smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@H]1CCCN1C1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000159430093 551565421 /nfs/dbraw/zinc/56/54/21/551565421.db2.gz MHVNCGKYMOKZSH-QGZVFWFLSA-N 0 3 386.323 2.786 20 70 GFIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159488587 551565828 /nfs/dbraw/zinc/56/58/28/551565828.db2.gz IZHJHLOHWCQJPB-CYBMUJFWSA-N 0 3 390.281 2.505 20 70 GFIDHN CCN1CCC(NC(=O)c2ccc(OC)cc2I)CC1 ZINC000159586770 551567567 /nfs/dbraw/zinc/56/75/67/551567567.db2.gz SCKZHOXNXPWHBC-UHFFFAOYSA-N 0 3 388.249 2.514 20 70 GFIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc2cc(Br)ccc2[nH]1 ZINC000160045788 551574805 /nfs/dbraw/zinc/57/48/05/551574805.db2.gz VOCVCANKVLSNNI-CQSZACIVSA-N 0 3 380.286 2.507 20 70 GFIDHN C[C@@H](Cn1cc(Br)cn1)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000160719924 551584111 /nfs/dbraw/zinc/58/41/11/551584111.db2.gz SUADNROWTSUEMR-WMLDXEAASA-N 0 3 391.313 2.987 20 70 GFIDHN CCc1nn(C)c(CC)c1CNCCNC(=O)c1ccc(Br)cc1 ZINC000160709786 551584467 /nfs/dbraw/zinc/58/44/67/551584467.db2.gz KMFDDJXTAXODTA-UHFFFAOYSA-N 0 3 393.329 2.827 20 70 GFIDHN CN(C)CCN(C)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000160208241 551577345 /nfs/dbraw/zinc/57/73/45/551577345.db2.gz LUIVNRKXWLDBGZ-UHFFFAOYSA-N 0 3 380.290 2.719 20 70 GFIDHN C[C@H](CC(=O)NCCCN1CCN(C)CC1)c1ccc(Br)cc1 ZINC000160794128 551585421 /nfs/dbraw/zinc/58/54/21/551585421.db2.gz KPQJDDITESLVPP-OAHLLOKOSA-N 0 3 382.346 2.696 20 70 GFIDHN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160635253 551583123 /nfs/dbraw/zinc/58/31/23/551583123.db2.gz RWSBLBDGDGOUGZ-IUODEOHRSA-N 0 3 375.296 2.724 20 70 GFIDHN CCN1CCC[C@H]1CNC(=O)c1ccc(OC)cc1I ZINC000159574530 551566838 /nfs/dbraw/zinc/56/68/38/551566838.db2.gz FUZAUUBLMAUTTQ-NSHDSACASA-N 0 3 388.249 2.514 20 70 GFIDHN COCCCN(C)CCNC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000160006390 551574241 /nfs/dbraw/zinc/57/42/41/551574241.db2.gz PUOAPKKCJYCYCG-CYBMUJFWSA-N 0 3 389.309 2.851 20 70 GFIDHN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160617609 551583212 /nfs/dbraw/zinc/58/32/12/551583212.db2.gz JODIBIOKFQDXRV-STQMWFEESA-N 0 3 375.296 2.724 20 70 GFIDHN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CCO)CC1 ZINC000160718445 551584356 /nfs/dbraw/zinc/58/43/56/551584356.db2.gz VPFBRRXNFOIDOX-GFCCVEGCSA-N 0 3 375.296 2.581 20 70 GFIDHN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCC1CCN(CCO)CC1 ZINC000160704066 551584475 /nfs/dbraw/zinc/58/44/75/551584475.db2.gz FSGNYHZYIWUWNS-GFCCVEGCSA-N 0 3 375.296 2.581 20 70 GFIDHN NC(=O)[C@@H]1CCCN1C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000159403321 551564421 /nfs/dbraw/zinc/56/44/21/551564421.db2.gz GBQSCGJWDZBTMZ-INIZCTEOSA-N 0 3 386.323 2.786 20 70 GFIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000159975303 551573599 /nfs/dbraw/zinc/57/35/99/551573599.db2.gz PVTCQZXMQPSNTD-LBPRGKRZSA-N 0 3 398.276 2.646 20 70 GFIDHN Cc1cc(CCC(=O)NC[C@@H](O)CN2CCCCC2)ccc1Br ZINC000160160231 551576336 /nfs/dbraw/zinc/57/63/36/551576336.db2.gz VLCZYOHHQFQIDJ-MRXNPFEDSA-N 0 3 383.330 2.653 20 70 GFIDHN CCCNC(=O)c1cccc(CN[C@H](C)Cn2cc(Br)cn2)c1 ZINC000160600632 551582654 /nfs/dbraw/zinc/58/26/54/551582654.db2.gz NKAVEYGOEZBDGP-CYBMUJFWSA-N 0 3 379.302 2.964 20 70 GFIDHN C[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Br)N(C)C1CC1 ZINC000160431036 551580448 /nfs/dbraw/zinc/58/04/48/551580448.db2.gz KPDNXNJVLHCAQI-SECBINFHSA-N 0 3 388.693 2.640 20 70 GFIDHN CCN(CC)CCCNC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000161171172 551591315 /nfs/dbraw/zinc/59/13/15/551591315.db2.gz HQFBCUBPMLFLSE-OAHLLOKOSA-N 0 3 387.933 2.542 20 70 GFIDHN O=C(CN1CCN(c2ccncc2)CC1)Nc1ccccc1Br ZINC000161302772 551592739 /nfs/dbraw/zinc/59/27/39/551592739.db2.gz YPAONEJDIYESDH-UHFFFAOYSA-N 0 3 375.270 2.605 20 70 GFIDHN C[C@H](CNC(=O)c1cncc(I)c1)N1CCC(C)CC1 ZINC000161382994 551593871 /nfs/dbraw/zinc/59/38/71/551593871.db2.gz FMAXHQATHHTMDH-GFCCVEGCSA-N 0 3 387.265 2.536 20 70 GFIDHN O=S(=O)(NCC1CCN(CCO)CC1)c1cc2cc(Cl)ccc2s1 ZINC000161422247 551594427 /nfs/dbraw/zinc/59/44/27/551594427.db2.gz XWPMVHZPKJEGTO-UHFFFAOYSA-N 0 3 388.942 2.537 20 70 GFIDHN COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)c2cnccn2)c1 ZINC000159604791 551568058 /nfs/dbraw/zinc/56/80/58/551568058.db2.gz AKROBXBNONYLJM-LBPRGKRZSA-N 0 3 393.285 2.718 20 70 GFIDHN CN(C)CCn1ccc(NC(=O)CSc2cccc(Br)c2)n1 ZINC000160107820 551575323 /nfs/dbraw/zinc/57/53/23/551575323.db2.gz ZEZANCJSSPIJSS-UHFFFAOYSA-N 0 3 383.315 2.938 20 70 GFIDHN C[C@H](Cn1cc(Br)cn1)NCc1ccc(CN2CCOCC2)cc1 ZINC000160602878 551583254 /nfs/dbraw/zinc/58/32/54/551583254.db2.gz GFOTYBZLOVIMBD-OAHLLOKOSA-N 0 3 393.329 2.656 20 70 GFIDHN C[C@H](Cn1cc(Br)cn1)NCc1ccccc1N1CCOCC1 ZINC000161464056 551594960 /nfs/dbraw/zinc/59/49/60/551594960.db2.gz NCKOEZWHAMQZMJ-CQSZACIVSA-N 0 3 379.302 2.661 20 70 GFIDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000161472089 551595131 /nfs/dbraw/zinc/59/51/31/551595131.db2.gz HSYDKDOHJQRCLU-GFCCVEGCSA-N 0 3 395.352 2.707 20 70 GFIDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000159413302 551564547 /nfs/dbraw/zinc/56/45/47/551564547.db2.gz OUNRXGLYBRBKQH-OAHLLOKOSA-N 0 3 376.551 2.786 20 70 GFIDHN CCCCN(C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000160413178 551580110 /nfs/dbraw/zinc/58/01/10/551580110.db2.gz GFMIKSOJJCFHKX-UHFFFAOYSA-N 0 3 390.709 2.889 20 70 GFIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(I)cc1)CC2 ZINC000160526213 551581859 /nfs/dbraw/zinc/58/18/59/551581859.db2.gz VJUVCJVFRGTCDS-QMTHXVAHSA-N 0 3 382.249 2.857 20 70 GFIDHN CN(C)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000160611716 551583391 /nfs/dbraw/zinc/58/33/91/551583391.db2.gz NFIJZCKTEKFMII-JTQLQIEISA-N 0 3 399.713 2.956 20 70 GFIDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cncc(I)c1 ZINC000160928404 551587553 /nfs/dbraw/zinc/58/75/53/551587553.db2.gz FYLTUDUNQQVXLK-NWDGAFQWSA-N 0 3 387.265 2.536 20 70 GFIDHN Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160966398 551588676 /nfs/dbraw/zinc/58/86/76/551588676.db2.gz MYBQSNFPAULEIG-UHFFFAOYSA-N 0 3 388.965 2.703 20 70 GFIDHN C[C@@H](Cc1ccccc1Br)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000161373358 551594074 /nfs/dbraw/zinc/59/40/74/551594074.db2.gz WIKNWBWAKVLTJQ-ZDUSSCGKSA-N 0 3 394.317 2.960 20 70 GFIDHN CCN1CCCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000159816185 551571416 /nfs/dbraw/zinc/57/14/16/551571416.db2.gz LGGPHYFQHUYEBZ-INIZCTEOSA-N 0 3 395.345 2.765 20 