/588187272.db2.gz BOKKXBZBSMMKAR-JTQLQIEISA-N 0 3 248.197 3.589 20 0 BHADHN ClC1(Cl)C[C@H]1CCN1CCC12CCCC2 ZINC000844355725 588187409 /nfs/dbraw/zinc/18/74/09/588187409.db2.gz BOKKXBZBSMMKAR-SNVBAGLBSA-N 0 3 248.197 3.589 20 0 BHADHN FC1(F)[C@H]2CN(CCCC3CCCCC3)C[C@H]21 ZINC000846112127 582650751 /nfs/dbraw/zinc/65/07/51/582650751.db2.gz PQTFPPJMKCCRAT-BETUJISGSA-N 0 3 243.341 3.544 20 0 BHADHN C[C@H](NCC[C@@]1(C)C[C@@]1(F)Cl)c1ccco1 ZINC000846188336 588259512 /nfs/dbraw/zinc/25/95/12/588259512.db2.gz IQOVAUCAXWGWFD-DLOVCJGASA-N 0 3 245.725 3.635 20 0 BHADHN C[C@H](NCC[C@]1(C)C[C@]1(F)Cl)c1ccco1 ZINC000846188338 588259431 /nfs/dbraw/zinc/25/94/31/588259431.db2.gz IQOVAUCAXWGWFD-MVWJERBFSA-N 0 3 245.725 3.635 20 0 BHADHN C[C@H](NCC[C@]1(C)C[C@@]1(F)Cl)c1ccco1 ZINC000846188339 588259400 /nfs/dbraw/zinc/25/94/00/588259400.db2.gz IQOVAUCAXWGWFD-WCQGTBRESA-N 0 3 245.725 3.635 20 0 BHADHN C[C@H](NCC[C@@]1(C)C[C@]1(F)Cl)c1ccco1 ZINC000846188341 588259547 /nfs/dbraw/zinc/25/95/47/588259547.db2.gz IQOVAUCAXWGWFD-ZMLRMANQSA-N 0 3 245.725 3.635 20 0 BHADHN CCc1noc(C)c1[C@H](C)NC1CC2(CCC2)C1 ZINC000846210694 588260214 /nfs/dbraw/zinc/26/02/14/588260214.db2.gz BPIRMJOPKGKPAV-JTQLQIEISA-N 0 3 248.370 3.529 20 0 BHADHN CCc1noc(C)c1[C@@H](C)NC1CC2(CCC2)C1 ZINC000846210695 588260196 /nfs/dbraw/zinc/26/01/96/588260196.db2.gz BPIRMJOPKGKPAV-SNVBAGLBSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1ccsc1-c1ccc(CN(C)C)cc1 ZINC000846780197 588288057 /nfs/dbraw/zinc/28/80/57/588288057.db2.gz RDBMQJHQZCMCIF-UHFFFAOYSA-N 0 3 231.364 3.785 20 0 BHADHN CN(C)Cc1ccc(-c2cccc(CF)c2)cc1 ZINC000846780206 588288043 /nfs/dbraw/zinc/28/80/43/588288043.db2.gz RHJUZLBLVMLBDJ-UHFFFAOYSA-N 0 3 243.325 3.885 20 0 BHADHN CCCCCC[C@H](C)N[C@H]1CCCn2ccnc21 ZINC000848513031 588388264 /nfs/dbraw/zinc/38/82/64/588388264.db2.gz CMPHBTZXXNZRAJ-KBPBESRZSA-N 0 3 249.402 3.667 20 0 BHADHN CCCCCC[C@@H](C)N[C@H]1CCCn2ccnc21 ZINC000848513037 588388358 /nfs/dbraw/zinc/38/83/58/588388358.db2.gz CMPHBTZXXNZRAJ-KGLIPLIRSA-N 0 3 249.402 3.667 20 0 BHADHN CCCCCC[C@H](C)N[C@@H]1CCCn2ccnc21 ZINC000848513038 588387545 /nfs/dbraw/zinc/38/75/45/588387545.db2.gz CMPHBTZXXNZRAJ-UONOGXRCSA-N 0 3 249.402 3.667 20 0 BHADHN CCCCCC[C@@H](C)N[C@@H]1CCCn2ccnc21 ZINC000848513040 588387624 /nfs/dbraw/zinc/38/76/24/588387624.db2.gz CMPHBTZXXNZRAJ-ZIAGYGMSSA-N 0 3 249.402 3.667 20 0 BHADHN CC(C)c1ccccc1CNCCC(F)(F)F ZINC000848541816 588395057 /nfs/dbraw/zinc/39/50/57/588395057.db2.gz XBVWXWTZUGVNGF-UHFFFAOYSA-N 0 3 245.288 3.852 20 0 BHADHN CC(C)c1ccccc1CNC1CC(F)(F)C1 ZINC000848549519 588396094 /nfs/dbraw/zinc/39/60/94/588396094.db2.gz WHFKSHAFPQCSKY-UHFFFAOYSA-N 0 3 239.309 3.697 20 0 BHADHN CCCCC[C@@H](C)NCc1noc2ccccc12 ZINC000848573810 588398893 /nfs/dbraw/zinc/39/88/93/588398893.db2.gz ZRTNZJPTCRVDJN-GFCCVEGCSA-N 0 3 246.354 3.886 20 0 BHADHN CCCCC[C@H](C)NCc1noc2ccccc12 ZINC000848573811 588399054 /nfs/dbraw/zinc/39/90/54/588399054.db2.gz ZRTNZJPTCRVDJN-LBPRGKRZSA-N 0 3 246.354 3.886 20 0 BHADHN CC(C)c1ccccc1CN1CC2(CC(F)C2)C1 ZINC000848915790 588420139 /nfs/dbraw/zinc/42/01/39/588420139.db2.gz ASRPVAMMBCDAIP-UHFFFAOYSA-N 0 3 247.357 3.744 20 0 BHADHN C[C@H](CNCc1noc2ccccc12)C(C)(C)C ZINC000848930339 588422014 /nfs/dbraw/zinc/42/20/14/588422014.db2.gz QMDUWKHOQWVRPR-LLVKDONJSA-N 0 3 246.354 3.600 20 0 BHADHN C[C@@H](CNCc1noc2ccccc12)C(C)(C)C ZINC000848930341 588421774 /nfs/dbraw/zinc/42/17/74/588421774.db2.gz QMDUWKHOQWVRPR-NSHDSACASA-N 0 3 246.354 3.600 20 0 BHADHN Clc1ccc2c(c1)[C@H](N[C@H]1C=CCC1)CC2 ZINC000849321945 588472285 /nfs/dbraw/zinc/47/22/85/588472285.db2.gz CNULQVMHWFHZCO-GXTWGEPZSA-N 0 3 233.742 3.636 20 0 BHADHN Clc1ccc2c(c1)[C@@H](N[C@H]1C=CCC1)CC2 ZINC000849321946 588472361 /nfs/dbraw/zinc/47/23/61/588472361.db2.gz CNULQVMHWFHZCO-JSGCOSHPSA-N 0 3 233.742 3.636 20 0 BHADHN Clc1ccc2c(c1)[C@@H](N[C@@H]1C=CCC1)CC2 ZINC000849321947 588472674 /nfs/dbraw/zinc/47/26/74/588472674.db2.gz CNULQVMHWFHZCO-OCCSQVGLSA-N 0 3 233.742 3.636 20 0 BHADHN Clc1ccc2c(c1)[C@H](N[C@@H]1C=CCC1)CC2 ZINC000849321948 588472264 /nfs/dbraw/zinc/47/22/64/588472264.db2.gz CNULQVMHWFHZCO-TZMCWYRMSA-N 0 3 233.742 3.636 20 0 BHADHN CC[C@@H](N[C@@H]1C=CCC1)c1ccc(F)cc1F ZINC000849322520 588472487 /nfs/dbraw/zinc/47/24/87/588472487.db2.gz IUDRJUYGRCKHEE-BXUZGUMPSA-N 0 3 237.293 3.724 20 0 BHADHN CC[C@H](N[C@H]1C=CCC1)c1ccc(F)cc1F ZINC000849322522 588472575 /nfs/dbraw/zinc/47/25/75/588472575.db2.gz IUDRJUYGRCKHEE-FZMZJTMJSA-N 0 3 237.293 3.724 20 0 BHADHN CC[C@H](N[C@@H]1C=CCC1)c1ccc(F)cc1F ZINC000849322524 588472244 /nfs/dbraw/zinc/47/22/44/588472244.db2.gz IUDRJUYGRCKHEE-RISCZKNCSA-N 0 3 237.293 3.724 20 0 BHADHN CC[C@@H](N[C@H]1C=CCC1)c1ccc(F)cc1F ZINC000849322525 588472641 /nfs/dbraw/zinc/47/26/41/588472641.db2.gz IUDRJUYGRCKHEE-SMDDNHRTSA-N 0 3 237.293 3.724 20 0 BHADHN Clc1cccc2c1CC[C@@H]2N[C@H]1C=CCC1 ZINC000849323128 588472325 /nfs/dbraw/zinc/47/23/25/588472325.db2.gz OCHAVSWYMRZWGY-HZMBPMFUSA-N 0 3 233.742 3.636 20 0 BHADHN Clc1cccc2c1CC[C@H]2N[C@H]1C=CCC1 ZINC000849323129 588472631 /nfs/dbraw/zinc/47/26/31/588472631.db2.gz OCHAVSWYMRZWGY-IINYFYTJSA-N 0 3 233.742 3.636 20 0 BHADHN Clc1cccc2c1CC[C@H]2N[C@@H]1C=CCC1 ZINC000849323130 588472273 /nfs/dbraw/zinc/47/22/73/588472273.db2.gz OCHAVSWYMRZWGY-QMTHXVAHSA-N 0 3 233.742 3.636 20 0 BHADHN Clc1cccc2c1CC[C@@H]2N[C@@H]1C=CCC1 ZINC000849323131 588472568 /nfs/dbraw/zinc/47/25/68/588472568.db2.gz OCHAVSWYMRZWGY-YGRLFVJLSA-N 0 3 233.742 3.636 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1cccnc1Cl ZINC000850355136 588538905 /nfs/dbraw/zinc/53/89/05/588538905.db2.gz GWTYMQYHWYIHTG-JTQLQIEISA-N 0 3 240.778 3.649 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1cccnc1Cl ZINC000850355137 588538442 /nfs/dbraw/zinc/53/84/42/588538442.db2.gz GWTYMQYHWYIHTG-SNVBAGLBSA-N 0 3 240.778 3.649 20 0 BHADHN C1=C[C@H](NCc2ccc(-c3ccccc3)o2)CC1 ZINC000850358466 588539421 /nfs/dbraw/zinc/53/94/21/588539421.db2.gz PKZKIBUBFNPCOU-AWEZNQCLSA-N 0 3 239.318 3.755 20 0 BHADHN C1=C[C@@H](NCc2ccc(-c3ccccc3)o2)CC1 ZINC000850358467 588539481 /nfs/dbraw/zinc/53/94/81/588539481.db2.gz PKZKIBUBFNPCOU-CQSZACIVSA-N 0 3 239.318 3.755 20 0 BHADHN FC(F)(F)c1ccc(CN[C@@H]2C=CCC2)s1 ZINC000850358527 588539232 /nfs/dbraw/zinc/53/92/32/588539232.db2.gz FQFHIEADQJRGHD-MRVPVSSYSA-N 0 3 247.285 3.575 20 0 BHADHN FC(F)(F)c1ccc(CN[C@H]2C=CCC2)s1 ZINC000850358531 588539475 /nfs/dbraw/zinc/53/94/75/588539475.db2.gz FQFHIEADQJRGHD-QMMMGPOBSA-N 0 3 247.285 3.575 20 0 BHADHN C1=C[C@@H](NCc2cnc(C3CCCC3)s2)CC1 ZINC000850358638 588539415 /nfs/dbraw/zinc/53/94/15/588539415.db2.gz ILBNDFNOVJKZMJ-GFCCVEGCSA-N 0 3 248.395 3.609 20 0 BHADHN C1=C[C@H](NCc2cnc(C3CCCC3)s2)CC1 ZINC000850358639 588539489 /nfs/dbraw/zinc/53/94/89/588539489.db2.gz ILBNDFNOVJKZMJ-LBPRGKRZSA-N 0 3 248.395 3.609 20 0 BHADHN FC(F)(F)c1cscc1CN[C@@H]1C=CCC1 ZINC000850360097 588540508 /nfs/dbraw/zinc/54/05/08/588540508.db2.gz ZOVFVYYYHUZEPY-SECBINFHSA-N 0 3 247.285 3.575 20 0 BHADHN FC(F)(F)c1cscc1CN[C@H]1C=CCC1 ZINC000850360098 588540327 /nfs/dbraw/zinc/54/03/27/588540327.db2.gz ZOVFVYYYHUZEPY-VIFPVBQESA-N 0 3 247.285 3.575 20 0 BHADHN CC(C)c1ncc(CN[C@]2(C)CC2(C)C)s1 ZINC000850398962 588544187 /nfs/dbraw/zinc/54/41/87/588544187.db2.gz FMJLCCNHCNONCP-CYBMUJFWSA-N 0 3 238.400 3.545 20 0 BHADHN CC(C)c1ncc(CN[C@@]2(C)CC2(C)C)s1 ZINC000850398963 588544511 /nfs/dbraw/zinc/54/45/11/588544511.db2.gz FMJLCCNHCNONCP-ZDUSSCGKSA-N 0 3 238.400 3.545 20 0 BHADHN Cc1cc(CNC2(CC(C)C)CC2)c(C)o1 ZINC000850404217 588544356 /nfs/dbraw/zinc/54/43/56/588544356.db2.gz ASVRTFLEMBEWAJ-UHFFFAOYSA-N 0 3 221.344 3.565 20 0 BHADHN Cc1cccc2c1CCC[C@@H]2NCc1ccoc1 ZINC000850412497 588545097 /nfs/dbraw/zinc/54/50/97/588545097.db2.gz ZQLOYWDWZUDYCL-INIZCTEOSA-N 0 3 241.334 3.755 20 0 BHADHN Cc1cccc2c1CCC[C@H]2NCc1ccoc1 ZINC000850412498 588545158 /nfs/dbraw/zinc/54/51/58/588545158.db2.gz ZQLOYWDWZUDYCL-MRXNPFEDSA-N 0 3 241.334 3.755 20 0 BHADHN C[C@H](N[C@H]1C=CCCC1)c1cc2cnccc2o1 ZINC000850445219 588547019 /nfs/dbraw/zinc/54/70/19/588547019.db2.gz QIEWIPPBWPCPGF-AAEUAGOBSA-N 0 3 242.322 3.587 20 0 BHADHN C[C@@H](N[C@@H]1C=CCCC1)c1cc2cnccc2o1 ZINC000850445220 588547072 /nfs/dbraw/zinc/54/70/72/588547072.db2.gz QIEWIPPBWPCPGF-DGCLKSJQSA-N 0 3 242.322 3.587 20 0 BHADHN C[C@H](N[C@@H]1C=CCCC1)c1cc2cnccc2o1 ZINC000850445221 588546997 /nfs/dbraw/zinc/54/69/97/588546997.db2.gz QIEWIPPBWPCPGF-WCQYABFASA-N 0 3 242.322 3.587 20 0 BHADHN C[C@@H](N[C@H]1C=CCCC1)c1cc2cnccc2o1 ZINC000850445222 588547263 /nfs/dbraw/zinc/54/72/63/588547263.db2.gz QIEWIPPBWPCPGF-YPMHNXCESA-N 0 3 242.322 3.587 20 0 BHADHN CC(C)=CCN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850464452 588548584 /nfs/dbraw/zinc/54/85/84/588548584.db2.gz HMFCPFPZBPUWKM-CYBMUJFWSA-N 0 3 245.366 3.628 20 0 BHADHN CC(C)=CCN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850464454 588548510 /nfs/dbraw/zinc/54/85/10/588548510.db2.gz HMFCPFPZBPUWKM-ZDUSSCGKSA-N 0 3 245.366 3.628 20 0 BHADHN CCc1noc(C)c1[C@@H](C)NCC[C@H](C)CC ZINC000850504742 588552566 /nfs/dbraw/zinc/55/25/66/588552566.db2.gz DNGTUXXRADMSMM-GHMZBOCLSA-N 0 3 238.375 3.632 20 0 BHADHN CCc1noc(C)c1[C@H](C)NCC[C@H](C)CC ZINC000850504743 588552910 /nfs/dbraw/zinc/55/29/10/588552910.db2.gz DNGTUXXRADMSMM-MNOVXSKESA-N 0 3 238.375 3.632 20 0 BHADHN CCc1noc(C)c1[C@H](C)NCC[C@@H](C)CC ZINC000850504744 588552886 /nfs/dbraw/zinc/55/28/86/588552886.db2.gz DNGTUXXRADMSMM-QWRGUYRKSA-N 0 3 238.375 3.632 20 0 BHADHN CCc1noc(C)c1[C@@H](C)NCC[C@@H](C)CC ZINC000850504745 588552774 /nfs/dbraw/zinc/55/27/74/588552774.db2.gz DNGTUXXRADMSMM-WDEREUQCSA-N 0 3 238.375 3.632 20 0 BHADHN CC[C@@H](C)CCN[C@H](C)c1cccnc1Cl ZINC000850505264 588552569 /nfs/dbraw/zinc/55/25/69/588552569.db2.gz QKGHPANOIJONJP-GHMZBOCLSA-N 0 3 240.778 3.822 20 0 BHADHN CC[C@@H](C)CCN[C@@H](C)c1cccnc1Cl ZINC000850505265 588552811 /nfs/dbraw/zinc/55/28/11/588552811.db2.gz QKGHPANOIJONJP-MNOVXSKESA-N 0 3 240.778 3.822 20 0 BHADHN CC[C@H](C)CCN[C@@H](C)c1cccnc1Cl ZINC000850505266 588552671 /nfs/dbraw/zinc/55/26/71/588552671.db2.gz QKGHPANOIJONJP-QWRGUYRKSA-N 0 3 240.778 3.822 20 0 BHADHN CC[C@H](C)CCN[C@H](C)c1cccnc1Cl ZINC000850505267 588552498 /nfs/dbraw/zinc/55/24/98/588552498.db2.gz QKGHPANOIJONJP-WDEREUQCSA-N 0 3 240.778 3.822 20 0 BHADHN Cc1cc(F)ccc1[C@H](C)N[C@H]1C=CCC1 ZINC000850506217 588552585 /nfs/dbraw/zinc/55/25/85/588552585.db2.gz CPNKWNOCWZBROK-AAEUAGOBSA-N 0 3 219.303 3.503 20 0 BHADHN Cc1cc(F)ccc1[C@@H](C)N[C@@H]1C=CCC1 ZINC000850506218 588552752 /nfs/dbraw/zinc/55/27/52/588552752.db2.gz CPNKWNOCWZBROK-DGCLKSJQSA-N 0 3 219.303 3.503 20 0 BHADHN Cc1cc(F)ccc1[C@H](C)N[C@@H]1C=CCC1 ZINC000850506219 588552528 /nfs/dbraw/zinc/55/25/28/588552528.db2.gz CPNKWNOCWZBROK-WCQYABFASA-N 0 3 219.303 3.503 20 0 BHADHN Cc1cc(F)ccc1[C@@H](C)N[C@H]1C=CCC1 ZINC000850506220 588552624 /nfs/dbraw/zinc/55/26/24/588552624.db2.gz CPNKWNOCWZBROK-YPMHNXCESA-N 0 3 219.303 3.503 20 0 BHADHN C[C@H](NC[C@]1(C)CC[C@H](C)C1(C)C)c1ncc[nH]1 ZINC000850506751 588553108 /nfs/dbraw/zinc/55/31/08/588553108.db2.gz LFCYHUVDTWZBAH-HUBLWGQQSA-N 0 3 249.402 3.523 20 0 BHADHN C[C@@H](NC[C@]1(C)CC[C@H](C)C1(C)C)c1ncc[nH]1 ZINC000850506752 588553396 /nfs/dbraw/zinc/55/33/96/588553396.db2.gz LFCYHUVDTWZBAH-ZOWXZIJZSA-N 0 3 249.402 3.523 20 0 BHADHN C[C@H](N[C@@H]1C=CCC1)c1ccc2ccccc2n1 ZINC000850507733 588553951 /nfs/dbraw/zinc/55/39/51/588553951.db2.gz GKBPUUOEWSWDCZ-GXTWGEPZSA-N 0 3 238.334 3.604 20 0 BHADHN C[C@H](N[C@H]1C=CCC1)c1ccc2ccccc2n1 ZINC000850507738 588554070 /nfs/dbraw/zinc/55/40/70/588554070.db2.gz GKBPUUOEWSWDCZ-JSGCOSHPSA-N 0 3 238.334 3.604 20 0 BHADHN C[C@@H](N[C@H]1C=CCC1)c1ccc2ccccc2n1 ZINC000850507741 588554271 /nfs/dbraw/zinc/55/42/71/588554271.db2.gz GKBPUUOEWSWDCZ-OCCSQVGLSA-N 0 3 238.334 3.604 20 0 BHADHN C[C@@H](N[C@@H]1C=CCC1)c1ccc2ccccc2n1 ZINC000850507744 588554238 /nfs/dbraw/zinc/55/42/38/588554238.db2.gz GKBPUUOEWSWDCZ-TZMCWYRMSA-N 0 3 238.334 3.604 20 0 BHADHN Fc1ccc2c(c1)[C@H](N[C@H]1C=CCC1)CCC2 ZINC000850508872 588554234 /nfs/dbraw/zinc/55/42/34/588554234.db2.gz KNLSOOGKAPKXRU-DZGCQCFKSA-N 0 3 231.314 3.511 20 0 BHADHN Fc1ccc2c(c1)[C@@H](N[C@@H]1C=CCC1)CCC2 ZINC000850508874 588553897 /nfs/dbraw/zinc/55/38/97/588553897.db2.gz KNLSOOGKAPKXRU-HIFRSBDPSA-N 0 3 231.314 3.511 20 0 BHADHN Fc1ccc2c(c1)[C@H](N[C@@H]1C=CCC1)CCC2 ZINC000850508875 588553747 /nfs/dbraw/zinc/55/37/47/588553747.db2.gz KNLSOOGKAPKXRU-UKRRQHHQSA-N 0 3 231.314 3.511 20 0 BHADHN Fc1ccc2c(c1)[C@@H](N[C@H]1C=CCC1)CCC2 ZINC000850508876 588553949 /nfs/dbraw/zinc/55/39/49/588553949.db2.gz KNLSOOGKAPKXRU-ZFWWWQNUSA-N 0 3 231.314 3.511 20 0 BHADHN COc1cc(C)c([C@H](C)N[C@H]2C=CCC2)cc1C ZINC000850509306 588554485 /nfs/dbraw/zinc/55/44/85/588554485.db2.gz NAOMRAFBJLNFLF-KBPBESRZSA-N 0 3 245.366 3.681 20 0 BHADHN COc1cc(C)c([C@@H](C)N[C@H]2C=CCC2)cc1C ZINC000850509308 588554847 /nfs/dbraw/zinc/55/48/47/588554847.db2.gz NAOMRAFBJLNFLF-KGLIPLIRSA-N 0 3 245.366 3.681 20 0 BHADHN COc1cc(C)c([C@H](C)N[C@@H]2C=CCC2)cc1C ZINC000850509310 588554582 /nfs/dbraw/zinc/55/45/82/588554582.db2.gz NAOMRAFBJLNFLF-UONOGXRCSA-N 0 3 245.366 3.681 20 0 BHADHN COc1cc(C)c([C@@H](C)N[C@@H]2C=CCC2)cc1C ZINC000850509312 588554693 /nfs/dbraw/zinc/55/46/93/588554693.db2.gz NAOMRAFBJLNFLF-ZIAGYGMSSA-N 0 3 245.366 3.681 20 0 BHADHN Cc1ccc([C@H](N[C@H]2C=CCC2)C2CCC2)o1 ZINC000850510063 588554784 /nfs/dbraw/zinc/55/47/84/588554784.db2.gz RDJZAZLGMVZLSA-DZGCQCFKSA-N 0 3 231.339 3.737 20 0 BHADHN Cc1ccc([C@@H](N[C@@H]2C=CCC2)C2CCC2)o1 ZINC000850510064 588554746 /nfs/dbraw/zinc/55/47/46/588554746.db2.gz RDJZAZLGMVZLSA-HIFRSBDPSA-N 0 3 231.339 3.737 20 0 BHADHN Cc1ccc([C@H](N[C@@H]2C=CCC2)C2CCC2)o1 ZINC000850510065 588554719 /nfs/dbraw/zinc/55/47/19/588554719.db2.gz RDJZAZLGMVZLSA-UKRRQHHQSA-N 0 3 231.339 3.737 20 0 BHADHN Cc1ccc([C@@H](N[C@H]2C=CCC2)C2CCC2)o1 ZINC000850510066 588554871 /nfs/dbraw/zinc/55/48/71/588554871.db2.gz RDJZAZLGMVZLSA-ZFWWWQNUSA-N 0 3 231.339 3.737 20 0 BHADHN Cc1ccc2c(c1)OCCC[C@H]2N[C@H]1C=CCC1 ZINC000850510101 588554660 /nfs/dbraw/zinc/55/46/60/588554660.db2.gz RVTUUOJCSNYEIW-DZGCQCFKSA-N 0 3 243.350 3.517 20 0 BHADHN Cc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1C=CCC1 ZINC000850510102 588554930 /nfs/dbraw/zinc/55/49/30/588554930.db2.gz RVTUUOJCSNYEIW-HIFRSBDPSA-N 0 3 243.350 3.517 20 0 BHADHN Cc1ccc2c(c1)OCCC[C@H]2N[C@@H]1C=CCC1 ZINC000850510103 588554638 /nfs/dbraw/zinc/55/46/38/588554638.db2.gz RVTUUOJCSNYEIW-UKRRQHHQSA-N 0 3 243.350 3.517 20 0 BHADHN C[C@H](N[C@@H]1C=CCC1)c1nccc2ccccc21 ZINC000850510158 588554526 /nfs/dbraw/zinc/55/45/26/588554526.db2.gz VPVITXGKENNLFN-GXTWGEPZSA-N 0 3 238.334 3.604 20 0 BHADHN C[C@H](N[C@H]1C=CCC1)c1nccc2ccccc21 ZINC000850510159 588554567 /nfs/dbraw/zinc/55/45/67/588554567.db2.gz VPVITXGKENNLFN-JSGCOSHPSA-N 0 3 238.334 3.604 20 0 BHADHN C[C@@H](N[C@H]1C=CCC1)c1nccc2ccccc21 ZINC000850510160 588554815 /nfs/dbraw/zinc/55/48/15/588554815.db2.gz VPVITXGKENNLFN-OCCSQVGLSA-N 0 3 238.334 3.604 20 0 BHADHN C[C@@H](N[C@@H]1C=CCC1)c1nccc2ccccc21 ZINC000850510161 588554854 /nfs/dbraw/zinc/55/48/54/588554854.db2.gz VPVITXGKENNLFN-TZMCWYRMSA-N 0 3 238.334 3.604 20 0 BHADHN Cc1ccc2c(c1)OCCC[C@@H]2N[C@H]1C=CCC1 ZINC000850510274 588554556 /nfs/dbraw/zinc/55/45/56/588554556.db2.gz RVTUUOJCSNYEIW-ZFWWWQNUSA-N 0 3 243.350 3.517 20 0 BHADHN CCC[C@@H](N[C@@H]1C=CCC1)c1ccsc1 ZINC000850510338 582923401 /nfs/dbraw/zinc/92/34/01/582923401.db2.gz SQYLYGNBKBHKHT-CHWSQXEVSA-N 0 3 221.369 3.898 20 0 BHADHN CCC[C@H](N[C@@H]1C=CCC1)c1ccsc1 ZINC000850510342 582923556 /nfs/dbraw/zinc/92/35/56/582923556.db2.gz SQYLYGNBKBHKHT-OLZOCXBDSA-N 0 3 221.369 3.898 20 0 BHADHN CCC[C@@H](N[C@H]1C=CCC1)c1ccsc1 ZINC000850510345 582923433 /nfs/dbraw/zinc/92/34/33/582923433.db2.gz SQYLYGNBKBHKHT-QWHCGFSZSA-N 0 3 221.369 3.898 20 0 BHADHN CCC[C@H](N[C@H]1C=CCC1)c1ccsc1 ZINC000850510346 582923357 /nfs/dbraw/zinc/92/33/57/582923357.db2.gz SQYLYGNBKBHKHT-STQMWFEESA-N 0 3 221.369 3.898 20 0 BHADHN CC[C@@H](N[C@H]1C=CCC1)c1cc(C)ccc1OC ZINC000850510587 588555523 /nfs/dbraw/zinc/55/55/23/588555523.db2.gz UXOGLHUAIYMGMD-DZGCQCFKSA-N 0 3 245.366 3.763 20 0 BHADHN CC[C@H](N[C@@H]1C=CCC1)c1cc(C)ccc1OC ZINC000850510589 588555361 /nfs/dbraw/zinc/55/53/61/588555361.db2.gz UXOGLHUAIYMGMD-HIFRSBDPSA-N 0 3 245.366 3.763 20 0 BHADHN CC[C@@H](N[C@@H]1C=CCC1)c1cc(C)ccc1OC ZINC000850510591 588555231 /nfs/dbraw/zinc/55/52/31/588555231.db2.gz UXOGLHUAIYMGMD-UKRRQHHQSA-N 0 3 245.366 3.763 20 0 BHADHN CC[C@H](N[C@H]1C=CCC1)c1cc(C)ccc1OC ZINC000850510593 588555519 /nfs/dbraw/zinc/55/55/19/588555519.db2.gz UXOGLHUAIYMGMD-ZFWWWQNUSA-N 0 3 245.366 3.763 20 0 BHADHN CC1(C)Cc2occc2[C@@H](N[C@H]2C=CCC2)C1 ZINC000850510851 588555439 /nfs/dbraw/zinc/55/54/39/588555439.db2.gz WTEOTVVVOKJEPJ-AAEUAGOBSA-N 0 3 231.339 3.601 20 0 BHADHN CC1(C)Cc2occc2[C@H](N[C@@H]2C=CCC2)C1 ZINC000850510852 588555247 /nfs/dbraw/zinc/55/52/47/588555247.db2.gz WTEOTVVVOKJEPJ-DGCLKSJQSA-N 0 3 231.339 3.601 20 0 BHADHN CC1(C)Cc2occc2[C@H](N[C@H]2C=CCC2)C1 ZINC000850510853 588555607 /nfs/dbraw/zinc/55/56/07/588555607.db2.gz WTEOTVVVOKJEPJ-WCQYABFASA-N 0 3 231.339 3.601 20 0 BHADHN CC1(C)Cc2occc2[C@@H](N[C@@H]2C=CCC2)C1 ZINC000850510854 588555178 /nfs/dbraw/zinc/55/51/78/588555178.db2.gz WTEOTVVVOKJEPJ-YPMHNXCESA-N 0 3 231.339 3.601 20 0 BHADHN Fc1ccc2c(c1)CCC[C@H]2N[C@H]1C=CCC1 ZINC000850511109 588555271 /nfs/dbraw/zinc/55/52/71/588555271.db2.gz ZKHKOEFVIAGHGV-DZGCQCFKSA-N 0 3 231.314 3.511 20 0 BHADHN Fc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C=CCC1 ZINC000850511110 588555171 /nfs/dbraw/zinc/55/51/71/588555171.db2.gz ZKHKOEFVIAGHGV-HIFRSBDPSA-N 0 3 231.314 3.511 20 0 BHADHN Fc1ccc2c(c1)CCC[C@H]2N[C@@H]1C=CCC1 ZINC000850511111 588555217 /nfs/dbraw/zinc/55/52/17/588555217.db2.gz ZKHKOEFVIAGHGV-UKRRQHHQSA-N 0 3 231.314 3.511 20 0 BHADHN Fc1ccc2c(c1)CCC[C@@H]2N[C@H]1C=CCC1 ZINC000850511112 588555494 /nfs/dbraw/zinc/55/54/94/588555494.db2.gz ZKHKOEFVIAGHGV-ZFWWWQNUSA-N 0 3 231.314 3.511 20 0 BHADHN Fc1ccc2c(c1)[C@@H](N[C@H]1C=CCC1)CCS2 ZINC000850511405 588556043 /nfs/dbraw/zinc/55/60/43/588556043.db2.gz DNXSNUPDLXXYBJ-AAEUAGOBSA-N 0 3 249.354 3.671 20 0 BHADHN Fc1ccc2c(c1)[C@H](N[C@@H]1C=CCC1)CCS2 ZINC000850511406 588555848 /nfs/dbraw/zinc/55/58/48/588555848.db2.gz DNXSNUPDLXXYBJ-DGCLKSJQSA-N 0 3 249.354 3.671 20 0 BHADHN Fc1ccc2c(c1)[C@H](N[C@H]1C=CCC1)CCS2 ZINC000850511407 588555967 /nfs/dbraw/zinc/55/59/67/588555967.db2.gz DNXSNUPDLXXYBJ-WCQYABFASA-N 0 3 249.354 3.671 20 0 BHADHN Fc1ccc2c(c1)[C@@H](N[C@@H]1C=CCC1)CCS2 ZINC000850511408 588555934 /nfs/dbraw/zinc/55/59/34/588555934.db2.gz DNXSNUPDLXXYBJ-YPMHNXCESA-N 0 3 249.354 3.671 20 0 BHADHN CC[C@@H](N[C@@H]1C=CCC1)c1cc(F)ccc1F ZINC000850511655 588556027 /nfs/dbraw/zinc/55/60/27/588556027.db2.gz KOOSVUCWTZKYHQ-BXUZGUMPSA-N 0 3 237.293 3.724 20 0 BHADHN CC[C@H](N[C@H]1C=CCC1)c1cc(F)ccc1F ZINC000850511656 588555938 /nfs/dbraw/zinc/55/59/38/588555938.db2.gz