smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000008701746 179150168 /nfs/dbraw/zinc/15/01/68/179150168.db2.gz XFWFBWOGDJBKAU-UHFFFAOYSA-N 0 0 240.350 3.673 20 10 BHCDRN Nc1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000019394941 342947496 /nfs/dbraw/zinc/94/74/96/342947496.db2.gz MPYJTLOINSLRDE-UHFFFAOYSA-N 0 0 246.354 3.568 20 10 BHCDRN Cc1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000019877116 179156460 /nfs/dbraw/zinc/15/64/60/179156460.db2.gz LBZPTZRDJKWIJE-GFCCVEGCSA-N 0 0 227.307 3.874 20 10 BHCDRN Cc1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000019877117 179152762 /nfs/dbraw/zinc/15/27/62/179152762.db2.gz LBZPTZRDJKWIJE-LBPRGKRZSA-N 0 0 227.307 3.874 20 10 BHCDRN CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019882598 384548630 /nfs/dbraw/zinc/54/86/30/384548630.db2.gz SRVKIODGZNZASY-SSDOTTSWSA-N 0 0 248.153 3.587 20 10 BHCDRN CC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019882599 171342866 /nfs/dbraw/zinc/34/28/66/171342866.db2.gz SRVKIODGZNZASY-ZETCQYMHSA-N 0 0 248.153 3.587 20 10 BHCDRN COc1ccccc1N[C@@H](C)c1ccccc1O ZINC000019901867 175338858 /nfs/dbraw/zinc/33/88/58/175338858.db2.gz YRHYQXVPNMCFMZ-NSHDSACASA-N 0 0 243.306 3.574 20 10 BHCDRN COc1ccccc1N[C@H](C)c1ccccc1O ZINC000019901868 175338814 /nfs/dbraw/zinc/33/88/14/175338814.db2.gz YRHYQXVPNMCFMZ-LLVKDONJSA-N 0 0 243.306 3.574 20 10 BHCDRN CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019907081 384555983 /nfs/dbraw/zinc/55/59/83/384555983.db2.gz FHKCWLKJJJDRJO-UHFFFAOYSA-N 0 0 248.153 3.589 20 10 BHCDRN C[C@@H](Nc1ccc(F)c(F)c1)c1ccccc1O ZINC000019918177 590044866 /nfs/dbraw/zinc/04/48/66/590044866.db2.gz WKVQKVAUYDNCTD-SECBINFHSA-N 0 0 249.260 3.844 20 10 BHCDRN C[C@H](Nc1ccc(F)c(F)c1)c1ccccc1O ZINC000019918179 176933663 /nfs/dbraw/zinc/93/36/63/176933663.db2.gz WKVQKVAUYDNCTD-VIFPVBQESA-N 0 0 249.260 3.844 20 10 BHCDRN CN(C)c1ccc(CNc2cccc(F)c2)cc1 ZINC000019920531 172554338 /nfs/dbraw/zinc/55/43/38/172554338.db2.gz RWHKSOZAXCNJDH-UHFFFAOYSA-N 0 0 244.313 3.504 20 10 BHCDRN C[C@@H](Nc1cccc(F)c1)c1ccccc1O ZINC000019920689 590047535 /nfs/dbraw/zinc/04/75/35/590047535.db2.gz ABDMGIKSLGJVAC-SNVBAGLBSA-N 0 0 231.270 3.704 20 10 BHCDRN C[C@H](Nc1cccc(F)c1)c1ccccc1O ZINC000019920691 590047636 /nfs/dbraw/zinc/04/76/36/590047636.db2.gz ABDMGIKSLGJVAC-JTQLQIEISA-N 0 0 231.270 3.704 20 10 BHCDRN C[C@@H](Nc1ccc(F)cc1)c1ccccc1O ZINC000019942118 590051841 /nfs/dbraw/zinc/05/18/41/590051841.db2.gz NLSQRQQYDKDYBU-SNVBAGLBSA-N 0 0 231.270 3.704 20 10 BHCDRN C[C@H](Nc1ccc(F)cc1)c1ccccc1O ZINC000019942121 176932992 /nfs/dbraw/zinc/93/29/92/176932992.db2.gz NLSQRQQYDKDYBU-JTQLQIEISA-N 0 0 231.270 3.704 20 10 BHCDRN CN(C)c1ccc(CNc2ccccc2F)cc1 ZINC000019944132 172553858 /nfs/dbraw/zinc/55/38/58/172553858.db2.gz QVDYPPFFMSCGQY-UHFFFAOYSA-N 0 0 244.313 3.504 20 10 BHCDRN COc1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000019964052 175279934 /nfs/dbraw/zinc/27/99/34/175279934.db2.gz VUUQIBXIVQMUQE-NSHDSACASA-N 0 0 243.306 3.574 20 10 BHCDRN COc1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000019964053 175280349 /nfs/dbraw/zinc/28/03/49/175280349.db2.gz VUUQIBXIVQMUQE-LLVKDONJSA-N 0 0 243.306 3.574 20 10 BHCDRN Cc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000019964422 590060092 /nfs/dbraw/zinc/06/00/92/590060092.db2.gz RPNISKJJCJDXFR-GFCCVEGCSA-N 0 0 227.307 3.874 20 10 BHCDRN Cc1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000019964423 590059728 /nfs/dbraw/zinc/05/97/28/590059728.db2.gz RPNISKJJCJDXFR-LBPRGKRZSA-N 0 0 227.307 3.874 20 10 BHCDRN COc1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000019964753 175154067 /nfs/dbraw/zinc/15/40/67/175154067.db2.gz PXKCGGOVNOSKRJ-NSHDSACASA-N 0 0 243.306 3.574 20 10 BHCDRN COc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000019964754 175154935 /nfs/dbraw/zinc/15/49/35/175154935.db2.gz PXKCGGOVNOSKRJ-LLVKDONJSA-N 0 0 243.306 3.574 20 10 BHCDRN Cc1cc(Cl)ccc1NCc1ccccc1O ZINC000020095171 590073544 /nfs/dbraw/zinc/07/35/44/590073544.db2.gz ZNHPIHUFHFPDAS-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN CCCc1ccc(NCc2ccccc2O)cc1 ZINC000020136676 590077729 /nfs/dbraw/zinc/07/77/29/590077729.db2.gz VGYNNTRCSINMLM-UHFFFAOYSA-N 0 0 241.334 3.957 20 10 BHCDRN Cc1ccc(NCc2ccccc2O)c(Cl)c1 ZINC000020471298 590115699 /nfs/dbraw/zinc/11/56/99/590115699.db2.gz MVDXOALMZIFRKU-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN CC(C)(C)c1csc(Cc2ccc(N)cc2)n1 ZINC000031947704 641698767 /nfs/dbraw/zinc/69/87/67/641698767.db2.gz SQWCISLIOYYLCD-UHFFFAOYSA-N 0 0 246.379 3.614 20 10 BHCDRN CSc1ccccc1NCc1ccccc1O ZINC000036957260 712516404 /nfs/dbraw/zinc/51/64/04/712516404.db2.gz ILVYGWOOXAIMKJ-UHFFFAOYSA-N 0 0 245.347 3.726 20 10 BHCDRN CCCc1ccccc1NCc1ccccc1O ZINC000036974353 712524742 /nfs/dbraw/zinc/52/47/42/712524742.db2.gz AAHRTOZHQWUCSM-UHFFFAOYSA-N 0 0 241.334 3.957 20 10 BHCDRN Nc1ccc(NCCC2CCCCC2)cc1 ZINC000037742120 712753656 /nfs/dbraw/zinc/75/36/56/712753656.db2.gz JOOOOBGKVGQGEG-UHFFFAOYSA-N 0 0 218.344 3.651 20 10 BHCDRN Cc1cc(C)cc(CN(C)c2ccc(N)cc2)c1 ZINC000038076864 712805297 /nfs/dbraw/zinc/80/52/97/712805297.db2.gz UOAAQODMYVHQRX-UHFFFAOYSA-N 0 0 240.350 3.522 20 10 BHCDRN C[C@H](Sc1nccs1)C(=O)c1ccccc1 ZINC000040677232 177029735 /nfs/dbraw/zinc/02/97/35/177029735.db2.gz NLKOSRHNZKIPSG-VIFPVBQESA-N 0 0 249.360 3.507 20 10 BHCDRN C[C@@H](Sc1nccs1)C(=O)c1ccccc1 ZINC000040677233 176010150 /nfs/dbraw/zinc/01/01/50/176010150.db2.gz NLKOSRHNZKIPSG-SECBINFHSA-N 0 0 249.360 3.507 20 10 BHCDRN C[C@@H]1CCCC[C@@H]1CNc1ccc(N)cc1 ZINC000042859951 637389049 /nfs/dbraw/zinc/38/90/49/637389049.db2.gz SIKQBWMYPWNNQR-VXGBXAGGSA-N 0 0 218.344 3.507 20 10 BHCDRN C[C@H]1CCCC[C@@H]1CNc1ccc(N)cc1 ZINC000042859952 637389202 /nfs/dbraw/zinc/38/92/02/637389202.db2.gz SIKQBWMYPWNNQR-NWDGAFQWSA-N 0 0 218.344 3.507 20 10 BHCDRN C[C@@H]1CCCC[C@H]1CNc1ccc(N)cc1 ZINC000042859954 637388916 /nfs/dbraw/zinc/38/89/16/637388916.db2.gz SIKQBWMYPWNNQR-NEPJUHHUSA-N 0 0 218.344 3.507 20 10 BHCDRN C[C@H]1CCCC[C@H]1CNc1ccc(N)cc1 ZINC000042859956 637390158 /nfs/dbraw/zinc/39/01/58/637390158.db2.gz SIKQBWMYPWNNQR-RYUDHWBXSA-N 0 0 218.344 3.507 20 10 BHCDRN CC(C)CSc1ncc(-c2ccccc2)n1C ZINC000044322493 641597152 /nfs/dbraw/zinc/59/71/52/641597152.db2.gz PSMYTOPBFOHGNT-UHFFFAOYSA-N 0 0 246.379 3.835 20 10 BHCDRN CCCCc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000048640441 641695535 /nfs/dbraw/zinc/69/55/35/641695535.db2.gz GHTDGMSBQMKSCS-UHFFFAOYSA-N 0 0 249.335 3.564 20 10 BHCDRN Cc1ccc(C)c(CN(C)c2ccc(N)cc2)c1 ZINC000049256952 188298821 /nfs/dbraw/zinc/29/88/21/188298821.db2.gz ZHEXMKYBBLIFRN-UHFFFAOYSA-N 0 0 240.350 3.522 20 10 BHCDRN Cc1ccc(CN(C)c2ccc(N)cc2)cc1C ZINC000049668828 178558064 /nfs/dbraw/zinc/55/80/64/178558064.db2.gz YEVGWTZOUNMZLP-UHFFFAOYSA-N 0 0 240.350 3.522 20 10 BHCDRN C[C@H](Nc1ccc(N)cc1)C1CCCCC1 ZINC000052334564 643646486 /nfs/dbraw/zinc/64/64/86/643646486.db2.gz SOJGVOAGLDONJB-NSHDSACASA-N 0 0 218.344 3.650 20 10 BHCDRN C[C@@H](Nc1ccc(N)cc1)C1CCCCC1 ZINC000052334567 632128295 /nfs/dbraw/zinc/12/82/95/632128295.db2.gz SOJGVOAGLDONJB-LLVKDONJSA-N 0 0 218.344 3.650 20 10 BHCDRN CNc1cc2oc3ccccc3c2cc1OC ZINC000058798449 711830717 /nfs/dbraw/zinc/83/07/17/711830717.db2.gz FUOJMGUTYFQABV-UHFFFAOYSA-N 0 0 227.263 3.636 20 10 BHCDRN Cc1ccc(Sc2nccs2)cc1 ZINC000060250464 640851780 /nfs/dbraw/zinc/85/17/80/640851780.db2.gz RRBYIXOWAKAATA-UHFFFAOYSA-N 0 0 207.323 3.603 20 10 BHCDRN C[C@@H](CCNc1ccc(N)cc1)c1ccccc1 ZINC000061910184 641005164 /nfs/dbraw/zinc/00/51/64/641005164.db2.gz SGXAOACGIXAWLO-ZDUSSCGKSA-N 0 0 240.350 3.875 20 10 BHCDRN C[C@H](CCNc1ccc(N)cc1)c1ccccc1 ZINC000061910185 641004764 /nfs/dbraw/zinc/00/47/64/641004764.db2.gz SGXAOACGIXAWLO-CYBMUJFWSA-N 0 0 240.350 3.875 20 10 BHCDRN C[C@H]([NH2+]C1CCCCC1)c1ccc(F)cc1[O-] ZINC000062744690 641085510 /nfs/dbraw/zinc/08/55/10/641085510.db2.gz XXIIIJMTSFGMAX-JTQLQIEISA-N 0 0 237.318 3.515 20 10 BHCDRN C[C@@H]([NH2+]C1CCCCC1)c1ccc(F)cc1[O-] ZINC000062744691 641084424 /nfs/dbraw/zinc/08/44/24/641084424.db2.gz XXIIIJMTSFGMAX-SNVBAGLBSA-N 0 0 237.318 3.515 20 10 BHCDRN C[C@H](Nc1cccc(F)c1)c1ccc(F)cc1O ZINC000062744866 641086391 /nfs/dbraw/zinc/08/63/91/641086391.db2.gz AWTTYRDPILQVHD-VIFPVBQESA-N 0 0 249.260 3.844 20 10 BHCDRN C[C@@H](Nc1cccc(F)c1)c1ccc(F)cc1O ZINC000062744867 641087580 /nfs/dbraw/zinc/08/75/80/641087580.db2.gz AWTTYRDPILQVHD-SECBINFHSA-N 0 0 249.260 3.844 20 10 BHCDRN C[C@H](Nc1ccc(F)cc1)c1ccc(F)cc1O ZINC000062744880 641087857 /nfs/dbraw/zinc/08/78/57/641087857.db2.gz DUADGMQDWIUPEJ-VIFPVBQESA-N 0 0 249.260 3.844 20 10 BHCDRN C[C@@H](Nc1ccc(F)cc1)c1ccc(F)cc1O ZINC000062744881 641086860 /nfs/dbraw/zinc/08/68/60/641086860.db2.gz DUADGMQDWIUPEJ-SECBINFHSA-N 0 0 249.260 3.844 20 10 BHCDRN CCCCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062745112 641086242 /nfs/dbraw/zinc/08/62/42/641086242.db2.gz NBPBLEAITFSPGP-NSHDSACASA-N 0 0 239.334 3.762 20 10 BHCDRN CCCCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062745113 641087469 /nfs/dbraw/zinc/08/74/69/641087469.db2.gz NBPBLEAITFSPGP-LLVKDONJSA-N 0 0 239.334 3.762 20 10 BHCDRN CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062745782 188303524 /nfs/dbraw/zinc/30/35/24/188303524.db2.gz OTSXRZLIRKSPFF-MNOVXSKESA-N 0 0 239.334 3.617 20 10 BHCDRN CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062745783 641085358 /nfs/dbraw/zinc/08/53/58/641085358.db2.gz OTSXRZLIRKSPFF-QWRGUYRKSA-N 0 0 239.334 3.617 20 10 BHCDRN CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062745784 188302859 /nfs/dbraw/zinc/30/28/59/188302859.db2.gz OTSXRZLIRKSPFF-GHMZBOCLSA-N 0 0 239.334 3.617 20 10 BHCDRN CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062745785 641084497 /nfs/dbraw/zinc/08/44/97/641084497.db2.gz OTSXRZLIRKSPFF-WDEREUQCSA-N 0 0 239.334 3.617 20 10 BHCDRN CC(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062747906 641200670 /nfs/dbraw/zinc/20/06/70/641200670.db2.gz IFWGKNVMTLNMKH-NSHDSACASA-N 0 0 239.334 3.618 20 10 BHCDRN CC(C)CCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062747907 641090648 /nfs/dbraw/zinc/09/06/48/641090648.db2.gz IFWGKNVMTLNMKH-LLVKDONJSA-N 0 0 239.334 3.618 20 10 BHCDRN CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748165 641091083 /nfs/dbraw/zinc/09/10/83/641091083.db2.gz ASRMAMHLNZURTG-AXFHLTTASA-N 0 0 239.334 3.617 20 10 BHCDRN CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748167 641091783 /nfs/dbraw/zinc/09/17/83/641091783.db2.gz ASRMAMHLNZURTG-DCAQKATOSA-N 0 0 239.334 3.617 20 10 BHCDRN C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(F)cc1[O-] ZINC000062748383 641092060 /nfs/dbraw/zinc/09/20/60/641092060.db2.gz OHGTXNGRUOWMFA-RYUDHWBXSA-N 0 0 249.329 3.538 20 10 BHCDRN C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(F)cc1[O-] ZINC000062748384 641092197 /nfs/dbraw/zinc/09/21/97/641092197.db2.gz OHGTXNGRUOWMFA-NEPJUHHUSA-N 0 0 249.329 3.538 20 10 BHCDRN C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(F)cc1[O-] ZINC000062748385 641091097 /nfs/dbraw/zinc/09/10/97/641091097.db2.gz OHGTXNGRUOWMFA-NWDGAFQWSA-N 0 0 249.329 3.538 20 10 BHCDRN C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(F)cc1[O-] ZINC000062748386 641090511 /nfs/dbraw/zinc/09/05/11/641090511.db2.gz OHGTXNGRUOWMFA-VXGBXAGGSA-N 0 0 249.329 3.538 20 10 BHCDRN CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748415 169379526 /nfs/dbraw/zinc/37/95/26/169379526.db2.gz JXUQTJPXEIZUMA-CMPLNLGQSA-N 0 0 239.334 3.761 20 10 BHCDRN CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748416 