70 GFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(I)cc1)CC2 ZINC000160526082 551581478 /nfs/dbraw/zinc/58/14/78/551581478.db2.gz VJUVCJVFRGTCDS-HZMBPMFUSA-N 0 3 382.249 2.857 20 70 GFIDHN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160635162 551583138 /nfs/dbraw/zinc/58/31/38/551583138.db2.gz RWSBLBDGDGOUGZ-SWLSCSKDSA-N 0 3 375.296 2.724 20 70 GFIDHN O=C(CCCc1ccc(Br)s1)NC[C@@H](O)CN1CCCCC1 ZINC000160644088 551583681 /nfs/dbraw/zinc/58/36/81/551583681.db2.gz SZINIHNSQKBIMY-CYBMUJFWSA-N 0 3 389.359 2.796 20 70 GFIDHN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccncc2)CC1 ZINC000161314152 551592845 /nfs/dbraw/zinc/59/28/45/551592845.db2.gz QOEIXWBQNIQRCR-CQSZACIVSA-N 0 3 389.297 2.993 20 70 GFIDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(OC)cc1I ZINC000159574401 551567037 /nfs/dbraw/zinc/56/70/37/551567037.db2.gz FUZAUUBLMAUTTQ-LLVKDONJSA-N 0 3 388.249 2.514 20 70 GFIDHN O=C(NCC1CCN(CCO)CC1)c1ccc(Br)cc1Cl ZINC000160544809 551582395 /nfs/dbraw/zinc/58/23/95/551582395.db2.gz WDLICCHOVKHGKO-UHFFFAOYSA-N 0 3 375.694 2.537 20 70 GFIDHN O=C(CCOc1ccc(Cl)c(Cl)c1)NC[C@H](O)CN1CCCCC1 ZINC000160568100 551582744 /nfs/dbraw/zinc/58/27/44/551582744.db2.gz LKTHOGOABQHXFD-ZDUSSCGKSA-N 0 3 375.296 2.725 20 70 GFIDHN CS(=O)(=O)c1cc(C(=O)NCC2CCN(Cc3cccs3)CC2)cs1 ZINC000160299165 551578732 /nfs/dbraw/zinc/57/87/32/551578732.db2.gz SPBJCWPXZUOSCD-UHFFFAOYSA-N 0 3 398.575 2.855 20 70 GFIDHN CC(C)(C(=O)NCC1CCN(CCO)CC1)c1cccc(Br)c1 ZINC000160566180 551582826 /nfs/dbraw/zinc/58/28/26/551582826.db2.gz HKHZBKFPFDKSJI-UHFFFAOYSA-N 0 3 383.330 2.547 20 70 GFIDHN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(CCOCC2CC2)C1 ZINC000159380045 551564687 /nfs/dbraw/zinc/56/46/87/551564687.db2.gz AJUOVTDKWJMQRX-AWEZNQCLSA-N 0 3 382.302 2.921 20 70 GFIDHN CCN1CCC(NC(=O)c2ccnc(Cl)c2I)CC1 ZINC000159489385 551565909 /nfs/dbraw/zinc/56/59/09/551565909.db2.gz BFBCHYUNNIBYJY-UHFFFAOYSA-N 0 3 393.656 2.554 20 70 GFIDHN CCN1CCCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159765159 551570496 /nfs/dbraw/zinc/57/04/96/551570496.db2.gz CNPFAVMOEAKUEB-ZDUSSCGKSA-N 0 3 392.297 2.895 20 70 GFIDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000161436790 551594176 /nfs/dbraw/zinc/59/41/76/551594176.db2.gz LRAHRGHVGJPIQP-AWEZNQCLSA-N 0 3 388.599 2.759 20 70 GFIDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000161436908 551594447 /nfs/dbraw/zinc/59/44/47/551594447.db2.gz LRAHRGHVGJPIQP-CQSZACIVSA-N 0 3 388.599 2.759 20 70 GFIDHN C[C@H](C(=O)NC[C@H](O)CN1CCCCC1)c1ccc(Br)s1 ZINC000160459283 551580416 /nfs/dbraw/zinc/58/04/16/551580416.db2.gz FQNMGXBPNTZIKH-RYUDHWBXSA-N 0 3 375.332 2.577 20 70 GFIDHN CCN1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000159816058 551571311 /nfs/dbraw/zinc/57/13/11/551571311.db2.gz LGGPHYFQHUYEBZ-MRXNPFEDSA-N 0 3 395.345 2.765 20 70 GFIDHN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160010833 551574419 /nfs/dbraw/zinc/57/44/19/551574419.db2.gz HARXKOBXDKACRJ-BETUJISGSA-N 0 3 375.270 2.806 20 70 GFIDHN CSCC[C@@H](N)C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000160127801 551575850 /nfs/dbraw/zinc/57/58/50/551575850.db2.gz QUJGYCSTSKTISB-OAHLLOKOSA-N 0 3 387.908 2.737 20 70 GFIDHN C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Br)N(C)C1CC1 ZINC000160430900 551580815 /nfs/dbraw/zinc/58/08/15/551580815.db2.gz KPDNXNJVLHCAQI-VIFPVBQESA-N 0 3 388.693 2.640 20 70 GFIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(I)cc1)CC2 ZINC000160525949 551581754 /nfs/dbraw/zinc/58/17/54/551581754.db2.gz VJUVCJVFRGTCDS-IINYFYTJSA-N 0 3 382.249 2.857 20 70 GFIDHN O=S(=O)(NCC1CCN(CCO)CC1)c1csc2ccc(Cl)cc21 ZINC000161401697 551593792 /nfs/dbraw/zinc/59/37/92/551593792.db2.gz GJIWJMQFOWVBDC-UHFFFAOYSA-N 0 3 388.942 2.537 20 70 GFIDHN COC(CN1CCC(Oc2ccccc2I)CC1)OC ZINC000161444846 551594556 /nfs/dbraw/zinc/59/45/56/551594556.db2.gz ISRUQUCPWNBIIN-UHFFFAOYSA-N 0 3 391.249 2.753 20 70 GFIDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000159367117 551563917 /nfs/dbraw/zinc/56/39/17/551563917.db2.gz KZRAIPOBCORNMX-MRXNPFEDSA-N 0 3 384.293 2.502 20 70 GFIDHN C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCC(C)(C)S(C)(=O)=O ZINC000159922824 551573091 /nfs/dbraw/zinc/57/30/91/551573091.db2.gz WPHYFZGDNLALNP-NSHDSACASA-N 0 3 391.331 2.579 20 70 GFIDHN CCN1CCCN(C(=O)NC[C@H](C)Oc2ccccc2Br)CC1 ZINC000159947471 551573725 /nfs/dbraw/zinc/57/37/25/551573725.db2.gz IESVEGHZIPSIIK-AWEZNQCLSA-N 0 3 384.318 2.954 20 70 GFIDHN CSC[C@@H](CCO)N[C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000160361886 551579467 /nfs/dbraw/zinc/57/94/67/551579467.db2.gz SENIQKSXXFMHNR-NVXWUHKLSA-N 0 3 386.583 2.626 20 70 GFIDHN CCN(CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br)C1CC1 ZINC000160423744 551580676 /nfs/dbraw/zinc/58/06/76/551580676.db2.gz PMIPXSUCVIIGBU-UHFFFAOYSA-N 0 3 388.693 2.642 20 70 GFIDHN C[C@@H](Cn1cc(Br)cn1)NCc1ccccc1CN1CCOCC1 ZINC000160466440 551581312 /nfs/dbraw/zinc/58/13/12/551581312.db2.gz HAORQDLGFAIUSL-HNNXBMFYSA-N 0 3 393.329 2.656 20 70 GFIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1[nH]c2ccccc2c1Br ZINC000160618534 551583465 /nfs/dbraw/zinc/58/34/65/551583465.db2.gz LNRDNWBVTCQJRW-GFCCVEGCSA-N 0 3 380.286 2.507 20 70 GFIDHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000159362791 551564194 /nfs/dbraw/zinc/56/41/94/551564194.db2.gz LTHNZMCHNBILJN-HZPDHXFCSA-N 0 3 396.373 2.942 20 70 GFIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCC(=O)Nc1ccccc1Br ZINC000159613967 551567874 /nfs/dbraw/zinc/56/78/74/551567874.db2.gz ONZVQDKTBSHHRF-BBRMVZONSA-N 0 3 394.313 2.768 20 70 GFIDHN CS(=O)(=O)CCN1CCC(N[C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000159894365 551572704 /nfs/dbraw/zinc/57/27/04/551572704.db2.gz DDBGMVKPNRBJJS-KRWDZBQOSA-N 0 3 386.945 2.652 20 70 GFIDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000159379760 551564507 /nfs/dbraw/zinc/56/45/07/551564507.db2.gz GCZAUPUPUTWBCU-INIZCTEOSA-N 0 3 384.293 2.502 20 70 GFIDHN CC1CCN(C[C@@H](O)CNC(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000159746979 551570521 /nfs/dbraw/zinc/57/05/21/551570521.db2.gz VXXNDRTXIQHXGV-ZDUSSCGKSA-N 0 3 389.721 2.925 20 70 GFIDHN CC(C)C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)N(C)C ZINC000160042154 551574833 /nfs/dbraw/zinc/57/48/33/551574833.db2.gz BRRMZRRYLGSGEW-ZDUSSCGKSA-N 0 3 394.313 2.997 20 70 GFIDHN CC[C@@H](C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)N(C)C ZINC000160426247 551580810 /nfs/dbraw/zinc/58/08/10/551580810.db2.gz KYKIONCHWFLUQH-INIZCTEOSA-N 