KOOSVUCWTZKYHQ-FZMZJTMJSA-N 0 3 237.293 3.724 20 0 BHADHN CC[C@H](N[C@@H]1C=CCC1)c1cc(F)ccc1F ZINC000850511657 588555782 /nfs/dbraw/zinc/55/57/82/588555782.db2.gz KOOSVUCWTZKYHQ-RISCZKNCSA-N 0 3 237.293 3.724 20 0 BHADHN CC[C@@H](N[C@H]1C=CCC1)c1cc(F)ccc1F ZINC000850511658 588555912 /nfs/dbraw/zinc/55/59/12/588555912.db2.gz KOOSVUCWTZKYHQ-SMDDNHRTSA-N 0 3 237.293 3.724 20 0 BHADHN C[C@@H](NCCC(C)(C)F)c1cccnc1Cl ZINC000850530729 588557919 /nfs/dbraw/zinc/55/79/19/588557919.db2.gz CECNJYOUNIGQHV-SECBINFHSA-N 0 3 244.741 3.524 20 0 BHADHN C[C@H](NCCC(C)(C)F)c1cccnc1Cl ZINC000850530730 588557707 /nfs/dbraw/zinc/55/77/07/588557707.db2.gz CECNJYOUNIGQHV-VIFPVBQESA-N 0 3 244.741 3.524 20 0 BHADHN C[C@@H](NCCC(C)(C)F)c1ccc(Cl)nc1 ZINC000850531923 588558304 /nfs/dbraw/zinc/55/83/04/588558304.db2.gz OCWOXLOMMUBEIQ-SECBINFHSA-N 0 3 244.741 3.524 20 0 BHADHN C[C@H](NCCC(C)(C)F)c1ccc(Cl)nc1 ZINC000850531924 588558127 /nfs/dbraw/zinc/55/81/27/588558127.db2.gz OCWOXLOMMUBEIQ-VIFPVBQESA-N 0 3 244.741 3.524 20 0 BHADHN C[C@@H](NCCC(C)(C)F)c1ccnc(Cl)c1 ZINC000850533058 588557672 /nfs/dbraw/zinc/55/76/72/588557672.db2.gz YBEMKQBSBXPURK-SECBINFHSA-N 0 3 244.741 3.524 20 0 BHADHN C[C@H](NCCC(C)(C)F)c1ccnc(Cl)c1 ZINC000850533059 588557822 /nfs/dbraw/zinc/55/78/22/588557822.db2.gz YBEMKQBSBXPURK-VIFPVBQESA-N 0 3 244.741 3.524 20 0 BHADHN CC[C@@H](N[C@H](C)c1cccnc1Cl)C1CC1 ZINC000850540875 588558698 /nfs/dbraw/zinc/55/86/98/588558698.db2.gz SPJSCXLXDNXLTO-BXKDBHETSA-N 0 3 238.762 3.574 20 0 BHADHN CC[C@H](N[C@@H](C)c1cccnc1Cl)C1CC1 ZINC000850540876 588558904 /nfs/dbraw/zinc/55/89/04/588558904.db2.gz SPJSCXLXDNXLTO-CABZTGNLSA-N 0 3 238.762 3.574 20 0 BHADHN CC[C@@H](N[C@@H](C)c1cccnc1Cl)C1CC1 ZINC000850540877 588558600 /nfs/dbraw/zinc/55/86/00/588558600.db2.gz SPJSCXLXDNXLTO-JOYOIKCWSA-N 0 3 238.762 3.574 20 0 BHADHN CC[C@H](N[C@H](C)c1cccnc1Cl)C1CC1 ZINC000850540878 588558631 /nfs/dbraw/zinc/55/86/31/588558631.db2.gz SPJSCXLXDNXLTO-SKDRFNHKSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@]1(C)CC1(C)C)c1cccnc1Cl ZINC000850556489 588560379 /nfs/dbraw/zinc/56/03/79/588560379.db2.gz QXABEHWCCORNOO-NOZJJQNGSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1cccnc1Cl ZINC000850556490 588560243 /nfs/dbraw/zinc/56/02/43/588560243.db2.gz QXABEHWCCORNOO-RNCFNFMXSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@]1(C)CC1(C)C)c1cccnc1Cl ZINC000850556491 588560246 /nfs/dbraw/zinc/56/02/46/588560246.db2.gz QXABEHWCCORNOO-TVQRCGJNSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@]1(C)CC1(C)C)c1cccnc1Cl ZINC000850556492 588560388 /nfs/dbraw/zinc/56/03/88/588560388.db2.gz QXABEHWCCORNOO-ZANVPECISA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@]1(C)CC1(C)C)c1ccc(Cl)nc1 ZINC000850556993 588560086 /nfs/dbraw/zinc/56/00/86/588560086.db2.gz TXMDEQQKIYEECY-NOZJJQNGSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1ccc(Cl)nc1 ZINC000850556994 588560392 /nfs/dbraw/zinc/56/03/92/588560392.db2.gz TXMDEQQKIYEECY-RNCFNFMXSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@]1(C)CC1(C)C)c1ccc(Cl)nc1 ZINC000850556995 588560253 /nfs/dbraw/zinc/56/02/53/588560253.db2.gz TXMDEQQKIYEECY-TVQRCGJNSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@]1(C)CC1(C)C)c1ccc(Cl)nc1 ZINC000850556996 588560226 /nfs/dbraw/zinc/56/02/26/588560226.db2.gz TXMDEQQKIYEECY-ZANVPECISA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@]1(C)CC1(C)C)c1ccnc(Cl)c1 ZINC000850557757 588560268 /nfs/dbraw/zinc/56/02/68/588560268.db2.gz XPCFSCWSIADRSQ-NOZJJQNGSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1ccnc(Cl)c1 ZINC000850557759 588560216 /nfs/dbraw/zinc/56/02/16/588560216.db2.gz XPCFSCWSIADRSQ-RNCFNFMXSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@]1(C)CC1(C)C)c1ccnc(Cl)c1 ZINC000850557763 588560405 /nfs/dbraw/zinc/56/04/05/588560405.db2.gz XPCFSCWSIADRSQ-TVQRCGJNSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](N[C@@]1(C)CC1(C)C)c1ccnc(Cl)c1 ZINC000850557766 588560294 /nfs/dbraw/zinc/56/02/94/588560294.db2.gz XPCFSCWSIADRSQ-ZANVPECISA-N 0 3 238.762 3.574 20 0 BHADHN C[C@@H](NC1CC(C)(C)C1)c1cccnc1Cl ZINC000850579337 588561683 /nfs/dbraw/zinc/56/16/83/588561683.db2.gz UPYNMVQOLCQLJG-SECBINFHSA-N 0 3 238.762 3.574 20 0 BHADHN C[C@H](NC1CC(C)(C)C1)c1cccnc1Cl ZINC000850579338 588561570 /nfs/dbraw/zinc/56/15/70/588561570.db2.gz UPYNMVQOLCQLJG-VIFPVBQESA-N 0 3 238.762 3.574 20 0 BHADHN CCCCN(CCCC)Cc1cccc(F)n1 ZINC000851712852 588616001 /nfs/dbraw/zinc/61/60/01/588616001.db2.gz VKMFVBVAHFVENB-UHFFFAOYSA-N 0 3 238.350 3.623 20 0 BHADHN Cc1cc([C@@H]2CCCN2CCCC2CCC2)no1 ZINC000851716662 588616082 /nfs/dbraw/zinc/61/60/82/588616082.db2.gz PCPBKWSPKFPQMX-HNNXBMFYSA-N 0 3 248.370 3.700 20 0 BHADHN Cc1cc([C@H]2CCCN2CCCC2CCC2)no1 ZINC000851716663 588616255 /nfs/dbraw/zinc/61/62/55/588616255.db2.gz PCPBKWSPKFPQMX-OAHLLOKOSA-N 0 3 248.370 3.700 20 0 BHADHN CCCCCN(Cc1cccc(F)n1)C(C)C ZINC000851725862 588617620 /nfs/dbraw/zinc/61/76/20/588617620.db2.gz HFOSIFITKFHOEX-UHFFFAOYSA-N 0 3 238.350 3.621 20 0 BHADHN CCN(CC=C(Cl)Cl)C1CCCC1 ZINC000851727201 588618362 /nfs/dbraw/zinc/61/83/62/588618362.db2.gz GJAUEWFUSSLUSM-UHFFFAOYSA-N 0 3 222.159 3.570 20 0 BHADHN Fc1cccc(CN(C2CC2)C2CCCCC2)n1 ZINC000851727566 588618334 /nfs/dbraw/zinc/61/83/34/588618334.db2.gz QWSPTHJZAJMIES-UHFFFAOYSA-N 0 3 248.345 3.518 20 0 BHADHN CCN(Cc1cccc(OC)c1Cl)C(C)C ZINC000851733229 588620172 /nfs/dbraw/zinc/62/01/72/588620172.db2.gz OEURWIDHMHCGPD-UHFFFAOYSA-N 0 3 241.762 3.579 20 0 BHADHN CC(C)(C)CC(C)(C)NCc1cccc(F)n1 ZINC000851749969 588623002 /nfs/dbraw/zinc/62/30/02/588623002.db2.gz SGUVAJBDRGRFCY-UHFFFAOYSA-N 0 3 238.350 3.525 20 0 BHADHN CC(C)=CCCN(C)Cc1ccc(Cl)nc1 ZINC000851799035 588630108 /nfs/dbraw/zinc/63/01/08/588630108.db2.gz LADWQTZSBSIBDG-UHFFFAOYSA-N 0 3 238.762 3.523 20 0 BHADHN Fc1cccc(CN2CCCC23CCCCC3)n1 ZINC000851871275 588637038 /nfs/dbraw/zinc/63/70/38/588637038.db2.gz OUUFSZGXKAUMBU-UHFFFAOYSA-N 0 3 248.345 3.519 20 0 BHADHN CN(CC=C(Cl)Cl)C1(C)CCCC1 ZINC000851993705 588652911 /nfs/dbraw/zinc/65/29/11/588652911.db2.gz KUPYUGKGIYSSIQ-UHFFFAOYSA-N 0 3 222.159 3.570 20 0 BHADHN ClC(Cl)=CCN(CC1CC1)C1CCC1 ZINC000852002988 588654394 /nfs/dbraw/zinc/65/43/94/588654394.db2.gz HKUZOKOHHVIIJE-UHFFFAOYSA-N 0 3 234.170 3.570 20 0 BHADHN c1c(CN2CCCCCCCC2)onc1C1CC1 ZINC000852139892 588666504 /nfs/dbraw/zinc/66/65/04/588666504.db2.gz FJKJKFJMFXHWMR-UHFFFAOYSA-N 0 3 248.370 3.708 20 0 BHADHN Cc1oncc1CN[C@H]1CCCC12CCCCC2 ZINC000852309946 588677956 /nfs/dbraw/zinc/67/79/56/588677956.db2.gz IXWYJXSFUYRZQV-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1oncc1CN[C@@H]1CCCC12CCCCC2 ZINC000852309947 588678093 /nfs/dbraw/zinc/67/80/93/588678093.db2.gz IXWYJXSFUYRZQV-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1oncc1CN1CCCC2(CCCC2)CC1 ZINC000852355757 588679683 /nfs/dbraw/zinc/67/96/83/588679683.db2.gz ZTZQVTROWQJXMR-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN Clc1ccc2c(c1)CC[C@@H]2N1CC[C@@H]2C[C@@H]2C1 ZINC000852634644 588693371 /nfs/dbraw/zinc/69/33/71/588693371.db2.gz PRBIFAFHRRLWSJ-HCKVZZMMSA-N 0 3 247.769 3.669 20 0 BHADHN Clc1ccc2c(c1)CC[C@@H]2N1CC[C@H]2C[C@H]2C1 ZINC000852634648 588693205 /nfs/dbraw/zinc/69/32/05/588693205.db2.gz PRBIFAFHRRLWSJ-WBIUFABUSA-N 0 3 247.769 3.669 20 0 BHADHN CCC(CC)CCCN(C)Cc1cnoc1C ZINC000852671213 588695094 /nfs/dbraw/zinc/69/50/94/588695094.db2.gz KFWDTNVOOSDLAN-UHFFFAOYSA-N 0 3 238.375 3.631 20 0 BHADHN CC[C@@H](c1ccccc1)N(CCF)C(C)C ZINC000852691019 588696273 /nfs/dbraw/zinc/69/62/73/588696273.db2.gz VUSDRMMNLZFHPK-AWEZNQCLSA-N 0 3 223.335 3.818 20 0 BHADHN CC[C@H](c1ccccc1)N(CCF)C(C)C ZINC000852691021 588696149 /nfs/dbraw/zinc/69/61/49/588696149.db2.gz VUSDRMMNLZFHPK-CQSZACIVSA-N 0 3 223.335 3.818 20 0 BHADHN CC1C[C@H]2CC[C@@H](C1)N2CC=C(Cl)Cl ZINC000852699818 588696801 /nfs/dbraw/zinc/69/68/01/588696801.db2.gz CGRBLPXHPMKPOL-PBINXNQUSA-N 0 3 234.170 3.568 20 0 BHADHN Cc1oncc1CN1CCCC[C@H]1CC1CCC1 ZINC000852711197 588696968 /nfs/dbraw/zinc/69/69/68/588696968.db2.gz CRSIXDDUNIOEOG-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1oncc1CN1CCCC[C@@H]1CC1CCC1 ZINC000852711198 588697252 /nfs/dbraw/zinc/69/72/52/588697252.db2.gz CRSIXDDUNIOEOG-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN CC[C@@H]1CCC[C@H](C)N1Cc1ncc(C)s1 ZINC000852712628 588697489 /nfs/dbraw/zinc/69/74/89/588697489.db2.gz SKTWVIHFTSCHKW-CMPLNLGQSA-N 0 3 238.400 3.605 20 0 BHADHN CC12CC(C1)CN2[C@@H]1CCc2cc(Cl)ccc21 ZINC000852786427 588702661 /nfs/dbraw/zinc/70/26/61/588702661.db2.gz MKDQJMVVKUXCPR-CIQACWJJSA-N 0 3 247.769 3.812 20 0 BHADHN CC12CC(C1)CN2[C@H]1CCc2cc(Cl)ccc21 ZINC000852786433 588702698 /nfs/dbraw/zinc/70/26/98/588702698.db2.gz MKDQJMVVKUXCPR-CUMGRINNSA-N 0 3 247.769 3.812 20 0 BHADHN CC(C)c1cccc(CN[C@H](C)c2ccc[nH]2)c1 ZINC000853086659 588719235 /nfs/dbraw/zinc/71/92/35/588719235.db2.gz MPCISUBQMQWXSB-CYBMUJFWSA-N 0 3 242.366 3.989 20 0 BHADHN CC(C)c1cccc(CN[C@@H](C)c2ccc[nH]2)c1 ZINC000853086665 588719090 /nfs/dbraw/zinc/71/90/90/588719090.db2.gz MPCISUBQMQWXSB-ZDUSSCGKSA-N 0 3 242.366 3.989 20 0 BHADHN Clc1cncc(CN2CCCCCCC2)c1 ZINC000856717878 588875031 /nfs/dbraw/zinc/87/50/31/588875031.db2.gz KMYLKQNNGJYVOH-UHFFFAOYSA-N 0 3 238.762 3.501 20 0 BHADHN Cc1cc(CN2CCCC3(CCCC3)C2)ccn1 ZINC000856738367 588875349 /nfs/dbraw/zinc/87/53/49/588875349.db2.gz BERABJLPHPBATC-UHFFFAOYSA-N 0 3 244.382 3.546 20 0 BHADHN CCCc1ccc(CN[C@H](C)c2ccc[nH]2)s1 ZINC000856775703 588877231 /nfs/dbraw/zinc/87/72/31/588877231.db2.gz QUKWBLRUJMHBSH-LLVKDONJSA-N 0 3 248.395 3.880 20 0 BHADHN CCCc1ccc(CN[C@@H](C)c2ccc[nH]2)s1 ZINC000856775704 588877140 /nfs/dbraw/zinc/87/71/40/588877140.db2.gz QUKWBLRUJMHBSH-NSHDSACASA-N 0 3 248.395 3.880 20 0 BHADHN CCCc1ccc(CN[C@@H]2C=CCC2)s1 ZINC000856794634 588878368 /nfs/dbraw/zinc/87/83/68/588878368.db2.gz SAEWHDWCERHXJZ-LLVKDONJSA-N 0 3 221.369 3.509 20 0 BHADHN CCCc1ccc(CN[C@H]2C=CCC2)s1 ZINC000856794635 588878395 /nfs/dbraw/zinc/87/83/95/588878395.db2.gz SAEWHDWCERHXJZ-NSHDSACASA-N 0 3 221.369 3.509 20 0 BHADHN CCCC[C@H](CC)CN[C@@H]1CCCc2c[nH]nc21 ZINC000857845168 588911828 /nfs/dbraw/zinc/91/18/28/588911828.db2.gz CCHKZCYDTDZGGP-GXTWGEPZSA-N 0 3 249.402 3.593 20 0 BHADHN CCCC[C@H](CC)CN[C@H]1CCCc2c[nH]nc21 ZINC000857845169 588911937 /nfs/dbraw/zinc/91/19/37/588911937.db2.gz CCHKZCYDTDZGGP-JSGCOSHPSA-N 0 3 249.402 3.593 20 0 BHADHN CCCC[C@@H](CC)CN[C@H]1CCCc2c[nH]nc21 ZINC000857845170 588911886 /nfs/dbraw/zinc/91/18/86/588911886.db2.gz CCHKZCYDTDZGGP-OCCSQVGLSA-N 0 3 249.402 3.593 20 0 BHADHN CCCC[C@@H](CC)CN[C@@H]1CCCc2c[nH]nc21 ZINC000857845171 588911914 /nfs/dbraw/zinc/91/19/14/588911914.db2.gz CCHKZCYDTDZGGP-TZMCWYRMSA-N 0 3 249.402 3.593 20 0 BHADHN CC(C)(C)CCCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857853642 588913647 /nfs/dbraw/zinc/91/36/47/588913647.db2.gz TVFMTJSQRWLKCA-CYBMUJFWSA-N 0 3 249.402 3.593 20 0 BHADHN CC(C)(C)CCCCN[C@H]1CCCc2c[nH]nc21 ZINC000857853643 588912962 /nfs/dbraw/zinc/91/29/62/588912962.db2.gz TVFMTJSQRWLKCA-ZDUSSCGKSA-N 0 3 249.402 3.593 20 0 BHADHN CCC(CC)(CC)CN[C@@H]1CCCc2c[nH]nc21 ZINC000857857561 588913851 /nfs/dbraw/zinc/91/38/51/588913851.db2.gz FFGXSRWYSJKBID-CYBMUJFWSA-N 0 3 249.402 3.593 20 0 BHADHN CCC(CC)(CC)CN[C@H]1CCCc2c[nH]nc21 ZINC000857857562 588913896 /nfs/dbraw/zinc/91/38/96/588913896.db2.gz FFGXSRWYSJKBID-ZDUSSCGKSA-N 0 3 249.402 3.593 20 0 BHADHN CC1(C)CCCC[C@H]1CN1Cc2ccncc2C1 ZINC000857881098 588920244 /nfs/dbraw/zinc/92/02/44/588920244.db2.gz BVCFFRDYKYTEOQ-HNNXBMFYSA-N 0 3 244.382 3.614 20 0 BHADHN CC1(C)CCCC[C@@H]1CN1Cc2ccncc2C1 ZINC000857881099 588919783 /nfs/dbraw/zinc/91/97/83/588919783.db2.gz BVCFFRDYKYTEOQ-OAHLLOKOSA-N 0 3 244.382 3.614 20 0 BHADHN CCC[C@H](C)N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857902664 588921994 /nfs/dbraw/zinc/92/19/94/588921994.db2.gz ULIAABAARQYQCD-GXSJLCMTSA-N 0 3 238.762 3.501 20 0 BHADHN CCC[C@@H](C)N[C@H]1CCc2ccc(Cl)nc21 ZINC000857902673 588922113 /nfs/dbraw/zinc/92/21/13/588922113.db2.gz ULIAABAARQYQCD-KOLCDFICSA-N 0 3 238.762 3.501 20 0 BHADHN CCC[C@@H](C)N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857902676 588922032 /nfs/dbraw/zinc/92/20/32/588922032.db2.gz ULIAABAARQYQCD-MWLCHTKSSA-N 0 3 238.762 3.501 20 0 BHADHN CCC[C@H](C)N[C@H]1CCc2ccc(Cl)nc21 ZINC000857902679 588922055 /nfs/dbraw/zinc/92/20/55/588922055.db2.gz ULIAABAARQYQCD-ONGXEEELSA-N 0 3 238.762 3.501 20 0 BHADHN CC1(C)CCC(C)(NCc2cscn2)CC1 ZINC000858274815 588942117 /nfs/dbraw/zinc/94/21/17/588942117.db2.gz FCGOZXOAZFPUSZ-UHFFFAOYSA-N 0 3 238.400 3.592 20 0 BHADHN CC1(C)CCC(C)(NCc2nccs2)CC1 ZINC000858275202 588942084 /nfs/dbraw/zinc/94/20/84/588942084.db2.gz OGCIOIAOYJYITF-UHFFFAOYSA-N 0 3 238.400 3.592 20 0 BHADHN C/C=C\CNCc1ccc(SC(F)F)cc1 ZINC000858290547 588942394 /nfs/dbraw/zinc/94/23/94/588942394.db2.gz GDKUPZIEPVZIKE-IHWYPQMZSA-N 0 3 243.322 3.667 20 0 BHADHN C/C=C/CNCc1ccc(SC(F)F)cc1 ZINC000858290550 588942522 /nfs/dbraw/zinc/94/25/22/588942522.db2.gz GDKUPZIEPVZIKE-NSCUHMNNSA-N 0 3 243.322 3.667 20 0 BHADHN CCCCCCN[C@@H]1CCCc2scnc21 ZINC000858345103 588947702 /nfs/dbraw/zinc/94/77/02/588947702.db2.gz GYGNABGECQLMCH-LLVKDONJSA-N 0 3 238.400 3.690 20 0 BHADHN CCCCCCN[C@H]1CCCc2scnc21 ZINC000858345104 588947583 /nfs/dbraw/zinc/94/75/83/588947583.db2.gz GYGNABGECQLMCH-NSHDSACASA-N 0 3 238.400 3.690 20 0 BHADHN C/C=C\CN[C@H](C)c1cc(C)c(OC)cc1C ZINC000858538702 588963625 /nfs/dbraw/zinc/96/36/25/588963625.db2.gz XGUDYZJUACHBEG-FMFIFOJESA-N 0 3 233.355 3.539 20 0 BHADHN C/C=C\CN[C@@H](C)c1cc(C)c(OC)cc1C ZINC000858538704 588963686 /nfs/dbraw/zinc/96/36/86/588963686.db2.gz XGUDYZJUACHBEG-FWWRYZNZSA-N 0 3 233.355 3.539 20 0 BHADHN C/C=C/CN[C@H](C)c1cc(C)c(OC)cc1C ZINC000858538707 588963519 /nfs/dbraw/zinc/96/35/19/588963519.db2.gz XGUDYZJUACHBEG-KTRBRXNASA-N 0 3 233.355 3.539 20 0 BHADHN C/C=C/CN[C@@H](C)c1cc(C)c(OC)cc1C ZINC000858538709 588963628 /nfs/dbraw/zinc/96/36/28/588963628.db2.gz XGUDYZJUACHBEG-YBJDMEARSA-N 0 3 233.355 3.539 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@@H](C)c1ccns1 ZINC000858577267 588968154 /nfs/dbraw/zinc/96/81/54/588968154.db2.gz JTTCMNMJRMUDQJ-NEPJUHHUSA-N 0 3 238.400 3.929 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@H](C)c1ccns1 ZINC000858577269 588968453 /nfs/dbraw/zinc/96/84/53/588968453.db2.gz JTTCMNMJRMUDQJ-NWDGAFQWSA-N 0 3 238.400 3.929 20 0 BHADHN CC(C)=CCC[C@H](C)N[C@@H](C)c1ccns1 ZINC000858577272 588968388 /nfs/dbraw/zinc/96/83/88/588968388.db2.gz JTTCMNMJRMUDQJ-RYUDHWBXSA-N 0 3 238.400 3.929 20 0 BHADHN CC(C)=CCC[C@@H](C)N[C@H](C)c1ccns1 ZINC000858577274 588968341 /nfs/dbraw/zinc/96/83/41/588968341.db2.gz JTTCMNMJRMUDQJ-VXGBXAGGSA-N 0 3 238.400 3.929 20 0 BHADHN CCCCN(CCCC)Cc1ccnc(F)c1 ZINC000859055949 588995049 /nfs/dbraw/zinc/99/50/49/588995049.db2.gz LOUQHHLEQIKYCD-UHFFFAOYSA-N 0 3 238.350 3.623 20 0 BHADHN Cc1cc([C@@H]2CCCN2CC2CC(C)(C)C2)no1 ZINC000859060243 588995558 /nfs/dbraw/zinc/99/55/58/588995558.db2.gz PMNDOSAUSGBDPT-AWEZNQCLSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cc([C@H]2CCCN2CC2CC(C)(C)C2)no1 ZINC000859060247 588995408 /nfs/dbraw/zinc/99/54/08/588995408.db2.gz PMNDOSAUSGBDPT-CQSZACIVSA-N 0 3 248.370 3.556 20 0 BHADHN CCCCCN(Cc1ccnc(F)c1)C(C)C ZINC000859072441 588997328 /nfs/dbraw/zinc/99/73/28/588997328.db2.gz DTLAFRUMMUNFIZ-UHFFFAOYSA-N 0 3 238.350 3.621 20 0 BHADHN Fc1cc(CN(C2CC2)C2CCCCC2)ccn1 ZINC000859076509 588997543 /nfs/dbraw/zinc/99/75/43/588997543.db2.gz IAAFYELCWNZSGK-UHFFFAOYSA-N 0 3 248.345 3.518 20 0 BHADHN FC1(F)C[C@H]2CC[C@@H](C1)N2Cc1ccsc1 ZINC000859428710 589036649 /nfs/dbraw/zinc/03/66/49/589036649.db2.gz CKRKDSKZLREUBX-PHIMTYICSA-N 0 3 243.322 3.510 20 0 BHADHN Cc1ccc(CN(CCF)C(C)(C)C)cc1 ZINC000859437947 589037202 /nfs/dbraw/zinc/03/72/02/589037202.db2.gz IGOUARWWTAIXEC-UHFFFAOYSA-N 0 3 223.335 3.565 20 0 BHADHN CC(C)Oc1ccc(CN(C2CC2)C2CC2)cc1 ZINC000859622998 589049747 /nfs/dbraw/zinc/04/97/47/589049747.db2.gz QKHKSBVPOKNZKS-UHFFFAOYSA-N 0 3 245.366 3.601 20 0 BHADHN C[C@]12CCCC[C@H]1CN2Cc1ccsc1 ZINC000860047844 589077305 /nfs/dbraw/zinc/07/73/05/589077305.db2.gz JFONEXZLYFZCKM-STQMWFEESA-N 0 3 221.369 3.513 20 0 BHADHN C[C@@H](NCCCC1CCCC1)c1ccns1 ZINC000860053670 589076998 /nfs/dbraw/zinc/07/69/98/589076998.db2.gz BOQZGGOTFRVUEA-LLVKDONJSA-N 0 3 238.400 3.764 20 0 BHADHN C[C@H](NCCCC1CCCC1)c1ccns1 ZINC000860053671 589076568 /nfs/dbraw/zinc/07/65/68/589076568.db2.gz BOQZGGOTFRVUEA-NSHDSACASA-N 0 3 238.400 3.764 20 0 BHADHN Cl/C=C(/Cl)CN1CCCC2(CC2)CC1 ZINC000860072479 589079582 /nfs/dbraw/zinc/07/95/82/589079582.db2.gz DYPHLOQOOHPOLF-CSKARUKUSA-N 0 3 234.170 3.572 20 0 BHADHN Cl/C=C(\Cl)CN1CCCC2(CC2)CC1 ZINC000860072480 589079442 /nfs/dbraw/zinc/07/94/42/589079442.db2.gz DYPHLOQOOHPOLF-NTMALXAHSA-N 0 3 234.170 3.572 20 0 BHADHN CC(C)N(Cc1cnc(C2CC2)o1)C1CCCC1 ZINC000862225288 589195559 /nfs/dbraw/zinc/19/55/59/589195559.db2.gz QKPJDTDMCLMOEL-UHFFFAOYSA-N 0 3 248.370 3.705 20 0 BHADHN Cc1ncc(CN(C)C2CCCCCCC2)o1 ZINC000862237189 589196046 /nfs/dbraw/zinc/19/60/46/589196046.db2.gz JNCAOFZLMDRGHN-UHFFFAOYSA-N 0 3 236.359 3.528 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1ccnc(F)c1C ZINC000862372007 589205158 /nfs/dbraw/zinc/20/51/58/589205158.db2.gz LTXDYGBNJPFOBY-LLVKDONJSA-N 0 3 238.350 3.540 20 0 BHADHN CCCC[C@H](C)N(C)Cc1ccnc(F)c1C ZINC000862372008 589205289 /nfs/dbraw/zinc/20/52/89/589205289.db2.gz LTXDYGBNJPFOBY-NSHDSACASA-N 0 3 238.350 3.540 20 0 BHADHN c1nc(C2CC2)oc1CN1CCCCCCCC1 ZINC000862387206 589207352 /nfs/dbraw/zinc/20/73/52/589207352.db2.gz HUPIZENUSOTMEM-UHFFFAOYSA-N 0 3 248.370 3.708 20 0 BHADHN Cc1cc(CN2CCCC(F)(F)CC2)c(C)o1 ZINC000862466789 589216768 /nfs/dbraw/zinc/21/67/68/589216768.db2.gz KUSMKAJPRNHROZ-UHFFFAOYSA-N 0 3 243.297 3.518 20 0 BHADHN C[C@@H](NC1CC(C(C)(C)C)C1)c1ccns1 ZINC000862539625 589218321 /nfs/dbraw/zinc/21/83/21/589218321.db2.gz PCHUCVJQRXYFAO-KPPDAEKUSA-N 0 3 238.400 3.618 20 0 BHADHN C[C@H](NC1CC(C(C)(C)C)C1)c1ccns1 ZINC000862539629 589218148 /nfs/dbraw/zinc/21/81/48/589218148.db2.gz PCHUCVJQRXYFAO-WHXUTIOJSA-N 0 3 238.400 3.618 20 0 BHADHN CCCCCC[C@@H](C)NCc1cn(C2CC2)cn1 ZINC000865397715 589431816 /nfs/dbraw/zinc/43/18/16/589431816.db2.gz TVBIIBQGBTXACO-CYBMUJFWSA-N 0 3 249.402 3.667 20 0 BHADHN CCCCCC[C@H](C)NCc1cn(C2CC2)cn1 ZINC000865397716 589432049 /nfs/dbraw/zinc/43/20/49/589432049.db2.gz TVBIIBQGBTXACO-ZDUSSCGKSA-N 0 3 249.402 3.667 20 0 BHADHN CC(C)CCC[C@@H](C)NCc1cn(C2CC2)cn1 ZINC000865398031 589432144 /nfs/dbraw/zinc/43/21/44/589432144.db2.gz PLQHZDDDVKYCIB-CYBMUJFWSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)CCC[C@H](C)NCc1cn(C2CC2)cn1 ZINC000865398032 589432083 /nfs/dbraw/zinc/43/20/83/589432083.db2.gz PLQHZDDDVKYCIB-ZDUSSCGKSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)(C)CC(C)(C)NCc1cn(C2CC2)cn1 ZINC000865410258 589434170 /nfs/dbraw/zinc/43/41/70/589434170.db2.gz ODPGNVVODUDCRV-UHFFFAOYSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)(C)CCCCNCc1cn(C2CC2)cn1 