641092241 /nfs/dbraw/zinc/09/22/41/641092241.db2.gz JXUQTJPXEIZUMA-JQWIXIFHSA-N 0 0 239.334 3.761 20 10 BHCDRN CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748417 169380393 /nfs/dbraw/zinc/38/03/93/169380393.db2.gz JXUQTJPXEIZUMA-ZYHUDNBSSA-N 0 0 239.334 3.761 20 10 BHCDRN CCC[C@H](CC)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748418 641091732 /nfs/dbraw/zinc/09/17/32/641091732.db2.gz JXUQTJPXEIZUMA-PWSUYJOCSA-N 0 0 239.334 3.761 20 10 BHCDRN CC[C@@H]([NH2+]Cc1ccsc1)c1ccccc1O ZINC000063152109 343750370 /nfs/dbraw/zinc/75/03/70/343750370.db2.gz IUFZQXUQORJUFT-CYBMUJFWSA-N 0 0 247.363 3.695 20 10 BHCDRN Fc1cccc(CSc2nccs2)c1 ZINC000064660421 642688852 /nfs/dbraw/zinc/68/88/52/642688852.db2.gz JYZQSCQRKIFPDJ-UHFFFAOYSA-N 0 0 225.313 3.575 20 10 BHCDRN Fc1ccc(CSc2nccs2)cc1 ZINC000064660828 642689590 /nfs/dbraw/zinc/68/95/90/642689590.db2.gz MUMDYPNFBSGITL-UHFFFAOYSA-N 0 0 225.313 3.575 20 10 BHCDRN Cc1cccc(NCc2cc(C)ccc2O)c1 ZINC000071403525 179147790 /nfs/dbraw/zinc/14/77/90/179147790.db2.gz GIZFEJGJAOGVON-UHFFFAOYSA-N 0 0 227.307 3.621 20 10 BHCDRN Cc1ccc(NCc2cc(C)ccc2O)c(C)c1 ZINC000071403532 643140672 /nfs/dbraw/zinc/14/06/72/643140672.db2.gz HYMMPJCIGYILJA-UHFFFAOYSA-N 0 0 241.334 3.930 20 10 BHCDRN Cc1ccc(O)c(CNc2ccc(F)c(F)c2)c1 ZINC000071406090 188130743 /nfs/dbraw/zinc/13/07/43/188130743.db2.gz ANYUCUVVWPPWQB-UHFFFAOYSA-N 0 0 249.260 3.591 20 10 BHCDRN Cc1ccc(O)c(CNc2ccc(C)c(C)c2)c1 ZINC000071406110 643139927 /nfs/dbraw/zinc/13/99/27/643139927.db2.gz QGUGRBJHLGOEBK-UHFFFAOYSA-N 0 0 241.334 3.930 20 10 BHCDRN Cc1ccc(O)c(CNc2cccc(Cl)c2)c1 ZINC000071406114 187959840 /nfs/dbraw/zinc/95/98/40/187959840.db2.gz OLUXFVISFKXRLY-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN Cc1ccc(O)c(CNc2ccc(Cl)cc2)c1 ZINC000071406119 643140106 /nfs/dbraw/zinc/14/01/06/643140106.db2.gz OQUCMTHWLVUCNU-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN Cc1ccc(O)c(CNc2ccccc2Cl)c1 ZINC000071406136 188130881 /nfs/dbraw/zinc/13/08/81/188130881.db2.gz KJZSCBKXGZOUEB-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN Cc1ccc(O)c(CNc2cc(C)cc(C)c2)c1 ZINC000071406154 711898303 /nfs/dbraw/zinc/89/83/03/711898303.db2.gz BGOCCWCANAMHNK-UHFFFAOYSA-N 0 0 241.334 3.930 20 10 BHCDRN Cc1ccc(O)c(CNc2cc(F)ccc2C)c1 ZINC000071406157 711898371 /nfs/dbraw/zinc/89/83/71/711898371.db2.gz BETIFTBKJASAEC-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN CCc1ccc(NCc2cc(C)ccc2O)cc1 ZINC000071406165 711898370 /nfs/dbraw/zinc/89/83/70/711898370.db2.gz KECYVAKTUWQMHW-UHFFFAOYSA-N 0 0 241.334 3.875 20 10 BHCDRN Cc1ccc(O)c(CNc2ccc(C)c(F)c2)c1 ZINC000071406173 187275387 /nfs/dbraw/zinc/27/53/87/187275387.db2.gz LMZMTSPBTHVPGH-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN CCc1ccccc1NCc1cc(C)ccc1O ZINC000071406178 171888217 /nfs/dbraw/zinc/88/82/17/171888217.db2.gz RGFQOVNKYLKRHN-UHFFFAOYSA-N 0 0 241.334 3.875 20 10 BHCDRN Cc1ccc(O)c(CNc2ccc(F)cc2C)c1 ZINC000071406198 187275580 /nfs/dbraw/zinc/27/55/80/187275580.db2.gz JFLANOXQCMMXRX-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN CCc1cccc(NCc2cc(C)ccc2O)c1 ZINC000071406203 711898358 /nfs/dbraw/zinc/89/83/58/711898358.db2.gz QINQNMYKIAVANQ-UHFFFAOYSA-N 0 0 241.334 3.875 20 10 BHCDRN Cc1ccc(O)c(CNc2cccc(C)c2C)c1 ZINC000071406240 187959524 /nfs/dbraw/zinc/95/95/24/187959524.db2.gz KJRAMPNCGHZONG-UHFFFAOYSA-N 0 0 241.334 3.930 20 10 BHCDRN Cc1ccc(O)c(CNc2cc(C)ccc2C)c1 ZINC000071406248 711898359 /nfs/dbraw/zinc/89/83/59/711898359.db2.gz YZEHQIDKNOKEMP-UHFFFAOYSA-N 0 0 241.334 3.930 20 10 BHCDRN Cc1ccc(O)c(CNc2ccccc2C)c1 ZINC000071406260 711898356 /nfs/dbraw/zinc/89/83/56/711898356.db2.gz LOEHBQIGXWVGQG-UHFFFAOYSA-N 0 0 227.307 3.621 20 10 BHCDRN Cc1ccc(NCc2cc(C)ccc2O)c(F)c1 ZINC000071406877 178762640 /nfs/dbraw/zinc/76/26/40/178762640.db2.gz