0 3 396.329 2.966 20 70 GFIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(Cl)ccc1Br ZINC000160616410 551583332 /nfs/dbraw/zinc/58/33/32/551583332.db2.gz UATCHYJDKDRNME-GFCCVEGCSA-N 0 3 375.694 2.679 20 70 GFIDHN O=C(CN1CCN(c2ccncc2)CC1)Nc1ccc(Br)cc1F ZINC000161390930 551594148 /nfs/dbraw/zinc/59/41/48/551594148.db2.gz YFKYNUGUDUAORO-UHFFFAOYSA-N 0 3 393.260 2.744 20 70 GFIDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000161450756 551594625 /nfs/dbraw/zinc/59/46/25/551594625.db2.gz ARUYZWGBCJMWMD-LBPRGKRZSA-N 0 3 395.352 2.707 20 70 GFIDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000161466586 551595038 /nfs/dbraw/zinc/59/50/38/551595038.db2.gz APKHIGZEDSJCKP-LBPRGKRZSA-N 0 3 395.352 2.707 20 70 GFIDHN [NH3+]C1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCCC1 ZINC000159498046 551565612 /nfs/dbraw/zinc/56/56/12/551565612.db2.gz OTWRPRLZIKWNBF-UHFFFAOYSA-N 0 3 378.270 2.682 20 70 GFIDHN C[C@@H](CC(=O)Nc1cccc(Br)c1)NCC(C)(C)S(C)(=O)=O ZINC000159818365 551571424 /nfs/dbraw/zinc/57/14/24/551571424.db2.gz KPGKVDLRHMRYIK-NSHDSACASA-N 0 3 391.331 2.579 20 70 GFIDHN C[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(Br)s1 ZINC000160459556 551580642 /nfs/dbraw/zinc/58/06/42/551580642.db2.gz FQNMGXBPNTZIKH-NWDGAFQWSA-N 0 3 375.332 2.577 20 70 GFIDHN CSC[C@H](CCO)N[C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000160361649 551579446 /nfs/dbraw/zinc/57/94/46/551579446.db2.gz SENIQKSXXFMHNR-WBVHZDCISA-N 0 3 386.583 2.626 20 70 GFIDHN CNC(=O)NC(=O)[C@@H](C)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000161221285 551591691 /nfs/dbraw/zinc/59/16/91/551591691.db2.gz OIIRVDBATXEUGH-GFCCVEGCSA-N 0 3 382.302 2.695 20 70 GFIDHN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCN(c2ccncc2)CC1 ZINC000161377318 551593898 /nfs/dbraw/zinc/59/38/98/551593898.db2.gz MXRNDKHARLHYJO-AWEZNQCLSA-N 0 3 389.297 2.993 20 70 GFIDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000161450882 551594314 /nfs/dbraw/zinc/59/43/14/551594314.db2.gz ARUYZWGBCJMWMD-GFCCVEGCSA-N 0 3 395.352 2.707 20 70 GFIDHN CCN1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000159849824 551571993 /nfs/dbraw/zinc/57/19/93/551571993.db2.gz OCJWKRKEZNSTTD-OAHLLOKOSA-N 0 3 395.345 2.765 20 70 GFIDHN C[C@@H](C(=O)NC[C@H](O)CN1CCCCC1)c1ccc(Br)s1 ZINC000160459417 551580797 /nfs/dbraw/zinc/58/07/97/551580797.db2.gz FQNMGXBPNTZIKH-NEPJUHHUSA-N 0 3 375.332 2.577 20 70 GFIDHN Cc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000160942884 551588217 /nfs/dbraw/zinc/58/82/17/551588217.db2.gz KKYRCMKSRJWNCR-OAHLLOKOSA-N 0 3 380.535 2.928 20 70 GFIDHN O=C(CN1CCN(c2ccncc2)CC1)Nc1ccc(Br)cc1 ZINC000161284818 551592140 /nfs/dbraw/zinc/59/21/40/551592140.db2.gz IGFGYFGDGVLEFL-UHFFFAOYSA-N 0 3 375.270 2.605 20 70 GFIDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000159366026 551564130 /nfs/dbraw/zinc/56/41/30/551564130.db2.gz SHKGYUHTAAIKOV-INIZCTEOSA-N 0 3 384.293 2.502 20 70 GFIDHN CCCCOCCN(C(=O)C[C@H]1CNCCO1)c1cccc(Br)c1 ZINC000159370756 551564665 /nfs/dbraw/zinc/56/46/65/551564665.db2.gz PVCAWTBWQCJHMP-KRWDZBQOSA-N 0 3 399.329 2.977 20 70 GFIDHN CCN1CCC(NC(=O)c2c(F)cccc2I)CC1 ZINC000159585851 551567463 /nfs/dbraw/zinc/56/74/63/551567463.db2.gz YIELJXXUMNCISP-UHFFFAOYSA-N 0 3 376.213 2.644 20 70 GFIDHN CS(=O)(=O)c1csc(C(=O)N2CCC[C@H](NCc3ccccc3)C2)c1 ZINC000159613151 551568088 /nfs/dbraw/zinc/56/80/88/551568088.db2.gz FIWIXMIZIVAOID-HNNXBMFYSA-N 0 3 378.519 2.546 20 70 GFIDHN CC[C@H](CNC(=O)CNC[C@@H]1CCCO1)Cc1cccc(Br)c1 ZINC000159756674 551570367 /nfs/dbraw/zinc/57/03/67/551570367.db2.gz WJPGKMOEODUWRT-YOEHRIQHSA-N 0 3 383.330 2.903 20 70 GFIDHN COCCCN(C)CCNC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000160006257 551574312 /nfs/dbraw/zinc/57/43/12/551574312.db2.gz PUOAPKKCJYCYCG-ZDUSSCGKSA-N 0 3 389.309 2.851 20 70 GFIDHN C[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(Br)s1 ZINC000160970430 551588568 /nfs/dbraw/zinc/58/85/68/551588568.db2.gz GYRVWNMVCZKEIO-JTQLQIEISA-N 0 3 396.310 2.577 20 70 GFIDHN C[C@H](NCCC(=O)N(C)Cc1ccccc1Br)c1cnn(C)c1 ZINC000161035866 551588979 /nfs/dbraw/zinc/58/89/79/551588979.db2.gz JKKOCBZFHMMLCY-ZDUSSCGKSA-N 0 3 379.302 2.882 20 70 GFIDHN C[C@@H](Cn1cc(Br)cn1)NCc1ccccc1N1CCOCC1 ZINC000161463921 551594890 /nfs/dbraw/zinc/59/48/90/551594890.db2.gz NCKOEZWHAMQZMJ-AWEZNQCLSA-N 0 3 379.302 2.661 20 70 GFIDHN O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@@H](O)CN1CCCCC1 ZINC000160557227 551582280 /nfs/dbraw/zinc/58/22/80/551582280.db2.gz FZHRVONCCCPLMK-LLVKDONJSA-N 0 3 393.336 2.981 20 70 GFIDHN C[C@@H](CC(=O)NCCCN1CCN(C)CC1)c1ccc(Br)cc1 ZINC000160794009 551585251 /nfs/dbraw/zinc/58/52/51/551585251.db2.gz KPQJDDITESLVPP-HNNXBMFYSA-N 0 3 382.346 2.696 20 70 GFIDHN COc1cc(OC)c(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1Br ZINC000161103345 551590103 /nfs/dbraw/zinc/59/01/03/551590103.db2.gz NATNKXUJMCXLSI-GFCCVEGCSA-N 0 3 396.285 2.944 20 70 GFIDHN CCN(CC)CCCNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000161171306 551591221 /nfs/dbraw/zinc/59/12/21/551591221.db2.gz HQFBCUBPMLFLSE-HNNXBMFYSA-N 0 3 387.933 2.542 20 70 GFIDHN CC1CCN(C[C@@H](O)CNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000159554230 551567071 /nfs/dbraw/zinc/56/70/71/551567071.db2.gz YXTSDTMWEQSWFV-KRWDZBQOSA-N 0 3 397.357 2.936 20 70 GFIDHN COCCCN1CCC(NC(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000159847946 551572258 /nfs/dbraw/zinc/57/22/58/551572258.db2.gz YWUUYESPNUXXMR-UHFFFAOYSA-N 0 3 399.329 2.617 20 70 GFIDHN CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160515280 551581601 /nfs/dbraw/zinc/58/16/01/551581601.db2.gz ITMDJJRMMINTAH-FUHWJXTLSA-N 0 3 397.357 2.981 20 70 GFIDHN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159660454 551568683 /nfs/dbraw/zinc/56/86/83/551568683.db2.gz PVXPZGJVHRTQKK-KMFMINBZSA-N 0 3 383.330 2.889 20 70 GFIDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000160385031 551579723 /nfs/dbraw/zinc/57/97/23/551579723.db2.gz USCQZYFDMNRHNE-NSHDSACASA-N 0 3 388.693 2.642 20 70 GFIDHN CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160515415 551581557 /nfs/dbraw/zinc/58/15/57/551581557.db2.gz ITMDJJRMMINTAH-SJLPKXTDSA-N 0 3 397.357 2.981 20 70 GFIDHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000160560809 551582652 /nfs/dbraw/zinc/58/26/52/551582652.db2.gz JLAPBNFGLRUBOA-YESZJQIVSA-N 0 3 381.314 2.516 20 70 GFIDHN CCN1CCC[C@H]1CNC(=O)c1cc(I)c(F)cc1F ZINC000161084924 551590327 /nfs/dbraw/zinc/59/03/27/551590327.db2.gz PIAKIJLVFRGNKP-VIFPVBQESA-N 0 3 394.203 2.784 20 70 