ZINC000865449255 589436382 /nfs/dbraw/zinc/43/63/82/589436382.db2.gz WWQBGWGOQDFPLI-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN C[C@H](CCC(C)(C)C)NCc1cn(C2CC2)cn1 ZINC000865468301 589438445 /nfs/dbraw/zinc/43/84/45/589438445.db2.gz GFXFNSUBVXIAMM-GFCCVEGCSA-N 0 3 249.402 3.522 20 0 BHADHN C[C@@H](CCC(C)(C)C)NCc1cn(C2CC2)cn1 ZINC000865468303 589438530 /nfs/dbraw/zinc/43/85/30/589438530.db2.gz GFXFNSUBVXIAMM-LBPRGKRZSA-N 0 3 249.402 3.522 20 0 BHADHN CCCC[C@@H](CCC)NCc1cn(C2CC2)cn1 ZINC000865484574 589440150 /nfs/dbraw/zinc/44/01/50/589440150.db2.gz YUQJYHGQQGNBDJ-CYBMUJFWSA-N 0 3 249.402 3.667 20 0 BHADHN CCCC[C@H](CCC)NCc1cn(C2CC2)cn1 ZINC000865484575 589440551 /nfs/dbraw/zinc/44/05/51/589440551.db2.gz YUQJYHGQQGNBDJ-ZDUSSCGKSA-N 0 3 249.402 3.667 20 0 BHADHN CCC(CC)(CC)CNCc1cn(C2CC2)cn1 ZINC000865490774 589441076 /nfs/dbraw/zinc/44/10/76/589441076.db2.gz FWNOTEZLYOOYKI-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN Cc1c(Cl)cccc1CN[C@H](C)c1ccc[nH]1 ZINC000865512400 589442967 /nfs/dbraw/zinc/44/29/67/589442967.db2.gz FDJNYJCKMYUNIA-LLVKDONJSA-N 0 3 248.757 3.827 20 0 BHADHN Cc1c(Cl)cccc1CN[C@@H](C)c1ccc[nH]1 ZINC000865512401 589443023 /nfs/dbraw/zinc/44/30/23/589443023.db2.gz FDJNYJCKMYUNIA-NSHDSACASA-N 0 3 248.757 3.827 20 0 BHADHN Cc1scc(CN[C@@H](C)c2ccc[nH]2)c1C ZINC000865512556 589443072 /nfs/dbraw/zinc/44/30/72/589443072.db2.gz PJUQQVBYTKBHPU-JTQLQIEISA-N 0 3 234.368 3.544 20 0 BHADHN Cc1scc(CN[C@H](C)c2ccc[nH]2)c1C ZINC000865512557 589443107 /nfs/dbraw/zinc/44/31/07/589443107.db2.gz PJUQQVBYTKBHPU-SNVBAGLBSA-N 0 3 234.368 3.544 20 0 BHADHN Cc1c(Cl)cccc1CNC1CC(F)(F)C1 ZINC000865543314 589444788 /nfs/dbraw/zinc/44/47/88/589444788.db2.gz IDNHNRGELZRLGS-UHFFFAOYSA-N 0 3 245.700 3.536 20 0 BHADHN Cc1c(Cl)cccc1CNCCC(C)(F)F ZINC000865583460 589449138 /nfs/dbraw/zinc/44/91/38/589449138.db2.gz VGDBPIPBSXYZEP-UHFFFAOYSA-N 0 3 247.716 3.783 20 0 BHADHN CCC[C@H](NCc1cn(C2CC2)cn1)C(C)(C)C ZINC000865587643 589449170 /nfs/dbraw/zinc/44/91/70/589449170.db2.gz SZMDKSWSGRJHEC-AWEZNQCLSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@@H](NCc1cn(C2CC2)cn1)C(C)(C)C ZINC000865587644 589448981 /nfs/dbraw/zinc/44/89/81/589448981.db2.gz SZMDKSWSGRJHEC-CQSZACIVSA-N 0 3 249.402 3.522 20 0 BHADHN CC(C)(C)Oc1cccc(CN[C@H]2CC23CC3)c1 ZINC000865609720 589451073 /nfs/dbraw/zinc/45/10/73/589451073.db2.gz QANGHNSBTGELGI-AWEZNQCLSA-N 0 3 245.366 3.506 20 0 BHADHN CC(C)(C)Oc1cccc(CN[C@@H]2CC23CC3)c1 ZINC000865609721 589451196 /nfs/dbraw/zinc/45/11/96/589451196.db2.gz QANGHNSBTGELGI-CQSZACIVSA-N 0 3 245.366 3.506 20 0 BHADHN F[C@@H]1CCCC[C@@H]1NCc1ccc2cc[nH]c2c1 ZINC000865696574 589456998 /nfs/dbraw/zinc/45/69/98/589456998.db2.gz GCGVZLHITNVQFR-KGLIPLIRSA-N 0 3 246.329 3.538 20 0 BHADHN F[C@@H]1CCCC[C@@H]1NCc1ccc2[nH]ccc2c1 ZINC000865697123 589456863 /nfs/dbraw/zinc/45/68/63/589456863.db2.gz SXTDWFMBYWZWRR-HIFRSBDPSA-N 0 3 246.329 3.538 20 0 BHADHN F[C@@H]1CCCC[C@@H]1NCc1cccc2cc[nH]c21 ZINC000865698415 589457069 /nfs/dbraw/zinc/45/70/69/589457069.db2.gz ADEBLSKEMLABLD-KGLIPLIRSA-N 0 3 246.329 3.538 20 0 BHADHN F[C@@H]1CCCC[C@@H]1NCc1cc2ccccc2[nH]1 ZINC000865698988 589457237 /nfs/dbraw/zinc/45/72/37/589457237.db2.gz JTPCJUCZRKDFFN-HIFRSBDPSA-N 0 3 246.329 3.538 20 0 BHADHN F[C@@H]1CCCC[C@@H]1NCc1cccc2[nH]ccc21 ZINC000865699069 584027337 /nfs/dbraw/zinc/02/73/37/584027337.db2.gz LLNUGGGGMHNDSF-HIFRSBDPSA-N 0 3 246.329 3.538 20 0 BHADHN CCC(CC)(CNCc1ccoc1)C(F)(F)F ZINC000865756762 589461273 /nfs/dbraw/zinc/46/12/73/589461273.db2.gz AEHPFQZWJBEJLD-UHFFFAOYSA-N 0 3 249.276 3.738 20 0 BHADHN Cc1cc(CNCC(C)(C)C(C)(F)F)c(C)o1 ZINC000865789728 589462219 /nfs/dbraw/zinc/46/22/19/589462219.db2.gz PJUWAEQQZVLXTN-UHFFFAOYSA-N 0 3 245.313 3.667 20 0 BHADHN CC(C)[C@H](N[C@@H]1CC12CCCC2)c1ccccn1 ZINC000866345868 589487134 /nfs/dbraw/zinc/48/71/34/589487134.db2.gz GEYSPSXGKKPUDU-CABCVRRESA-N 0 3 244.382 3.701 20 0 BHADHN CC(C)[C@H](N[C@H]1CC12CCCC2)c1ccccn1 ZINC000866345870 589487209 /nfs/dbraw/zinc/48/72/09/589487209.db2.gz GEYSPSXGKKPUDU-GJZGRUSLSA-N 0 3 244.382 3.701 20 0 BHADHN CC(C)[C@@H](N[C@@H]1CC12CCCC2)c1ccccn1 ZINC000866345872 589487239 /nfs/dbraw/zinc/48/72/39/589487239.db2.gz GEYSPSXGKKPUDU-HUUCEWRRSA-N 0 3 244.382 3.701 20 0 BHADHN CC(C)[C@@H](N[C@H]1CC12CCCC2)c1ccccn1 ZINC000866345874 589487222 /nfs/dbraw/zinc/48/72/22/589487222.db2.gz GEYSPSXGKKPUDU-LSDHHAIUSA-N 0 3 244.382 3.701 20 0 BHADHN CC(C)[C@H](N[C@@H]1C[C@H]1C1CCC1)c1ccccn1 ZINC000866380037 589488964 /nfs/dbraw/zinc/48/89/64/589488964.db2.gz YYCUKEYJORSWLH-IMJJTQAJSA-N 0 3 244.382 3.557 20 0 BHADHN CC(C)[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1ccccn1 ZINC000866380038 589489023 /nfs/dbraw/zinc/48/90/23/589489023.db2.gz YYCUKEYJORSWLH-NUEKZKHPSA-N 0 3 244.382 3.557 20 0 BHADHN CC(C)[C@@H](NCCC(C)(C)F)c1ccccn1 ZINC000866388607 589489460 /nfs/dbraw/zinc/48/94/60/589489460.db2.gz DEQPAMPATAWNIL-CYBMUJFWSA-N 0 3 238.350 3.507 20 0 BHADHN CC(C)[C@H](NCCC(C)(C)F)c1ccccn1 ZINC000866388608 589489467 /nfs/dbraw/zinc/48/94/67/589489467.db2.gz DEQPAMPATAWNIL-ZDUSSCGKSA-N 0 3 238.350 3.507 20 0 BHADHN CCC[C@H](N[C@H]1C=CCC1)c1cc(C)ccn1 ZINC000866390182 589489607 /nfs/dbraw/zinc/48/96/07/589489607.db2.gz ZXFDRPUSZQSAPD-KBPBESRZSA-N 0 3 230.355 3.539 20 0 BHADHN CCC[C@H](N[C@@H]1C=CCC1)c1cc(C)ccn1 ZINC000866390186 589489551 /nfs/dbraw/zinc/48/95/51/589489551.db2.gz ZXFDRPUSZQSAPD-KGLIPLIRSA-N 0 3 230.355 3.539 20 0 BHADHN CCC[C@@H](N[C@H]1C=CCC1)c1cc(C)ccn1 ZINC000866390187 589489697 /nfs/dbraw/zinc/48/96/97/589489697.db2.gz ZXFDRPUSZQSAPD-UONOGXRCSA-N 0 3 230.355 3.539 20 0 BHADHN CCC[C@@H](N[C@@H]1C=CCC1)c1cc(C)ccn1 ZINC000866390188 589489532 /nfs/dbraw/zinc/48/95/32/589489532.db2.gz ZXFDRPUSZQSAPD-ZIAGYGMSSA-N 0 3 230.355 3.539 20 0 BHADHN CCc1noc(C)c1[C@H](C)N[C@H]1CCCC12CC2 ZINC000866410488 589491045 /nfs/dbraw/zinc/49/10/45/589491045.db2.gz KZPMABOGBZMNQA-GWCFXTLKSA-N 0 3 248.370 3.529 20 0 BHADHN CCc1noc(C)c1[C@H](C)N[C@@H]1CCCC12CC2 ZINC000866410489 589491401 /nfs/dbraw/zinc/49/14/01/589491401.db2.gz KZPMABOGBZMNQA-GXFFZTMASA-N 0 3 248.370 3.529 20 0 BHADHN CCc1noc(C)c1[C@@H](C)N[C@H]1CCCC12CC2 ZINC000866410490 589490996 /nfs/dbraw/zinc/49/09/96/589490996.db2.gz KZPMABOGBZMNQA-MFKMUULPSA-N 0 3 248.370 3.529 20 0 BHADHN CCc1noc(C)c1[C@@H](C)N[C@@H]1CCCC12CC2 ZINC000866410491 589491330 /nfs/dbraw/zinc/49/13/30/589491330.db2.gz KZPMABOGBZMNQA-ZWNOBZJWSA-N 0 3 248.370 3.529 20 0 BHADHN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1cccs1 ZINC000866448678 589493502 /nfs/dbraw/zinc/49/35/02/589493502.db2.gz JJJPMXCSYZAGHC-GARJFASQSA-N 0 3 227.348 3.679 20 0 BHADHN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1cccs1 ZINC000866448679 589493496 /nfs/dbraw/zinc/49/34/96/589493496.db2.gz JJJPMXCSYZAGHC-OUAUKWLOSA-N 0 3 227.348 3.679 20 0 BHADHN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccsc1 ZINC000866449706 589493687 /nfs/dbraw/zinc/49/36/87/589493687.db2.gz ZSGFZBXRARDFBC-ADEWGFFLSA-N 0 3 227.348 3.679 20 0 BHADHN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccsc1 ZINC000866449707 589493703 /nfs/dbraw/zinc/49/37/03/589493703.db2.gz ZSGFZBXRARDFBC-ZMLRMANQSA-N 0 3 227.348 3.679 20 0 BHADHN C[C@H](Cc1ccsc1)N[C@@H]1CCCC[C@@H]1F ZINC000866450605 589493891 /nfs/dbraw/zinc/49/38/91/589493891.db2.gz XKGWELPSUJCBMR-KGYLQXTDSA-N 0 3 241.375 3.549 20 0 BHADHN C[C@@H](Cc1ccsc1)N[C@@H]1CCCC[C@@H]1F ZINC000866450606 589493611 /nfs/dbraw/zinc/49/36/11/589493611.db2.gz XKGWELPSUJCBMR-WCFLWFBJSA-N 0 3 241.375 3.549 20 0 BHADHN Cc1cc([C@H](C)N[C@H](C)[C@]23C[C@H]2CCCC3)no1 ZINC000866456530 589494650 /nfs/dbraw/zinc/49/46/50/589494650.db2.gz WYJBHXKSCOINDL-JLNYLFASSA-N 0 3 248.370 3.602 20 0 BHADHN Cc1cc([C@H](C)N[C@H](C)[C@@]23C[C@@H]2CCCC3)no1 ZINC000866456532 589494677 /nfs/dbraw/zinc/49/46/77/589494677.db2.gz WYJBHXKSCOINDL-SFDCQRBFSA-N 0 3 248.370 3.602 20 0 BHADHN Cc1cc([C@@H](C)NCC2CCC3(CC3)CC2)no1 ZINC000866475730 589495300 /nfs/dbraw/zinc/49/53/00/589495300.db2.gz FNGQYOFGSFYDOU-GFCCVEGCSA-N 0 3 248.370 3.604 20 0 BHADHN Cc1cc([C@H](C)NCC2CCC3(CC3)CC2)no1 ZINC000866475731 589495495 /nfs/dbraw/zinc/49/54/95/589495495.db2.gz FNGQYOFGSFYDOU-LBPRGKRZSA-N 0 3 248.370 3.604 20 0 BHADHN C[C@H]([NH2+]C1CCCCC1)c1cccc([O-])c1F ZINC000872016485 589855988 /nfs/dbraw/zinc/85/59/88/589855988.db2.gz JYVLHTVIZBYNRL-JTQLQIEISA-N 0 3 237.318 3.515 20 0 BHADHN C[C@@H]([NH2+]C1CCCCC1)c1cccc([O-])c1F ZINC000872016486 589856248 /nfs/dbraw/zinc/85/62/48/589856248.db2.gz JYVLHTVIZBYNRL-SNVBAGLBSA-N 0 3 237.318 3.515 20 0 BHADHN CC[C@@H](NCc1ccc(F)cn1)C(C)(C)CC ZINC000872044435 589859858 /nfs/dbraw/zinc/85/98/58/589859858.db2.gz USXVGLDEBCVXGD-CYBMUJFWSA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@H](NCc1ccc(F)cn1)C(C)(C)CC ZINC000872044470 589859937 /nfs/dbraw/zinc/85/99/37/589859937.db2.gz USXVGLDEBCVXGD-ZDUSSCGKSA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@@H](NCc1ncccc1F)C(C)(C)CC ZINC000872052242 589861542 /nfs/dbraw/zinc/86/15/42/589861542.db2.gz MOQPZZYOBLSQAL-CYBMUJFWSA-N 0 3 238.350 3.525 20 0 BHADHN CC[C@H](NCc1ncccc1F)C(C)(C)CC ZINC000872052243 589861426 /nfs/dbraw/zinc/86/14/26/589861426.db2.gz MOQPZZYOBLSQAL-ZDUSSCGKSA-N 0 3 238.350 3.525 20 0 BHADHN CC(C)=CCC[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872065881 589863697 /nfs/dbraw/zinc/86/36/97/589863697.db2.gz IBIRLEZFRDYCID-LLVKDONJSA-N 0 3 237.318 3.538 20 0 BHADHN CC(C)=CCC[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872065882 589863531 /nfs/dbraw/zinc/86/35/31/589863531.db2.gz IBIRLEZFRDYCID-NSHDSACASA-N 0 3 237.318 3.538 20 0 BHADHN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)C(C)(C)CC ZINC000872075271 589864779 /nfs/dbraw/zinc/86/47/79/589864779.db2.gz BRDFPMGQZVRHLU-AGIUHOORSA-N 0 3 249.402 3.693 20 0 BHADHN CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)C(C)(C)CC ZINC000872075272 589865151 /nfs/dbraw/zinc/86/51/51/589865151.db2.gz BRDFPMGQZVRHLU-AVGNSLFASA-N 0 3 249.402 3.693 20 0 BHADHN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)C(C)(C)CC ZINC000872075273 589864792 /nfs/dbraw/zinc/86/47/92/589864792.db2.gz BRDFPMGQZVRHLU-UPJWGTAASA-N 0 3 249.402 3.693 20 0 BHADHN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)C(C)(C)CC ZINC000872075274 589864926 /nfs/dbraw/zinc/86/49/26/589864926.db2.gz BRDFPMGQZVRHLU-XQQFMLRXSA-N 0 3 249.402 3.693 20 0 BHADHN CCc1ncc(CN[C@H](CC)C(C)(C)CC)o1 ZINC000872076916 589865809 /nfs/dbraw/zinc/86/58/09/589865809.db2.gz VLILMDIANCLIKX-GFCCVEGCSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1ncc(CN[C@@H](CC)C(C)(C)CC)o1 ZINC000872076917 589865616 /nfs/dbraw/zinc/86/56/16/589865616.db2.gz VLILMDIANCLIKX-LBPRGKRZSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1nc(CN[C@H](CC)C(C)(C)CC)co1 ZINC000872077056 589865681 /nfs/dbraw/zinc/86/56/81/589865681.db2.gz XXAWHJROXNCAMJ-GFCCVEGCSA-N 0 3 238.375 3.541 20 0 BHADHN CCc1nc(CN[C@@H](CC)C(C)(C)CC)co1 ZINC000872077057 589865422 /nfs/dbraw/zinc/86/54/22/589865422.db2.gz XXAWHJROXNCAMJ-LBPRGKRZSA-N 0 3 238.375 3.541 20 0 BHADHN C[C@H]([NH2+]C1(C2CCC2)CC1)c1cccc([O-])c1F ZINC000872083272 589866029 /nfs/dbraw/zinc/86/60/29/589866029.db2.gz JYRKHWABONYJQU-JTQLQIEISA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cccc([O-])c1F ZINC000872083273 589866021 /nfs/dbraw/zinc/86/60/21/589866021.db2.gz JYRKHWABONYJQU-SNVBAGLBSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@H](NC1CC2(CCC2)C1)c1cc(O)ccc1F ZINC000872083388 589867149 /nfs/dbraw/zinc/86/71/49/589867149.db2.gz LQRUKRUMPYMGPL-JTQLQIEISA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H](NC1CC2(CCC2)C1)c1cc(O)ccc1F ZINC000872083389 589867153 /nfs/dbraw/zinc/86/71/53/589867153.db2.gz LQRUKRUMPYMGPL-SNVBAGLBSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@H]([NH2+]C1CC2(CCC2)C1)c1cccc([O-])c1F ZINC000872084153 589867224 /nfs/dbraw/zinc/86/72/24/589867224.db2.gz PRSSGVHAABVMGU-JTQLQIEISA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cccc([O-])c1F ZINC000872084154 589866990 /nfs/dbraw/zinc/86/69/90/589866990.db2.gz PRSSGVHAABVMGU-SNVBAGLBSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@H](NC1(C2CCC2)CC1)c1cc(O)ccc1F ZINC000872084215 589866958 /nfs/dbraw/zinc/86/69/58/589866958.db2.gz QOYRZHDDSNXIML-JTQLQIEISA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H](NC1(C2CCC2)CC1)c1cc(O)ccc1F ZINC000872084218 589866942 /nfs/dbraw/zinc/86/69/42/589866942.db2.gz QOYRZHDDSNXIML-SNVBAGLBSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@H](N[C@H]1CCCC12CC2)c1cc(O)ccc1F ZINC000872090930 589868660 /nfs/dbraw/zinc/86/86/60/589868660.db2.gz FYXJKKQRSGXEBT-HZMBPMFUSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@H](N[C@@H]1CCCC12CC2)c1cc(O)ccc1F ZINC000872090931 589868179 /nfs/dbraw/zinc/86/81/79/589868179.db2.gz FYXJKKQRSGXEBT-IINYFYTJSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H](N[C@@H]1CCCC12CC2)c1cc(O)ccc1F ZINC000872090932 589868280 /nfs/dbraw/zinc/86/82/80/589868280.db2.gz FYXJKKQRSGXEBT-QMTHXVAHSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H](N[C@H]1CCCC12CC2)c1cc(O)ccc1F ZINC000872090933 589868486 /nfs/dbraw/zinc/86/84/86/589868486.db2.gz FYXJKKQRSGXEBT-YGRLFVJLSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@H]([NH2+][C@H]1CCCC12CC2)c1cccc([O-])c1F ZINC000872092388 589868709 /nfs/dbraw/zinc/86/87/09/589868709.db2.gz PCUQQBIJXWGXQC-GWCFXTLKSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@H]([NH2+][C@@H]1CCCC12CC2)c1cccc([O-])c1F ZINC000872092389 589868393 /nfs/dbraw/zinc/86/83/93/589868393.db2.gz PCUQQBIJXWGXQC-GXFFZTMASA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H]([NH2+][C@H]1CCCC12CC2)c1cccc([O-])c1F ZINC000872092390 589868219 /nfs/dbraw/zinc/86/82/19/589868219.db2.gz PCUQQBIJXWGXQC-MFKMUULPSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cccc([O-])c1F ZINC000872092391 589868547 /nfs/dbraw/zinc/86/85/47/589868547.db2.gz PCUQQBIJXWGXQC-ZWNOBZJWSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H](NCCC[C@H]1C=CCC1)c1cscn1 ZINC000872105859 589872487 /nfs/dbraw/zinc/87/24/87/589872487.db2.gz CMSBFEKKAIDENE-NEPJUHHUSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@H](NCCC[C@@H]1C=CCC1)c1cscn1 ZINC000872105860 589872676 /nfs/dbraw/zinc/87/26/76/589872676.db2.gz CMSBFEKKAIDENE-NWDGAFQWSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@H](NCCC[C@H]1C=CCC1)c1cscn1 ZINC000872105861 589872576 /nfs/dbraw/zinc/87/25/76/589872576.db2.gz CMSBFEKKAIDENE-RYUDHWBXSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@@H](NCCC[C@@H]1C=CCC1)c1cscn1 ZINC000872105862 589872841 /nfs/dbraw/zinc/87/28/41/589872841.db2.gz CMSBFEKKAIDENE-VXGBXAGGSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@@H](NCCC[C@@H]1C=CCC1)c1ccc(F)cn1 ZINC000872106572 589872769 /nfs/dbraw/zinc/87/27/69/589872769.db2.gz GWZHKFHLEBLDBK-CHWSQXEVSA-N 0 3 248.345 3.618 20 0 BHADHN C[C@@H](NCCC[C@H]1C=CCC1)c1ccc(F)cn1 ZINC000872106573 589872525 /nfs/dbraw/zinc/87/25/25/589872525.db2.gz GWZHKFHLEBLDBK-OLZOCXBDSA-N 0 3 248.345 3.618 20 0 BHADHN C[C@H](NCCC[C@@H]1C=CCC1)c1ccc(F)cn1 ZINC000872106574 589872732 /nfs/dbraw/zinc/87/27/32/589872732.db2.gz GWZHKFHLEBLDBK-QWHCGFSZSA-N 0 3 248.345 3.618 20 0 BHADHN C[C@H](NCCC[C@H]1C=CCC1)c1ccc(F)cn1 ZINC000872106575 589872583 /nfs/dbraw/zinc/87/25/83/589872583.db2.gz GWZHKFHLEBLDBK-STQMWFEESA-N 0 3 248.345 3.618 20 0 BHADHN C[C@@H](NCCC[C@H]1C=CCC1)c1nccs1 ZINC000872108456 589873678 /nfs/dbraw/zinc/87/36/78/589873678.db2.gz UVADDCQEXVAHQD-NEPJUHHUSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@H](NCCC[C@@H]1C=CCC1)c1nccs1 ZINC000872108457 589873215 /nfs/dbraw/zinc/87/32/15/589873215.db2.gz UVADDCQEXVAHQD-NWDGAFQWSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@H](NCCC[C@H]1C=CCC1)c1nccs1 ZINC000872108458 589873480 /nfs/dbraw/zinc/87/34/80/589873480.db2.gz UVADDCQEXVAHQD-RYUDHWBXSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@@H](NCCC[C@@H]1C=CCC1)c1nccs1 ZINC000872108459 589873356 /nfs/dbraw/zinc/87/33/56/589873356.db2.gz UVADDCQEXVAHQD-VXGBXAGGSA-N 0 3 236.384 3.540 20 0 BHADHN CCCC[C@H](C)[C@H](C)N[C@@H](C)c1nccnc1C ZINC000872131920 589877381 /nfs/dbraw/zinc/87/73/81/589877381.db2.gz AVCCIDYUALTANI-OBJOEFQTSA-N 0 3 249.402 3.650 20 0 BHADHN CCCC[C@H](C)[C@@H](C)N[C@H](C)c1nccnc1C ZINC000872131922 589877697 /nfs/dbraw/zinc/87/76/97/589877697.db2.gz AVCCIDYUALTANI-OUCADQQQSA-N 0 3 249.402 3.650 20 0 BHADHN CCCC[C@H](C)[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000872131923 589877811 /nfs/dbraw/zinc/87/78/11/589877811.db2.gz AVCCIDYUALTANI-SCRDCRAPSA-N 0 3 249.402 3.650 20 0 BHADHN CCCC[C@H](C)[C@H](C)N[C@H](C)c1nccnc1C ZINC000872131925 589877446 /nfs/dbraw/zinc/87/74/46/589877446.db2.gz AVCCIDYUALTANI-SGMGOOAPSA-N 0 3 249.402 3.650 20 0 BHADHN CC[C@H](C[C@@H](C)CC)N[C@@H](C)c1nccnc1C ZINC000872135121 589878483 /nfs/dbraw/zinc/87/84/83/589878483.db2.gz VMKMNIPEJSGKEO-FPMFFAJLSA-N 0 3 249.402 3.650 20 0 BHADHN CC[C@H](C[C@@H](C)CC)N[C@H](C)c1nccnc1C ZINC000872135122 589878606 /nfs/dbraw/zinc/87/86/06/589878606.db2.gz VMKMNIPEJSGKEO-IACUBPJLSA-N 0 3 249.402 3.650 20 0 BHADHN CC[C@H](C)C[C@H](CC)N[C@@H](C)c1nccnc1C ZINC000872135123 589878447 /nfs/dbraw/zinc/87/84/47/589878447.db2.gz VMKMNIPEJSGKEO-UBHSHLNASA-N 0 3 249.402 3.650 20 0 BHADHN CC[C@H](C)C[C@H](CC)N[C@H](C)c1nccnc1C ZINC000872135124 589878613 /nfs/dbraw/zinc/87/86/13/589878613.db2.gz VMKMNIPEJSGKEO-YUTCNCBUSA-N 0 3 249.402 3.650 20 0 BHADHN CC(C)(C)c1ccc(CNCc2cc[nH]c2)s1 ZINC000873153886 589986721 /nfs/dbraw/zinc/98/67/21/589986721.db2.gz KMIBFJMCUVUNJJ-UHFFFAOYSA-N 0 3 248.395 3.664 20 0 BHADHN Cc1scc(CNC2(C)CC(F)(F)C2)c1C ZINC000873197540 589992231 /nfs/dbraw/zinc/99/22/31/589992231.db2.gz FOGWVUQZMQIXST-UHFFFAOYSA-N 0 3 245.338 3.642 20 0 BHADHN CCc1cccc(CNC2(C)CC(F)(F)C2)c1 ZINC000873197794 589991812 /nfs/dbraw/zinc/99/18/12/589991812.db2.gz SPSIHGNFHGYOLB-UHFFFAOYSA-N 0 3 239.309 3.526 20 0 BHADHN CSC(C)(C)CCN(C)[C@H](C)c1ccco1 ZINC000876573330 590217587 /nfs/dbraw/zinc/21/75/87/590217587.db2.gz ZFGJXCSWLCFYKG-LLVKDONJSA-N 0 3 241.400 3.804 20 0 BHADHN CSC(C)(C)CCN(C)[C@@H](C)c1ccco1 ZINC000876573331 590217578 /nfs/dbraw/zinc/21/75/78/590217578.db2.gz ZFGJXCSWLCFYKG-NSHDSACASA-N 0 3 241.400 3.804 20 0 BHADHN Cc1cc([C@@H]2CCCN2CC2(C)CCCC2)no1 ZINC000876591568 584886084 /nfs/dbraw/zinc/88/60/84/584886084.db2.gz KVCLLKCVZFPFLW-AWEZNQCLSA-N 0 3 248.370 3.700 20 0 BHADHN Cc1cc([C@H]2CCCN2CC2(C)CCCC2)no1 ZINC000876591569 584886117 /nfs/dbraw/zinc/88/61/17/584886117.db2.gz KVCLLKCVZFPFLW-CQSZACIVSA-N 0 3 248.370 3.700 20 0 BHADHN Cc1cc([C@@H]2CCCN2CC2(C(C)C)CC2)no1 ZINC000876591570 584886198 /nfs/dbraw/zinc/88/61/98/584886198.db2.gz LARGMBZYGYMXGL-AWEZNQCLSA-N 0 3 248.370 3.556 20 0 BHADHN Cc1cc([C@H]2CCCN2CC2(C(C)C)CC2)no1 ZINC000876591571 584886346 /nfs/dbraw/zinc/88/63/46/584886346.db2.gz LARGMBZYGYMXGL-CQSZACIVSA-N 0 3 248.370 3.556 20 0 BHADHN CC1(CN2CCCC[C@@H]2c2ncc[nH]2)CCCC1 ZINC000876656094 