YKYXEVNNYLTRJY-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN Cc1ccc(O)c(CNc2cc(C)ccc2F)c1 ZINC000071406895 711898325 /nfs/dbraw/zinc/89/83/25/711898325.db2.gz VCKRLCCQLKEQQO-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN Cc1ccc(O)c(CNc2cccc(F)c2C)c1 ZINC000071408571 643143250 /nfs/dbraw/zinc/14/32/50/643143250.db2.gz FQVCAZLQSJXQHK-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN Cc1ccc(O)c(CNc2ccc(F)c(C)c2)c1 ZINC000071409276 643141747 /nfs/dbraw/zinc/14/17/47/643141747.db2.gz ZSPCJUAWKCSDEU-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN Cc1cc(Cl)ccc1Nc1ccc(N)cc1 ZINC000071536645 178068725 /nfs/dbraw/zinc/06/87/25/178068725.db2.gz TWUUMEKVKAQNSQ-UHFFFAOYSA-N 0 0 232.714 3.974 20 10 BHCDRN CCCCc1csc(Cc2ccc(N)cc2)n1 ZINC000077253930 631284045 /nfs/dbraw/zinc/28/40/45/631284045.db2.gz QTLPWJKWADCLHZ-UHFFFAOYSA-N 0 0 246.379 3.659 20 10 BHCDRN CC(C)Cc1csc(Cc2ccc(N)cc2)n1 ZINC000077253933 643838856 /nfs/dbraw/zinc/83/88/56/643838856.db2.gz BZBWEXPRYCYNOG-UHFFFAOYSA-N 0 0 246.379 3.515 20 10 BHCDRN Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C(C)C)c1 ZINC000081044968 643191396 /nfs/dbraw/zinc/19/13/96/643191396.db2.gz HSEQKAOYXOIFOD-STQMWFEESA-N 0 0 235.371 3.643 20 10 BHCDRN CC[C@@H]([NH2+]C[C@@H](C)C(C)C)c1ccccc1O ZINC000081047304 643190964 /nfs/dbraw/zinc/19/09/64/643190964.db2.gz NUHKFYYZOZBJNX-TZMCWYRMSA-N 0 0 235.371 3.725 20 10 BHCDRN CC[C@H]([NH2+]C[C@H](C)C(C)C)c1ccccc1O ZINC000081047308 643191705 /nfs/dbraw/zinc/19/17/05/643191705.db2.gz NUHKFYYZOZBJNX-JSGCOSHPSA-N 0 0 235.371 3.725 20 10 BHCDRN CC[C@@H]([NH2+]C[C@H](C)C(C)C)c1ccccc1O ZINC000081047310 643191127 /nfs/dbraw/zinc/19/11/27/643191127.db2.gz NUHKFYYZOZBJNX-GXTWGEPZSA-N 0 0 235.371 3.725 20 10 BHCDRN Cc1cccc(CNc2ccccc2C)c1O ZINC000083355479 179305664 /nfs/dbraw/zinc/30/56/64/179305664.db2.gz YVBDCBVPXVWVJR-UHFFFAOYSA-N 0 0 227.307 3.621 20 10 BHCDRN Cc1cccc(NCc2cccc(C)c2O)c1 ZINC000083355486 179150556 /nfs/dbraw/zinc/15/05/56/179150556.db2.gz LDBLWRMLMDMJIY-UHFFFAOYSA-N 0 0 227.307 3.621 20 10 BHCDRN Cc1ccc(NCc2cccc(C)c2O)cc1C ZINC000083369551 643439438 /nfs/dbraw/zinc/43/94/38/643439438.db2.gz XLUCXDTZAUYJJN-UHFFFAOYSA-N 0 0 241.334 3.930 20 10 BHCDRN Cc1cc(C)cc(NCc2cccc(C)c2O)c1 ZINC000083369558 631424200 /nfs/dbraw/zinc/42/42/00/631424200.db2.gz SUDITCTVIXEZRF-UHFFFAOYSA-N 0 0 241.334 3.930 20 10 BHCDRN CCc1ccc(NCc2cccc(C)c2O)cc1 ZINC000083369563 171820796 /nfs/dbraw/zinc/82/07/96/171820796.db2.gz QLOFRMZGAHBYJY-UHFFFAOYSA-N 0 0 241.334 3.875 20 10 BHCDRN Cc1ccc(C)c(NCc2cccc(C)c2O)c1 ZINC000083369566 178483788 /nfs/dbraw/zinc/48/37/88/178483788.db2.gz GJNPOQZAOZANEF-UHFFFAOYSA-N 0 0 241.334 3.930 20 10 BHCDRN Cc1cccc(NCc2cccc(C)c2O)c1C ZINC000083369569 179150865 /nfs/dbraw/zinc/15/08/65/179150865.db2.gz BSNGOOVOHCAGGZ-UHFFFAOYSA-N 0 0 241.334 3.930 20 10 BHCDRN Cc1ccc(NCc2cccc(C)c2O)c(C)c1 ZINC000083369572 643441139 /nfs/dbraw/zinc/44/11/39/643441139.db2.gz WCESPTXAGMUTKR-UHFFFAOYSA-N 0 0 241.334 3.930 20 10 BHCDRN CCc1ccccc1NCc1cccc(C)c1O ZINC000083369575 643440810 /nfs/dbraw/zinc/44/08/10/643440810.db2.gz GTTZYVARWFWNMY-UHFFFAOYSA-N 0 0 241.334 3.875 20 10 BHCDRN CCc1cccc(NCc2cccc(C)c2O)c1 ZINC000083369637 171863539 /nfs/dbraw/zinc/86/35/39/171863539.db2.gz SSEPMRSHZIXULY-UHFFFAOYSA-N 0 0 241.334 3.875 20 10 BHCDRN Cc1ccc(NCc2cc(F)ccc2O)cc1C ZINC000083373987 631423755 /nfs/dbraw/zinc/42/37/55/631423755.db2.gz GYTXEPATJUQOJJ-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN Cc1cccc(NCc2cc(F)ccc2O)c1C ZINC000083374013 179148517 /nfs/dbraw/zinc/14/85/17/179148517.db2.gz DFVIAPJHFAGBKB-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN Cc1ccc(F)c(NCc2cccc(C)c2O)c1 ZINC000083374059 178676206 /nfs/dbraw/zinc/67/62/06/178676206.db2.gz NTHUHEUEBIZPHU-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN Cc1cccc(CNc2ccc(F)cc2C)c1O ZINC000083374065 178089537 /nfs/dbraw/zinc/08/95/37/178089537.db2.gz ZYLNSUBQUZCZEQ-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN Cc1cccc(CNc2cccc(Cl)c2)c1O ZINC000083377845 188270404 /nfs/dbraw/zinc/27/04/04/188270404.db2.gz QGKFAEJSJQVHTR-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN Cc1cccc(CNc2ccc(Cl)cc2)c1O ZINC000083377848 188142329 /nfs/dbraw/zinc/14/23/29/188142329.db2.gz YVBIXYXDSNRLHT-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN Cc1cccc(CNc2ccccc2Cl)c1O ZINC000083377851 188098284 /nfs/dbraw/zinc/09/82/84/188098284.db2.gz BMKSBFQQULMVOR-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN Cc1ccc(Cl)c(NCc2ccccc2O)c1 ZINC000083377873 636873016 /nfs/dbraw/zinc/87/30/16/636873016.db2.gz OBRCAEWJFJFNOT-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN Cc1ccc(F)c(NCc2cc(F)ccc2O)c1 ZINC000083380249 643444257 /nfs/dbraw/zinc/44/42/57/643444257.db2.gz DSBGRORHGDDRDV-UHFFFAOYSA-N 0 0 249.260 3.591 20 10 BHCDRN Cc1cc(F)ccc1NCc1cc(F)ccc1O ZINC000083380257 178089909 /nfs/dbraw/zinc/08/99/09/178089909.db2.gz VULOCGQJMNAETH-UHFFFAOYSA-N 0 0 249.260 3.591 20 10 BHCDRN Cc1ccc(NCc2cc(F)ccc2O)c(F)c1 ZINC000083380265 643444406 /nfs/dbraw/zinc/44/44/06/643444406.db2.gz ZMARIAPGFXQMQL-UHFFFAOYSA-N 0 0 249.260 3.591 20 10 BHCDRN Cc1ccc(NCc2cc(F)ccc2O)cc1F ZINC000083380275 643444138 /nfs/dbraw/zinc/44/41/38/643444138.db2.gz GPTDPBWRDBITRC-UHFFFAOYSA-N 0 0 249.260 3.591 20 10 BHCDRN Cc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000083552062 711916462 /nfs/dbraw/zinc/91/64/62/711916462.db2.gz ZAPQBIGKLYULIE-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)c(O)c1 ZINC000083898283 644412388 /nfs/dbraw/zinc/41/23/88/644412388.db2.gz NPCGKSNVZGLKRL-CHWSQXEVSA-N 0 0 235.371 3.643 20 10 BHCDRN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C(C)C)c(O)c1 ZINC000083898286 644410916 /nfs/dbraw/zinc/41/09/16/644410916.db2.gz NPCGKSNVZGLKRL-OLZOCXBDSA-N 0 0 235.371 3.643 20 10 BHCDRN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C(C)C)c(O)c1 ZINC000083898287 644411914 /nfs/dbraw/zinc/41/19/14/644411914.db2.gz NPCGKSNVZGLKRL-QWHCGFSZSA-N 0 0 235.371 3.643 20 10 BHCDRN Cc1ccc([C@H](C)[NH2+]C[C@H](C)C(C)C)c(O)c1 ZINC000083898289 644412433 /nfs/dbraw/zinc/41/24/33/644412433.db2.gz NPCGKSNVZGLKRL-STQMWFEESA-N 0 0 235.371 3.643 20 10 BHCDRN Fc1ccc(CSc2nccs2)c(F)c1 ZINC000084840788 644433509 /nfs/dbraw/zinc/43/35/09/644433509.db2.gz XEAVUWVGOVTREP-UHFFFAOYSA-N 0 0 243.303 3.714 20 10 BHCDRN Nc1ccc(NC(=O)C2CCCCCCC2)cc1 ZINC000086577595 644469224 /nfs/dbraw/zinc/46/92/24/644469224.db2.gz PFTRQHYKYBKZKN-UHFFFAOYSA-N 0 0 246.354 3.568 20 10 BHCDRN Clc1ncc(CSc2nccs2)s1 ZINC000086777698 644178903 /nfs/dbraw/zinc/17/89/03/644178903.db2.gz OHLLPXDQYYPZIC-UHFFFAOYSA-N 0 0 248.785 3.545 20 10 BHCDRN CC[C@H]([NH2+][C@H]1CC=CCC1)c1ccccc1O ZINC000088746628 383920828 /nfs/dbraw/zinc/92/08/28/383920828.db2.gz LTRURPQUHYBBGR-JSGCOSHPSA-N 0 0 231.339 3.542 20 10 BHCDRN CC[C@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1O ZINC000088746630 383920507 /nfs/dbraw/zinc/92/05/07/383920507.db2.gz LTRURPQUHYBBGR-OCCSQVGLSA-N 0 0 231.339 3.542 20 10 BHCDRN CC[C@@H](C)c1csc(Cc2ccc(N)cc2)n1 ZINC000088870914 636903155 /nfs/dbraw/zinc/90/31/55/636903155.db2.gz MADZZWFHCHOAQS-SNVBAGLBSA-N 0 0 246.379 3.830 20 10 BHCDRN CC[C@H](C)c1csc(Cc2ccc(N)cc2)n1 ZINC000088870915 636902231 /nfs/dbraw/zinc/90/22/31/636902231.db2.gz MADZZWFHCHOAQS-JTQLQIEISA-N 0 0 246.379 3.830 20 10 BHCDRN Oc1cccc(Cl)c1CNc1ccccc1 ZINC000090714636 644602024 /nfs/dbraw/zinc/60/20/24/644602024.db2.gz GMOAOIJYOTXMTK-UHFFFAOYSA-N 0 0 233.698 3.658 20 10 BHCDRN Cc1ccc(O)c(CNc2cc(C)cc(F)c2)c1 ZINC000091510858 644627959 /nfs/dbraw/zinc/62/79/59/644627959.db2.gz NMILOPQJOIIELT-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN Cc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000093232497 