GFIDHN CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CN3CCCCCC3)C2)cs1 ZINC000161209806 551591135 /nfs/dbraw/zinc/59/11/35/551591135.db2.gz KMHIZDCTEQARRY-HNNXBMFYSA-N 0 3 384.567 2.880 20 70 GFIDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc[nH]c1=O ZINC000161505588 551595013 /nfs/dbraw/zinc/59/50/13/551595013.db2.gz GZHDLLOCDNFDBZ-UHFFFAOYSA-N 0 3 378.270 2.754 20 70 GFIDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000159400610 551564829 /nfs/dbraw/zinc/56/48/29/551564829.db2.gz UIWLCBJRMAEXKG-INIZCTEOSA-N 0 3 376.551 2.786 20 70 GFIDHN COCCN1CCC(NC(=O)CCc2cc(Br)ccc2F)CC1 ZINC000160299812 551578864 /nfs/dbraw/zinc/57/88/64/551578864.db2.gz MCSINDDHILFUCQ-UHFFFAOYSA-N 0 3 387.293 2.748 20 70 GFIDHN C[C@@H](Cn1cc(Br)cn1)NCc1ccc(CN2CCOCC2)cc1 ZINC000160602761 551583298 /nfs/dbraw/zinc/58/32/98/551583298.db2.gz GFOTYBZLOVIMBD-HNNXBMFYSA-N 0 3 393.329 2.656 20 70 GFIDHN C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000161342313 551593180 /nfs/dbraw/zinc/59/31/80/551593180.db2.gz ZCYPTZBGMKTYOK-GXSJLCMTSA-N 0 3 398.834 2.853 20 70 GFIDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000159379605 551564838 /nfs/dbraw/zinc/56/48/38/551564838.db2.gz GCZAUPUPUTWBCU-MRXNPFEDSA-N 0 3 384.293 2.502 20 70 GFIDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159488727 551565976 /nfs/dbraw/zinc/56/59/76/551565976.db2.gz IZHJHLOHWCQJPB-ZDUSSCGKSA-N 0 3 390.281 2.505 20 70 GFIDHN CC(C)OCCN1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000159937364 551573062 /nfs/dbraw/zinc/57/30/62/551573062.db2.gz RJTCEPFTDONVKA-UHFFFAOYSA-N 0 3 381.318 2.868 20 70 GFIDHN CC1CCN(C[C@H]2CCCN(C(=O)c3csc(S(C)(=O)=O)c3)C2)CC1 ZINC000160411701 551579999 /nfs/dbraw/zinc/57/99/99/551579999.db2.gz WUTLFXOGJLWBSE-OAHLLOKOSA-N 0 3 384.567 2.736 20 70 GFIDHN CC[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000161263718 551592170 /nfs/dbraw/zinc/59/21/70/551592170.db2.gz VHWRVSLTCVLYHH-DLBZAZTESA-N 0 3 380.897 2.686 20 70 GFIDHN Brc1cc2c(cc1CN1CCN(c3ccncc3)CC1)OCCO2 ZINC000161402011 551594039 /nfs/dbraw/zinc/59/40/39/551594039.db2.gz JKFJXHFXPZQBGS-UHFFFAOYSA-N 0 3 390.281 2.938 20 70 GFIDHN Brc1ccc2[nH]c(CN3CCN(C4CCOCC4)CC3)nc2c1 ZINC000159970517 551573889 /nfs/dbraw/zinc/57/38/89/551573889.db2.gz ZZDQWMBDZVJGOP-UHFFFAOYSA-N 0 3 379.302 2.622 20 70 GFIDHN Brc1ccc2nc(CN3CCN(C4CCOCC4)CC3)[nH]c2c1 ZINC000159970517 551573891 /nfs/dbraw/zinc/57/38/91/551573891.db2.gz ZZDQWMBDZVJGOP-UHFFFAOYSA-N 0 3 379.302 2.622 20 70 GFIDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000160384890 551579964 /nfs/dbraw/zinc/57/99/64/551579964.db2.gz USCQZYFDMNRHNE-LLVKDONJSA-N 0 3 388.693 2.642 20 70 GFIDHN Brc1ccc2[nH]c(CN3CCC[C@H](CN4CCOCC4)C3)nc2c1 ZINC000159632314 551568750 /nfs/dbraw/zinc/56/87/50/551568750.db2.gz KLWDDYTUGSVFRQ-CQSZACIVSA-N 0 3 393.329 2.870 20 70 GFIDHN Brc1ccc2nc(CN3CCC[C@H](CN4CCOCC4)C3)[nH]c2c1 ZINC000159632314 551568751 /nfs/dbraw/zinc/56/87/51/551568751.db2.gz KLWDDYTUGSVFRQ-CQSZACIVSA-N 0 3 393.329 2.870 20 70 GFIDHN CSC[C@H](CCO)N[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000160361519 551579287 /nfs/dbraw/zinc/57/92/87/551579287.db2.gz SENIQKSXXFMHNR-RDJZCZTQSA-N 0 3 386.583 2.626 20 70 GFIDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000160420437 551579700 /nfs/dbraw/zinc/57/97/00/551579700.db2.gz BLLCDFDLIJYOKU-JTQLQIEISA-N 0 3 390.709 2.888 20 70 GFIDHN CC(=O)Nc1ccccc1CNC[C@H](O)COc1ccccc1Br ZINC000160575674 551582647 /nfs/dbraw/zinc/58/26/47/551582647.db2.gz DCLKEFJHVVXIBR-HNNXBMFYSA-N 0 3 393.281 2.937 20 70 GFIDHN CC(C)[C@H](N)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000160787102 551585257 /nfs/dbraw/zinc/58/52/57/551585257.db2.gz JMZIANNRUDWZQN-ZDUSSCGKSA-N 0 3 382.251 2.958 20 70 GFIDHN CC(C)[C@@H](N)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000159524667 551566269 /nfs/dbraw/zinc/56/62/69/551566269.db2.gz YCOBWXXEZDKVPV-CQSZACIVSA-N 0 3 375.332 2.661 20 70 GFIDHN C[C@H](CC(=O)Nc1cccc(Br)c1)NCC(C)(C)S(C)(=O)=O ZINC000159818489 551571591 /nfs/dbraw/zinc/57/15/91/551571591.db2.gz KPGKVDLRHMRYIK-LLVKDONJSA-N 0 3 391.331 2.579 20 70 GFIDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000160560758 551582650 /nfs/dbraw/zinc/58/26/50/551582650.db2.gz XRSRYFPRDXJMIH-UHFFFAOYSA-N 0 3 380.535 2.876 20 70 GFIDHN COC(=O)CC1(NCc2nc3ccc(Br)cc3[nH]2)CCOCC1 ZINC000160702251 551584543 /nfs/dbraw/zinc/58/45/43/551584543.db2.gz PEOHIEVSOPVDFA-UHFFFAOYSA-N 0 3 382.258 2.527 20 70 GFIDHN Cc1cc(S(=O)(=O)N(C)CC2CCN(C[C@@H](C)O)CC2)c(Cl)cc1F ZINC000161430826 551594393 /nfs/dbraw/zinc/59/43/93/551594393.db2.gz ISMXNKIGEFVLFJ-CYBMUJFWSA-N 0 3 392.924 2.501 20 70 GFIDHN CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccc(OCC(F)F)cc1 ZINC000159391559 551564450 /nfs/dbraw/zinc/56/44/50/551564450.db2.gz ZGZQWEGBGCDZJP-HNNXBMFYSA-N 0 3 376.469 2.624 20 70 GFIDHN Cc1[nH]ncc1CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000159533072 551566324 /nfs/dbraw/zinc/56/63/24/551566324.db2.gz KEIQINPMWOXQAX-UHFFFAOYSA-N 0 3 389.308 2.531 20 70 GFIDHN O=C(CCCOc1cccc(Br)c1)NC[C@H](O)CN1CCCCC1 ZINC000160337804 551579420 /nfs/dbraw/zinc/57/94/20/551579420.db2.gz ZAQUQITUGOPGPB-INIZCTEOSA-N 0 3 399.329 2.571 20 70 GFIDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000160420329 551580009 /nfs/dbraw/zinc/58/00/09/551580009.db2.gz BLLCDFDLIJYOKU-SNVBAGLBSA-N 0 3 390.709 2.888 20 70 GFIDHN CS(=O)(=O)c1cc(C(=O)N2CCC[C@H](CN3CCCCCC3)C2)cs1 ZINC000161209685 551591209 /nfs/dbraw/zinc/59/12/09/551591209.db2.gz KMHIZDCTEQARRY-OAHLLOKOSA-N 0 3 384.567 2.880 20 70 GFIDHN CCCN(CCO)Cc1cc(I)c(OC)c(OC)c1 ZINC000161228448 551591755 /nfs/dbraw/zinc/59/17/55/551591755.db2.gz RPSDJWKOFRWWTQ-UHFFFAOYSA-N 0 3 379.238 2.513 20 70 GFIDHN CC(C)N1C[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)[C@@H](C)C1 ZINC000161416605 551594354 /nfs/dbraw/zinc/59/43/54/551594354.db2.gz JNDWPQZOOQAULA-NHYWBVRUSA-N 0 3 392.297 2.749 20 70 GFIDHN CC(=O)Nc1ccccc1CNCCNC(=O)c1ccc(Br)cc1 ZINC000160346170 551579137 /nfs/dbraw/zinc/57/91/37/551579137.db2.gz GTESAHGMJIXPEC-UHFFFAOYSA-N 0 3 390.281 2.927 20 70 GFIDHN CC(=O)Nc1ccccc1CNC[C@@H](O)COc1ccccc1Br ZINC000160575788 551582722 /nfs/dbraw/zinc/58/27/22/551582722.db2.gz DCLKEFJHVVXIBR-OAHLLOKOSA-N 0 3 393.281 2.937 20 70 GFIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000161416488 551594259 /nfs/dbraw/zinc/59/42/59/551594259.db2.gz JNDWPQZOOQAULA-ABAIWWIYSA-N 0 3 392.297 2.749 20 70 GFIDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000161456925 551594594 /nfs/dbraw/zinc/59/45/94/551594594.db2.gz