590226614 /nfs/dbraw/zinc/22/66/14/590226614.db2.gz DSMJBUREODEZJT-CYBMUJFWSA-N 0 3 247.386 3.517 20 0 BHADHN CC1(CN2CCCC[C@H]2c2ncc[nH]2)CCCC1 ZINC000876656095 590226531 /nfs/dbraw/zinc/22/65/31/590226531.db2.gz DSMJBUREODEZJT-ZDUSSCGKSA-N 0 3 247.386 3.517 20 0 BHADHN CSC(C)(C)CCN1Cc2ccccc2C1 ZINC000876696192 590231596 /nfs/dbraw/zinc/23/15/96/590231596.db2.gz PSVIDORXDMPRBT-UHFFFAOYSA-N 0 3 235.396 3.534 20 0 BHADHN c1c(CNC2CCCCCCC2)onc1C1CC1 ZINC000876886055 584887898 /nfs/dbraw/zinc/88/78/98/584887898.db2.gz RKNBTVVNVGVHLX-UHFFFAOYSA-N 0 3 248.370 3.755 20 0 BHADHN CC(C)CC[C@@H](C)NCc1nc(Cl)cs1 ZINC000876887255 590252743 /nfs/dbraw/zinc/25/27/43/590252743.db2.gz QAIHQBXLDVSXRD-SECBINFHSA-N 0 3 246.807 3.711 20 0 BHADHN CC(C)CC[C@H](C)NCc1nc(Cl)cs1 ZINC000876887256 590253147 /nfs/dbraw/zinc/25/31/47/590253147.db2.gz QAIHQBXLDVSXRD-VIFPVBQESA-N 0 3 246.807 3.711 20 0 BHADHN CC1(NCc2nc(Cl)cs2)CCCCC1 ZINC000876899035 590255416 /nfs/dbraw/zinc/25/54/16/590255416.db2.gz SDBQVPHZSOSJKS-UHFFFAOYSA-N 0 3 244.791 3.609 20 0 BHADHN Clc1csc(CNC2CCCCCC2)n1 ZINC000876905071 590255777 /nfs/dbraw/zinc/25/57/77/590255777.db2.gz PGBVNIDTZGCCRA-UHFFFAOYSA-N 0 3 244.791 3.609 20 0 BHADHN CCCCC[C@@H](C)NCc1cc(C2CC2)no1 ZINC000876906010 590255896 /nfs/dbraw/zinc/25/58/96/590255896.db2.gz OFENASXKHZYLSR-LLVKDONJSA-N 0 3 236.359 3.610 20 0 BHADHN CCCCC[C@H](C)NCc1cc(C2CC2)no1 ZINC000876906011 590255871 /nfs/dbraw/zinc/25/58/71/590255871.db2.gz OFENASXKHZYLSR-NSHDSACASA-N 0 3 236.359 3.610 20 0 BHADHN C[C@H](CNCc1nc(Cl)cs1)C(C)(C)C ZINC000877040980 590273363 /nfs/dbraw/zinc/27/33/63/590273363.db2.gz AFLJSCXCDBSQJW-MRVPVSSYSA-N 0 3 246.807 3.568 20 0 BHADHN C[C@@H](CNCc1nc(Cl)cs1)C(C)(C)C ZINC000877040981 590273722 /nfs/dbraw/zinc/27/37/22/590273722.db2.gz AFLJSCXCDBSQJW-QMMMGPOBSA-N 0 3 246.807 3.568 20 0 BHADHN CCC(CC)(CC)NCc1nc(Cl)cs1 ZINC000877043325 590274001 /nfs/dbraw/zinc/27/40/01/590274001.db2.gz GBMXEAOEUDXUCQ-UHFFFAOYSA-N 0 3 246.807 3.855 20 0 BHADHN CC[C@](C)(NCc1ccns1)c1ccccc1 ZINC000877045509 590273760 /nfs/dbraw/zinc/27/37/60/590273760.db2.gz AZFUPQAFXZWBGY-AWEZNQCLSA-N 0 3 246.379 3.558 20 0 BHADHN CC[C@@](C)(NCc1ccns1)c1ccccc1 ZINC000877045515 590274185 /nfs/dbraw/zinc/27/41/85/590274185.db2.gz AZFUPQAFXZWBGY-CQSZACIVSA-N 0 3 246.379 3.558 20 0 BHADHN CC[C@@H](C)C[C@H](C)NCc1nc(Cl)cs1 ZINC000877068500 590277117 /nfs/dbraw/zinc/27/71/17/590277117.db2.gz XWJLPYLZAQSJNK-BDAKNGLRSA-N 0 3 246.807 3.711 20 0 BHADHN CC[C@H](C)C[C@@H](C)NCc1nc(Cl)cs1 ZINC000877068501 590277140 /nfs/dbraw/zinc/27/71/40/590277140.db2.gz XWJLPYLZAQSJNK-DTWKUNHWSA-N 0 3 246.807 3.711 20 0 BHADHN CC[C@H](C)C[C@H](C)NCc1nc(Cl)cs1 ZINC000877068502 590277278 /nfs/dbraw/zinc/27/72/78/590277278.db2.gz XWJLPYLZAQSJNK-IUCAKERBSA-N 0 3 246.807 3.711 20 0 BHADHN CC[C@@H](C)C[C@@H](C)NCc1nc(Cl)cs1 ZINC000877068503 590277211 /nfs/dbraw/zinc/27/72/11/590277211.db2.gz XWJLPYLZAQSJNK-RKDXNWHRSA-N 0 3 246.807 3.711 20 0 BHADHN CC(C)C(NCc1nc(Cl)cs1)C(C)C ZINC000877098305 590282378 /nfs/dbraw/zinc/28/23/78/590282378.db2.gz ORSGQCZIRMGYSX-UHFFFAOYSA-N 0 3 246.807 3.567 20 0 BHADHN CC(C)C(C)(C)CNCc1nc(Cl)cs1 ZINC000877462949 590332475 /nfs/dbraw/zinc/33/24/75/590332475.db2.gz XBQGKJNGTGSRJT-UHFFFAOYSA-N 0 3 246.807 3.568 20 0 BHADHN Cc1scc(CN2CCC(F)(F)CC2)c1C ZINC000877492753 590340441 /nfs/dbraw/zinc/34/04/41/590340441.db2.gz RMOMMFLCRJQMNQ-UHFFFAOYSA-N 0 3 245.338 3.596 20 0 BHADHN CC(C)(C)C(C)(C)NCc1nc(Cl)cs1 ZINC000877548764 590354638 /nfs/dbraw/zinc/35/46/38/590354638.db2.gz ARQAEUWCINXJSJ-UHFFFAOYSA-N 0 3 246.807 3.711 20 0 BHADHN CCC1(NCc2nc(Cl)cs2)CCCC1 ZINC000877562617 590359449 /nfs/dbraw/zinc/35/94/49/590359449.db2.gz XTYJRSDLXBICJK-UHFFFAOYSA-N 0 3 244.791 3.609 20 0 BHADHN C[C@H](CC(C)(C)C)NCc1nc(Cl)cs1 ZINC000877577207 590363941 /nfs/dbraw/zinc/36/39/41/590363941.db2.gz BVWQAWONUKCWIM-MRVPVSSYSA-N 0 3 246.807 3.711 20 0 BHADHN C[C@@H](CC(C)(C)C)NCc1nc(Cl)cs1 ZINC000877577208 590363970 /nfs/dbraw/zinc/36/39/70/590363970.db2.gz BVWQAWONUKCWIM-QMMMGPOBSA-N 0 3 246.807 3.711 20 0 BHADHN CCC(C)(C)[C@@H](C)NCc1nc(Cl)cs1 ZINC000877623290 590377126 /nfs/dbraw/zinc/37/71/26/590377126.db2.gz KYBFSGZPNVIISS-MRVPVSSYSA-N 0 3 246.807 3.711 20 0 BHADHN CCC(C)(C)[C@H](C)NCc1nc(Cl)cs1 ZINC000877623291 590377242 /nfs/dbraw/zinc/37/72/42/590377242.db2.gz KYBFSGZPNVIISS-QMMMGPOBSA-N 0 3 246.807 3.711 20 0 BHADHN C[C@H](CC1CCCC1)NCc1cc(C2CC2)no1 ZINC000877674397 590390565 /nfs/dbraw/zinc/39/05/65/590390565.db2.gz VGMUXNYRUYAGGL-LLVKDONJSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@@H](CC1CCCC1)NCc1cc(C2CC2)no1 ZINC000877674398 590390576 /nfs/dbraw/zinc/39/05/76/590390576.db2.gz VGMUXNYRUYAGGL-NSHDSACASA-N 0 3 248.370 3.610 20 0 BHADHN C[C@]1(C(F)(F)F)CCN(Cc2ccsc2)C1 ZINC000877813633 590426975 /nfs/dbraw/zinc/42/69/75/590426975.db2.gz IRDKQELJVLDAOY-JTQLQIEISA-N 0 3 249.301 3.522 20 0 BHADHN C[C@@]1(C(F)(F)F)CCN(Cc2ccsc2)C1 ZINC000877813635 590427043 /nfs/dbraw/zinc/42/70/43/590427043.db2.gz IRDKQELJVLDAOY-SNVBAGLBSA-N 0 3 249.301 3.522 20 0 BHADHN C[C@]1(C(F)(F)F)CCN(Cc2cccs2)C1 ZINC000877814567 590427517 /nfs/dbraw/zinc/42/75/17/590427517.db2.gz UEJVCNKARNAJGF-JTQLQIEISA-N 0 3 249.301 3.522 20 0 BHADHN C[C@@]1(C(F)(F)F)CCN(Cc2cccs2)C1 ZINC000877814568 590427139 /nfs/dbraw/zinc/42/71/39/590427139.db2.gz UEJVCNKARNAJGF-SNVBAGLBSA-N 0 3 249.301 3.522 20 0 BHADHN CN(CC[C@H]1CCCC1(F)F)Cc1ccco1 ZINC000877906579 590444281 /nfs/dbraw/zinc/44/42/81/590444281.db2.gz SPOFLFRZKZBPLL-LLVKDONJSA-N 0 3 243.297 3.537 20 0 BHADHN CN(CC[C@@H]1CCCC1(F)F)Cc1ccco1 ZINC000877906580 590444340 /nfs/dbraw/zinc/44/43/40/590444340.db2.gz SPOFLFRZKZBPLL-NSHDSACASA-N 0 3 243.297 3.537 20 0 BHADHN C[C@H](C1CC1)N(C)Cc1cc(C(F)(F)F)co1 ZINC000877929210 590447370 /nfs/dbraw/zinc/44/73/70/590447370.db2.gz AQYMGARESORISZ-MRVPVSSYSA-N 0 3 247.260 3.529 20 0 BHADHN C[C@@H](C1CC1)N(C)Cc1cc(C(F)(F)F)co1 ZINC000877929211 590447903 /nfs/dbraw/zinc/44/79/03/590447903.db2.gz AQYMGARESORISZ-QMMMGPOBSA-N 0 3 247.260 3.529 20 0 BHADHN CC(C)N(Cc1cc(C(F)(F)F)co1)C1CC1 ZINC000877964628 590460448 /nfs/dbraw/zinc/46/04/48/590460448.db2.gz IWMIMYSUJGMOKI-UHFFFAOYSA-N 0 3 247.260 3.671 20 0 BHADHN Cc1conc1CN1CCC[C@H]1C1CCCCC1 ZINC000877975566 590464501 /nfs/dbraw/zinc/46/45/01/590464501.db2.gz KYRCTNPCZKAUIR-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1conc1CN1CCC[C@@H]1C1CCCCC1 ZINC000877975567 590464201 /nfs/dbraw/zinc/46/42/01/590464201.db2.gz KYRCTNPCZKAUIR-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN CCN(Cc1cc(C(F)(F)F)co1)C(C)C ZINC000877984066 590466181 /nfs/dbraw/zinc/46/61/81/590466181.db2.gz XYAZPIYHNSIIKY-UHFFFAOYSA-N 0 3 235.249 3.529 20 0 BHADHN CN(CC[C@H]1CCCC1(F)F)Cc1ccoc1 ZINC000877988898 590466976 /nfs/dbraw/zinc/46/69/76/590466976.db2.gz PRPCSNBOUJBRHT-GFCCVEGCSA-N 0 3 243.297 3.537 20 0 BHADHN CN(CC[C@@H]1CCCC1(F)F)Cc1ccoc1 ZINC000877988899 590466865 /nfs/dbraw/zinc/46/68/65/590466865.db2.gz PRPCSNBOUJBRHT-LBPRGKRZSA-N 0 3 243.297 3.537 20 0 BHADHN Cc1conc1CN(CC1CC1)C1CCCCC1 ZINC000878046273 590480291 /nfs/dbraw/zinc/48/02/91/590480291.db2.gz VGYPSFOYEHJNCS-UHFFFAOYSA-N 0 3 248.370 3.528 20 0 BHADHN CCN(Cc1cc(C(F)(F)F)co1)C1CCC1 ZINC000878116417 590497776 /nfs/dbraw/zinc/49/77/76/590497776.db2.gz OBFHMDMUXHYEGV-UHFFFAOYSA-N 0 3 247.260 3.673 20 0 BHADHN CCCCC[C@@H]1CCCN1Cc1nocc1C ZINC000878200608 583366892 /nfs/dbraw/zinc/36/68/92/583366892.db2.gz SJYAFFWKCOEJFT-CYBMUJFWSA-N 0 3 236.359 3.528 20 0 BHADHN CCCCC[C@H]1CCCN1Cc1nocc1C ZINC000878200609 583367618 /nfs/dbraw/zinc/36/76/18/583367618.db2.gz SJYAFFWKCOEJFT-ZDUSSCGKSA-N 0 3 236.359 3.528 20 0 BHADHN Cc1conc1CN(C(C)C)C1CCCCC1 ZINC000878229982 590527569 /nfs/dbraw/zinc/52/75/69/590527569.db2.gz BZJMDCSUYYFPEC-UHFFFAOYSA-N 0 3 236.359 3.526 20 0 BHADHN CC[C@@](C)(NCCCC1CC1)c1nccs1 ZINC000878255509 590529900 /nfs/dbraw/zinc/52/99/00/590529900.db2.gz QSACULCXWRFLTB-CYBMUJFWSA-N 0 3 238.400 3.548 20 0 BHADHN CC[C@](C)(NCCCC1CC1)c1nccs1 ZINC000878255510 590529328 /nfs/dbraw/zinc/52/93/28/590529328.db2.gz QSACULCXWRFLTB-ZDUSSCGKSA-N 0 3 238.400 3.548 20 0 BHADHN C=C/C=C\CCNC1(c2nccs2)CCCC1 ZINC000878261123 590530554 /nfs/dbraw/zinc/53/05/54/590530554.db2.gz GRZZHUGJGJLLHZ-ARJAWSKDSA-N 0 3 248.395 3.634 20 0 BHADHN C=C/C=C/CCNC1(c2nccs2)CCCC1 ZINC000878261125 590530858 /nfs/dbraw/zinc/53/08/58/590530858.db2.gz GRZZHUGJGJLLHZ-ONEGZZNKSA-N 0 3 248.395 3.634 20 0 BHADHN C[C@H](c1ccccn1)N(C)CC1CC2(CCC2)C1 ZINC000878313973 590541068 /nfs/dbraw/zinc/54/10/68/590541068.db2.gz OKAQJWIYLUKEQI-CYBMUJFWSA-N 0 3 244.382 3.655 20 0 BHADHN C[C@@H](c1ccccn1)N(C)CC1CC2(CCC2)C1 ZINC000878313974 590540507 /nfs/dbraw/zinc/54/05/07/590540507.db2.gz OKAQJWIYLUKEQI-ZDUSSCGKSA-N 0 3 244.382 3.655 20 0 BHADHN Cc1ccc(CN(C(C)C)C(C)C)nc1Cl ZINC000878341142 590552419 /nfs/dbraw/zinc/55/24/19/590552419.db2.gz XXXITOHQNQVBFJ-UHFFFAOYSA-N 0 3 240.778 3.662 20 0 BHADHN Cc1noc(C)c1[C@H](C)NCC1CC2(CCC2)C1 ZINC000878365564 590554940 /nfs/dbraw/zinc/55/49/40/590554940.db2.gz YKPKMDOUQZLNAS-JTQLQIEISA-N 0 3 248.370 3.522 20 0 BHADHN Cc1noc(C)c1[C@@H](C)NCC1CC2(CCC2)C1 ZINC000878365565 590554621 /nfs/dbraw/zinc/55/46/21/590554621.db2.gz YKPKMDOUQZLNAS-SNVBAGLBSA-N 0 3 248.370 3.522 20 0 BHADHN CC(C)C(NCc1scnc1Cl)C(C)C ZINC000878378130 590556892 /nfs/dbraw/zinc/55/68/92/590556892.db2.gz KJHNBQLWAWEKQV-UHFFFAOYSA-N 0 3 246.807 3.567 20 0 BHADHN C=C/C=C\CCN[C@@H](c1nc(C)cs1)C1CC1 ZINC000878379495 590557096 /nfs/dbraw/zinc/55/70/96/590557096.db2.gz UTPCFEUYALXMNN-DSYXLKISSA-N 0 3 248.395 3.625 20 0 BHADHN C=C/C=C/CCN[C@H](c1nc(C)cs1)C1CC1 ZINC000878379496 590556783 /nfs/dbraw/zinc/55/67/83/590556783.db2.gz UTPCFEUYALXMNN-IHVVCDCBSA-N 0 3 248.395 3.625 20 0 BHADHN C=C/C=C/CCN[C@@H](c1nc(C)cs1)C1CC1 ZINC000878379497 590556560 /nfs/dbraw/zinc/55/65/60/590556560.db2.gz UTPCFEUYALXMNN-MUBLQREKSA-N 0 3 248.395 3.625 20 0 BHADHN C=C/C=C\CCN[C@H](c1nc(C)cs1)C1CC1 ZINC000878379498 590556570 /nfs/dbraw/zinc/55/65/70/590556570.db2.gz UTPCFEUYALXMNN-ZFDPJTLLSA-N 0 3 248.395 3.625 20 0 BHADHN C=C/C=C\CCN[C@@H](CC)c1nc(C)cs1 ZINC000878408335 590561378 /nfs/dbraw/zinc/56/13/78/590561378.db2.gz RCSZGTXMBDXOEY-DGMVEKRQSA-N 0 3 236.384 3.625 20 0 BHADHN C=C/C=C/CCN[C@H](CC)c1nc(C)cs1 ZINC000878408336 590561290 /nfs/dbraw/zinc/56/12/90/590561290.db2.gz RCSZGTXMBDXOEY-NNNHXZLVSA-N 0 3 236.384 3.625 20 0 BHADHN C=C/C=C/CCN[C@@H](CC)c1nc(C)cs1 ZINC000878408337 590561825 /nfs/dbraw/zinc/56/18/25/590561825.db2.gz RCSZGTXMBDXOEY-SYTKJHMZSA-N 0 3 236.384 3.625 20 0 BHADHN C=C/C=C\CCN[C@H](CC)c1nc(C)cs1 ZINC000878408338 590561355 /nfs/dbraw/zinc/56/13/55/590561355.db2.gz RCSZGTXMBDXOEY-ZHRWSRJISA-N 0 3 236.384 3.625 20 0 BHADHN CC[C@@H](NCCCC1CC1)c1nc(C)cs1 ZINC000878409040 590562038 /nfs/dbraw/zinc/56/20/38/590562038.db2.gz XZBYIXGBIICYSV-GFCCVEGCSA-N 0 3 238.400 3.682 20 0 BHADHN CC[C@H](NCCCC1CC1)c1nc(C)cs1 ZINC000878409042 590562022 /nfs/dbraw/zinc/56/20/22/590562022.db2.gz XZBYIXGBIICYSV-LBPRGKRZSA-N 0 3 238.400 3.682 20 0 BHADHN C[C@@H](NCC[C@H]1CCCC1(F)F)c1ccco1 ZINC000878415473 590563010 /nfs/dbraw/zinc/56/30/10/590563010.db2.gz UPSUEUUVESFSSI-GHMZBOCLSA-N 0 3 243.297 3.756 20 0 BHADHN C[C@@H](NCC[C@@H]1CCCC1(F)F)c1ccco1 ZINC000878415475 590563131 /nfs/dbraw/zinc/56/31/31/590563131.db2.gz UPSUEUUVESFSSI-MNOVXSKESA-N 0 3 243.297 3.756 20 0 BHADHN C[C@H](NCC[C@@H]1CCCC1(F)F)c1ccco1 ZINC000878415478 590562880 /nfs/dbraw/zinc/56/28/80/590562880.db2.gz UPSUEUUVESFSSI-QWRGUYRKSA-N 0 3 243.297 3.756 20 0 BHADHN C[C@H](NCC[C@H]1CCCC1(F)F)c1ccco1 ZINC000878415479 590562907 /nfs/dbraw/zinc/56/29/07/590562907.db2.gz UPSUEUUVESFSSI-WDEREUQCSA-N 0 3 243.297 3.756 20 0 BHADHN CC[C@@H](NCCCC1CC1)c1c(C)noc1C ZINC000878415545 590562644 /nfs/dbraw/zinc/56/26/44/590562644.db2.gz XZAWKQKPRASWKW-CYBMUJFWSA-N 0 3 236.359 3.522 20 0 BHADHN CC[C@H](NCCCC1CC1)c1c(C)noc1C ZINC000878415546 590562658 /nfs/dbraw/zinc/56/26/58/590562658.db2.gz XZAWKQKPRASWKW-ZDUSSCGKSA-N 0 3 236.359 3.522 20 0 BHADHN C=C/C=C\CCNC1(c2nc(C)cs2)CCC1 ZINC000878418023 590563318 /nfs/dbraw/zinc/56/33/18/590563318.db2.gz UJMBJJVZAMDFAC-PLNGDYQASA-N 0 3 248.395 3.553 20 0 BHADHN C=C/C=C/CCNC1(c2nc(C)cs2)CCC1 ZINC000878418024 590563395 /nfs/dbraw/zinc/56/33/95/590563395.db2.gz UJMBJJVZAMDFAC-SNAWJCMRSA-N 0 3 248.395 3.553 20 0 BHADHN CCc1nc([C@H](C)NCCCC2CC2)cs1 ZINC000878418253 590563460 /nfs/dbraw/zinc/56/34/60/590563460.db2.gz KEHIMLPBVRJWSO-JTQLQIEISA-N 0 3 238.400 3.546 20 0 BHADHN CCc1nc([C@@H](C)NCCCC2CC2)cs1 ZINC000878418254 590563518 /nfs/dbraw/zinc/56/35/18/590563518.db2.gz KEHIMLPBVRJWSO-SNVBAGLBSA-N 0 3 238.400 3.546 20 0 BHADHN CN(Cc1cc(C(F)(F)F)co1)C(C)(C)C ZINC000878768291 590620089 /nfs/dbraw/zinc/62/00/89/590620089.db2.gz FHPCTOQAUHHMGR-UHFFFAOYSA-N 0 3 235.249 3.529 20 0 BHADHN Cc1ccc(CN[C@H](C)C(C)(C)C)nc1Cl ZINC000878810573 590626218 /nfs/dbraw/zinc/62/62/18/590626218.db2.gz BIJCBEKUKQLUNB-SNVBAGLBSA-N 0 3 240.778 3.568 20 0 BHADHN Cc1conc1CN1CCC[C@H]1CC1CCCC1 ZINC000878849024 590632941 /nfs/dbraw/zinc/63/29/41/590632941.db2.gz DGVRFYFIEZPEFH-AWEZNQCLSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1conc1CN1CCC[C@@H]1CC1CCCC1 ZINC000878849025 590632876 /nfs/dbraw/zinc/63/28/76/590632876.db2.gz DGVRFYFIEZPEFH-CQSZACIVSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1conc1CN1CCCC2(CCCC2)CC1 ZINC000878887331 590640845 /nfs/dbraw/zinc/64/08/45/590640845.db2.gz FKCAYUIVFKHSMD-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN C[C@@H](CN[C@H](C)c1cscn1)CC(C)(C)C ZINC000878915342 590649823 /nfs/dbraw/zinc/64/98/23/590649823.db2.gz JMCVHIHKBKUOJV-GHMZBOCLSA-N 0 3 240.416 3.866 20 0 BHADHN C[C@@H](CN[C@@H](C)c1cscn1)CC(C)(C)C ZINC000878915343 590649738 /nfs/dbraw/zinc/64/97/38/590649738.db2.gz JMCVHIHKBKUOJV-MNOVXSKESA-N 0 3 240.416 3.866 20 0 BHADHN C[C@H](CN[C@@H](C)c1cscn1)CC(C)(C)C ZINC000878915344 590650585 /nfs/dbraw/zinc/65/05/85/590650585.db2.gz JMCVHIHKBKUOJV-QWRGUYRKSA-N 0 3 240.416 3.866 20 0 BHADHN C[C@@H](NC[C@@H](C)CC(C)(C)C)c1cscn1 ZINC000878915345 590650393 /nfs/dbraw/zinc/65/03/93/590650393.db2.gz JMCVHIHKBKUOJV-WDEREUQCSA-N 0 3 240.416 3.866 20 0 BHADHN CC[C@@H](NCc1cc(C(F)(F)F)co1)C1CC1 ZINC000878949762 590659022 /nfs/dbraw/zinc/65/90/22/590659022.db2.gz JTCGOWYESCHILH-LLVKDONJSA-N 0 3 247.260 3.577 20 0 BHADHN CC[C@H](NCc1cc(C(F)(F)F)co1)C1CC1 ZINC000878949764 590657866 /nfs/dbraw/zinc/65/78/66/590657866.db2.gz JTCGOWYESCHILH-NSHDSACASA-N 0 3 247.260 3.577 20 0 BHADHN Cc1conc1CN1CCCC[C@H]1CC1CCC1 ZINC000878996005 590673208 /nfs/dbraw/zinc/67/32/08/590673208.db2.gz XJAOQHXQRUNXLN-AWEZNQCLSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1conc1CN1CCCC[C@@H]1CC1CCC1 ZINC000878996006 590673014 /nfs/dbraw/zinc/67/30/14/590673014.db2.gz XJAOQHXQRUNXLN-CQSZACIVSA-N 0 3 248.370 3.528 20 0 BHADHN C=C/C=C\CCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000879009603 590676731 /nfs/dbraw/zinc/67/67/31/590676731.db2.gz BFCUTMRSKWBVFU-IYKSTZQJSA-N 0 3 242.366 3.597 20 0 BHADHN C=C/C=C/CCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000879009604 590676420 /nfs/dbraw/zinc/67/64/20/590676420.db2.gz BFCUTMRSKWBVFU-LLYBFZRZSA-N 0 3 242.366 3.597 20 0 BHADHN C=C/C=C/CCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000879009605 590677466 /nfs/dbraw/zinc/67/74/66/590677466.db2.gz BFCUTMRSKWBVFU-NFAHFFEMSA-N 0 3 242.366 3.597 20 0 BHADHN C=C/C=C\CCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000879009606 590677241 /nfs/dbraw/zinc/67/72/41/590677241.db2.gz BFCUTMRSKWBVFU-YVACAVLKSA-N 0 3 242.366 3.597 20 0 BHADHN C=C/C=C\CCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000879010069 590676748 /nfs/dbraw/zinc/67/67/48/590676748.db2.gz PEEFNNVKHIUROM-IYKSTZQJSA-N 0 3 242.366 3.597 20 0 BHADHN C=C/C=C/CCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000879010070 590676972 /nfs/dbraw/zinc/67/69/72/590676972.db2.gz PEEFNNVKHIUROM-LLYBFZRZSA-N 0 3 242.366 3.597 20 0 BHADHN C=C/C=C/CCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000879010071 590677046 /nfs/dbraw/zinc/67/70/46/590677046.db2.gz PEEFNNVKHIUROM-NFAHFFEMSA-N 0 3 242.366 3.597 20 0 BHADHN C=C/C=C\CCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000879010072 590676366 /nfs/dbraw/zinc/67/63/66/590676366.db2.gz PEEFNNVKHIUROM-YVACAVLKSA-N 0 3 242.366 3.597 20 0 BHADHN Cc1cncc([C@@H]2CCCN2[C@@H]2C=CCCC2)c1 ZINC000879747202 590861514 /nfs/dbraw/zinc/86/15/14/590861514.db2.gz KITZEUUFTRLYSU-CVEARBPZSA-N 0 3 242.366 3.636 20 0 BHADHN Cc1cncc([C@@H]2CCCN2[C@H]2C=CCCC2)c1 ZINC000879747203 590860993 /nfs/dbraw/zinc/86/09/93/590860993.db2.gz KITZEUUFTRLYSU-HOTGVXAUSA-N 0 3 242.366 3.636 20 0 BHADHN Cc1cncc([C@H]2CCCN2[C@@H]2C=CCCC2)c1 ZINC000879747204 590861409 /nfs/dbraw/zinc/86/14/09/590861409.db2.gz KITZEUUFTRLYSU-HZPDHXFCSA-N 0 3 242.366 3.636 20 0 BHADHN Cc1cncc([C@H]2CCCN2[C@H]2C=CCCC2)c1 ZINC000879747205 590861143 /nfs/dbraw/zinc/86/11/43/590861143.db2.gz KITZEUUFTRLYSU-JKSUJKDBSA-N 0 3 242.366 3.636 20 0 BHADHN Cc1cncc([C@@H]2CCCN2CC2=CCCC2)c1 ZINC000879752874 590864943 /nfs/dbraw/zinc/86/49/43/590864943.db2.gz VIUWAPVZBWVERY-INIZCTEOSA-N 0 3 242.366 3.637 20 0 BHADHN Cc1cncc([C@H]2CCCN2CC2=CCCC2)c1 ZINC000879752875 590864469 /nfs/dbraw/zinc/86/44/69/590864469.db2.gz VIUWAPVZBWVERY-MRXNPFEDSA-N 0 3 242.366 3.637 20 0 BHADHN Cc1oncc1CN1CC[C@@]1(C)C1CCCCC1 ZINC000879789476 590870264 /nfs/dbraw/zinc/87/02/64/590870264.db2.gz APRWQBAASOPXIS-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1oncc1CN1CC[C@]1(C)C1CCCCC1 ZINC000879789477 590869885 /nfs/dbraw/zinc/86/98/85/590869885.db2.gz APRWQBAASOPXIS-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1conc1CN1CC[C@@]1(C)C1CCCCC1 ZINC000879790377 590870407 /nfs/dbraw/zinc/87/04/07/590870407.db2.gz WSMSFKXXLIUPNC-HNNXBMFYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1conc1CN1CC[C@]1(C)C1CCCCC1 ZINC000879790378 590870388 /nfs/dbraw/zinc/87/03/88/590870388.db2.gz WSMSFKXXLIUPNC-OAHLLOKOSA-N 0 3 248.370 3.528 20 0 BHADHN CCC1(CC)CCCN1Cc1cc(C2CC2)no1 ZINC000880093959 590923643 /nfs/dbraw/zinc/92/36/43/590923643.db2.gz QQOBNTREJDFGRU-UHFFFAOYSA-N 0 3 248.370 3.707 20 0 BHADHN CCC1(CC)CCCN1Cc1coc(C2CC2)n1 ZINC000880094163 590924358 /nfs/dbraw/zinc/92/43/58/590924358.db2.gz VMIMFDUTOQIPFV-UHFFFAOYSA-N 0 3 248.370 3.707 20 0 BHADHN CCC1(CC)CCCN1Cc1ncc(C2CC2)o1 ZINC000880094973 590924280 /nfs/dbraw/zinc/92/42/80/590924280.db2.gz TUYFJMHEYQYAKG-UHFFFAOYSA-N 0 3 248.370 3.707 20 0 BHADHN CCC[C@@H](C)CCCN[C@H](C)c1nccnc1C ZINC000880109497 590927281 /nfs/dbraw/zinc/92/72/81/590927281.db2.gz YFANBKITDGHRSQ-CHWSQXEVSA-N 0 3 249.402 3.652 20 0 BHADHN CCC[C@@H](C)CCCN[C@@H](C)c1nccnc1C ZINC000880109498 590926903 /nfs/dbraw/zinc/92/69/03/590926903.db2.gz YFANBKITDGHRSQ-OLZOCXBDSA-N 0 3 249.402 3.652 20 0 BHADHN CCC[C@H](C)CCCN[C@H](C)c1nccnc1C ZINC000880109499 590926696 /nfs/dbraw/zinc/92/66/96/590926696.db2.gz YFANBKITDGHRSQ-QWHCGFSZSA-N 0 3 249.402 3.652 20 