634475656 /nfs/dbraw/zinc/47/56/56/634475656.db2.gz OKEXWEWZTBOXGX-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN C[C@H](Nc1cccc(F)c1)c1cc(F)ccc1O ZINC000094616697 644721541 /nfs/dbraw/zinc/72/15/41/644721541.db2.gz BBNJBIIWBITLBS-VIFPVBQESA-N 0 0 249.260 3.844 20 10 BHCDRN C[C@@H](Nc1cccc(F)c1)c1cc(F)ccc1O ZINC000094616698 644720077 /nfs/dbraw/zinc/72/00/77/644720077.db2.gz BBNJBIIWBITLBS-SECBINFHSA-N 0 0 249.260 3.844 20 10 BHCDRN C[C@H](Nc1ccc(F)cc1)c1cc(F)ccc1O ZINC000094616711 635376904 /nfs/dbraw/zinc/37/69/04/635376904.db2.gz RHBLUJSECJQHIJ-VIFPVBQESA-N 0 0 249.260 3.844 20 10 BHCDRN C[C@@H](Nc1ccc(F)cc1)c1cc(F)ccc1O ZINC000094616712 635376438 /nfs/dbraw/zinc/37/64/38/635376438.db2.gz RHBLUJSECJQHIJ-SECBINFHSA-N 0 0 249.260 3.844 20 10 BHCDRN C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000097987281 642652359 /nfs/dbraw/zinc/65/23/59/642652359.db2.gz VQCQYOOHLFJSNS-GFCCVEGCSA-N 0 0 241.334 3.530 20 10 BHCDRN C[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000097987282 642652130 /nfs/dbraw/zinc/65/21/30/642652130.db2.gz VQCQYOOHLFJSNS-LBPRGKRZSA-N 0 0 241.334 3.530 20 10 BHCDRN CN(C)c1ccc(-c2nc(C3CC3)cs2)cc1 ZINC000109346521 588547423 /nfs/dbraw/zinc/54/74/23/588547423.db2.gz BFIDKSAKQHGLBE-UHFFFAOYSA-N 0 0 244.363 3.754 20 10 BHCDRN CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000109797475 588593487 /nfs/dbraw/zinc/59/34/87/588593487.db2.gz OUAFXQVJVGIUFK-UHFFFAOYSA-N 0 0 233.355 3.547 20 10 BHCDRN CCC[N@H+](Cc1ccccc1O)[C@H]1C=CCCC1 ZINC000111192096 588727943 /nfs/dbraw/zinc/72/79/43/588727943.db2.gz QEMWWVOJCLSINQ-HNNXBMFYSA-N 0 0 245.366 3.713 20 10 BHCDRN CCC[N@H+](Cc1ccccc1O)[C@@H]1C=CCCC1 ZINC000111192098 588728013 /nfs/dbraw/zinc/72/80/13/588728013.db2.gz QEMWWVOJCLSINQ-OAHLLOKOSA-N 0 0 245.366 3.713 20 10 BHCDRN FC(F)=C(F)CCSc1nccs1 ZINC000116022282 582825155 /nfs/dbraw/zinc/82/51/55/582825155.db2.gz ZPTRFECGKAVAAK-UHFFFAOYSA-N 0 0 225.260 3.703 20 10 BHCDRN FC(F)(F)CCCCSc1nccs1 ZINC000119191326 384244492 /nfs/dbraw/zinc/24/44/92/384244492.db2.gz MSPPEEBTEZHOFB-UHFFFAOYSA-N 0 0 241.303 3.968 20 10 BHCDRN c1csc(CCSc2nccs2)c1 ZINC000121202726 583846327 /nfs/dbraw/zinc/84/63/27/583846327.db2.gz QNCARDKZXORYCL-UHFFFAOYSA-N 0 0 227.379 3.539 20 10 BHCDRN CC(C)(C)c1cnc(SCCCF)s1 ZINC000121831975 589534409 /nfs/dbraw/zinc/53/44/09/589534409.db2.gz QEXMCKGZZAIPAY-UHFFFAOYSA-N 0 0 233.377 3.892 20 10 BHCDRN Cc1cccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1O ZINC000124540121 590048715 /nfs/dbraw/zinc/04/87/15/590048715.db2.gz HVRANGNRHCIGIP-LBPRGKRZSA-N 0 0 235.371 3.567 20 10 BHCDRN Cc1cccc(C[N@@H+](C)[C@H](C)C(C)(C)C)c1O ZINC000124540362 590048691 /nfs/dbraw/zinc/04/86/91/590048691.db2.gz HVRANGNRHCIGIP-GFCCVEGCSA-N 0 0 235.371 3.567 20 10 BHCDRN Cc1ccccc1NCc1cccc(Cl)c1O ZINC000124613051 590067617 /nfs/dbraw/zinc/06/76/17/590067617.db2.gz PASRBOOEIMJCQG-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN Cc1cccc(NCc2cccc(Cl)c2O)c1 ZINC000124615487 590067082 /nfs/dbraw/zinc/06/70/82/590067082.db2.gz AONYVVROQYKRNI-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN Cc1cc(NCc2cccc(C)c2O)ccc1F ZINC000124625559 590067337 /nfs/dbraw/zinc/06/73/37/590067337.db2.gz LHTZGHRBWRWWFH-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN Cc1cccc(CNc2cc(F)ccc2C)c1O ZINC000124630758 590068019 /nfs/dbraw/zinc/06/80/19/590068019.db2.gz OHUXVHCEUUAKOV-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN Cc1cc(F)cc(NCc2cccc(C)c2O)c1 ZINC000124633260 590067888 /nfs/dbraw/zinc/06/78/88/590067888.db2.gz ZNKOPHGEXPZFSW-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN Cc1cccc(CNc2cccc(F)c2C)c1O ZINC000124634389 590068303 /nfs/dbraw/zinc/06/83/03/590068303.db2.gz XZUJSKSRNRDHQW-UHFFFAOYSA-N 0 0 245.297 3.760 20 10 BHCDRN O=C(CCSc1nccs1)c1ccccc1 ZINC000127365553 590633228 /nfs/dbraw/zinc/63/32/28/590633228.db2.gz