GXAFUMHZBLIFJL-GFCCVEGCSA-N 0 3 395.352 2.707 20 70 GFIDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000159367285 551563956 /nfs/dbraw/zinc/56/39/56/551563956.db2.gz KZRAIPOBCORNMX-INIZCTEOSA-N 0 3 384.293 2.502 20 70 GFIDHN CC[C@@H](C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)N(C)C ZINC000160841997 551586014 /nfs/dbraw/zinc/58/60/14/551586014.db2.gz RHECUCIZLBCJTG-KRWDZBQOSA-N 0 3 382.346 2.870 20 70 GFIDHN C[C@@H](NCC1(c2ccc(Br)cc2)CCCC1)C(=O)N1CCNC1=O ZINC000161220463 551591338 /nfs/dbraw/zinc/59/13/38/551591338.db2.gz CHXCVAXMHWOJNN-CYBMUJFWSA-N 0 3 394.313 2.791 20 70 GFIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Cl)cc1Br ZINC000160183848 551576833 /nfs/dbraw/zinc/57/68/33/551576833.db2.gz DXDCILVCSKAWSD-LBPRGKRZSA-N 0 3 375.694 2.679 20 70 GFIDHN CN1CCCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)CC1 ZINC000160236234 551577902 /nfs/dbraw/zinc/57/79/02/551577902.db2.gz ZMQVQZFCDUGKMJ-UHFFFAOYSA-N 0 3 392.301 2.863 20 70 GFIDHN C[C@@H](NC1CCN(CC(=O)N(C)C)CC1)c1ccc(F)cc1Br ZINC000160381661 551580077 /nfs/dbraw/zinc/58/00/77/551580077.db2.gz SOSWJBHIGUEOGE-GFCCVEGCSA-N 0 3 386.309 2.791 20 70 GFIDHN C[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(Br)s1 ZINC000160459687 551580488 /nfs/dbraw/zinc/58/04/88/551580488.db2.gz FQNMGXBPNTZIKH-VXGBXAGGSA-N 0 3 375.332 2.577 20 70 GFIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(I)cc1)CC2 ZINC000160526347 551581667 /nfs/dbraw/zinc/58/16/67/551581667.db2.gz VJUVCJVFRGTCDS-YGRLFVJLSA-N 0 3 382.249 2.857 20 70 GFIDHN COc1cc(OC)c(NC(=O)NC[C@@H]2CCCN(C)C2)cc1Br ZINC000161124471 551590921 /nfs/dbraw/zinc/59/09/21/551590921.db2.gz ZFGFFHXBNJTYPU-NSHDSACASA-N 0 3 386.290 2.930 20 70 GFIDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000161431123 551594434 /nfs/dbraw/zinc/59/44/34/551594434.db2.gz USRLXUOQYLMKDJ-LBPRGKRZSA-N 0 3 395.352 2.707 20 70 GFIDHN O=C(NCC1CCN(CCO)CC1)c1cc(Br)ccc1Cl ZINC000160581303 551582872 /nfs/dbraw/zinc/58/28/72/551582872.db2.gz KJVDAIBNRHDZQE-UHFFFAOYSA-N 0 3 375.694 2.537 20 70 GFIDHN CN(CCNC(=O)c1cncc(I)c1)Cc1ccccc1 ZINC000160891994 551586888 /nfs/dbraw/zinc/58/68/88/551586888.db2.gz VSDXNJZFGMNWPT-UHFFFAOYSA-N 0 3 395.244 2.548 20 70 GFIDHN CCCS(=O)(=O)[N-]c1cc(NC(=O)C(CC)(CC)C[NH3+])c(F)cc1F ZINC000161207820 551591185 /nfs/dbraw/zinc/59/11/85/551591185.db2.gz CUBCOBSINUJGPX-UHFFFAOYSA-N 0 3 377.457 2.820 20 70 GFIDHN Cc1sc(C(=O)NCc2ccc(CN(C)C)cc2)cc1CS(C)(=O)=O ZINC000159711815 551569595 /nfs/dbraw/zinc/56/95/95/551569595.db2.gz FJUNSQMRPCNWCW-UHFFFAOYSA-N 0 3 380.535 2.593 20 70 GFIDHN C[C@H](NCC1(c2ccc(Br)cc2)CCCC1)C(=O)N1CCNC1=O ZINC000161220360 551591794 /nfs/dbraw/zinc/59/17/94/551591794.db2.gz CHXCVAXMHWOJNN-ZDUSSCGKSA-N 0 3 394.313 2.791 20 70 GFIDHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2nc3ccc(Br)cc3[nH]2)CN1 ZINC000161299761 551592557 /nfs/dbraw/zinc/59/25/57/551592557.db2.gz WQAGSZYUPSNLSX-ABAIWWIYSA-N 0 3 377.286 2.816 20 70 GFIDHN CS(=O)(=O)CCN1CCC(N[C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000159913390 551573280 /nfs/dbraw/zinc/57/32/80/551573280.db2.gz JOMFYXDHCCUHNL-QGZVFWFLSA-N 0 3 386.945 2.652 20 70 GFIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(Cl)ccc1Br ZINC000160616263 551583130 /nfs/dbraw/zinc/58/31/30/551583130.db2.gz UATCHYJDKDRNME-LBPRGKRZSA-N 0 3 375.694 2.679 20 70 GFIDHN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCC1CCN(CCO)CC1 ZINC000160644500 551583976 /nfs/dbraw/zinc/58/39/76/551583976.db2.gz GRNAVRUGPLNTMS-GFCCVEGCSA-N 0 3 375.296 2.581 20 70 GFIDHN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1ccc(OCC(F)F)cc1 ZINC000159391690 551564478 /nfs/dbraw/zinc/56/44/78/551564478.db2.gz ZGZQWEGBGCDZJP-OAHLLOKOSA-N 0 3 376.469 2.624 20 70 GFIDHN COC(=O)Cn1cc(CCN(Cc2cccs2)Cc2cccs2)nn1 ZINC000159519565 551566308 /nfs/dbraw/zinc/56/63/08/551566308.db2.gz AMSKCSIYYLBGNM-UHFFFAOYSA-N 0 3 376.507 2.819 20 70 GFIDHN CN1CCC(NC(=O)Nc2cc(F)c(I)c(F)c2)CC1 ZINC000160896117 551586971 /nfs/dbraw/zinc/58/69/71/551586971.db2.gz DHVQVAKRLZRLJK-UHFFFAOYSA-N 0 3 395.191 2.785 20 70 GFIDHN Cc1cc(NC(=O)CN2CCN(c3ccncc3)CC2)ccc1Br ZINC000161295109 551592923 /nfs/dbraw/zinc/59/29/23/551592923.db2.gz GBRNIXYJPBXQNB-UHFFFAOYSA-N 0 3 389.297 2.913 20 70 GFIDHN NC(=O)[C@@H]1CCCN1C1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000159413455 551564620 /nfs/dbraw/zinc/56/46/20/551564620.db2.gz OUNRXGLYBRBKQH-HNNXBMFYSA-N 0 3 376.551 2.786 20 70 GFIDHN CCN1CCCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000159720499 551569545 /nfs/dbraw/zinc/56/95/45/551569545.db2.gz VFWSYQXZSDOZGW-UHFFFAOYSA-N 0 3 397.317 2.515 20 70 GFIDHN C[C@H](CSC(C)(C)C)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159747336 551570159 /nfs/dbraw/zinc/57/01/59/551570159.db2.gz JHCZEYIWYJAICF-OAHLLOKOSA-N 0 3 386.583 2.717 20 70 GFIDHN C[C@H](NC1CCN(CC(=O)N(C)C)CC1)c1ccc(F)cc1Br ZINC000160381550 551580030 /nfs/dbraw/zinc/58/00/30/551580030.db2.gz SOSWJBHIGUEOGE-LBPRGKRZSA-N 0 3 386.309 2.791 20 70 GFIDHN O=C(CCCc1ccc(Br)s1)NC[C@H](O)CN1CCCCC1 ZINC000160643967 551583740 /nfs/dbraw/zinc/58/37/40/551583740.db2.gz SZINIHNSQKBIMY-ZDUSSCGKSA-N 0 3 389.359 2.796 20 70 GFIDHN Cc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000160942755 551588007 /nfs/dbraw/zinc/58/80/07/551588007.db2.gz KKYRCMKSRJWNCR-HNNXBMFYSA-N 0 3 380.535 2.928 20 70 GFIDHN COc1ccc(Br)c(C(=O)NCCCN[C@H](C)c2cnccn2)c1 ZINC000159604916 551567838 /nfs/dbraw/zinc/56/78/38/551567838.db2.gz AKROBXBNONYLJM-GFCCVEGCSA-N 0 3 393.285 2.718 20 70 GFIDHN CC[C@H](CNC(=O)CNC[C@H]1CCCO1)Cc1cccc(Br)c1 ZINC000159756906 551570167 /nfs/dbraw/zinc/57/01/67/551570167.db2.gz WJPGKMOEODUWRT-WMLDXEAASA-N 0 3 383.330 2.903 20 70 GFIDHN O=C(CNC1CCN(Cc2c(F)cccc2Cl)CC1)NCC(F)(F)F ZINC000160622735 551583502 /nfs/dbraw/zinc/58/35/02/551583502.db2.gz BQMRKXDTXQJRIB-UHFFFAOYSA-N 0 3 381.801 2.712 20 70 GFIDHN C[C@H](CNC(=O)C1(N)Cc2ccccc2C1)Oc1ccccc1Br ZINC000161140241 551590905 /nfs/dbraw/zinc/59/09/05/551590905.db2.gz PDYQVROKFJPDBT-CYBMUJFWSA-N 0 3 389.293 2.829 20 70 GFIDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000159400460 551564501 /nfs/dbraw/zinc/56/45/01/551564501.db2.gz UIWLCBJRMAEXKG-MRXNPFEDSA-N 0 3 376.551 2.786 20 70 GFIDHN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000159379916 551564577 /nfs/dbraw/zinc/56/45/77/551564577.db2.gz AJUOVTDKWJMQRX-CQSZACIVSA-N 0 3 382.302 2.921 20 70 GFIDHN CCN1CCC[C@@H]1CNC(=O)c1cc(F)c(F)cc1I ZINC000159569959 551566722 /nfs/dbraw/zinc/56/67/22/551566722.db2.gz UKLLSPYHNZRUFX-SECBINFHSA-N 0 3 394.203 2.784 20 70 