0 BHADHN CCC[C@H](C)CCCN[C@@H](C)c1nccnc1C ZINC000880109500 590926488 /nfs/dbraw/zinc/92/64/88/590926488.db2.gz YFANBKITDGHRSQ-STQMWFEESA-N 0 3 249.402 3.652 20 0 BHADHN Cc1nccnc1[C@H](C)NC[C@@H](C)CC(C)(C)C ZINC000880109774 590927702 /nfs/dbraw/zinc/92/77/02/590927702.db2.gz HPUQOFLQLRCEQK-AAEUAGOBSA-N 0 3 249.402 3.508 20 0 BHADHN Cc1nccnc1[C@@H](C)NC[C@H](C)CC(C)(C)C ZINC000880109775 590927321 /nfs/dbraw/zinc/92/73/21/590927321.db2.gz HPUQOFLQLRCEQK-DGCLKSJQSA-N 0 3 249.402 3.508 20 0 BHADHN Cc1nccnc1[C@@H](C)NC[C@@H](C)CC(C)(C)C ZINC000880109776 590927682 /nfs/dbraw/zinc/92/76/82/590927682.db2.gz HPUQOFLQLRCEQK-WCQYABFASA-N 0 3 249.402 3.508 20 0 BHADHN Cc1nccnc1[C@H](C)NC[C@H](C)CC(C)(C)C ZINC000880109777 590927433 /nfs/dbraw/zinc/92/74/33/590927433.db2.gz HPUQOFLQLRCEQK-YPMHNXCESA-N 0 3 249.402 3.508 20 0 BHADHN FC(F)c1ccc(CN2CCC(F)CC2)cc1 ZINC000880240215 590974514 /nfs/dbraw/zinc/97/45/14/590974514.db2.gz PWIWTRGQHGLKKQ-UHFFFAOYSA-N 0 3 243.272 3.558 20 0 BHADHN CC(C)c1c[nH]c(CNCCC2=CCCCC2)n1 ZINC000882877294 591460667 /nfs/dbraw/zinc/46/06/67/591460667.db2.gz IZROOEADEIVQRL-UHFFFAOYSA-N 0 3 247.386 3.513 20 0 BHADHN CCCCC[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000882878950 591460254 /nfs/dbraw/zinc/46/02/54/591460254.db2.gz ZVGUTXASYDMHJC-GFCCVEGCSA-N 0 3 237.391 3.592 20 0 BHADHN CCCCC[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000882878951 591459986 /nfs/dbraw/zinc/45/99/86/591459986.db2.gz ZVGUTXASYDMHJC-LBPRGKRZSA-N 0 3 237.391 3.592 20 0 BHADHN CC(C)c1c[nH]c(CN[C@H](C)C2CCCCC2)n1 ZINC000883016530 591515392 /nfs/dbraw/zinc/51/53/92/591515392.db2.gz CMALRTOTHIGBKU-GFCCVEGCSA-N 0 3 249.402 3.592 20 0 BHADHN CC(C)c1c[nH]c(CN[C@@H](C)C2CCCCC2)n1 ZINC000883016531 591515970 /nfs/dbraw/zinc/51/59/70/591515970.db2.gz CMALRTOTHIGBKU-LBPRGKRZSA-N 0 3 249.402 3.592 20 0 BHADHN CCC(CC)(CC)NCc1nc(C(C)C)c[nH]1 ZINC000883017900 591515760 /nfs/dbraw/zinc/51/57/60/591515760.db2.gz GKJHZOIWUBCXOH-UHFFFAOYSA-N 0 3 237.391 3.592 20 0 BHADHN CC(C)=CCC[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883133219 591546810 /nfs/dbraw/zinc/54/68/10/591546810.db2.gz SKRUVYZEIIMUIT-CYBMUJFWSA-N 0 3 249.402 3.758 20 0 BHADHN CC(C)=CCC[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883133220 591546857 /nfs/dbraw/zinc/54/68/57/591546857.db2.gz SKRUVYZEIIMUIT-ZDUSSCGKSA-N 0 3 249.402 3.758 20 0 BHADHN CC[C@@H](NCc1nc(C(C)C)c[nH]1)C1CCCC1 ZINC000883137737 591548877 /nfs/dbraw/zinc/54/88/77/591548877.db2.gz LJDKICHORBMGJU-CYBMUJFWSA-N 0 3 249.402 3.592 20 0 BHADHN CC[C@H](NCc1nc(C(C)C)c[nH]1)C1CCCC1 ZINC000883137738 591549018 /nfs/dbraw/zinc/54/90/18/591549018.db2.gz LJDKICHORBMGJU-ZDUSSCGKSA-N 0 3 249.402 3.592 20 0 BHADHN CC[C@@H](NC1CC1)c1sccc1Cl ZINC000883164528 591557165 /nfs/dbraw/zinc/55/71/65/591557165.db2.gz IHKZKPKLZXNPHT-SECBINFHSA-N 0 3 215.749 3.605 20 0 BHADHN CC[C@H](NC1CC1)c1sccc1Cl ZINC000883164529 591556769 /nfs/dbraw/zinc/55/67/69/591556769.db2.gz IHKZKPKLZXNPHT-VIFPVBQESA-N 0 3 215.749 3.605 20 0 BHADHN CC(C)c1cc(CN[C@@H]2CCCC3(CC3)C2)on1 ZINC000883189310 591567006 /nfs/dbraw/zinc/56/70/06/591567006.db2.gz DKAWEFJKCAGSOV-GFCCVEGCSA-N 0 3 248.370 3.610 20 0 BHADHN CC(C)c1cc(CN[C@H]2CCCC3(CC3)C2)on1 ZINC000883189311 591566362 /nfs/dbraw/zinc/56/63/62/591566362.db2.gz DKAWEFJKCAGSOV-LBPRGKRZSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@H](NCCCF)c1sccc1Cl ZINC000883207501 591572469 /nfs/dbraw/zinc/57/24/69/591572469.db2.gz NSTWUPWCOAXIEK-SECBINFHSA-N 0 3 235.755 3.802 20 0 BHADHN CC[C@H](NCCCF)c1sccc1Cl ZINC000883207502 591572832 /nfs/dbraw/zinc/57/28/32/591572832.db2.gz NSTWUPWCOAXIEK-VIFPVBQESA-N 0 3 235.755 3.802 20 0 BHADHN CC[C@@H](N[C@@H]1CC12CC2)c1sccc1Cl ZINC000883230664 591580156 /nfs/dbraw/zinc/58/01/56/591580156.db2.gz NBRZSUWRRRTUQD-NXEZZACHSA-N 0 3 241.787 3.995 20 0 BHADHN CC[C@H](N[C@H]1CC12CC2)c1sccc1Cl ZINC000883230665 591580347 /nfs/dbraw/zinc/58/03/47/591580347.db2.gz NBRZSUWRRRTUQD-UWVGGRQHSA-N 0 3 241.787 3.995 20 0 BHADHN CC[C@H](N[C@@H]1CC12CC2)c1sccc1Cl ZINC000883230666 591580292 /nfs/dbraw/zinc/58/02/92/591580292.db2.gz NBRZSUWRRRTUQD-VHSXEESVSA-N 0 3 241.787 3.995 20 0 BHADHN CC[C@@H](N[C@H]1CC12CC2)c1sccc1Cl ZINC000883230667 591580396 /nfs/dbraw/zinc/58/03/96/591580396.db2.gz NBRZSUWRRRTUQD-ZJUUUORDSA-N 0 3 241.787 3.995 20 0 BHADHN CCc1ccc(CNCC(C)(C)CC(F)F)o1 ZINC000883252099 591593040 /nfs/dbraw/zinc/59/30/40/591593040.db2.gz RGVZFWWUPCEGSQ-UHFFFAOYSA-N 0 3 245.313 3.613 20 0 BHADHN C[C@@H](NCC1(CC2CC2)CC1)c1ccco1 ZINC000883252306 591592920 /nfs/dbraw/zinc/59/29/20/591592920.db2.gz CJHOHXYREORCNX-LLVKDONJSA-N 0 3 219.328 3.511 20 0 BHADHN C[C@H](NCC1(CC2CC2)CC1)c1ccco1 ZINC000883252307 591593048 /nfs/dbraw/zinc/59/30/48/591593048.db2.gz CJHOHXYREORCNX-NSHDSACASA-N 0 3 219.328 3.511 20 0 BHADHN C[C@@H](NCC1(CC2CC2)CC1)c1ccoc1 ZINC000883253079 591593989 /nfs/dbraw/zinc/59/39/89/591593989.db2.gz HSEWFFGSBYNAME-LLVKDONJSA-N 0 3 219.328 3.511 20 0 BHADHN C[C@H](NCC1(CC2CC2)CC1)c1ccoc1 ZINC000883253080 591593707 /nfs/dbraw/zinc/59/37/07/591593707.db2.gz HSEWFFGSBYNAME-NSHDSACASA-N 0 3 219.328 3.511 20 0 BHADHN CCC[C@@H](C)CCN[C@H](C)c1ccccn1 ZINC000883257432 591594890 /nfs/dbraw/zinc/59/48/90/591594890.db2.gz BEHSKIGJWABCJU-CHWSQXEVSA-N 0 3 220.360 3.559 20 0 BHADHN CCC[C@@H](C)CCN[C@@H](C)c1ccccn1 ZINC000883257433 591595003 /nfs/dbraw/zinc/59/50/03/591595003.db2.gz BEHSKIGJWABCJU-OLZOCXBDSA-N 0 3 220.360 3.559 20 0 BHADHN CCC[C@H](C)CCN[C@H](C)c1ccccn1 ZINC000883257434 583767434 /nfs/dbraw/zinc/76/74/34/583767434.db2.gz BEHSKIGJWABCJU-QWHCGFSZSA-N 0 3 220.360 3.559 20 0 BHADHN CCC[C@H](C)CCN[C@@H](C)c1ccccn1 ZINC000883257435 583767363 /nfs/dbraw/zinc/76/73/63/583767363.db2.gz BEHSKIGJWABCJU-STQMWFEESA-N 0 3 220.360 3.559 20 0 BHADHN CCC[C@@H](C)CCN[C@H](C)c1cscn1 ZINC000883257646 591595086 /nfs/dbraw/zinc/59/50/86/591595086.db2.gz HKQJIJFUWHDFQK-GHMZBOCLSA-N 0 3 226.389 3.620 20 0 BHADHN CCC[C@@H](C)CCN[C@@H](C)c1cscn1 ZINC000883257647 591594719 /nfs/dbraw/zinc/59/47/19/591594719.db2.gz HKQJIJFUWHDFQK-MNOVXSKESA-N 0 3 226.389 3.620 20 0 BHADHN CCC[C@H](C)CCN[C@@H](C)c1cscn1 ZINC000883257648 591595281 /nfs/dbraw/zinc/59/52/81/591595281.db2.gz HKQJIJFUWHDFQK-QWRGUYRKSA-N 0 3 226.389 3.620 20 0 BHADHN CCC[C@H](C)CCN[C@H](C)c1cscn1 ZINC000883257649 591594690 /nfs/dbraw/zinc/59/46/90/591594690.db2.gz HKQJIJFUWHDFQK-WDEREUQCSA-N 0 3 226.389 3.620 20 0 BHADHN CCC[C@@H](C)CCN[C@H](C)c1nccs1 ZINC000883258306 591595972 /nfs/dbraw/zinc/59/59/72/591595972.db2.gz WPSYBLLRRODUHW-GHMZBOCLSA-N 0 3 226.389 3.620 20 0 BHADHN CCC[C@@H](C)CCN[C@@H](C)c1nccs1 ZINC000883258307 591596111 /nfs/dbraw/zinc/59/61/11/591596111.db2.gz WPSYBLLRRODUHW-MNOVXSKESA-N 0 3 226.389 3.620 20 0 BHADHN CCC[C@H](C)CCN[C@@H](C)c1nccs1 ZINC000883258308 591595695 /nfs/dbraw/zinc/59/56/95/591595695.db2.gz WPSYBLLRRODUHW-QWRGUYRKSA-N 0 3 226.389 3.620 20 0 BHADHN CCC[C@H](C)CCN[C@H](C)c1nccs1 ZINC000883258309 591596197 /nfs/dbraw/zinc/59/61/97/591596197.db2.gz WPSYBLLRRODUHW-WDEREUQCSA-N 0 3 226.389 3.620 20 0 BHADHN C=C/C=C\CCNCc1cnc(C2CCC2)s1 ZINC000883261233 591598446 /nfs/dbraw/zinc/59/84/46/591598446.db2.gz VJKJIJIZYNUEOO-ARJAWSKDSA-N 0 3 248.395 3.633 20 0 BHADHN C=C/C=C/CCNCc1cnc(C2CCC2)s1 ZINC000883261234 591598985 /nfs/dbraw/zinc/59/89/85/591598985.db2.gz VJKJIJIZYNUEOO-ONEGZZNKSA-N 0 3 248.395 3.633 20 0 BHADHN Cc1ccoc1CNCC[C@H]1CCCC1(F)F ZINC000883266251 591601315 /nfs/dbraw/zinc/60/13/15/591601315.db2.gz VUHGMBPPVMDCOE-LLVKDONJSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1ccoc1CNCC[C@@H]1CCCC1(F)F ZINC000883266252 591601054 /nfs/dbraw/zinc/60/10/54/591601054.db2.gz VUHGMBPPVMDCOE-NSHDSACASA-N 0 3 243.297 3.503 20 0 BHADHN Cc1ccc(CNCC[C@H]2CCCC2(F)F)o1 ZINC000883266769 591601157 /nfs/dbraw/zinc/60/11/57/591601157.db2.gz JBRZDFWRDICKSX-LLVKDONJSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1ccc(CNCC[C@@H]2CCCC2(F)F)o1 ZINC000883266770 591600776 /nfs/dbraw/zinc/60/07/76/591600776.db2.gz JBRZDFWRDICKSX-NSHDSACASA-N 0 3 243.297 3.503 20 0 BHADHN C=C/C=C\CCN[C@H](CCC)c1ccccn1 ZINC000883267342 591601436 /nfs/dbraw/zinc/60/14/36/591601436.db2.gz BGLQZEGHJZLAQI-GEXIGZQTSA-N 0 3 230.355 3.645 20 0 BHADHN C=C/C=C/CCN[C@@H](CCC)c1ccccn1 ZINC000883267343 591600980 /nfs/dbraw/zinc/60/09/80/591600980.db2.gz BGLQZEGHJZLAQI-GJBLVYBDSA-N 0 3 230.355 3.645 20 0 BHADHN C=C/C=C\CCN[C@@H](CCC)c1ccccn1 ZINC000883267344 591601427 /nfs/dbraw/zinc/60/14/27/591601427.db2.gz BGLQZEGHJZLAQI-GXMNPTEKSA-N 0 3 230.355 3.645 20 0 BHADHN C=C/C=C/CCN[C@H](CCC)c1ccccn1 ZINC000883267345 583770243 /nfs/dbraw/zinc/77/02/43/583770243.db2.gz BGLQZEGHJZLAQI-VBROQKIQSA-N 0 3 230.355 3.645 20 0 BHADHN C=C/C=C\CCN[C@H](C)c1cccnc1Cl ZINC000883267566 591600891 /nfs/dbraw/zinc/60/08/91/591600891.db2.gz KFPSDADVOONWLN-DOGVGXBMSA-N 0 3 236.746 3.518 20 0 BHADHN C=C/C=C/CCN[C@H](C)c1cccnc1Cl ZINC000883267567 591600852 /nfs/dbraw/zinc/60/08/52/591600852.db2.gz KFPSDADVOONWLN-SGUJLRQBSA-N 0 3 236.746 3.518 20 0 BHADHN C=C/C=C\CCN[C@@H](C)c1cccnc1Cl ZINC000883267568 591600788 /nfs/dbraw/zinc/60/07/88/591600788.db2.gz KFPSDADVOONWLN-WYGGZMRJSA-N 0 3 236.746 3.518 20 0 BHADHN C=C/C=C/CCN[C@@H](C)c1cccnc1Cl ZINC000883267569 591601356 /nfs/dbraw/zinc/60/13/56/591601356.db2.gz KFPSDADVOONWLN-ZWNMCFTASA-N 0 3 236.746 3.518 20 0 BHADHN C=C/C=C\CCN[C@@H](c1ccc(F)cn1)C(C)C ZINC000883268015 591600704 /nfs/dbraw/zinc/60/07/04/591600704.db2.gz AGSBFUNWNCUWQX-IYKSTZQJSA-N 0 3 248.345 3.640 20 0 BHADHN C=C/C=C/CCN[C@@H](c1ccc(F)cn1)C(C)C ZINC000883268016 591601330 /nfs/dbraw/zinc/60/13/30/591601330.db2.gz AGSBFUNWNCUWQX-LLYBFZRZSA-N 0 3 248.345 3.640 20 0 BHADHN C=C/C=C/CCN[C@H](c1ccc(F)cn1)C(C)C ZINC000883268017 591600932 /nfs/dbraw/zinc/60/09/32/591600932.db2.gz AGSBFUNWNCUWQX-NFAHFFEMSA-N 0 3 248.345 3.640 20 0 BHADHN C=C/C=C\CCN[C@H](c1ccc(F)cn1)C(C)C ZINC000883268018 591601246 /nfs/dbraw/zinc/60/12/46/591601246.db2.gz AGSBFUNWNCUWQX-YVACAVLKSA-N 0 3 248.345 3.640 20 0 BHADHN C=C/C=C\CCN[C@H](C)c1ccncc1Cl ZINC000883268310 591602248 /nfs/dbraw/zinc/60/22/48/591602248.db2.gz ICFPLEBHJUURFI-DOGVGXBMSA-N 0 3 236.746 3.518 20 0 BHADHN C=C/C=C/CCN[C@H](C)c1ccncc1Cl ZINC000883268311 591601868 /nfs/dbraw/zinc/60/18/68/591601868.db2.gz ICFPLEBHJUURFI-SGUJLRQBSA-N 0 3 236.746 3.518 20 0 BHADHN C=C/C=C\CCN[C@@H](C)c1ccncc1Cl ZINC000883268312 591602022 /nfs/dbraw/zinc/60/20/22/591602022.db2.gz ICFPLEBHJUURFI-WYGGZMRJSA-N 0 3 236.746 3.518 20 0 BHADHN C=C/C=C/CCN[C@@H](C)c1ccncc1Cl ZINC000883268313 591602072 /nfs/dbraw/zinc/60/20/72/591602072.db2.gz ICFPLEBHJUURFI-ZWNMCFTASA-N 0 3 236.746 3.518 20 0 BHADHN C[C@H](NCc1nsc2ccccc21)C1CCC1 ZINC000883402140 591648885 /nfs/dbraw/zinc/64/88/85/591648885.db2.gz JFVLNNDXOIINOJ-JTQLQIEISA-N 0 3 246.379 3.575 20 0 BHADHN C[C@@H](NCc1nsc2ccccc21)C1CCC1 ZINC000883402141 591648315 /nfs/dbraw/zinc/64/83/15/591648315.db2.gz JFVLNNDXOIINOJ-SNVBAGLBSA-N 0 3 246.379 3.575 20 0 BHADHN Cc1coc(CNC2(C)CCC(F)(F)CC2)c1 ZINC000886059443 592142453 /nfs/dbraw/zinc/14/24/53/592142453.db2.gz DRYLMWMEJYGJSL-UHFFFAOYSA-N 0 3 243.297 3.646 20 0 BHADHN Cc1coc(CN[C@H](CC(F)(F)F)C(C)C)c1 ZINC000886083792 592144909 /nfs/dbraw/zinc/14/49/09/592144909.db2.gz NEXNBKBBLJGKDA-LLVKDONJSA-N 0 3 249.276 3.655 20 0 BHADHN Cc1coc(CN[C@@H](CC(F)(F)F)C(C)C)c1 ZINC000886083793 592145713 /nfs/dbraw/zinc/14/57/13/592145713.db2.gz NEXNBKBBLJGKDA-NSHDSACASA-N 0 3 249.276 3.655 20 0 BHADHN Cc1coc(CN[C@@H](C)CCCC(F)(F)F)c1 ZINC000886090504 592146224 /nfs/dbraw/zinc/14/62/24/592146224.db2.gz ZZVWVXSNLOVEMY-JTQLQIEISA-N 0 3 249.276 3.799 20 0 BHADHN Cc1coc(CN[C@H](C)CCCC(F)(F)F)c1 ZINC000886090505 592145475 /nfs/dbraw/zinc/14/54/75/592145475.db2.gz ZZVWVXSNLOVEMY-SNVBAGLBSA-N 0 3 249.276 3.799 20 0 BHADHN C[C@@H](c1ccccn1)N(C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886092083 592146880 /nfs/dbraw/zinc/14/68/80/592146880.db2.gz NIZIVGIRVCJPEX-CFVMTHIKSA-N 0 3 244.382 3.511 20 0 BHADHN C[C@H](c1ccccn1)N(C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886092084 592146249 /nfs/dbraw/zinc/14/62/49/592146249.db2.gz NIZIVGIRVCJPEX-YUELXQCFSA-N 0 3 244.382 3.511 20 0 BHADHN C[C@@H](c1cccnc1)N(C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886092372 592146584 /nfs/dbraw/zinc/14/65/84/592146584.db2.gz VFXVZDNOEHYXMX-BJJXKVORSA-N 0 3 244.382 3.511 20 0 BHADHN C[C@H](c1cccnc1)N(C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886092373 592146491 /nfs/dbraw/zinc/14/64/91/592146491.db2.gz VFXVZDNOEHYXMX-XPKDYRNWSA-N 0 3 244.382 3.511 20 0 BHADHN Cc1coc(CNC[C@@H]2CCCC(F)(F)C2)c1 ZINC000886107207 592156141 /nfs/dbraw/zinc/15/61/41/592156141.db2.gz NEHIWUCMMMDEJE-LLVKDONJSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1coc(CNC[C@H]2CCCC(F)(F)C2)c1 ZINC000886107208 592156647 /nfs/dbraw/zinc/15/66/47/592156647.db2.gz NEHIWUCMMMDEJE-NSHDSACASA-N 0 3 243.297 3.503 20 0 BHADHN Cc1coc(CNCC(C)(C)CC(F)(F)F)c1 ZINC000886166712 592167404 /nfs/dbraw/zinc/16/74/04/592167404.db2.gz PBYJRLSPLKJWIL-UHFFFAOYSA-N 0 3 249.276 3.656 20 0 BHADHN Cc1coc(CNCC[C@H]2CCCC2(F)F)c1 ZINC000886185842 585110841 /nfs/dbraw/zinc/11/08/41/585110841.db2.gz JMDHCOVEVSEHJR-LLVKDONJSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1coc(CNCC[C@@H]2CCCC2(F)F)c1 ZINC000886185843 585110970 /nfs/dbraw/zinc/11/09/70/585110970.db2.gz JMDHCOVEVSEHJR-NSHDSACASA-N 0 3 243.297 3.503 20 0 BHADHN CSc1ccc(CNC2CCC=CCC2)o1 ZINC000886376782 592221544 /nfs/dbraw/zinc/22/15/44/592221544.db2.gz ZQWPAISLEYSBEU-UHFFFAOYSA-N 0 3 237.368 3.590 20 0 BHADHN CCCC(CCC)NCc1cc(C2CC2)no1 ZINC000886682710 592301253 /nfs/dbraw/zinc/30/12/53/592301253.db2.gz NRJUPBIGYBWVIY-UHFFFAOYSA-N 0 3 236.359 3.610 20 0 BHADHN CCCC[C@@H](CC)NCc1cc(C2CC2)no1 ZINC000886682955 592302903 /nfs/dbraw/zinc/30/29/03/592302903.db2.gz TYNXVUNPSXPBRR-GFCCVEGCSA-N 0 3 236.359 3.610 20 0 BHADHN CCCC[C@H](CC)NCc1cc(C2CC2)no1 ZINC000886682956 592302816 /nfs/dbraw/zinc/30/28/16/592302816.db2.gz TYNXVUNPSXPBRR-LBPRGKRZSA-N 0 3 236.359 3.610 20 0 BHADHN CC[C@@]1(C)CCC[C@H]1NCc1cc(C2CC2)no1 ZINC000886684859 592302470 /nfs/dbraw/zinc/30/24/70/592302470.db2.gz UVMRXMNHWKGKOT-CABCVRRESA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@@]1(C)CCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000886684860 592303123 /nfs/dbraw/zinc/30/31/23/592303123.db2.gz UVMRXMNHWKGKOT-GJZGRUSLSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@]1(C)CCC[C@H]1NCc1cc(C2CC2)no1 ZINC000886684861 592301602 /nfs/dbraw/zinc/30/16/02/592301602.db2.gz UVMRXMNHWKGKOT-HUUCEWRRSA-N 0 3 248.370 3.610 20 0 BHADHN CC[C@]1(C)CCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000886684862 592301405 /nfs/dbraw/zinc/30/14/05/592301405.db2.gz UVMRXMNHWKGKOT-LSDHHAIUSA-N 0 3 248.370 3.610 20 0 BHADHN C[C@@H]([NH2+]C1CCC=CCC1)c1cccc([O-])c1F ZINC000886815335 592336089 /nfs/dbraw/zinc/33/60/89/592336089.db2.gz BQLHLUPEGDFRQO-LLVKDONJSA-N 0 3 249.329 3.681 20 0 BHADHN C[C@H]([NH2+]C1CCC=CCC1)c1cccc([O-])c1F ZINC000886815336 592336081 /nfs/dbraw/zinc/33/60/81/592336081.db2.gz BQLHLUPEGDFRQO-NSHDSACASA-N 0 3 249.329 3.681 20 0 BHADHN c1nc2c(s1)CCC[C@H]2NC1CCC=CCC1 ZINC000886816392 592340900 /nfs/dbraw/zinc/34/09/00/592340900.db2.gz SHTQLSOISAKDIM-GFCCVEGCSA-N 0 3 248.395 3.609 20 0 BHADHN c1nc2c(s1)CCC[C@@H]2NC1CCC=CCC1 ZINC000886816393 592340339 /nfs/dbraw/zinc/34/03/39/592340339.db2.gz SHTQLSOISAKDIM-LBPRGKRZSA-N 0 3 248.395 3.609 20 0 BHADHN C[C@H]([NH2+]C1(C2CC2)CCC1)c1cccc([O-])c1F ZINC000886824549 592346616 /nfs/dbraw/zinc/34/66/16/592346616.db2.gz BNCGRHYFNDAEGZ-JTQLQIEISA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H]([NH2+]C1(C2CC2)CCC1)c1cccc([O-])c1F ZINC000886824550 592346710 /nfs/dbraw/zinc/34/67/10/592346710.db2.gz BNCGRHYFNDAEGZ-SNVBAGLBSA-N 0 3 249.329 3.515 20 0 BHADHN Cc1ccc([C@@H](C)NC2(C3CC3)CCC2)o1 ZINC000886825054 585180750 /nfs/dbraw/zinc/18/07/50/585180750.db2.gz LLNNCCHLGRQDSZ-LLVKDONJSA-N 0 3 219.328 3.571 20 0 BHADHN Cc1ccc([C@H](C)NC2(C3CC3)CCC2)o1 ZINC000886825055 585180766 /nfs/dbraw/zinc/18/07/66/585180766.db2.gz LLNNCCHLGRQDSZ-NSHDSACASA-N 0 3 219.328 3.571 20 0 BHADHN C[C@H](NC1(C2CC2)CCC1)c1cc(O)ccc1F ZINC000886825202 592348985 /nfs/dbraw/zinc/34/89/85/592348985.db2.gz OOMTURBCCYRFKL-JTQLQIEISA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H](NC1(C2CC2)CCC1)c1cc(O)ccc1F ZINC000886825203 592348933 /nfs/dbraw/zinc/34/89/33/592348933.db2.gz OOMTURBCCYRFKL-SNVBAGLBSA-N 0 3 249.329 3.515 20 0 BHADHN CC(C)(NCCCCF)c1ccc(F)cc1F ZINC000886898273 592391956 /nfs/dbraw/zinc/39/19/56/592391956.db2.gz WZXDYYBETMNIEU-UHFFFAOYSA-N 0 3 245.288 3.539 20 0 BHADHN CN(CCCF)Cc1cc2ccccc2s1 ZINC000887141323 592457876 /nfs/dbraw/zinc/45/78/76/592457876.db2.gz OKVFKXNNYMEGBY-UHFFFAOYSA-N 0 3 237.343 3.693 20 0 BHADHN CCN(CC)Cc1ccc(C(F)F)c(F)c1 ZINC000891438321 582685441 /nfs/dbraw/zinc/68/54/41/582685441.db2.gz JHODCCQTVBNXEW-UHFFFAOYSA-N 0 3 231.261 3.605 20 0 BHADHN CCCN(C)Cc1ccc(C(F)F)c(F)c1 ZINC000891578118 582698107 /nfs/dbraw/zinc/69/81/07/582698107.db2.gz ITXZUGVLWWAJCU-UHFFFAOYSA-N 0 3 231.261 3.605 20 0 BHADHN Cc1noc(C)c1CN(C)CCCCC(C)C ZINC000891699837 631454817 /nfs/dbraw/zinc/45/48/17/631454817.db2.gz MZHDNTIPFLZTFE-UHFFFAOYSA-N 0 3 238.375 3.550 20 0 BHADHN CN(Cc1ccc(C(F)F)c(F)c1)CC1CC1 ZINC000891737202 582715529 /nfs/dbraw/zinc/71/55/29/582715529.db2.gz XOBPTNVTXYDCSM-UHFFFAOYSA-N 0 3 243.272 3.605 20 0 BHADHN C[C@@H]1CCN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC000891797076 582723356 /nfs/dbraw/zinc/72/33/56/582723356.db2.gz HUABEPDOKHXOML-SECBINFHSA-N 0 3 243.272 3.605 20 0 BHADHN C[C@H]1CCN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC000891797077 582723406 /nfs/dbraw/zinc/72/34/06/582723406.db2.gz HUABEPDOKHXOML-VIFPVBQESA-N 0 3 243.272 3.605 20 0 BHADHN C[C@@H]1CCCN1Cc1ccc(C(F)F)c(F)c1 ZINC000892019241 582762612 /nfs/dbraw/zinc/76/26/12/582762612.db2.gz IWFIFXLDDUYGOB-SECBINFHSA-N 0 3 243.272 3.748 20 0 BHADHN C[C@H]1CCCN1Cc1ccc(C(F)F)c(F)c1 ZINC000892019242 582762755 /nfs/dbraw/zinc/76/27/55/582762755.db2.gz IWFIFXLDDUYGOB-VIFPVBQESA-N 0 3 243.272 3.748 20 0 BHADHN CN(Cc1ccc(C(F)F)c(F)c1)C1CCC1 ZINC000892059012 582778979 /nfs/dbraw/zinc/77/89/79/582778979.db2.gz RMXVDPZEXJEAOH-UHFFFAOYSA-N 0 3 243.272 3.748 20 0 BHADHN CCc1onc(C)c1CNCCC1=CCCCC1 ZINC000892478287 582894829 /nfs/dbraw/zinc/89/48/29/582894829.db2.gz HADFODOCDGMFEW-UHFFFAOYSA-N 0 3 248.370 3.526 20 0 BHADHN CC(C)(C)CCCCNCc1nccn1C1CC1 ZINC000892916964 583009106 /nfs/dbraw/zinc/00/91/06/583009106.db2.gz NLZNIZUYCZAHGV-UHFFFAOYSA-N 0 3 249.402 3.524 20 0 BHADHN Cc1ncoc1CN(C1CC1)C1CCC(C)CC1 ZINC000893929391 583250730 /nfs/dbraw/zinc/25/07/30/583250730.db2.gz QBXUHQZPTOYLCL-UHFFFAOYSA-N 0 3 248.370 3.526 20 0 BHADHN Cc1ncoc1CN(CC1CCCCC1)C1CC1 ZINC000893966402 583263913 /nfs/dbraw/zinc/26/39/13/583263913.db2.gz AHPPNNZZYZTORW-UHFFFAOYSA-N 0 3 248.370 3.528 20 0 BHADHN Cc1ncoc1CN(C)C1CCCCCCC1 ZINC000893985921 583269183 /nfs/dbraw/zinc/26/91/83/583269183.db2.gz FLNBTJYHPABXSM-UHFFFAOYSA-N 0 3 236.359 3.528 20 0 BHADHN Cc1ncoc1CN1CCC2(CCCCC2)CC1 ZINC000893994177 583268063 /nfs/dbraw/zinc/26/80/63/583268063.db2.gz JNWGYSJYMCDYMG-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN CCC(C)(C)N(C)Cc1ccc(SC)o1 ZINC000894018940 583273522 /nfs/dbraw/zinc/27/35/22/583273522.db2.gz JQENFCZEXNQGBC-UHFFFAOYSA-N 0 3 227.373 3.622 20 0 BHADHN Cc1ncoc1CN1CCCC2(CCCCC2)C1 ZINC000894021767 583275107 /nfs/dbraw/zinc/27/51/07/583275107.db2.gz VUWBIMWHZNFKTC-UHFFFAOYSA-N 0 3 248.370 3.529 20 0 BHADHN C[N@@H+](Cc1cc2c(cccc2[O-])s1)C1CCC1 ZINC000894032456 583276529 /nfs/dbraw/zinc/27/65/29/583276529.db2.gz JFVLMZPIOWXPLX-UHFFFAOYSA-N 0 3 247.363 3.591 20 0 BHADHN C[N@H+](Cc1cc2c(cccc2[O-])s1)C1CCC1 ZINC000894032456 583276527 /nfs/dbraw/zinc/27/65/27/583276527.db2.gz JFVLMZPIOWXPLX-UHFFFAOYSA-N 0 3 247.363 3.591 20 0 BHADHN CCCCC[C@@H]1CCCN1Cc1ocnc1C ZINC000894093858 583300018 /nfs/dbraw/zinc/30/00/18/583300018.db2.gz IWFDMKIYPSVBJD-CYBMUJFWSA-N 0 3 236.359 3.528 20 0 BHADHN CCCCC[C@H]1CCCN1Cc1ocnc1C ZINC000894093860 583300076 /nfs/dbraw/zinc/30/00/76/583300076.db2.gz IWFDMKIYPSVBJD-ZDUSSCGKSA-N 0 3 236.359 3.528 20 0 BHADHN Cc1ncoc1CNC(CC(C)C)CC(C)C ZINC000894234352 583385310 /nfs/dbraw/zinc/38/53/10/583385310.db2.gz GHSJQHBKJMIJBF-UHFFFAOYSA-N 0 3 238.375 3.533 20 0 BHADHN CCCCCC(C)(C)CNCc1ocnc1C ZINC000894352036 583433577 /nfs/dbraw/zinc/43/35/77/583433577.db2.gz JOJJXNLOPJDNEX-UHFFFAOYSA-N 0 3 238.375 3.679 20 0 BHADHN CC1([NH2+]Cc2cc3c(cccc3[O-])s2)CCC1 ZINC000894410934 583451859 /nfs/dbraw/zinc/45/18/59/583451859.db2.gz FUBVTOACUFONKR-UHFFFAOYSA-N 0 3 247.363 3.639 20 0 BHADHN Cc1ncoc1CNCC(C)(C)C1=CCCCC1 ZINC000894487108 583471605 /nfs/dbraw/zinc/47/16/05/583471605.db2.gz GGMJPKVCHCUAPR-UHFFFAOYSA-N 0 3 248.370 3.599 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1ccnn1C1CCC1 ZINC000894557030 635907210 /nfs/dbraw/zinc/90/72/10/635907210.db2.gz RTODADPARZXXTO-CYBMUJFWSA-N 0 3 249.402 3.619 20 0 BHADHN CCCC[C@H](C)N(C)Cc1ccnn1C1CCC1 ZINC000894557031 635908206 /nfs/dbraw/zinc/90/82/06/635908206.db2.gz RTODADPARZXXTO-ZDUSSCGKSA-N 0 3 249.402 3.619 20 0 BHADHN CC(C)c1c[nH]c(CN(CC2CCC2)C(C)C)n1 ZINC000894573891 583486703 /nfs/dbraw/zinc/48/67/03/583486703.db2.gz JLILOVMXZLTSDJ-UHFFFAOYSA-N 0 3 249.402 3.544 20 0 BHADHN CCOc1ccc(CN(C2CCC2)C2CCC2)o1 ZINC000894591437 583488414 /nfs/dbraw/zinc/48/84/14/583488414.db2.gz FHBFRVGMQJINTK-UHFFFAOYSA-N 0 3 249.354 3.585 20 0 BHADHN C[C@@H](F)CCNCc1ccc(C(F)F)c(F)c1 ZINC000894624974 583496610 /nfs/dbraw/zinc/49/66/10/583496610.db2.gz SAECVCKKYLIBRP-MRVPVSSYSA-N 0 3 249.251 3.601 20 0 BHADHN C[C@H](F)CCNCc1ccc(C(F)F)c(F)c1 ZINC000894624976 583496104 /nfs/dbraw/zinc/49/61/04/583496104.db2.gz SAECVCKKYLIBRP-QMMMGPOBSA-N 0 3 249.251 3.601 20 0 BHADHN COc1ccc(CN[C@H](C)CCC=C(C)C)o1 ZINC000894691775 583507656 /nfs/dbraw/zinc/50/76/56/583507656.db2.gz FHWSVSQSTFCGHV-GFCCVEGCSA-N 0 3 237.343 3.513 20 0 BHADHN COc1ccc(CN[C@@H](C)CCC=C(C)C)o1 ZINC000894691776 583507547 /nfs/dbraw/zinc/50/75/47/583507547.db2.gz FHWSVSQSTFCGHV-LBPRGKRZSA-N 0 3 237.343 3.513 20 0 BHADHN CCC[C@@H](NCc1nccn1C1CC1)C(C)(C)C ZINC000894706900 583511931 /nfs/dbraw/zinc/51/19/31/583511931.db2.gz IPDRYKMPVRLNGW-CYBMUJFWSA-N 0 3 249.402 3.522 20 0 BHADHN CCC[C@H](NCc1nccn1C1CC1)C(C)(C)C ZINC000894706902 583512367 /nfs/dbraw/zinc/51/23/67/583512367.db2.gz IPDRYKMPVRLNGW-ZDUSSCGKSA-N 0 3 249.402 3.522 20 0 BHADHN Cc1coc(CN(C)C2CCC(F)(F)CC2)c1 ZINC000894785114 583521099 /nfs/dbraw/zinc/52/10/99/583521099.db2.gz RNXFPXQHRAGWOQ-UHFFFAOYSA-N 0 3 243.297 3.598 20 0 BHADHN Cc1ncoc1CN[C@H]1CCCCC12CCCC2 ZINC000894816108 583522683 /nfs/dbraw/zinc/52/26/83/583522683.db2.gz VAUBQDDCXSUNFN-AWEZNQCLSA-N 0 3 248.370 3.576 20 0 BHADHN Cc1ncoc1CN[C@@H]1CCCCC12CCCC2 ZINC000894816109 583522928 /nfs/dbraw/zinc/52/29/28/583522928.db2.gz VAUBQDDCXSUNFN-CQSZACIVSA-N 0 3 248.370 3.576 20 0 BHADHN CCC1([NH2+]Cc2cc3c(cccc3[O-])s2)CC1 ZINC000894877727 583541721 /nfs/dbraw/zinc/54/17/21/583541721.db2.gz IXGABMXPRHTSGF-UHFFFAOYSA-N 0 3 247.363 3.639 20 0 BHADHN CCC[C@@H](NCc1nc(C(C)C)c[nH]1)C1CCC1 ZINC000894986592 583565128 /nfs/dbraw/zinc/56/51/28/583565128.db2.gz XZJDHNFKAYZMCJ-CYBMUJFWSA-N 0 3 249.402 3.592 20 0 BHADHN CCC[C@H](NCc1nc(C(C)C)c[nH]1)C1CCC1 ZINC000894986593 583565120 /nfs/dbraw/zinc/56/51/20/583565120.db2.gz XZJDHNFKAYZMCJ-ZDUSSCGKSA-N 0 3 249.402 3.592 20 0 BHADHN CC1(C)C[C@]1(C)NCc1nccc2ccccc21 ZINC000895335361 583652909 /nfs/dbraw/zinc/65/29/09/583652909.db2.gz LESNRPFFIGUAQE-INIZCTEOSA-N 0 3 240.350 3.513 20 0 BHADHN CC1(C)C[C@@]1(C)NCc1nccc2ccccc21 ZINC000895335363 583652858 /nfs/dbraw/zinc/65/28/58/583652858.db2.gz LESNRPFFIGUAQE-MRXNPFEDSA-N 0 3 240.350 3.513 20 0 BHADHN CCC(CC)CCCN(C)Cc1ocnc1C ZINC000895336429 583653257 /nfs/dbraw/zinc/65/32/57/583653257.db2.gz VLEJDVSULAZUSJ-UHFFFAOYSA-N 0 3 238.375 3.631 20 0 BHADHN Fc1cc(CN[C@H]2C=CCC2)ccc1C(F)F ZINC000895337125 583653732 /nfs/dbraw/zinc/65/37/32/583653732.db2.gz GCEMWGKXBNBUOV-JTQLQIEISA-N 0 3 241.256 3.572 20 0 BHADHN Fc1cc(CN[C@@H]2C=CCC2)ccc1C(F)F ZINC000895337126 583653994 /nfs/dbraw/zinc/65/39/94/583653994.db2.gz GCEMWGKXBNBUOV-SNVBAGLBSA-N 0 3 241.256 3.572 20 0 BHADHN CCC[C@H](N[C@@H](C)c1ncco1)C1CCCC1 ZINC000895763948 583722471 /nfs/dbraw/zinc/72/24/71/583722471.db2.gz DJPLZSDGXNZSDP-AAEUAGOBSA-N 0 3 236.359 3.684 20 0 BHADHN CCC[C@@H](N[C@H](C)c1ncco1)C1CCCC1 ZINC000895763949 583722331 /nfs/dbraw/zinc/72/23/31/583722331.db2.gz DJPLZSDGXNZSDP-DGCLKSJQSA-N 0 3 236.359 3.684 20 0 BHADHN CCC[C@@H](N[C@@H](C)c1ncco1)C1CCCC1 ZINC000895763950 583722625 /nfs/dbraw/zinc/72/26/25/583722625.db2.gz DJPLZSDGXNZSDP-WCQYABFASA-N 0 3 236.359 3.684 20 0 BHADHN CCC[C@H](N[C@H](C)c1ncco1)C1CCCC1 ZINC000895763952 583722763 /nfs/dbraw/zinc/72/27/63/583722763.db2.gz DJPLZSDGXNZSDP-YPMHNXCESA-N 0 3 236.359 3.684 20 0 BHADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@H]1C)c1ncco1 ZINC000895764022 583722730 /nfs/dbraw/zinc/72/27/30/583722730.db2.gz DTHXWVBCZPRYQQ-GRYCIOLGSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@@H]1C)c1ncco1 ZINC000895764024 583722632 /nfs/dbraw/zinc/72/26/32/583722632.db2.gz DTHXWVBCZPRYQQ-SDDRHHMPSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@H](N[C@H]1CCC(C)(C)C[C@@H]1C)c1ncco1 ZINC000895764025 583722842 /nfs/dbraw/zinc/72/28/42/583722842.db2.gz DTHXWVBCZPRYQQ-SRVKXCTJSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@H](N[C@H]1CCC(C)(C)C[C@H]1C)c1ncco1 ZINC000895764027 583722672 /nfs/dbraw/zinc/72/26/72/583722672.db2.gz DTHXWVBCZPRYQQ-WOPDTQHZSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@@H](N[C@@H]1CCCCC12CCCC2)c1ncco1 ZINC000895765818 583718980 /nfs/dbraw/zinc/71/89/80/583718980.db2.gz RCTGJIGLZFBWEG-CHWSQXEVSA-N 0 3 248.370 3.828 20 0 BHADHN C[C@@H](N[C@H]1CCCCC12CCCC2)c1ncco1 ZINC000895765819 583719195 /nfs/dbraw/zinc/71/91/95/583719195.db2.gz RCTGJIGLZFBWEG-OLZOCXBDSA-N 0 3 248.370 3.828 20 0 BHADHN C[C@H](N[C@@H]1CCCCC12CCCC2)c1ncco1 ZINC000895765820 583719419 /nfs/dbraw/zinc/71/94/19/583719419.db2.gz RCTGJIGLZFBWEG-QWHCGFSZSA-N 0 3 248.370 3.828 20 0 BHADHN C[C@H](N[C@H]1CCCCC12CCCC2)c1ncco1 ZINC000895765821 583719370 /nfs/dbraw/zinc/71/93/70/583719370.db2.gz RCTGJIGLZFBWEG-STQMWFEESA-N 0 3 248.370 3.828 20 0 BHADHN C[C@@H](N[C@@H](C)c1ncco1)[C@@H]1CC2CCC1CC2 ZINC000895766672 583718822 /nfs/dbraw/zinc/71/88/22/583718822.db2.gz WPUVQCYQIDNHPH-CJQNXBEJSA-N 0 3 248.370 3.540 20 0 BHADHN C[C@H](N[C@@H](C)[C@H]1CC2CCC1CC2)c1ncco1 ZINC000895766673 583719558 /nfs/dbraw/zinc/71/95/58/583719558.db2.gz WPUVQCYQIDNHPH-HRDMENRUSA-N 0 3 248.370 3.540 20 0 BHADHN C[C@H](N[C@@H](C)[C@@H]1CC2CCC1CC2)c1ncco1 ZINC000895766674 583719381 /nfs/dbraw/zinc/71/93/81/583719381.db2.gz WPUVQCYQIDNHPH-LFSIAQGGSA-N 0 3 248.370 3.540 20 0 BHADHN C[C@@H](N[C@@H](C)c1ncco1)[C@H]1CC2CCC1CC2 ZINC000895766675 583719069 /nfs/dbraw/zinc/71/90/69/583719069.db2.gz WPUVQCYQIDNHPH-XPXVYLNCSA-N 0 3 248.370 3.540 20 0 BHADHN CCCC[C@@H]1CCC[C@H]1N[C@H](C)c1ncco1 ZINC000895766860 583719035 /nfs/dbraw/zinc/71/90/35/583719035.db2.gz VPYVNXPAVIAPII-JHJVBQTASA-N 0 3 236.359 3.684 20 0 BHADHN CCCC[C@@H]1CCC[C@@H]1N[C@H](C)c1ncco1 ZINC000895767097 583722184 /nfs/dbraw/zinc/72/21/84/583722184.db2.gz VPYVNXPAVIAPII-UPJWGTAASA-N 0 3 236.359 3.684 20 0 BHADHN CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ncco1 ZINC000895767098 583721838 /nfs/dbraw/zinc/72/18/38/583721838.db2.gz VPYVNXPAVIAPII-XQQFMLRXSA-N 0 3 236.359 3.684 20 0 BHADHN CCCC[C@@H]1CCC[C@H]1N[C@@H](C)c1ncco1 ZINC000895767099 583722192 /nfs/dbraw/zinc/72/21/92/583722192.db2.gz VPYVNXPAVIAPII-YNEHKIRRSA-N 0 3 236.359 3.684 20 0 BHADHN CC(C)CC(CC(C)C)N[C@H](C)c1ncco1 ZINC000895767474 583723383 /nfs/dbraw/zinc/72/33/83/583723383.db2.gz ZCBIOBOBFAHWED-GFCCVEGCSA-N 0 3 238.375 3.786 20 0 BHADHN CC(C)CC(CC(C)C)N[C@@H](C)c1ncco1 ZINC000895767475 583723533 /nfs/dbraw/zinc/72/35/33/583723533.db2.gz ZCBIOBOBFAHWED-LBPRGKRZSA-N 0 3 238.375 3.786 20 0 BHADHN Cc1oc2ccccc2c1CN(C)CCCF ZINC000895897849 583740654 /nfs/dbraw/zinc/74/06/54/583740654.db2.gz FPUFGZVLERWFLF-UHFFFAOYSA-N 0 3 235.302 3.533 20 0 BHADHN CN(CCCF)Cc1ccc(C(F)F)c(F)c1 ZINC000896069697 583767963 /nfs/dbraw/zinc/76/79/63/583767963.db2.gz HZIKKVPVEATCDC-UHFFFAOYSA-N 0 3 249.251 3.555 20 0 BHADHN C[C@H](Cc1ccsc1)NC(C)(C)/C=C/Cl ZINC000896747396 583830044 /nfs/dbraw/zinc/83/00/44/583830044.db2.gz KZUZNELPVVDHCI-BRAIEQGRSA-N 0 3 243.803 3.800 20 0 BHADHN C[C@@H](Cc1ccsc1)NC(C)(C)/C=C\Cl ZINC000896747397 583830342 /nfs/dbraw/zinc/83/03/42/583830342.db2.gz KZUZNELPVVDHCI-OMMCCPJFSA-N 0 3 243.803 3.800 20 0 BHADHN C[C@@H](Cc1ccsc1)NC(C)(C)/C=C/Cl ZINC000896747398 583830406 /nfs/dbraw/zinc/83/04/06/583830406.db2.gz KZUZNELPVVDHCI-PORFMDCZSA-N 0 3 243.803 3.800 20 0 BHADHN C[C@H](Cc1ccsc1)NC(C)(C)/C=C\Cl ZINC000896747399 583830260 /nfs/dbraw/zinc/83/02/60/583830260.db2.gz KZUZNELPVVDHCI-WWQCOOJYSA-N 0 3 243.803 3.800 20 0 BHADHN CCC[C@](C)(NCc1cc[nH]c1)c1ccccc1 ZINC000897925185 584061077 /nfs/dbraw/zinc/06/10/77/584061077.db2.gz CKZURNASTLXIMD-INIZCTEOSA-N 0 3 242.366 3.820 20 0 BHADHN CCC[C@@](C)(NCc1cc[nH]c1)c1ccccc1 ZINC000897925186 584061019 /nfs/dbraw/zinc/06/10/19/584061019.db2.gz CKZURNASTLXIMD-MRXNPFEDSA-N 0 3 242.366 3.820 20 0 BHADHN C[C@H](NC1CC2(C1)CCCC2)c1cncs1 ZINC000897929836 584061006 /nfs/dbraw/zinc/06/10/06/584061006.db2.gz BLUBCIJSRWVEIO-JTQLQIEISA-N 0 3 236.384 3.517 20 0 BHADHN C[C@@H](NC1CC2(C1)CCCC2)c1cncs1 ZINC000897929837 584061025 /nfs/dbraw/zinc/06/10/25/584061025.db2.gz BLUBCIJSRWVEIO-SNVBAGLBSA-N 0 3 236.384 3.517 20 0 BHADHN CCCCC1(NCc2ncc(CC)s2)CC1 ZINC000897935855 584061868 /nfs/dbraw/zinc/06/18/68/584061868.db2.gz INILLWVMQDYKDG-UHFFFAOYSA-N 0 3 238.400 3.518 20 0 BHADHN CCCCC1(NCc2cc3cccnc3o2)CC1 ZINC000897935997 584062157 /nfs/dbraw/zinc/06/21/57/584062157.db2.gz LJWOTXOQURNHII-UHFFFAOYSA-N 0 3 244.338 3.640 20 0 BHADHN CCCCC1(NCc2cc3cnccc3o2)CC1 ZINC000897936020 584062242 /nfs/dbraw/zinc/06/22/42/584062242.db2.gz LZOXAGOJBKWUCK-UHFFFAOYSA-N 0 3 244.338 3.640 20 0 BHADHN CCCCC1(NCc2cnc(CC)s2)CC1 ZINC000897936113 584062010 /nfs/dbraw/zinc/06/20/10/584062010.db2.gz NHHKABDHDBWPSP-UHFFFAOYSA-N 0 3 238.400 3.518 20 0 BHADHN Cc1coc(CNCC[C@H]2CCC(F)(F)C2)c1 ZINC000898014962 584074198 /nfs/dbraw/zinc/07/41/98/584074198.db2.gz VYJCNZMZUYQLSS-LLVKDONJSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1coc(CNCC[C@@H]2CCC(F)(F)C2)c1 ZINC000898014963 584074056 /nfs/dbraw/zinc/07/40/56/584074056.db2.gz VYJCNZMZUYQLSS-NSHDSACASA-N 0 3 243.297 3.503 20 0 BHADHN Cc1ccoc1CNCC[C@H]1CCC(F)(F)C1 ZINC000898019873 584075918 /nfs/dbraw/zinc/07/59/18/584075918.db2.gz UTLWBBRFXVQFOW-LLVKDONJSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1ccoc1CNCC[C@@H]1CCC(F)(F)C1 ZINC000898019875 584076042 /nfs/dbraw/zinc/07/60/42/584076042.db2.gz UTLWBBRFXVQFOW-NSHDSACASA-N 0 3 243.297 3.503 20 0 BHADHN Cc1ccc(CNCC[C@H]2CCC(F)(F)C2)o1 ZINC000898019882 584075739 /nfs/dbraw/zinc/07/57/39/584075739.db2.gz UYQVAUKSOWSZBC-LLVKDONJSA-N 0 3 243.297 3.503 20 0 BHADHN Cc1ccc(CNCC[C@@H]2CCC(F)(F)C2)o1 ZINC000898019884 584075684 /nfs/dbraw/zinc/07/56/84/584075684.db2.gz UYQVAUKSOWSZBC-NSHDSACASA-N 0 3 243.297 3.503 20 0 BHADHN Cc1noc(C)c1CNC[C@H]1CCC=CCCC1 ZINC000898031482 584077491 /nfs/dbraw/zinc/07/74/91/584077491.db2.gz DKEUTNZFMLHENN-AWEZNQCLSA-N 0 3 248.370 3.518 20 0 BHADHN Cc1noc(C)c1CNC[C@@H]1CCC=CCCC1 ZINC000898031483 584077665 /nfs/dbraw/zinc/07/76/65/584077665.db2.gz DKEUTNZFMLHENN-CQSZACIVSA-N 0 3 248.370 3.518 20 0 BHADHN FC1(F)CCC(CCNCc2ccoc2)CC1 ZINC000898031563 584077190 /nfs/dbraw/zinc/07/71/90/584077190.db2.gz IUZLVZZMEAPYKQ-UHFFFAOYSA-N 0 3 243.297 3.585 20 0 BHADHN FC1(F)CCC(CCNCc2ccco2)CC1 ZINC000898031589 584077658 /nfs/dbraw/zinc/07/76/58/584077658.db2.gz JMTUQAMIQIXECQ-UHFFFAOYSA-N 0 3 243.297 3.585 20 0 BHADHN Cc1nc(C)c(CNC[C@H]2CCC=CCCC2)o1 ZINC000898032404 584078163 /nfs/dbraw/zinc/07/81/63/584078163.db2.gz PVJUKQKAQPAKDH-AWEZNQCLSA-N 0 3 248.370 3.518 20 0 BHADHN Cc1nc(C)c(CNC[C@@H]2CCC=CCCC2)o1 ZINC000898032405 584078332 /nfs/dbraw/zinc/07/83/32/584078332.db2.gz PVJUKQKAQPAKDH-CQSZACIVSA-N 0 3 248.370 3.518 20 0 BHADHN CSCC(C)(C)NCc1cscc1Cl ZINC000898305498 584109114 /nfs/dbraw/zinc/10/91/14/584109114.db2.gz GIDAKYGTPWXTCP-UHFFFAOYSA-N 0 3 249.832 3.633 20 0 BHADHN CSCC(C)(C)NCc1cc(Cl)cs1 ZINC000898305606 584108851 /nfs/dbraw/zinc/10/88/51/584108851.db2.gz KTOLVTWSHIVIFS-UHFFFAOYSA-N 0 3 249.832 3.633 20 0 BHADHN Cc1ccccc1C1CC(NC/C=C\Cl)C1 ZINC000898433106 584135042 /nfs/dbraw/zinc/13/50/42/584135042.db2.gz LCBLEWSTEYTSQL-DAXSKMNVSA-N 0 3 235.758 3.583 20 0 BHADHN Cc1ccccc1C1CC(NC/C=C/Cl)C1 ZINC000898433108 584134800 /nfs/dbraw/zinc/13/48/00/584134800.db2.gz LCBLEWSTEYTSQL-QPJJXVBHSA-N 0 3 235.758 3.583 20 0 BHADHN Cc1ccc(C2CC(NC/C=C/Cl)C2)cc1 ZINC000898433282 584135044 /nfs/dbraw/zinc/13/50/44/584135044.db2.gz LTJACYGWWOORSO-FARCUNLSSA-N 0 3 235.758 3.583 20 0 BHADHN Cc1ccc(C2CC(NC/C=C\Cl)C2)cc1 ZINC000898433283 584135411 /nfs/dbraw/zinc/13/54/11/584135411.db2.gz LTJACYGWWOORSO-UQCOIBPSSA-N 0 3 235.758 3.583 20 0 BHADHN Cc1ccccc1-c1cc(CNC(C)(C)C)on1 ZINC000901386568 584436208 /nfs/dbraw/zinc/43/62/08/584436208.db2.gz CNWSZVGLTDRVDH-UHFFFAOYSA-N 0 3 244.338 3.538 20 0 BHADHN CN[C@H](C)c1cc(-c2ccc(C(C)C)cc2)no1 ZINC000901389643 584437358 /nfs/dbraw/zinc/43/73/58/584437358.db2.gz FGXLEBVKJRYZSR-LLVKDONJSA-N 0 3 244.338 3.745 20 0 BHADHN CN[C@@H](C)c1cc(-c2ccc(C(C)C)cc2)no1 ZINC000901389644 584437362 /nfs/dbraw/zinc/43/73/62/584437362.db2.gz FGXLEBVKJRYZSR-NSHDSACASA-N 0 3 244.338 3.745 20 0 BHADHN CNc1ccccc1CN[C@H](C)c1ccccc1 ZINC000902028399 584513160 /nfs/dbraw/zinc/51/31/60/584513160.db2.gz QDWQQJJKFOXPKB-CYBMUJFWSA-N 0 3 240.350 3.579 20 0 BHADHN CNc1ccccc1CN[C@@H](C)c1ccccc1 ZINC000902028401 584513239 /nfs/dbraw/zinc/51/32/39/584513239.db2.gz QDWQQJJKFOXPKB-ZDUSSCGKSA-N 0 3 240.350 3.579 20 0 BHADHN CNc1ccccc1CN[C@H](C)c1ccsc1 ZINC000902537400 584628394 /nfs/dbraw/zinc/62/83/94/584628394.db2.gz NOAJVRFSIFRTIL-LLVKDONJSA-N 0 3 246.379 3.641 20 0 BHADHN CNc1ccccc1CN[C@@H](C)c1ccsc1 ZINC000902537402 584628344 /nfs/dbraw/zinc/62/83/44/584628344.db2.gz NOAJVRFSIFRTIL-NSHDSACASA-N 0 3 246.379 3.641 20 0 BHADHN CCCCC1(N[C@H](C)c2cncc(F)c2)CC1 ZINC000902690018 584656631 /nfs/dbraw/zinc/65/66/31/584656631.db2.gz BVJDSJHQSTYPMQ-LLVKDONJSA-N 0 3 236.334 3.594 20 0 BHADHN CCCCC1(N[C@@H](C)c2cncc(F)c2)CC1 ZINC000902690019 584656557 /nfs/dbraw/zinc/65/65/57/584656557.db2.gz BVJDSJHQSTYPMQ-NSHDSACASA-N 0 3 236.334 3.594 20 0 BHADHN CCCCN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902720093 584659545 /nfs/dbraw/zinc/65/95/45/584659545.db2.gz BYTZEEHPKCKFRY-SECBINFHSA-N 0 3 246.276 3.551 20 0 BHADHN CCCCN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902720094 584659510 /nfs/dbraw/zinc/65/95/10/584659510.db2.gz BYTZEEHPKCKFRY-VIFPVBQESA-N 0 3 246.276 3.551 20 0 BHADHN CC[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902721148 584659971 /nfs/dbraw/zinc/65/99/71/584659971.db2.gz UVDWGCBIRMJETP-BDAKNGLRSA-N 0 3 246.276 3.550 20 0 BHADHN CC[C@H](C)N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902721150 584659729 /nfs/dbraw/zinc/65/97/29/584659729.db2.gz UVDWGCBIRMJETP-DTWKUNHWSA-N 0 3 246.276 3.550 20 0 BHADHN CC[C@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902721151 584659796 /nfs/dbraw/zinc/65/97/96/584659796.db2.gz UVDWGCBIRMJETP-IUCAKERBSA-N 0 3 246.276 3.550 20 0 BHADHN CC[C@@H](C)N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902721153 584660007 /nfs/dbraw/zinc/66/00/07/584660007.db2.gz UVDWGCBIRMJETP-RKDXNWHRSA-N 0 3 246.276 3.550 20 0 BHADHN Cc1noc(C)c1[C@@H](C)N[C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902804054 584671371 /nfs/dbraw/zinc/67/13/71/584671371.db2.gz MIKSGDGHIJFVEJ-WBMYTEFPSA-N 0 3 248.370 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)N[C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902804055 584671402 /nfs/dbraw/zinc/67/14/02/584671402.db2.gz MIKSGDGHIJFVEJ-WTDIUWLJSA-N 0 3 248.370 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)NC1C[C@@H]2CCC[C@H]2C1 ZINC000902804056 584671164 /nfs/dbraw/zinc/67/11/64/584671164.db2.gz MIKSGDGHIJFVEJ-XDTLVQLUSA-N 0 3 248.370 3.521 20 0 BHADHN Cc1noc(C)c1[C@H](C)NC1C[C@H]2CCC[C@@H]2C1 ZINC000902804057 584671238 /nfs/dbraw/zinc/67/12/38/584671238.db2.gz MIKSGDGHIJFVEJ-ZWKOPEQDSA-N 0 3 248.370 3.521 20 0 BHADHN CC(C)C[C@@H]1C[C@H]1N[C@H](c1ccccn1)C1CC1 ZINC000903185662 584733406 /nfs/dbraw/zinc/73/34/06/584733406.db2.gz KHZXXPPZPZZUIK-BMFZPTHFSA-N 0 3 244.382 3.557 20 0 BHADHN CC(C)C[C@@H]1C[C@H]1N[C@@H](c1ccccn1)C1CC1 ZINC000903185663 584733656 /nfs/dbraw/zinc/73/36/56/584733656.db2.gz KHZXXPPZPZZUIK-FVQBIDKESA-N 0 3 244.382 3.557 20 0 BHADHN Cc1csc([C@H](C)NCC(C)(C)C2CC2)n1 ZINC000903240292 584738139 /nfs/dbraw/zinc/73/81/39/584738139.db2.gz QMRULKCYONTVOG-JTQLQIEISA-N 0 3 238.400 3.538 20 0 BHADHN Cc1csc([C@@H](C)NCC(C)(C)C2CC2)n1 ZINC000903240293 584738196 /nfs/dbraw/zinc/73/81/96/584738196.db2.gz QMRULKCYONTVOG-SNVBAGLBSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@@H](C)NCC(C)(C)C2CC2)cs1 ZINC000903244147 584738449 /nfs/dbraw/zinc/73/84/49/584738449.db2.gz NATGTONHBFBWMD-SECBINFHSA-N 0 3 238.400 3.538 20 0 BHADHN Cc1nc([C@H](C)NCC(C)(C)C2CC2)cs1 ZINC000903244148 584738580 /nfs/dbraw/zinc/73/85/80/584738580.db2.gz NATGTONHBFBWMD-VIFPVBQESA-N 0 3 238.400 3.538 20 0 BHADHN CCC[C@@H](N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccn1 ZINC000903253019 584738985 /nfs/dbraw/zinc/73/89/85/584738985.db2.gz HWKBNENVHOLGFU-CNRIWFPOSA-N 0 3 244.382 3.557 20 0 BHADHN CCC[C@H](N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccn1 ZINC000903253020 584738973 /nfs/dbraw/zinc/73/89/73/584738973.db2.gz HWKBNENVHOLGFU-XYTFPVCRSA-N 0 3 244.382 3.557 20 0 BHADHN C[C@@H](N[C@@H]1CCSC(C)(C)C1)c1ccco1 ZINC000903282130 584742820 /nfs/dbraw/zinc/74/28/20/584742820.db2.gz ALZCGHBGRQWESI-GHMZBOCLSA-N 0 3 239.384 3.604 20 0 BHADHN C[C@@H](N[C@H]1CCSC(C)(C)C1)c1ccco1 ZINC000903282131 584742978 /nfs/dbraw/zinc/74/29/78/584742978.db2.gz ALZCGHBGRQWESI-MNOVXSKESA-N 0 3 239.384 3.604 20 0 BHADHN C[C@H](N[C@H]1CCSC(C)(C)C1)c1ccco1 ZINC000903282132 584742767 /nfs/dbraw/zinc/74/27/67/584742767.db2.gz ALZCGHBGRQWESI-QWRGUYRKSA-N 0 3 239.384 3.604 20 0 BHADHN C[C@H](N[C@@H]1CCSC(C)(C)C1)c1ccco1 ZINC000903282133 584742985 /nfs/dbraw/zinc/74/29/85/584742985.db2.gz ALZCGHBGRQWESI-WDEREUQCSA-N 0 3 239.384 3.604 20 0 BHADHN CCCCC1(N[C@H](C)c2ccoc2)CC1 ZINC000903308648 584747771 /nfs/dbraw/zinc/74/77/71/584747771.db2.gz APXSUYANJSXDRL-LLVKDONJSA-N 0 3 207.317 3.653 20 0 BHADHN CCCCC1(N[C@@H](C)c2ccoc2)CC1 ZINC000903308649 584747909 /nfs/dbraw/zinc/74/79/09/584747909.db2.gz APXSUYANJSXDRL-NSHDSACASA-N 0 3 207.317 3.653 20 0 BHADHN CCCCC1(N[C@H]2CCCc3cccnc32)CC1 ZINC000903310515 584748284 /nfs/dbraw/zinc/74/82/84/584748284.db2.gz KEFXXNRQDMMALW-AWEZNQCLSA-N 0 3 244.382 3.771 20 0 BHADHN CCCCC1(N[C@@H]2CCCc3cccnc32)CC1 ZINC000903310516 584748186 /nfs/dbraw/zinc/74/81/86/584748186.db2.gz KEFXXNRQDMMALW-CQSZACIVSA-N 0 3 244.382 3.771 20 0 BHADHN CCCCC1(N[C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000903310728 584748310 /nfs/dbraw/zinc/74/83/10/584748310.db2.gz KRXCEBHRIHQWFG-CYBMUJFWSA-N 0 3 249.402 3.837 20 0 BHADHN CCCCC1(N[C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000903310732 584748224 /nfs/dbraw/zinc/74/82/24/584748224.db2.gz KRXCEBHRIHQWFG-ZDUSSCGKSA-N 0 3 249.402 3.837 20 0 BHADHN CCCCC1(N[C@@H](C)c2cncs2)CC1 ZINC000903310745 584748150 /nfs/dbraw/zinc/74/81/50/584748150.db2.gz LBZQARFYDSMBOE-JTQLQIEISA-N 0 3 224.373 3.517 20 0 BHADHN CCCCC1(N[C@H](C)c2cncs2)CC1 ZINC000903310747 584748019 /nfs/dbraw/zinc/74/80/19/584748019.db2.gz LBZQARFYDSMBOE-SNVBAGLBSA-N 0 3 224.373 3.517 20 0 BHADHN CCCCC1(N[C@H](C)c2ccco2)CC1 ZINC000903310748 584748319 /nfs/dbraw/zinc/74/83/19/584748319.db2.gz LCMBOCMHNUMSPI-LLVKDONJSA-N 0 3 207.317 3.653 20 0 BHADHN CCCCC1(N[C@@H](C)c2ccco2)CC1 ZINC000903310750 584748157 /nfs/dbraw/zinc/74/81/57/584748157.db2.gz LCMBOCMHNUMSPI-NSHDSACASA-N 0 3 207.317 3.653 20 0 BHADHN CCCCC1(N[C@@H](C)c2cnc(C)s2)CC1 ZINC000903311329 584748201 /nfs/dbraw/zinc/74/82/01/584748201.db2.gz NXQNEFUNDNFLGU-JTQLQIEISA-N 0 3 238.400 3.825 20 0 BHADHN CCCCC1(N[C@H](C)c2cnc(C)s2)CC1 ZINC000903311330 584748033 /nfs/dbraw/zinc/74/80/33/584748033.db2.gz NXQNEFUNDNFLGU-SNVBAGLBSA-N 0 3 238.400 3.825 20 0 BHADHN CCCCC1(N[C@H](C)c2ccc(F)cn2)CC1 ZINC000903312417 584748147 /nfs/dbraw/zinc/74/81/47/584748147.db2.gz VVNNWYNOYVSBGB-LLVKDONJSA-N 0 3 236.334 3.594 20 0 BHADHN CCCCC1(N[C@@H](C)c2ccc(F)cn2)CC1 ZINC000903312487 584748229 /nfs/dbraw/zinc/74/82/29/584748229.db2.gz VVNNWYNOYVSBGB-NSHDSACASA-N 0 3 236.334 3.594 20 0 BHADHN CCCCC1(N[C@@H](C)c2ccns2)CC1 ZINC000903313371 584748612 /nfs/dbraw/zinc/74/86/12/584748612.db2.gz OIEYHNWJBWLXJZ-JTQLQIEISA-N 0 3 224.373 3.517 20 0 BHADHN CCCCC1(N[C@H](C)c2ccns2)CC1 ZINC000903313372 584748683 /nfs/dbraw/zinc/74/86/83/584748683.db2.gz OIEYHNWJBWLXJZ-SNVBAGLBSA-N 0 3 224.373 3.517 20 0 BHADHN CCCCC1(N[C@H](C)c2nc(C)cs2)CC1 ZINC000903313400 584748616 /nfs/dbraw/zinc/74/86/16/584748616.db2.gz PCKUTNSBLUNHOY-LLVKDONJSA-N 0 3 238.400 3.825 20 0 BHADHN CCCCC1(N[C@@H](C)c2nc(C)cs2)CC1 ZINC000903313401 584748787 /nfs/dbraw/zinc/74/87/87/584748787.db2.gz PCKUTNSBLUNHOY-NSHDSACASA-N 0 3 238.400 3.825 20 0 BHADHN C[C@@H](NCC[C@H]1CCC(F)(F)C1)c1ccco1 ZINC000903334253 584751538 /nfs/dbraw/zinc/75/15/38/584751538.db2.gz YWSGOGFOHSAFEY-GHMZBOCLSA-N 0 3 243.297 3.756 20 0 BHADHN C[C@@H](NCC[C@@H]1CCC(F)(F)C1)c1ccco1 ZINC000903334254 584751340 /nfs/dbraw/zinc/75/13/40/584751340.db2.gz YWSGOGFOHSAFEY-MNOVXSKESA-N 0 3 243.297 3.756 20 0 BHADHN C[C@H](NCC[C@@H]1CCC(F)(F)C1)c1ccco1 ZINC000903334255 584751330 /nfs/dbraw/zinc/75/13/30/584751330.db2.gz YWSGOGFOHSAFEY-QWRGUYRKSA-N 0 3 243.297 3.756 20 0 BHADHN C[C@H](NCC[C@H]1CCC(F)(F)C1)c1ccco1 ZINC000903334256 584751184 /nfs/dbraw/zinc/75/11/84/584751184.db2.gz YWSGOGFOHSAFEY-WDEREUQCSA-N 0 3 243.297 3.756 20 0 BHADHN CC(C)C1CC(N[C@H](c2ccccn2)C2CC2)C1 ZINC000903335208 584751387 /nfs/dbraw/zinc/75/13/87/584751387.db2.gz MIEYHTZPRLYNHW-XUJLQICISA-N 0 3 244.382 3.557 20 0 BHADHN CC(C)C1CC(N[C@@H](c2ccccn2)C2CC2)C1 ZINC000903335209 584751606 /nfs/dbraw/zinc/75/16/06/584751606.db2.gz MIEYHTZPRLYNHW-ZBCRRDGASA-N 0 3 244.382 3.557 20 0 BHADHN Cc1cc([C@H](C)NC[C@H]2CCC=CCCC2)no1 ZINC000903347267 584752935 /nfs/dbraw/zinc/75/29/35/584752935.db2.gz ZLKSNXUKJOYDDH-KBPBESRZSA-N 0 3 248.370 3.770 20 0 BHADHN Cc1cc([C@@H](C)NC[C@H]2CCC=CCCC2)no1 ZINC000903347268 584753132 /nfs/dbraw/zinc/75/31/32/584753132.db2.gz ZLKSNXUKJOYDDH-KGLIPLIRSA-N 0 3 248.370 3.770 20 0 BHADHN Cc1cc([C@H](C)NC[C@@H]2CCC=CCCC2)no1 ZINC000903347269 584753208 /nfs/dbraw/zinc/75/32/08/584753208.db2.gz ZLKSNXUKJOYDDH-UONOGXRCSA-N 0 3 248.370 3.770 20 0 BHADHN Cc1cc([C@@H](C)NC[C@@H]2CCC=CCCC2)no1 ZINC000903347270 584752938 /nfs/dbraw/zinc/75/29/38/584752938.db2.gz ZLKSNXUKJOYDDH-ZIAGYGMSSA-N 0 3 248.370 3.770 20 0 BHADHN C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1cccc([O-])c1F ZINC000903415224 584760173 /nfs/dbraw/zinc/76/01/73/584760173.db2.gz ZVICPFGUAONULO-NQBHXWOUSA-N 0 3 249.329 3.537 20 0 BHADHN C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1cccc([O-])c1F ZINC000903415225 584760286 /nfs/dbraw/zinc/76/02/86/584760286.db2.gz ZVICPFGUAONULO-NTZNESFSSA-N 0 3 249.329 3.537 20 0 BHADHN Cl/C=C/CN[C@@H]1CCSc2ccccc21 ZINC000903441936 584767429 /nfs/dbraw/zinc/76/74/29/584767429.db2.gz HTBPGJMBKGMKEL-CGAJTASUSA-N 0 3 239.771 3.566 20 0 BHADHN Cl/C=C\CN[C@@H]1CCSc2ccccc21 ZINC000903441937 584767664 /nfs/dbraw/zinc/76/76/64/584767664.db2.gz HTBPGJMBKGMKEL-KGHNQEBZSA-N 0 3 239.771 3.566 20 0 BHADHN Cl/C=C/CN[C@H]1CCSc2ccccc21 ZINC000903441938 584767233 /nfs/dbraw/zinc/76/72/33/584767233.db2.gz HTBPGJMBKGMKEL-KTROKBFUSA-N 0 3 239.771 3.566 20 0 BHADHN Cl/C=C\CN[C@H]1CCSc2ccccc21 ZINC000903441939 584767242 /nfs/dbraw/zinc/76/72/42/584767242.db2.gz HTBPGJMBKGMKEL-UFVHFEBBSA-N 0 3 239.771 3.566 20 0 BHADHN CC(C)C[C@@H](NC/C=C\Cl)c1ccncc1 ZINC000903443732 584768579 /nfs/dbraw/zinc/76/85/79/584768579.db2.gz KDTNDDLWIATUFN-ACVFHECNSA-N 0 3 238.762 3.511 20 0 BHADHN CC(C)C[C@H](NC/C=C\Cl)c1ccncc1 ZINC000903443733 584768469 /nfs/dbraw/zinc/76/84/69/584768469.db2.gz KDTNDDLWIATUFN-RJNRQISESA-N 0 3 238.762 3.511 20 0 BHADHN CC(C)C[C@@H](NC/C=C/Cl)c1ccncc1 ZINC000903443734 584768823 /nfs/dbraw/zinc/76/88/23/584768823.db2.gz KDTNDDLWIATUFN-VUUYWXRKSA-N 0 3 238.762 3.511 20 0 BHADHN CC(C)C[C@H](NC/C=C/Cl)c1ccncc1 ZINC000903443735 584768827 /nfs/dbraw/zinc/76/88/27/584768827.db2.gz KDTNDDLWIATUFN-YIALFULDSA-N 0 3 238.762 3.511 20 0 BHADHN CC[C@H](NC/C=C\Cl)c1ccsc1 ZINC000903444331 584769242 /nfs/dbraw/zinc/76/92/42/584769242.db2.gz OTNSEPUGFNZBBM-ATPLWMGHSA-N 0 3 215.749 3.541 20 0 BHADHN CC[C@H](NC/C=C/Cl)c1ccsc1 ZINC000903444332 584769286 /nfs/dbraw/zinc/76/92/86/584769286.db2.gz OTNSEPUGFNZBBM-GFAPAMAISA-N 0 3 215.749 3.541 20 0 BHADHN CC[C@@H](NC/C=C/Cl)c1ccsc1 ZINC000903444333 584769255 /nfs/dbraw/zinc/76/92/55/584769255.db2.gz OTNSEPUGFNZBBM-RXNUUUNCSA-N 0 3 215.749 3.541 20 0 BHADHN CC[C@@H](NC/C=C\Cl)c1ccsc1 ZINC000903444334 584769651 /nfs/dbraw/zinc/76/96/51/584769651.db2.gz OTNSEPUGFNZBBM-TZGMSPROSA-N 0 3 215.749 3.541 20 0 BHADHN C[C@@H](NC1(C2CCCCC2)CC1)c1ccccn1 ZINC000903447883 584770785 /nfs/dbraw/zinc/77/07/85/584770785.db2.gz FFSOGOMTEYRMMO-CYBMUJFWSA-N 0 3 244.382 3.845 20 0 BHADHN C[C@H](NC1(C2CCCCC2)CC1)c1ccccn1 ZINC000903447884 584770874 /nfs/dbraw/zinc/77/08/74/584770874.db2.gz FFSOGOMTEYRMMO-ZDUSSCGKSA-N 0 3 244.382 3.845 20 0 BHADHN CCCN(C/C=C/Cl)Cc1ccc(C)cc1 ZINC000913395655 640366324 /nfs/dbraw/zinc/36/63/24/640366324.db2.gz NXMCHQQABGDEHT-RUDMXATFSA-N 0 3 237.774 3.960 20 0 BHADHN CCCN(C/C=C\Cl)Cc1ccc(C)cc1 ZINC000913395656 640366022 /nfs/dbraw/zinc/36/60/22/640366022.db2.gz NXMCHQQABGDEHT-WTKPLQERSA-N 0 3 237.774 3.960 20 0 BHADHN CC(C)N(C/C=C/Cl)Cc1ccccc1 ZINC000914816211 641769932 /nfs/dbraw/zinc/76/99/32/641769932.db2.gz LTQQREUTALTENE-RMKNXTFCSA-N 0 3 223.747 3.650 20 0 BHADHN CC(C)N(C/C=C\Cl)Cc1ccccc1 ZINC000914816212 641770464 /nfs/dbraw/zinc/77/04/64/641770464.db2.gz LTQQREUTALTENE-TWGQIWQCSA-N 0 3 223.747 3.650 20 0 BHADHN CN(C/C=C\Cl)CCCCc1ccccc1 ZINC000917063804 641999257 /nfs/dbraw/zinc/99/92/57/641999257.db2.gz JVSYWXOTQRDYAL-XFFZJAGNSA-N 0 3 237.774 3.694 20 0 BHADHN Cc1cccc([C@@H]2CCCN2C/C=C/Cl)c1 ZINC000917985637 642149673 /nfs/dbraw/zinc/14/96/73/642149673.db2.gz ZAIVNSFWXWLAHD-PXYYCUNGSA-N 0 3 235.758 3.884 20 0 BHADHN Cc1cccc([C@H]2CCCN2C/C=C\Cl)c1 ZINC000917985638 642150207 /nfs/dbraw/zinc/15/02/07/642150207.db2.gz ZAIVNSFWXWLAHD-SMGNDMQFSA-N 0 3 235.758 3.884 20 0 BHADHN Cc1cccc([C@@H]2CCCN2C/C=C\Cl)c1 ZINC000917985640 642149693 /nfs/dbraw/zinc/14/96/93/642149693.db2.gz ZAIVNSFWXWLAHD-VCDPDADVSA-N 0 3 235.758 3.884 20 0 BHADHN Cc1cccc([C@H]2CCCN2C/C=C/Cl)c1 ZINC000917985641 642150954 /nfs/dbraw/zinc/15/09/54/642150954.db2.gz ZAIVNSFWXWLAHD-YOIVXCQUSA-N 0 3 235.758 3.884 20 0 BHADHN CC(C)(/C=C\Cl)NCc1ccc2cc[nH]c2c1 ZINC000922644451 644049304 /nfs/dbraw/zinc/04/93/04/644049304.db2.gz IOZQKVFFRAWYIC-SREVYHEPSA-N 0 3 248.757 3.789 20 0 BHADHN CC(C)(/C=C/Cl)NCc1ccc2cc[nH]c2c1 ZINC000922644452 644048818 /nfs/dbraw/zinc/04/88/18/644048818.db2.gz IOZQKVFFRAWYIC-VOTSOKGWSA-N 0 3 248.757 3.789 20 0 BHADHN CC(C)(/C=C/Cl)NCc1cc2ccccc2[nH]1 ZINC000922648249 644052751 /nfs/dbraw/zinc/05/27/51/644052751.db2.gz GCEBJEJLUMUVTH-BQYQJAHWSA-N 0 3 248.757 3.789 20 0 BHADHN CC(C)(/C=C\Cl)NCc1cc2ccccc2[nH]1 ZINC000922648250 644052870 /nfs/dbraw/zinc/05/28/70/644052870.db2.gz GCEBJEJLUMUVTH-FPLPWBNLSA-N 0 3 248.757 3.789 20 0 BHADHN Cc1sccc1CNC(C)(C)/C=C/Cl ZINC000922648480 644052848 /nfs/dbraw/zinc/05/28/48/644052848.db2.gz LATSOPXPRZSNDR-AATRIKPKSA-N 0 3 229.776 3.677 20 0 BHADHN Cc1sccc1CNC(C)(C)/C=C\Cl ZINC000922648481 644053213 /nfs/dbraw/zinc/05/32/13/644053213.db2.gz LATSOPXPRZSNDR-WAYWQWQTSA-N 0 3 229.776 3.677 20 0 BHADHN CC(C)(/C=C\Cl)NCc1ccc2[nH]ccc2c1 ZINC000922648533 644053417 /nfs/dbraw/zinc/05/34/17/644053417.db2.gz MYLGXABBPBXCLO-SREVYHEPSA-N 0 3 248.757 3.789 20 0 BHADHN CC(C)(/C=C/Cl)NCc1ccc2[nH]ccc2c1 ZINC000922648534 644053356 /nfs/dbraw/zinc/05/33/56/644053356.db2.gz MYLGXABBPBXCLO-VOTSOKGWSA-N 0 3 248.757 3.789 20 0 BHADHN CC(C)(/C=C/Cl)NCc1cccc2cc[nH]c21 ZINC000922649800 644058458 /nfs/dbraw/zinc/05/84/58/644058458.db2.gz YGMOZFXJQUQDBF-BQYQJAHWSA-N 0 3 248.757 3.789 20 0 BHADHN CC(C)(/C=C\Cl)NCc1cccc2cc[nH]c21 ZINC000922649801 644057444 /nfs/dbraw/zinc/05/74/44/644057444.db2.gz YGMOZFXJQUQDBF-FPLPWBNLSA-N 0 3 248.757 3.789 20 0 BHADHN Cc1ccsc1CNC(C)(C)/C=C/Cl ZINC000922650198 644058168 /nfs/dbraw/zinc/05/81/68/644058168.db2.gz MZBGURKJRRLUNU-AATRIKPKSA-N 0 3 229.776 3.677 20 0 BHADHN Cc1ccsc1CNC(C)(C)/C=C\Cl ZINC000922650200 644057417 /nfs/dbraw/zinc/05/74/17/644057417.db2.gz MZBGURKJRRLUNU-WAYWQWQTSA-N 0 3 229.776 3.677 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2NC1CCCCCC1 ZINC000924534685 632761588 /nfs/dbraw/zinc/76/15/88/632761588.db2.gz HRDBQSOYJLCKTF-CYBMUJFWSA-N 0 3 248.370 3.673 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2NC1CCCCCC1 ZINC000924534686 632762007 /nfs/dbraw/zinc/76/20/07/632762007.db2.gz HRDBQSOYJLCKTF-ZDUSSCGKSA-N 0 3 248.370 3.673 20 0 BHADHN CCCCCCN[C@@H]1CCCc2oc(C)nc21 ZINC000924538665 646057433 /nfs/dbraw/zinc/05/74/33/646057433.db2.gz LJYOZKMNHFVPEC-GFCCVEGCSA-N 0 3 236.359 3.530 20 0 BHADHN CCCCCCN[C@H]1CCCc2oc(C)nc21 ZINC000924538666 646057935 /nfs/dbraw/zinc/05/79/35/646057935.db2.gz LJYOZKMNHFVPEC-LBPRGKRZSA-N 0 3 236.359 3.530 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2NCC1CCCCC1 ZINC000924540906 632785011 /nfs/dbraw/zinc/78/50/11/632785011.db2.gz ZZQWQXWKGNDQHO-CYBMUJFWSA-N 0 3 248.370 3.530 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2NCC1CCCCC1 ZINC000924540907 632784355 /nfs/dbraw/zinc/78/43/55/632784355.db2.gz ZZQWQXWKGNDQHO-ZDUSSCGKSA-N 0 3 248.370 3.530 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2NCCC1CCCC1 ZINC000924603267 646075723 /nfs/dbraw/zinc/07/57/23/646075723.db2.gz GSPUYHCNCOOCCP-CYBMUJFWSA-N 0 3 248.370 3.530 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2NCCC1CCCC1 ZINC000924603270 646075212 /nfs/dbraw/zinc/07/52/12/646075212.db2.gz GSPUYHCNCOOCCP-ZDUSSCGKSA-N 0 3 248.370 3.530 20 0 BHADHN CCC[C@@H](NCC1CC1)c1ncccc1Cl ZINC000924627708 646080909 /nfs/dbraw/zinc/08/09/09/646080909.db2.gz CPONHXGVSVMEBV-GFCCVEGCSA-N 0 3 238.762 3.576 20 0 BHADHN CCC[C@H](NCC1CC1)c1ncccc1Cl ZINC000924627709 646081895 /nfs/dbraw/zinc/08/18/95/646081895.db2.gz CPONHXGVSVMEBV-LBPRGKRZSA-N 0 3 238.762 3.576 20 0 BHADHN Cc1cccc2c1[C@@H](NCc1ccsc1)CC2 ZINC000924666251 646088284 /nfs/dbraw/zinc/08/82/84/646088284.db2.gz VMNAEXIWRXZMNP-AWEZNQCLSA-N 0 3 243.375 3.834 20 0 BHADHN Cc1cccc2c1[C@H](NCc1ccsc1)CC2 ZINC000924666252 646088672 /nfs/dbraw/zinc/08/86/72/646088672.db2.gz VMNAEXIWRXZMNP-CQSZACIVSA-N 0 3 243.375 3.834 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCC[C@H](C)C1 ZINC000924793272 637388173 /nfs/dbraw/zinc/38/81/73/637388173.db2.gz GYWLCDZOPUCANH-DRZSPHRISA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCC[C@@H](C)C1 ZINC000924793273 637388267 /nfs/dbraw/zinc/38/82/67/637388267.db2.gz GYWLCDZOPUCANH-RTXFEEFZSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCC[C@H](C)C1 ZINC000924793426 637388235 /nfs/dbraw/zinc/38/82/35/637388235.db2.gz GYWLCDZOPUCANH-UHTWSYAYSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCC[C@@H](C)C1 ZINC000924793436 637388150 /nfs/dbraw/zinc/38/81/50/637388150.db2.gz GYWLCDZOPUCANH-WXHSDQCUSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1occc1CN[C@H]1CCc2cccc(C)c21 ZINC000924824304 646113579 /nfs/dbraw/zinc/11/35/79/646113579.db2.gz FYXKYNRBGWKXSK-HNNXBMFYSA-N 0 3 241.334 3.674 20 0 BHADHN Cc1occc1CN[C@@H]1CCc2cccc(C)c21 ZINC000924824307 646113192 /nfs/dbraw/zinc/11/31/92/646113192.db2.gz FYXKYNRBGWKXSK-OAHLLOKOSA-N 0 3 241.334 3.674 20 0 BHADHN CC(C)C(C(C)C)[C@@H](C)NCc1cscn1 ZINC000924873255 646123422 /nfs/dbraw/zinc/12/34/22/646123422.db2.gz QYKHMGQBWVULCE-LLVKDONJSA-N 0 3 240.416 3.549 20 0 BHADHN CC(C)C(C(C)C)[C@H](C)NCc1cscn1 ZINC000924873256 646123027 /nfs/dbraw/zinc/12/30/27/646123027.db2.gz QYKHMGQBWVULCE-NSHDSACASA-N 0 3 240.416 3.549 20 0 BHADHN CC[C@H](N[C@@H](C)c1ncco1)C1CCCCC1 ZINC000924897998 646127469 /nfs/dbraw/zinc/12/74/69/646127469.db2.gz RIXXASIXGPGCEJ-AAEUAGOBSA-N 0 3 236.359 3.684 20 0 BHADHN CC[C@@H](N[C@H](C)c1ncco1)C1CCCCC1 ZINC000924897999 646128492 /nfs/dbraw/zinc/12/84/92/646128492.db2.gz RIXXASIXGPGCEJ-DGCLKSJQSA-N 0 3 236.359 3.684 20 0 BHADHN CC[C@@H](N[C@@H](C)c1ncco1)C1CCCCC1 ZINC000924898000 646127855 /nfs/dbraw/zinc/12/78/55/646127855.db2.gz RIXXASIXGPGCEJ-WCQYABFASA-N 0 3 236.359 3.684 20 0 BHADHN CC[C@H](N[C@H](C)c1ncco1)C1CCCCC1 ZINC000924898001 646129040 /nfs/dbraw/zinc/12/90/40/646129040.db2.gz RIXXASIXGPGCEJ-YPMHNXCESA-N 0 3 236.359 3.684 20 0 BHADHN CCC[C@@H]1CCCC[C@H]1N[C@H](C)c1ncco1 ZINC000924934006 635780929 /nfs/dbraw/zinc/78/09/29/635780929.db2.gz VOWWWYCDLWXZSK-JHJVBQTASA-N 0 3 236.359 3.684 20 0 BHADHN CCC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ncco1 ZINC000924934007 635781063 /nfs/dbraw/zinc/78/10/63/635781063.db2.gz VOWWWYCDLWXZSK-UPJWGTAASA-N 0 3 236.359 3.684 20 0 BHADHN CCC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ncco1 ZINC000924934008 635780917 /nfs/dbraw/zinc/78/09/17/635780917.db2.gz VOWWWYCDLWXZSK-XQQFMLRXSA-N 0 3 236.359 3.684 20 0 BHADHN CCC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncco1 ZINC000924934009 635780952 /nfs/dbraw/zinc/78/09/52/635780952.db2.gz VOWWWYCDLWXZSK-YNEHKIRRSA-N 0 3 236.359 3.684 20 0 BHADHN CC(C)[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ncco1 ZINC000924939951 646134324 /nfs/dbraw/zinc/13/43/24/646134324.db2.gz HWCGRFRIOSFBSJ-AVGNSLFASA-N 0 3 236.359 3.540 20 0 BHADHN CC(C)[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncco1 ZINC000924939956 646134184 /nfs/dbraw/zinc/13/41/84/646134184.db2.gz HWCGRFRIOSFBSJ-RWMBFGLXSA-N 0 3 236.359 3.540 20 0 BHADHN CC(C)[C@H]1CCCC[C@@H]1N[C@@H](C)c1ncco1 ZINC000924939961 646135691 /nfs/dbraw/zinc/13/56/91/646135691.db2.gz HWCGRFRIOSFBSJ-XQQFMLRXSA-N 0 3 236.359 3.540 20 0 BHADHN CC(C)[C@H]1CCCC[C@H]1N[C@@H](C)c1ncco1 ZINC000924939963 646134416 /nfs/dbraw/zinc/13/44/16/646134416.db2.gz HWCGRFRIOSFBSJ-YNEHKIRRSA-N 0 3 236.359 3.540 20 0 BHADHN CCC[C@H](N[C@@H]1C[C@H]1C)c1ncccc1Cl ZINC000924949637 646138209 /nfs/dbraw/zinc/13/82/09/646138209.db2.gz JXVRSYWRZCMFMS-ADEWGFFLSA-N 0 3 238.762 3.574 20 0 BHADHN CCC[C@H](N[C@H]1C[C@@H]1C)c1ncccc1Cl ZINC000924949653 646138282 /nfs/dbraw/zinc/13/82/82/646138282.db2.gz JXVRSYWRZCMFMS-DLOVCJGASA-N 0 3 238.762 3.574 20 0 BHADHN CCC[C@H](N[C@H]1C[C@H]1C)c1ncccc1Cl ZINC000924949655 646137402 /nfs/dbraw/zinc/13/74/02/646137402.db2.gz JXVRSYWRZCMFMS-USWWRNFRSA-N 0 3 238.762 3.574 20 0 BHADHN CCC[C@H](N[C@@H]1C[C@@H]1C)c1ncccc1Cl ZINC000924949659 646138305 /nfs/dbraw/zinc/13/83/05/646138305.db2.gz JXVRSYWRZCMFMS-ZMLRMANQSA-N 0 3 238.762 3.574 20 0 BHADHN CC(C)=C1CC[C@@H](C)C[C@@H]1NCc1cc(C)no1 ZINC000924958332 635805779 /nfs/dbraw/zinc/80/57/79/635805779.db2.gz FFIBRPOOIMLMTP-ABAIWWIYSA-N 0 3 248.370 3.598 20 0 BHADHN CC(C)=C1CC[C@@H](C)C[C@H]1NCc1cc(C)no1 ZINC000924958334 635805411 /nfs/dbraw/zinc/80/54/11/635805411.db2.gz FFIBRPOOIMLMTP-IAQYHMDHSA-N 0 3 248.370 3.598 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H](C)C1CCCC1 ZINC000925065597 646174083 /nfs/dbraw/zinc/17/40/83/646174083.db2.gz RAZXVAFGQDLLBJ-GWCFXTLKSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2N[C@@H](C)C1CCCC1 ZINC000925065598 646174580 /nfs/dbraw/zinc/17/45/80/646174580.db2.gz RAZXVAFGQDLLBJ-GXFFZTMASA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H](C)C1CCCC1 ZINC000925065599 646173506 /nfs/dbraw/zinc/17/35/06/646173506.db2.gz RAZXVAFGQDLLBJ-MFKMUULPSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2N[C@H](C)C1CCCC1 ZINC000925065600 635884244 /nfs/dbraw/zinc/88/42/44/635884244.db2.gz RAZXVAFGQDLLBJ-ZWNOBZJWSA-N 0 3 248.370 3.529 20 0 BHADHN CC(C)c1cc(CNC2CC3(C2)CCCC3)on1 ZINC000925069929 646176239 /nfs/dbraw/zinc/17/62/39/646176239.db2.gz YGENMQANROWDAG-UHFFFAOYSA-N 0 3 248.370 3.610 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCCC1(C)C ZINC000925226628 646214391 /nfs/dbraw/zinc/21/43/91/646214391.db2.gz PSDDUUSRSGFURP-AAEUAGOBSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1CCCC1(C)C ZINC000925226629 646213427 /nfs/dbraw/zinc/21/34/27/646213427.db2.gz PSDDUUSRSGFURP-DGCLKSJQSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCCC1(C)C ZINC000925226630 646213348 /nfs/dbraw/zinc/21/33/48/646213348.db2.gz