GFIDHN CC[C@@H](CNC(=O)CNC[C@H]1CCCO1)Cc1cccc(Br)c1 ZINC000159757037 551570553 /nfs/dbraw/zinc/57/05/53/551570553.db2.gz WJPGKMOEODUWRT-RHSMWYFYSA-N 0 3 383.330 2.903 20 70 GFIDHN C[C@@H](Cn1cc(Br)cn1)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160719668 551584502 /nfs/dbraw/zinc/58/45/02/551584502.db2.gz SUADNROWTSUEMR-YOEHRIQHSA-N 0 3 391.313 2.987 20 70 GFIDHN O=C1C[C@@H]([C@H]2CCCCN2Cc2nc3ccc(Br)cc3[nH]2)CN1 ZINC000161299656 551592645 /nfs/dbraw/zinc/59/26/45/551592645.db2.gz WQAGSZYUPSNLSX-IAQYHMDHSA-N 0 3 377.286 2.816 20 70 GFIDHN C[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(Br)s1 ZINC000160970569 551588644 /nfs/dbraw/zinc/58/86/44/551588644.db2.gz GYRVWNMVCZKEIO-SNVBAGLBSA-N 0 3 396.310 2.577 20 70 GFIDHN COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)c2cnn(C)c2)c1 ZINC000159606426 551568036 /nfs/dbraw/zinc/56/80/36/551568036.db2.gz LYPDMRHXTIEMBQ-LBPRGKRZSA-N 0 3 395.301 2.662 20 70 GFIDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000160361766 551579428 /nfs/dbraw/zinc/57/94/28/551579428.db2.gz SENIQKSXXFMHNR-DOTOQJQBSA-N 0 3 386.583 2.626 20 70 GFIDHN CC1CCN(C[C@@H]2CCCN(C(=O)c3csc(S(C)(=O)=O)c3)C2)CC1 ZINC000160411589 551579880 /nfs/dbraw/zinc/57/98/80/551579880.db2.gz WUTLFXOGJLWBSE-HNNXBMFYSA-N 0 3 384.567 2.736 20 70 GFIDHN C[C@@H](CNC(=O)c1cncc(I)c1)N1CCC(C)CC1 ZINC000161382896 551593782 /nfs/dbraw/zinc/59/37/82/551593782.db2.gz FMAXHQATHHTMDH-LBPRGKRZSA-N 0 3 387.265 2.536 20 70 GFIDHN NC(=O)[C@H]1CCCN1C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000159403158 551564658 /nfs/dbraw/zinc/56/46/58/551564658.db2.gz GBQSCGJWDZBTMZ-MRXNPFEDSA-N 0 3 386.323 2.786 20 70 GFIDHN CCN1CCC[C@H]1CNC(=O)c1cc(F)c(F)cc1I ZINC000159570108 551566774 /nfs/dbraw/zinc/56/67/74/551566774.db2.gz UKLLSPYHNZRUFX-VIFPVBQESA-N 0 3 394.203 2.784 20 70 GFIDHN Cc1cc(Br)cc2cc(C(=O)NCC3CCN(CCO)CC3)oc21 ZINC000160756383 551585189 /nfs/dbraw/zinc/58/51/89/551585189.db2.gz CFTAXBWXVUAHFO-UHFFFAOYSA-N 0 3 395.297 2.938 20 70 GFIDHN CCN1CCC[C@@H]1CNC(=O)c1c(F)cccc1I ZINC000159572893 551566787 /nfs/dbraw/zinc/56/67/87/551566787.db2.gz ZPTYPCRUMITWGY-SNVBAGLBSA-N 0 3 376.213 2.644 20 70 GFIDHN CCCNC(=O)c1cccc(CN[C@@H](C)Cn2cc(Br)cn2)c1 ZINC000160600519 551582607 /nfs/dbraw/zinc/58/26/07/551582607.db2.gz NKAVEYGOEZBDGP-ZDUSSCGKSA-N 0 3 379.302 2.964 20 70 GFIDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000161471983 551595003 /nfs/dbraw/zinc/59/50/03/551595003.db2.gz HSYDKDOHJQRCLU-LBPRGKRZSA-N 0 3 395.352 2.707 20 70 GFIDHN COc1ccc(Br)c(CC(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000159617976 551567938 /nfs/dbraw/zinc/56/79/38/551567938.db2.gz PUQGZJYFUKYSRW-INIZCTEOSA-N 0 3 399.329 2.569 20 70 GFIDHN C[C@H](Cn1cc(Br)cn1)NCc1ccccc1CN1CCOCC1 ZINC000160466562 551580996 /nfs/dbraw/zinc/58/09/96/551580996.db2.gz HAORQDLGFAIUSL-OAHLLOKOSA-N 0 3 393.329 2.656 20 70 GFIDHN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160617728 551583450 /nfs/dbraw/zinc/58/34/50/551583450.db2.gz JODIBIOKFQDXRV-OLZOCXBDSA-N 0 3 375.296 2.724 20 70 GFIDHN O=C(NC1CCN(C2CC2)CC1)c1cn(-c2ccc(Br)cc2)cn1 ZINC000161294816 551592570 /nfs/dbraw/zinc/59/25/70/551592570.db2.gz UUJKYFGFMDRPHO-UHFFFAOYSA-N 0 3 389.297 2.991 20 70 GFIDHN C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000161342613 551593502 /nfs/dbraw/zinc/59/35/02/551593502.db2.gz ZCYPTZBGMKTYOK-KOLCDFICSA-N 0 3 398.834 2.853 20 70 GFIDHN CC1CCN(C[C@H](O)CNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000159554092 551567016 /nfs/dbraw/zinc/56/70/16/551567016.db2.gz YXTSDTMWEQSWFV-QGZVFWFLSA-N 0 3 397.357 2.936 20 70 GFIDHN C[C@@H](CSC(C)(C)C)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159747215 551570544 /nfs/dbraw/zinc/57/05/44/551570544.db2.gz JHCZEYIWYJAICF-HNNXBMFYSA-N 0 3 386.583 2.717 20 70 GFIDHN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCC1CCN(CCO)CC1 ZINC000160644379 551583676 /nfs/dbraw/zinc/58/36/76/551583676.db2.gz GRNAVRUGPLNTMS-LBPRGKRZSA-N 0 3 375.296 2.581 20 70 GFIDHN C[C@H](Cn1cc(Br)cn1)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000160720038 551584068 /nfs/dbraw/zinc/58/40/68/551584068.db2.gz SUADNROWTSUEMR-RHSMWYFYSA-N 0 3 391.313 2.987 20 70 GFIDHN CCN1CCC[C@@H]1CNC(=O)c1cc(I)c(F)cc1F ZINC000161084771 551590260 /nfs/dbraw/zinc/59/02/60/551590260.db2.gz PIAKIJLVFRGNKP-SECBINFHSA-N 0 3 394.203 2.784 20 70 GFIDHN COc1cc(OC)c(NC(=O)NC[C@H]2CCCN(C)C2)cc1Br ZINC000161124371 551590794 /nfs/dbraw/zinc/59/07/94/551590794.db2.gz ZFGFFHXBNJTYPU-LLVKDONJSA-N 0 3 386.290 2.930 20 70 GFIDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000161431253 551594503 /nfs/dbraw/zinc/59/45/03/551594503.db2.gz USRLXUOQYLMKDJ-GFCCVEGCSA-N 0 3 395.352 2.707 20 70 GFIDHN COc1ccc(Br)c(C(=O)NCCCN[C@H](C)c2cnn(C)c2)c1 ZINC000159606532 551568013 /nfs/dbraw/zinc/56/80/13/551568013.db2.gz LYPDMRHXTIEMBQ-GFCCVEGCSA-N 0 3 395.301 2.662 20 70 GFIDHN Cc1ccc(Br)c(C(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)c1 ZINC000159822920 551571659 /nfs/dbraw/zinc/57/16/59/551571659.db2.gz APVQXCCSWMVQIT-INIZCTEOSA-N 0 3 394.357 3.000 20 70 GFIDHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000160611600 551583145 /nfs/dbraw/zinc/58/31/45/551583145.db2.gz NFIJZCKTEKFMII-SNVBAGLBSA-N 0 3 399.713 2.956 20 70 GFIDHN COCCN1CCC[C@@H]1CNC(=O)CSc1cccc(Br)c1 ZINC000161304227 551592815 /nfs/dbraw/zinc/59/28/15/551592815.db2.gz PEKXJANPNVIZOB-CQSZACIVSA-N 0 3 387.343 2.768 20 70 GFIDHN CC(C)[C@H](N)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000159524544 551566497 /nfs/dbraw/zinc/56/64/97/551566497.db2.gz YCOBWXXEZDKVPV-AWEZNQCLSA-N 0 3 375.332 2.661 20 70 GFIDHN CC1CCN(C[C@H](O)CNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000159560229 551566870 /nfs/dbraw/zinc/56/68/70/551566870.db2.gz SSDTWPBOTNUQEA-QGZVFWFLSA-N 0 3 397.357 2.936 20 70 GFIDHN Cc1ccc(Br)c(C(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)c1 ZINC000159823051 551571403 /nfs/dbraw/zinc/57/14/03/551571403.db2.gz APVQXCCSWMVQIT-MRXNPFEDSA-N 0 3 394.357 3.000 20 70 GFIDHN COc1cc(CN[C@H](C)Cn2cc(Br)cn2)cc(OC)c1OC ZINC000160652491 551583720 /nfs/dbraw/zinc/58/37/20/551583720.db2.gz FAHBGBPYKWCWKT-LLVKDONJSA-N 0 3 384.274 2.850 20 70 GFIDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cncc(I)c1 ZINC000160928275 551587313 /nfs/dbraw/zinc/58/73/13/551587313.db2.gz FYLTUDUNQQVXLK-VXGBXAGGSA-N 0 3 387.265 2.536 20 70 GFIDHN CC[C@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000161263609 551591993 /nfs/dbraw/zinc/59/19/93/551591993.db2.gz VHWRVSLTCVLYHH-IRXDYDNUSA-N 0 3 380.897 2.686 20 70 