PSDDUUSRSGFURP-WCQYABFASA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2N[C@H]1CCCC1(C)C ZINC000925226631 646214439 /nfs/dbraw/zinc/21/44/39/646214439.db2.gz PSDDUUSRSGFURP-YPMHNXCESA-N 0 3 248.370 3.529 20 0 BHADHN CCC1(CN[C@@H]2CCCc3oc(C)nc32)CCC1 ZINC000925239600 711788094 /nfs/dbraw/zinc/78/80/94/711788094.db2.gz LIPXWDNGTQQXLL-GFCCVEGCSA-N 0 3 248.370 3.530 20 0 BHADHN CCC1(CN[C@H]2CCCc3oc(C)nc32)CCC1 ZINC000925239603 711788070 /nfs/dbraw/zinc/78/80/70/711788070.db2.gz LIPXWDNGTQQXLL-LBPRGKRZSA-N 0 3 248.370 3.530 20 0 BHADHN CC[C@@H]1CCC[C@@H]1N[C@H]1CCCc2oc(C)nc21 ZINC000925254853 646221405 /nfs/dbraw/zinc/22/14/05/646221405.db2.gz BKIXIYNGZWQGLT-AGIUHOORSA-N 0 3 248.370 3.529 20 0 BHADHN CC[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2oc(C)nc21 ZINC000925254855 646220801 /nfs/dbraw/zinc/22/08/01/646220801.db2.gz BKIXIYNGZWQGLT-FRRDWIJNSA-N 0 3 248.370 3.529 20 0 BHADHN CC[C@@H]1CCC[C@H]1N[C@@H]1CCCc2oc(C)nc21 ZINC000925254857 646220996 /nfs/dbraw/zinc/22/09/96/646220996.db2.gz BKIXIYNGZWQGLT-JHJVBQTASA-N 0 3 248.370 3.529 20 0 BHADHN CC[C@@H]1CCC[C@H]1N[C@H]1CCCc2oc(C)nc21 ZINC000925254858 646220812 /nfs/dbraw/zinc/22/08/12/646220812.db2.gz BKIXIYNGZWQGLT-UPJWGTAASA-N 0 3 248.370 3.529 20 0 BHADHN CCC[C@@H](CC)N[C@H]1CCCc2oc(C)nc21 ZINC000925352494 646250425 /nfs/dbraw/zinc/25/04/25/646250425.db2.gz NXIUWDTXWONNMO-NEPJUHHUSA-N 0 3 236.359 3.529 20 0 BHADHN CCC[C@H](CC)N[C@@H]1CCCc2oc(C)nc21 ZINC000925352495 646251649 /nfs/dbraw/zinc/25/16/49/646251649.db2.gz NXIUWDTXWONNMO-NWDGAFQWSA-N 0 3 236.359 3.529 20 0 BHADHN CCC[C@H](CC)N[C@H]1CCCc2oc(C)nc21 ZINC000925352496 646252037 /nfs/dbraw/zinc/25/20/37/646252037.db2.gz NXIUWDTXWONNMO-RYUDHWBXSA-N 0 3 236.359 3.529 20 0 BHADHN CCC[C@@H](CC)N[C@@H]1CCCc2oc(C)nc21 ZINC000925352497 646251137 /nfs/dbraw/zinc/25/11/37/646251137.db2.gz NXIUWDTXWONNMO-VXGBXAGGSA-N 0 3 236.359 3.529 20 0 BHADHN C[C@@H](NC1CCC1)c1cc(-c2ccccc2)no1 ZINC000925375702 646253630 /nfs/dbraw/zinc/25/36/30/646253630.db2.gz FKZHMXZUHJHVEF-LLVKDONJSA-N 0 3 242.322 3.545 20 0 BHADHN C[C@H](NC1CCC1)c1cc(-c2ccccc2)no1 ZINC000925375703 646254424 /nfs/dbraw/zinc/25/44/24/646254424.db2.gz FKZHMXZUHJHVEF-NSHDSACASA-N 0 3 242.322 3.545 20 0 BHADHN CCC[C@@H](NC1CCC1)c1ncccc1Cl ZINC000925377264 646257049 /nfs/dbraw/zinc/25/70/49/646257049.db2.gz PCCVHWWCGBBNLP-GFCCVEGCSA-N 0 3 238.762 3.718 20 0 BHADHN CCC[C@H](NC1CCC1)c1ncccc1Cl ZINC000925377265 646256371 /nfs/dbraw/zinc/25/63/71/646256371.db2.gz PCCVHWWCGBBNLP-LBPRGKRZSA-N 0 3 238.762 3.718 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CC[C@H](C)CC1 ZINC000925382087 641400018 /nfs/dbraw/zinc/40/00/18/641400018.db2.gz JQCJUXZYGPVMDV-DRZSPHRISA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2N[C@H]1CC[C@H](C)CC1 ZINC000925382088 641401363 /nfs/dbraw/zinc/40/13/63/641401363.db2.gz JQCJUXZYGPVMDV-RAIGVLPGSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2NCC1(C)CCCC1 ZINC000925383863 641405373 /nfs/dbraw/zinc/40/53/73/641405373.db2.gz ZRNSXGDAQRDSAV-GFCCVEGCSA-N 0 3 248.370 3.530 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2NCC1(C)CCCC1 ZINC000925383865 641404400 /nfs/dbraw/zinc/40/44/00/641404400.db2.gz ZRNSXGDAQRDSAV-LBPRGKRZSA-N 0 3 248.370 3.530 20 0 BHADHN CCCC1(CN[C@@H]2CCCc3oc(C)nc32)CC1 ZINC000925536315 633935555 /nfs/dbraw/zinc/93/55/55/633935555.db2.gz CTVLNGVNGYUGBL-GFCCVEGCSA-N 0 3 248.370 3.530 20 0 BHADHN CCCC1(CN[C@H]2CCCc3oc(C)nc32)CC1 ZINC000925536316 633934962 /nfs/dbraw/zinc/93/49/62/633934962.db2.gz CTVLNGVNGYUGBL-LBPRGKRZSA-N 0 3 248.370 3.530 20 0 BHADHN CCC[C@@H](NCCCF)c1ncccc1Cl ZINC000925561194 634045023 /nfs/dbraw/zinc/04/50/23/634045023.db2.gz YZOAEAAIWWMJQC-LLVKDONJSA-N 0 3 244.741 3.525 20 0 BHADHN CCC[C@H](NCCCF)c1ncccc1Cl ZINC000925561199 634044883 /nfs/dbraw/zinc/04/48/83/634044883.db2.gz YZOAEAAIWWMJQC-NSHDSACASA-N 0 3 244.741 3.525 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCC(C)(C)C1 ZINC000925675011 646405393 /nfs/dbraw/zinc/40/53/93/646405393.db2.gz CORQHWANUDSWQA-NEPJUHHUSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2N[C@H]1CCC(C)(C)C1 ZINC000925675012 646405835 /nfs/dbraw/zinc/40/58/35/646405835.db2.gz CORQHWANUDSWQA-NWDGAFQWSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCC(C)(C)C1 ZINC000925675013 646404786 /nfs/dbraw/zinc/40/47/86/646404786.db2.gz CORQHWANUDSWQA-RYUDHWBXSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1CCC(C)(C)C1 ZINC000925675014 646404960 /nfs/dbraw/zinc/40/49/60/646404960.db2.gz CORQHWANUDSWQA-VXGBXAGGSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H](C)CCC1CC1 ZINC000926195844 646591794 /nfs/dbraw/zinc/59/17/94/646591794.db2.gz INOFATOEWXDZSN-GWCFXTLKSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2N[C@@H](C)CCC1CC1 ZINC000926195845 646592285 /nfs/dbraw/zinc/59/22/85/646592285.db2.gz INOFATOEWXDZSN-GXFFZTMASA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H](C)CCC1CC1 ZINC000926195847 646592221 /nfs/dbraw/zinc/59/22/21/646592221.db2.gz INOFATOEWXDZSN-MFKMUULPSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2N[C@H](C)CCC1CC1 ZINC000926195849 646591615 /nfs/dbraw/zinc/59/16/15/646591615.db2.gz INOFATOEWXDZSN-ZWNOBZJWSA-N 0 3 248.370 3.529 20 0 BHADHN CCC[C@@H](N[C@H](C)c1ncco1)C(C)(C)C ZINC000926514161 645246623 /nfs/dbraw/zinc/24/66/23/645246623.db2.gz CWWVXNLHXSFZOG-GHMZBOCLSA-N 0 3 224.348 3.540 20 0 BHADHN CCC[C@H](N[C@H](C)c1ncco1)C(C)(C)C ZINC000926514162 645247057 /nfs/dbraw/zinc/24/70/57/645247057.db2.gz CWWVXNLHXSFZOG-MNOVXSKESA-N 0 3 224.348 3.540 20 0 BHADHN CCC[C@H](N[C@@H](C)c1ncco1)C(C)(C)C ZINC000926514163 645247767 /nfs/dbraw/zinc/24/77/67/645247767.db2.gz CWWVXNLHXSFZOG-QWRGUYRKSA-N 0 3 224.348 3.540 20 0 BHADHN CCC[C@@H](N[C@@H](C)c1ncco1)C(C)(C)C ZINC000926514164 645248035 /nfs/dbraw/zinc/24/80/35/645248035.db2.gz CWWVXNLHXSFZOG-WDEREUQCSA-N 0 3 224.348 3.540 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@H]1C(C)(C)C)c1ncco1 ZINC000926589643 632598540 /nfs/dbraw/zinc/59/85/40/632598540.db2.gz AXYYGHTZAJIYFW-QJPTWQEYSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@H](N[C@@H]1CCC[C@@H]1C(C)(C)C)c1ncco1 ZINC000926589644 632598375 /nfs/dbraw/zinc/59/83/75/632598375.db2.gz AXYYGHTZAJIYFW-SDDRHHMPSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@H](N[C@H]1CCC[C@@H]1C(C)(C)C)c1ncco1 ZINC000926589645 632598069 /nfs/dbraw/zinc/59/80/69/632598069.db2.gz AXYYGHTZAJIYFW-SRVKXCTJSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@H](N[C@H]1CCC[C@H]1C(C)(C)C)c1ncco1 ZINC000926589646 632598353 /nfs/dbraw/zinc/59/83/53/632598353.db2.gz AXYYGHTZAJIYFW-TUAOUCFPSA-N 0 3 236.359 3.540 20 0 BHADHN C[C@@H](N[C@@H](C1CCC1)C1CCCC1)c1ncco1 ZINC000926633175 645326144 /nfs/dbraw/zinc/32/61/44/645326144.db2.gz LGIKQGBJEXZBQK-BXUZGUMPSA-N 0 3 248.370 3.684 20 0 BHADHN C[C@H](N[C@H](C1CCC1)C1CCCC1)c1ncco1 ZINC000926633176 645325636 /nfs/dbraw/zinc/32/56/36/645325636.db2.gz LGIKQGBJEXZBQK-FZMZJTMJSA-N 0 3 248.370 3.684 20 0 BHADHN C[C@@H](N[C@H](C1CCC1)C1CCCC1)c1ncco1 ZINC000926633177 645324328 /nfs/dbraw/zinc/32/43/28/645324328.db2.gz LGIKQGBJEXZBQK-RISCZKNCSA-N 0 3 248.370 3.684 20 0 BHADHN C[C@H](N[C@@H](C1CCC1)C1CCCC1)c1ncco1 ZINC000926633178 645325705 /nfs/dbraw/zinc/32/57/05/645325705.db2.gz LGIKQGBJEXZBQK-SMDDNHRTSA-N 0 3 248.370 3.684 20 0 BHADHN C[C@H]([NH2+]C1(C2CCC2)CC1)c1cc([O-])cc(F)c1 ZINC000926649510 645333562 /nfs/dbraw/zinc/33/35/62/645333562.db2.gz KGZWKJLSLIVMTI-JTQLQIEISA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cc([O-])cc(F)c1 ZINC000926649511 645334543 /nfs/dbraw/zinc/33/45/43/645334543.db2.gz KGZWKJLSLIVMTI-SNVBAGLBSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@H]([NH2+]C1CC2(CCC2)C1)c1cc([O-])cc(F)c1 ZINC000926659861 645342587 /nfs/dbraw/zinc/34/25/87/645342587.db2.gz HXXAVWALYGVNIQ-JTQLQIEISA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cc([O-])cc(F)c1 ZINC000926659862 632785336 /nfs/dbraw/zinc/78/53/36/632785336.db2.gz HXXAVWALYGVNIQ-SNVBAGLBSA-N 0 3 249.329 3.515 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2NCCCC1CCC1 ZINC000926705551 645370059 /nfs/dbraw/zinc/37/00/59/645370059.db2.gz OURADNFSVVWDSY-CYBMUJFWSA-N 0 3 248.370 3.530 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2NCCCC1CCC1 ZINC000926705553 645370099 /nfs/dbraw/zinc/37/00/99/645370099.db2.gz OURADNFSVVWDSY-ZDUSSCGKSA-N 0 3 248.370 3.530 20 0 BHADHN C[C@@H](NCC(C1CCC1)C1CCC1)c1ncco1 ZINC000926744093 632942354 /nfs/dbraw/zinc/94/23/54/632942354.db2.gz CHYJOZPZUGSOJV-LLVKDONJSA-N 0 3 248.370 3.542 20 0 BHADHN C[C@H](NCC(C1CCC1)C1CCC1)c1ncco1 ZINC000926744105 632941778 /nfs/dbraw/zinc/94/17/78/632941778.db2.gz CHYJOZPZUGSOJV-NSHDSACASA-N 0 3 248.370 3.542 20 0 BHADHN C[C@H]([NH2+][C@H]1CCCC12CC2)c1cc([O-])cc(F)c1 ZINC000926778112 645425598 /nfs/dbraw/zinc/42/55/98/645425598.db2.gz ASTMGYWMWCLOML-HZMBPMFUSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@H]([NH2+][C@@H]1CCCC12CC2)c1cc([O-])cc(F)c1 ZINC000926778113 633046329 /nfs/dbraw/zinc/04/63/29/633046329.db2.gz ASTMGYWMWCLOML-IINYFYTJSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cc([O-])cc(F)c1 ZINC000926778114 633046245 /nfs/dbraw/zinc/04/62/45/633046245.db2.gz ASTMGYWMWCLOML-QMTHXVAHSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H]([NH2+][C@H]1CCCC12CC2)c1cc([O-])cc(F)c1 ZINC000926778115 633045832 /nfs/dbraw/zinc/04/58/32/633045832.db2.gz ASTMGYWMWCLOML-YGRLFVJLSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@H](NCC(C)(C)F)c1cc2ccccc2[nH]1 ZINC000926779306 645427711 /nfs/dbraw/zinc/42/77/11/645427711.db2.gz HGWMQCPTTVPPSR-JTQLQIEISA-N 0 3 234.318 3.567 20 0 BHADHN C[C@@H](NCC(C)(C)F)c1cc2ccccc2[nH]1 ZINC000926779307 645429333 /nfs/dbraw/zinc/42/93/33/645429333.db2.gz HGWMQCPTTVPPSR-SNVBAGLBSA-N 0 3 234.318 3.567 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H](C)CC1CCC1 ZINC000926791271 645434981 /nfs/dbraw/zinc/43/49/81/645434981.db2.gz QVJXOMMJGMXYQI-GWCFXTLKSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2N[C@@H](C)CC1CCC1 ZINC000926791272 645435565 /nfs/dbraw/zinc/43/55/65/645435565.db2.gz QVJXOMMJGMXYQI-GXFFZTMASA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H](C)CC1CCC1 ZINC000926791273 645436051 /nfs/dbraw/zinc/43/60/51/645436051.db2.gz QVJXOMMJGMXYQI-MFKMUULPSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2N[C@H](C)CC1CCC1 ZINC000926791274 645436431 /nfs/dbraw/zinc/43/64/31/645436431.db2.gz QVJXOMMJGMXYQI-ZWNOBZJWSA-N 0 3 248.370 3.529 20 0 BHADHN Cc1nc2c(o1)CCC[C@H]2NCCCCC1CC1 ZINC000926797188 645437979 /nfs/dbraw/zinc/43/79/79/645437979.db2.gz RAKZDQUQTNAWLR-CYBMUJFWSA-N 0 3 248.370 3.530 20 0 BHADHN Cc1nc2c(o1)CCC[C@@H]2NCCCCC1CC1 ZINC000926797190 645436980 /nfs/dbraw/zinc/43/69/80/645436980.db2.gz RAKZDQUQTNAWLR-ZDUSSCGKSA-N 0 3 248.370 3.530 20 0 BHADHN C[C@H]([NH2+]C1(C2CC2)CCC1)c1cc([O-])cc(F)c1 ZINC000926877323 645471995 /nfs/dbraw/zinc/47/19/95/645471995.db2.gz MZRCBKLJTWBHCV-JTQLQIEISA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H]([NH2+]C1(C2CC2)CCC1)c1cc([O-])cc(F)c1 ZINC000926877324 645472183 /nfs/dbraw/zinc/47/21/83/645472183.db2.gz MZRCBKLJTWBHCV-SNVBAGLBSA-N 0 3 249.329 3.515 20 0 BHADHN C[C@@H](NCC1CCC=CCC1)c1nccs1 ZINC000927123460 645561242 /nfs/dbraw/zinc/56/12/42/645561242.db2.gz RRNPBBOCMSZESU-LLVKDONJSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@H](NCC1CCC=CCC1)c1nccs1 ZINC000927123461 645560116 /nfs/dbraw/zinc/56/01/16/645560116.db2.gz RRNPBBOCMSZESU-NSHDSACASA-N 0 3 236.384 3.540 20 0 BHADHN C[C@@H](NCC1CCC=CCC1)c1cscn1 ZINC000927123675 645560538 /nfs/dbraw/zinc/56/05/38/645560538.db2.gz XYCMQILNJWEOBZ-LLVKDONJSA-N 0 3 236.384 3.540 20 0 BHADHN C[C@H](NCC1CCC=CCC1)c1cscn1 ZINC000927123676 645559821 /nfs/dbraw/zinc/55/98/21/645559821.db2.gz XYCMQILNJWEOBZ-NSHDSACASA-N 0 3 236.384 3.540 20 0 BHADHN CN(CCCC(C)(F)F)Cc1ccccc1F ZINC000929120979 645954933 /nfs/dbraw/zinc/95/49/33/645954933.db2.gz DXPYVHCVCLKOFV-UHFFFAOYSA-N 0 3 245.288 3.693 20 0 BHADHN CCCCN(C)Cc1cnc(-c2ccccc2)o1 ZINC000929126286 645958097 /nfs/dbraw/zinc/95/80/97/645958097.db2.gz VTIDOGOCFALCEW-UHFFFAOYSA-N 0 3 244.338 3.574 20 0 BHADHN CC(F)(F)CCCN1CCc2sccc2C1 ZINC000929199172 645999203 /nfs/dbraw/zinc/99/92/03/645999203.db2.gz OGYTUUUHNDLWGI-UHFFFAOYSA-N 0 3 245.338 3.542 20 0 BHADHN CN(Cc1cccs1)Cc1ccccc1CF ZINC000929208044 646006337 /nfs/dbraw/zinc/00/63/37/646006337.db2.gz RSBXNOYDFQWXNW-UHFFFAOYSA-N 0 3 249.354 3.850 20 0 BHADHN C[C@H](c1ccc(F)nc1)N1CCC2(CCCC2)C1 ZINC000929747606 646280797 /nfs/dbraw/zinc/28/07/97/646280797.db2.gz FAQOTDOSMDXDRU-GFCCVEGCSA-N 0 3 248.345 3.548 20 0 BHADHN C[C@@H](c1ccc(F)nc1)N1CCC2(CCCC2)C1 ZINC000929747608 646280396 /nfs/dbraw/zinc/28/03/96/646280396.db2.gz FAQOTDOSMDXDRU-LBPRGKRZSA-N 0 3 248.345 3.548 20 0 BHADHN C[C@@H]1c2ccccc2CN1CCCC(C)(F)F ZINC000929765944 641511287 /nfs/dbraw/zinc/51/12/87/641511287.db2.gz GUYQXTIRAHKECK-LLVKDONJSA-N 0 3 239.309 3.999 20 0 BHADHN C[C@H]1c2ccccc2CN1CCCC(C)(F)F ZINC000929765953 641510945 /nfs/dbraw/zinc/51/09/45/641510945.db2.gz GUYQXTIRAHKECK-NSHDSACASA-N 0 3 239.309 3.999 20 0 BHADHN CC(F)(F)CCCN1CC[C@@H]1c1ccccc1 ZINC000929786470 646313565 /nfs/dbraw/zinc/31/35/65/646313565.db2.gz DXQCXYZTBQOXMA-CYBMUJFWSA-N 0 3 239.309 3.869 20 0 BHADHN CC(F)(F)CCCN1CC[C@H]1c1ccccc1 ZINC000929786472 646315965 /nfs/dbraw/zinc/31/59/65/646315965.db2.gz DXQCXYZTBQOXMA-ZDUSSCGKSA-N 0 3 239.309 3.869 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccc(F)nc1)c1ccccc1 ZINC000930183555 646482127 /nfs/dbraw/zinc/48/21/27/646482127.db2.gz VWPOVJJFMSVDOJ-NEPJUHHUSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@@H](N[C@@H](C)c1ccccc1)c1ccc(F)nc1 ZINC000930183556 646481691 /nfs/dbraw/zinc/48/16/91/646481691.db2.gz VWPOVJJFMSVDOJ-NWDGAFQWSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@H](N[C@@H](C)c1ccc(F)nc1)c1ccccc1 ZINC000930183558 646482349 /nfs/dbraw/zinc/48/23/49/646482349.db2.gz VWPOVJJFMSVDOJ-RYUDHWBXSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@@H](N[C@H](C)c1ccc(F)nc1)c1ccccc1 ZINC000930183560 646482248 /nfs/dbraw/zinc/48/22/48/646482248.db2.gz VWPOVJJFMSVDOJ-VXGBXAGGSA-N 0 3 244.313 3.633 20 0 BHADHN C[C@H](c1ccc(F)nc1)N1CCC2(CCC2)CC1 ZINC000930464054 639765791 /nfs/dbraw/zinc/76/57/91/639765791.db2.gz GLTKSEOATKTDPY-GFCCVEGCSA-N 0 3 248.345 3.548 20 0 BHADHN C[C@@H](c1ccc(F)nc1)N1CCC2(CCC2)CC1 ZINC000930464055 639765083 /nfs/dbraw/zinc/76/50/83/639765083.db2.gz GLTKSEOATKTDPY-LBPRGKRZSA-N 0 3 248.345 3.548 20 0 BHADHN CCCC[C@@H](C)N(C)Cc1c(C)noc1CC ZINC000930526921 639802192 /nfs/dbraw/zinc/80/21/92/639802192.db2.gz UNLGUHMAQWHTOW-LLVKDONJSA-N 0 3 238.375 3.556 20 0 BHADHN CCCC[C@H](C)N(C)Cc1c(C)noc1CC ZINC000930526922 639802730 /nfs/dbraw/zinc/80/27/30/639802730.db2.gz UNLGUHMAQWHTOW-NSHDSACASA-N 0 3 238.375 3.556 20 0 BHADHN CC[C@@H]1C[C@H]1CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000931082094 640063700 /nfs/dbraw/zinc/06/37/00/640063700.db2.gz CHGMYIORBCYKHT-SNPRPXQTSA-N 0 3 244.382 3.511 20 0 BHADHN CC[C@@H]1C[C@H]1CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000931082097 640064268 /nfs/dbraw/zinc/06/42/68/640064268.db2.gz CHGMYIORBCYKHT-VHDGCEQUSA-N 0 3 244.382 3.511 20 0 BHADHN CC1CC(CN2CC(C)(C)[C@@H]2c2cccnc2)C1 ZINC000931082936 640063632 /nfs/dbraw/zinc/06/36/32/640063632.db2.gz IATJATFHGMKBOG-PIMMBPRGSA-N 0 3 244.382 3.511 20 0 BHADHN CC1CC(CN2CC(C)(C)[C@H]2c2cccnc2)C1 ZINC000931082938 640063948 /nfs/dbraw/zinc/06/39/48/640063948.db2.gz IATJATFHGMKBOG-SSDMNJCBSA-N 0 3 244.382 3.511 20 0 BHADHN CC[C@@H]1C[C@H]1CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000931084638 640065262 /nfs/dbraw/zinc/06/52/62/640065262.db2.gz RNISHNRBMMFQFZ-SNPRPXQTSA-N 0 3 244.382 3.511 20 0 BHADHN CC[C@@H]1C[C@H]1CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000931084639 640064483 /nfs/dbraw/zinc/06/44/83/640064483.db2.gz RNISHNRBMMFQFZ-VHDGCEQUSA-N 0 3 244.382 3.511 20 0 BHADHN C[C@H](c1ccc(F)nc1)N1CCCC2(CC2)CC1 ZINC000931335849 640163690 /nfs/dbraw/zinc/16/36/90/640163690.db2.gz YQQSPXYFUIWXNY-GFCCVEGCSA-N 0 3 248.345 3.548 20 0 BHADHN C[C@@H](c1ccc(F)nc1)N1CCCC2(CC2)CC1 ZINC000931335850 640163435 /nfs/dbraw/zinc/16/34/35/640163435.db2.gz YQQSPXYFUIWXNY-LBPRGKRZSA-N 0 3 248.345 3.548 20 0 BHADHN c1ccc([C@@H](NCC2=CCCCC2)C2CC2)nc1 ZINC000932387589 640514927 /nfs/dbraw/zinc/51/49/27/640514927.db2.gz YKJGYXIJNGLHOI-INIZCTEOSA-N 0 3 242.366 3.623 20 0 BHADHN c1ccc([C@H](NCC2=CCCCC2)C2CC2)nc1 ZINC000932387590 640514758 /nfs/dbraw/zinc/51/47/58/640514758.db2.gz YKJGYXIJNGLHOI-MRXNPFEDSA-N 0 3 242.366 3.623 20 0 BHADHN FC(F)CC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC000932810596 640613423 /nfs/dbraw/zinc/61/34/23/640613423.db2.gz OEBDBTVFSWAYBQ-RKBZKTAASA-N 0 3 249.732 3.637 20 0 BHADHN FC(F)CC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC000932810597 640612978 /nfs/dbraw/zinc/61/29/78/640612978.db2.gz OEBDBTVFSWAYBQ-URWVXISESA-N 0 3 249.732 3.637 20 0 BHADHN C[C@@H](N[C@H]1C=CCCCCC1)c1cncs1 ZINC000934193788 641097716 /nfs/dbraw/zinc/09/77/16/641097716.db2.gz NFOJPYZZOCNMGT-NEPJUHHUSA-N 0 3 236.384 3.683 20 0 BHADHN C[C@H](N[C@@H]1C=CCCCCC1)c1cncs1 ZINC000934193789 641097339 /nfs/dbraw/zinc/09/73/39/641097339.db2.gz NFOJPYZZOCNMGT-NWDGAFQWSA-N 0 3 236.384 3.683 20 0 BHADHN C[C@H](N[C@H]1C=CCCCCC1)c1cncs1 ZINC000934193790 641097211 /nfs/dbraw/zinc/09/72/11/641097211.db2.gz NFOJPYZZOCNMGT-RYUDHWBXSA-N 0 3 236.384 3.683 20 0 BHADHN C[C@@H](N[C@@H]1C=CCCCCC1)c1cncs1 ZINC000934193791 641097794 /nfs/dbraw/zinc/09/77/94/641097794.db2.gz NFOJPYZZOCNMGT-VXGBXAGGSA-N 0 3 236.384 3.683 20 0 BHADHN CCCCC1(NCc2scnc2Cl)CC1 ZINC000934200189 641097292 /nfs/dbraw/zinc/09/72/92/641097292.db2.gz GNCNFFZDGFXJFU-UHFFFAOYSA-N 0 3 244.791 3.609 20 0 BHADHN CCCCC1(NCc2nc(C)c(C)s2)CC1 ZINC000934200951 641099022 /nfs/dbraw/zinc/09/90/22/641099022.db2.gz PITQIDLTYXLVOK-UHFFFAOYSA-N 0 3 238.400 3.572 20 0 BHADHN CCCCC1(NCc2ccc(Cl)cn2)CC1 ZINC000934201259 641100109 /nfs/dbraw/zinc/10/01/09/641100109.db2.gz UAFDOZPJAXVMLH-UHFFFAOYSA-N 0 3 238.762 3.547 20 0 BHADHN CCCCC1(NCc2cccnc2Cl)CC1 ZINC000934201614 641100907 /nfs/dbraw/zinc/10/09/07/641100907.db2.gz BQMVYUQCHINKTB-UHFFFAOYSA-N 0 3 238.762 3.547 20 0 BHADHN CCCCC1(NCc2ccncc2Cl)CC1 ZINC000934205009 641101511 /nfs/dbraw/zinc/10/15/11/641101511.db2.gz IKIPJBGJSPCMBJ-UHFFFAOYSA-N 0 3 238.762 3.547 20 0 BHADHN CCCCC1(NCc2cccc(Cl)n2)CC1 ZINC000934207453 641103568 /nfs/dbraw/zinc/10/35/68/641103568.db2.gz PLMSXARUPIIXMV-UHFFFAOYSA-N 0 3 238.762 3.547 20 0 BHADHN CCCCC1(NCc2cnc(Cl)s2)CC1 ZINC000934207733 641103698 /nfs/dbraw/zinc/10/36/98/641103698.db2.gz VKDXQJOEDYCOPX-UHFFFAOYSA-N 0 3 244.791 3.609 20 0 BHADHN CSCC(C)(C)NCc1ccsc1Cl ZINC000934662910 641238347 /nfs/dbraw/zinc/23/83/47/641238347.db2.gz HUYTXMZTRMHUKQ-UHFFFAOYSA-N 0 3 249.832 3.633 20 0 BHADHN CSCC(C)(C)NCc1sccc1Cl ZINC000934667300 641239090 /nfs/dbraw/zinc/23/90/90/641239090.db2.gz ATJBKSJPFSUAHQ-UHFFFAOYSA-N 0 3 249.832 3.633 20 0 BHADHN