GFIDHN C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000161342501 551593522 /nfs/dbraw/zinc/59/35/22/551593522.db2.gz ZCYPTZBGMKTYOK-ONGXEEELSA-N 0 3 398.834 2.853 20 70 GFIDHN NC(=O)[C@@H]1CCCN1C1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000159430214 551565144 /nfs/dbraw/zinc/56/51/44/551565144.db2.gz MHVNCGKYMOKZSH-KRWDZBQOSA-N 0 3 386.323 2.786 20 70 GFIDHN CC1CCN(C[C@@H](O)CNC(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000159560369 551566908 /nfs/dbraw/zinc/56/69/08/551566908.db2.gz SSDTWPBOTNUQEA-KRWDZBQOSA-N 0 3 397.357 2.936 20 70 GFIDHN O=C(NC[C@H](O)CN1CCCCC1)c1[nH]c2ccccc2c1Br ZINC000160618401 551583425 /nfs/dbraw/zinc/58/34/25/551583425.db2.gz LNRDNWBVTCQJRW-LBPRGKRZSA-N 0 3 380.286 2.507 20 70 GFIDHN NC(=O)[C@H](c1cccc(Br)c1)N1CCN(C2CCCCC2)CC1 ZINC000161401150 551594103 /nfs/dbraw/zinc/59/41/03/551594103.db2.gz ODVAKBSJQJAIEB-KRWDZBQOSA-N 0 3 380.330 2.926 20 70 GFIDHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(Br)ccc1Cl ZINC000160500080 551581250 /nfs/dbraw/zinc/58/12/50/551581250.db2.gz VMIKDHMEHSYIRZ-LBPRGKRZSA-N 0 3 375.694 2.679 20 70 GFIDHN O[C@H](COc1ccc(Br)cc1)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160818143 551585949 /nfs/dbraw/zinc/58/59/49/551585949.db2.gz QIZFDPKZAJZQAV-UWWQBHOKSA-N 0 3 384.314 2.816 20 70 GFIDHN CCCN1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000159927246 551573021 /nfs/dbraw/zinc/57/30/21/551573021.db2.gz JDPZOKKLLLCTKI-UHFFFAOYSA-N 0 3 392.297 2.849 20 70 GFIDHN CCN1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 ZINC000159947325 551573783 /nfs/dbraw/zinc/57/37/83/551573783.db2.gz IESVEGHZIPSIIK-CQSZACIVSA-N 0 3 384.318 2.954 20 70 GFIDHN NC(=O)[C@H]1CCCN1C1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000159365896 551564179 /nfs/dbraw/zinc/56/41/79/551564179.db2.gz SHKGYUHTAAIKOV-MRXNPFEDSA-N 0 3 384.293 2.502 20 70 GFIDHN Brc1ccc2[nH]c(CN3CCC[C@@H](CN4CCOCC4)C3)nc2c1 ZINC000159632498 551568629 /nfs/dbraw/zinc/56/86/29/551568629.db2.gz KLWDDYTUGSVFRQ-AWEZNQCLSA-N 0 3 393.329 2.870 20 70 GFIDHN Brc1ccc2nc(CN3CCC[C@@H](CN4CCOCC4)C3)[nH]c2c1 ZINC000159632498 551568630 /nfs/dbraw/zinc/56/86/30/551568630.db2.gz KLWDDYTUGSVFRQ-AWEZNQCLSA-N 0 3 393.329 2.870 20 70 GFIDHN CCCCN(C)CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159949331 551573508 /nfs/dbraw/zinc/57/35/08/551573508.db2.gz AFESZBKIUVNLGS-UHFFFAOYSA-N 0 3 380.286 2.752 20 70 GFIDHN O=C(NCC1CCN(CCO)CC1)Nc1ccc(Br)c(Cl)c1 ZINC000161305292 551592753 /nfs/dbraw/zinc/59/27/53/551592753.db2.gz NVOWSYUTLMFCNG-UHFFFAOYSA-N 0 3 390.709 2.928 20 70 GFIDHN NC(=O)[C@@H](c1cccc(Br)c1)N1CCN(C2CCCCC2)CC1 ZINC000161401268 551594076 /nfs/dbraw/zinc/59/40/76/551594076.db2.gz ODVAKBSJQJAIEB-QGZVFWFLSA-N 0 3 380.330 2.926 20 70 GFIDHN CC[C@@H](CNC(=O)CNC[C@@H]1CCCO1)Cc1cccc(Br)c1 ZINC000159756779 551570389 /nfs/dbraw/zinc/57/03/89/551570389.db2.gz WJPGKMOEODUWRT-PBHICJAKSA-N 0 3 383.330 2.903 20 70 GFIDHN C[C@H](CC(=O)Nc1ccc(Br)cc1)NCC(C)(C)S(C)(=O)=O ZINC000159922978 551572996 /nfs/dbraw/zinc/57/29/96/551572996.db2.gz WPHYFZGDNLALNP-LLVKDONJSA-N 0 3 391.331 2.579 20 70 GFIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(Br)cc1Cl ZINC000160124327 551575700 /nfs/dbraw/zinc/57/57/00/551575700.db2.gz AGHJLTHVWKHJOM-GFCCVEGCSA-N 0 3 375.694 2.679 20 70 GFIDHN COc1cc(CN[C@@H](C)Cn2cc(Br)cn2)cc(OC)c1OC ZINC000160652359 551583865 /nfs/dbraw/zinc/58/38/65/551583865.db2.gz FAHBGBPYKWCWKT-NSHDSACASA-N 0 3 384.274 2.850 20 70 GFIDHN CCN1CCC(NC(=O)c2cc(F)c(F)cc2I)CC1 ZINC000159584337 551567553 /nfs/dbraw/zinc/56/75/53/551567553.db2.gz GTGFKIGYVHMFRK-UHFFFAOYSA-N 0 3 394.203 2.784 20 70 GFIDHN CS(=O)(=O)CCN1CCC(N[C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000159894230 551572746 /nfs/dbraw/zinc/57/27/46/551572746.db2.gz DDBGMVKPNRBJJS-QGZVFWFLSA-N 0 3 386.945 2.652 20 70 GFIDHN COc1cc(OC)c(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1Br ZINC000161103219 551590235 /nfs/dbraw/zinc/59/02/35/551590235.db2.gz NATNKXUJMCXLSI-LBPRGKRZSA-N 0 3 396.285 2.944 20 70 GFIDHN C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000161342412 551593234 /nfs/dbraw/zinc/59/32/34/551593234.db2.gz ZCYPTZBGMKTYOK-MWLCHTKSSA-N 0 3 398.834 2.853 20 70 GFIDHN CNC(=O)NC(=O)[C@H](C)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000161221170 551591615 /nfs/dbraw/zinc/59/16/15/551591615.db2.gz OIIRVDBATXEUGH-LBPRGKRZSA-N 0 3 382.302 2.695 20 70 GFIDHN COCCN1CCC[C@H]1CNC(=O)CSc1cccc(Br)c1 ZINC000161304358 551592583 /nfs/dbraw/zinc/59/25/83/551592583.db2.gz PEKXJANPNVIZOB-AWEZNQCLSA-N 0 3 387.343 2.768 20 70 GFIDHN Cc1cc(Br)ccc1NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161346766 551593479 /nfs/dbraw/zinc/59/34/79/551593479.db2.gz PZMIMJDLZFSLIW-UHFFFAOYSA-N 0 3 389.297 2.913 20 70 GFIDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000161456796 551594509 /nfs/dbraw/zinc/59/45/09/551594509.db2.gz GXAFUMHZBLIFJL-LBPRGKRZSA-N 0 3 395.352 2.707 20 70 GFIDHN COc1ccc(Br)c(CC(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000159618103 551567811 /nfs/dbraw/zinc/56/78/11/551567811.db2.gz PUQGZJYFUKYSRW-MRXNPFEDSA-N 0 3 399.329 2.569 20 70 GFIDHN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC(C)(C)S(C)(=O)=O ZINC000159843133 551572037 /nfs/dbraw/zinc/57/20/37/551572037.db2.gz WNWTYNQGYLXJQT-LLVKDONJSA-N 0 3 380.432 2.835 20 70 GFIDHN CC(C)(C(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(Br)cc1 ZINC000160425406 551580633 /nfs/dbraw/zinc/58/06/33/551580633.db2.gz PKCMOGYDPSUJMT-MRXNPFEDSA-N 0 3 383.330 2.690 20 70 GFIDHN O=C(CCC(=O)c1cc(Cl)sc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000160557120 551582265 /nfs/dbraw/zinc/58/22/65/551582265.db2.gz FZHRVONCCCPLMK-NSHDSACASA-N 0 3 393.336 2.981 20 70 GFIDHN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCC1CCN(CCO)CC1 ZINC000160703927 551584240 /nfs/dbraw/zinc/58/42/40/551584240.db2.gz FSGNYHZYIWUWNS-LBPRGKRZSA-N 0 3 375.296 2.581 20 70 GFIDHN O=C(Nc1ccc(Br)cn1)C1CCN(CCOCC2CC2)CC1 ZINC000159381114 551564758 /nfs/dbraw/zinc/56/47/58/551564758.db2.gz WMTYJICQXRKAGR-UHFFFAOYSA-N 0 3 382.302 2.921 20 70 GFIDHN COCCN(C)CCNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000159848519 551572074 /nfs/dbraw/zinc/57/20/74/551572074.db2.gz UCZVZEDQZLXVMD-UHFFFAOYSA-N 0 3 383.208 2.776 20 70 GFIDHN CN1CCC(NC(=O)Nc2ccnn2Cc2cccc(Br)c2)CC1 ZINC000160217295 551577187 /nfs/dbraw/zinc/57/71/87/551577187.db2.gz KCUBIJYCYUWAHB-UHFFFAOYSA-N 0 3 392.301 2.910 20 70 GFIDHN C[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)c1cnn(C)c1 ZINC000161035995 551589102 /nfs/dbraw/zinc/58/91/02/551589102.db2.gz JKKOCBZFHMMLCY-CYBMUJFWSA-N 0 3 379.302 2.882 20 70 GFIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(Cl)cc1Br ZINC000160183974 551576895 /nfs/dbraw/zinc/57/68/95/551576895.db2.gz DXDCILVCSKAWSD-GFCCVEGCSA-N 0 3 375.694 2.679 20 70 GFIDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159765050 551570275 /nfs/dbraw/zinc/57/02/75/551570275.db2.gz CNPFAVMOEAKUEB-CYBMUJFWSA-N 0 3 392.297 2.895 20 70 GFIDHN CC(=O)Nc1ccccc1CNCCNC(=O)c1cccc(Br)c1 ZINC000160452655 551580748 /nfs/dbraw/zinc/58/07/48/551580748.db2.gz VVYBWWLNBQJNQF-UHFFFAOYSA-N 0 3 390.281 2.927 20 70 GFIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(Br)ccc1Cl ZINC000160500192 551581522 /nfs/dbraw/zinc/58/15/22/551581522.db2.gz VMIKDHMEHSYIRZ-GFCCVEGCSA-N 0 3 375.694 2.679 20 70 GFIDHN CC(C)(C(=O)NCC1CCN(CCO)CC1)c1ccc(Br)cc1 ZINC000160594210 551582731 /nfs/dbraw/zinc/58/27/31/551582731.db2.gz VWVMROBSWSZKJV-UHFFFAOYSA-N 0 3 383.330 2.547 20 70 GFIDHN O=C(Cc1csc(-c2cccc(Br)c2)n1)N1CCCNCC1 ZINC000160869364 551586414 /nfs/dbraw/zinc/58/64/14/551586414.db2.gz YPMMRCUSKFCXDG-UHFFFAOYSA-N 0 3 380.311 2.937 20 70 GFIDHN CS(=O)(=O)c1csc(C(=O)N2CCC[C@@H](NCc3ccccc3)C2)c1 ZINC000159613276 551568082 /nfs/dbraw/zinc/56/80/82/551568082.db2.gz FIWIXMIZIVAOID-OAHLLOKOSA-N 0 3 378.519 2.546 20 70 GFIDHN CCN1CCCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000159849964 551572101 /nfs/dbraw/zinc/57/21/01/551572101.db2.gz OCJWKRKEZNSTTD-HNNXBMFYSA-N 0 3 395.345 2.765 20 70 GFIDHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000160298165 551578871 /nfs/dbraw/zinc/57/88/71/551578871.db2.gz ASZMNKOAWNSSEC-YESZJQIVSA-N 0 3 381.314 2.516 20 70 GFIDHN O=C(NCC1CCN(CCO)CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000160648835 551583559 /nfs/dbraw/zinc/58/35/59/551583559.db2.gz UONZOMMKOOXVSJ-UHFFFAOYSA-N 0 3 379.913 2.898 20 70 GFIDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000161466723 551595105 /nfs/dbraw/zinc/59/51/05/551595105.db2.gz APKHIGZEDSJCKP-GFCCVEGCSA-N 0 3 395.352 2.707 20 70 GFIDHN COCCCN(C)CCNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000160004878 551574269 /nfs/dbraw/zinc/57/42/69/551574269.db2.gz KIWUTMJEIKIXAU-UHFFFAOYSA-N 0 3 382.302 2.557 20 70 GFIDHN C[C@@H](CNC(=O)C1(N)Cc2ccccc2C1)Oc1ccccc1Br ZINC000161140125 551590809 /nfs/dbraw/zinc/59/08/09/551590809.db2.gz PDYQVROKFJPDBT-ZDUSSCGKSA-N 0 3 389.293 2.829 20 70 GFIDHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000159362481 551563895 /nfs/dbraw/zinc/56/38/95/551563895.db2.gz LTHNZMCHNBILJN-CVEARBPZSA-N 0 3 396.373 2.942 20 70 GFIDHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Br)cc1Cl ZINC000160124200 551575989 /nfs/dbraw/zinc/57/59/89/551575989.db2.gz AGHJLTHVWKHJOM-LBPRGKRZSA-N 0 3 375.694 2.679 20 70 GFIDHN CN(C)CCn1cc(NC(=O)CSc2cccc(Br)c2)cn1 ZINC000160297396 551578857 /nfs/dbraw/zinc/57/88/57/551578857.db2.gz CMIFVTJFQMAOKL-UHFFFAOYSA-N 0 3 383.315 2.938 20 70 GFIDHN C[C@H](Cn1cc(Br)cn1)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160719802 551584497 /nfs/dbraw/zinc/58/44/97/551584497.db2.gz SUADNROWTSUEMR-PBHICJAKSA-N 0 3 391.313 2.987 20 70 GFIDHN Cc1cc(S(=O)(=O)N(C)CC2CCN(C[C@H](C)O)CC2)c(Cl)cc1F ZINC000161430965 551594562 /nfs/dbraw/zinc/59/45/62/551594562.db2.gz ISMXNKIGEFVLFJ-ZDUSSCGKSA-N 0 3 392.924 2.501 20 70 GFIDHN CCCCOCCN(C(=O)C[C@@H]1CNCCO1)c1cccc(Br)c1 ZINC000159370597 551563886 /nfs/dbraw/zinc/56/38/86/551563886.db2.gz PVCAWTBWQCJHMP-QGZVFWFLSA-N 0 3 399.329 2.977 20 70 GFIDHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000159362344 551564001 /nfs/dbraw/zinc/56/40/01/551564001.db2.gz LTHNZMCHNBILJN-HOTGVXAUSA-N 0 3 396.373 2.942 20 70 GFIDHN CCN1CCC(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000160338804 551579362 /nfs/dbraw/zinc/57/93/62/551579362.db2.gz QHVPJZIETBBVFB-UHFFFAOYSA-N 0 3 377.286 2.849 20 70 GFIDHN C[C@H](Cc1ccccc1Br)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000161373466 551593888 /nfs/dbraw/zinc/59/38/88/551593888.db2.gz WIKNWBWAKVLTJQ-CYBMUJFWSA-N 0 3 394.317 2.960 20 70 GFIDHN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCN(c2ccncc2)CC1 ZINC000161377437 551594081 /nfs/dbraw/zinc/59/40/81/551594081.db2.gz MXRNDKHARLHYJO-CQSZACIVSA-N 0 3 389.297 2.993 20 70 GFIDHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000159362647 551563934 /nfs/dbraw/zinc/56/39/34/551563934.db2.gz LTHNZMCHNBILJN-JKSUJKDBSA-N 0 3 396.373 2.942 20 70 GFIDHN CC(C)C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)N(C)C ZINC000160042280 551574861 /nfs/dbraw/zinc/57/48/61/551574861.db2.gz BRRMZRRYLGSGEW-CYBMUJFWSA-N 0 3 394.313 2.997 20 70 GFIDHN CSCC[C@H](N)C(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000160127702 551575649 /nfs/dbraw/zinc/57/56/49/551575649.db2.gz QUJGYCSTSKTISB-HNNXBMFYSA-N 0 3 387.908 2.737 20 70 GFIDHN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CCO)CC1 ZINC000160718322 551584493 /nfs/dbraw/zinc/58/44/93/551584493.db2.gz VPFBRRXNFOIDOX-LBPRGKRZSA-N 0 3 375.296 2.581 20 70 GFIDHN Cc1ccc(NC(=O)CN2CCN(c3ccncc3)CC2)c(Br)c1 ZINC000161397442 551594091 /nfs/dbraw/zinc/59/40/91/551594091.db2.gz MLDKFQGXOHCCSV-UHFFFAOYSA-N 0 3 389.297 2.913 20 70 GFIDHN CCN1CCC[C@H]1CNC(=O)c1c(F)cccc1I ZINC000159573048 551566735 /nfs/dbraw/zinc/56/67/35/551566735.db2.gz ZPTYPCRUMITWGY-JTQLQIEISA-N 0 3 376.213 2.644 20 70 GFIDHN CC1CCN(C[C@H](O)CNC(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000159746855 551570418 /nfs/dbraw/zinc/57/04/18/551570418.db2.gz VXXNDRTXIQHXGV-CYBMUJFWSA-N 0 3 389.721 2.925 20 70 GFIDHN C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCC(C)(C)S(C)(=O)=O ZINC000159843013 551572134 /nfs/dbraw/zinc/57/21/34/551572134.db2.gz WNWTYNQGYLXJQT-NSHDSACASA-N 0 3 380.432 2.835 20 70 GFIDHN CS(=O)(=O)CCN1CCC(N[C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000159913533 551573107 /nfs/dbraw/zinc/57/31/07/551573107.db2.gz JOMFYXDHCCUHNL-KRWDZBQOSA-N 0 3 386.945 2.652 20 70 GFIDHN CC[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1)N(C)C ZINC000160426384 551580692 /nfs/dbraw/zinc/58/06/92/551580692.db2.gz KYKIONCHWFLUQH-MRXNPFEDSA-N 0 3 396.329 2.966 20 70 GFIDHN CC[C@H](C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)N(C)C ZINC000160842095 551585884 /nfs/dbraw/zinc/58/58/84/551585884.db2.gz RHECUCIZLBCJTG-QGZVFWFLSA-N 0 3 382.346 2.870 20 70 GFIDHN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccncc2)CC1 ZINC000161314048 551592896 /nfs/dbraw/zinc/59/28/96/551592896.db2.gz QOEIXWBQNIQRCR-AWEZNQCLSA-N 0 3 389.297 2.993 20 70 GFIDHN