LGHNGCJCTHBHNF-UHFFFAOYSA-N 0 0 249.360 3.508 20 10 BHCDRN CCN(Cc1ccccc1O)c1ccccc1C ZINC000131645311 591635312 /nfs/dbraw/zinc/63/53/12/591635312.db2.gz GCQNSJGQPWHHOL-UHFFFAOYSA-N 0 0 241.334 3.727 20 10 BHCDRN CCN(Cc1cc(C)ccc1O)c1ccccc1 ZINC000131749721 591651389 /nfs/dbraw/zinc/65/13/89/591651389.db2.gz XIUMHJBSGBGXSN-UHFFFAOYSA-N 0 0 241.334 3.727 20 10 BHCDRN CN(Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000131889692 591675562 /nfs/dbraw/zinc/67/55/62/591675562.db2.gz QZRAHTAEEYWWQF-UHFFFAOYSA-N 0 0 247.725 3.682 20 10 BHCDRN CN(Cc1c(O)cccc1Cl)c1ccccc1 ZINC000131896457 591675744 /nfs/dbraw/zinc/67/57/44/591675744.db2.gz YBKBSNABFRIXMC-UHFFFAOYSA-N 0 0 247.725 3.682 20 10 BHCDRN Cc1ccc(O)c(C[N@@H+](C)C2CCCCCC2)c1 ZINC000132352254 591702881 /nfs/dbraw/zinc/70/28/81/591702881.db2.gz RGLFFFZQXPCDTH-UHFFFAOYSA-N 0 0 247.382 3.855 20 10 BHCDRN C[N@H+](Cc1ccccc1O)C1CCCCCC1 ZINC000132353798 591703030 /nfs/dbraw/zinc/70/30/30/591703030.db2.gz GJOAHOVTXIHZDU-UHFFFAOYSA-N 0 0 233.355 3.547 20 10 BHCDRN CC[NH+](CC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132450647 591710368 /nfs/dbraw/zinc/71/03/68/591710368.db2.gz LAGOLYUCONSUQY-UHFFFAOYSA-N 0 0 248.153 3.541 20 10 BHCDRN CC(C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132480162 591712761 /nfs/dbraw/zinc/71/27/61/591712761.db2.gz WIRBDSNVUFSLFF-UHFFFAOYSA-N 0 0 248.153 3.539 20 10 BHCDRN CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132573901 591721067 /nfs/dbraw/zinc/72/10/67/591721067.db2.gz HXHJYULAWWMXSP-UHFFFAOYSA-N 0 0 248.153 3.541 20 10 BHCDRN CCC(C)(C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000132633589 591725697 /nfs/dbraw/zinc/72/56/97/591725697.db2.gz MFVOUVOVIQCGBD-UHFFFAOYSA-N 0 0 241.762 3.632 20 10 BHCDRN Cc1cccc(N(C)Cc2cc(C)ccc2O)c1 ZINC000132848745 591743138 /nfs/dbraw/zinc/74/31/38/591743138.db2.gz LZZDKHNFFNFOKD-UHFFFAOYSA-N 0 0 241.334 3.645 20 10 BHCDRN Cc1ccc(N(C)Cc2ccccc2O)c(C)c1 ZINC000133149588 591769202 /nfs/dbraw/zinc/76/92/02/591769202.db2.gz BXKKSLVWERNXFB-UHFFFAOYSA-N 0 0 241.334 3.645 20 10 BHCDRN C[C@H](Sc1nccs1)c1ccccc1 ZINC000133219479 711637132 /nfs/dbraw/zinc/63/71/32/711637132.db2.gz AORRMHZZHGTSSJ-VIFPVBQESA-N 0 0 221.350 3.996 20 10 BHCDRN C[C@@H](Sc1nccs1)c1ccccc1 ZINC000133219636 711981060 /nfs/dbraw/zinc/98/10/60/711981060.db2.gz AORRMHZZHGTSSJ-SECBINFHSA-N 0 0 221.350 3.996 20 10 BHCDRN Fc1ccc(CSc2nccs2)cc1F ZINC000133224811 710968932 /nfs/dbraw/zinc/96/89/32/710968932.db2.gz YRODLVYLSLICLP-UHFFFAOYSA-N 0 0 243.303 3.714 20 10 BHCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)(C)C ZINC000133896823 591867894 /nfs/dbraw/zinc/86/78/94/591867894.db2.gz RSGCVTYTTDBUME-SECBINFHSA-N 0 0 241.762 3.570 20 10 BHCDRN Cc1cscc1N[C@@H](C)c1ccccc1O ZINC000134822983 591953207 /nfs/dbraw/zinc/95/32/07/591953207.db2.gz SNGIWUWHRVJLEZ-JTQLQIEISA-N 0 0 233.336 3.935 20 10 BHCDRN Cc1cscc1N[C@H](C)c1ccccc1O ZINC000134823001 591953434 /nfs/dbraw/zinc/95/34/34/591953434.db2.gz SNGIWUWHRVJLEZ-SNVBAGLBSA-N 0 0 233.336 3.935 20 10 BHCDRN CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134900503 591957488 /nfs/dbraw/zinc/95/74/88/591957488.db2.gz HXVCHWPCDZTJHW-ZETCQYMHSA-N 0 0 248.153 3.760 20 10 BHCDRN CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134900526 591957632 /nfs/dbraw/zinc/95/76/32/591957632.db2.gz HXVCHWPCDZTJHW-SSDOTTSWSA-N 0 0 248.153 3.760 20 10 BHCDRN C[C@H]([NH2+]C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000134901633 388480467 /nfs/dbraw/zinc/48/04/67/388480467.db2.gz CBFXCGJWGYBGGB-LURJTMIESA-N 0 0 246.137 3.512 20 10 BHCDRN C[C@@H]([NH2+]C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000134901656 388480302 /nfs/dbraw/zinc/48/03/02/388480302.db2.gz CBFXCGJWGYBGGB-ZCFIWIBFSA-N 0 0 246.137 3.512 20 10 BHCDRN Cc1ccc([C@@H](C)Nc2ccc(C)nc2)c(O)c1 ZINC000154240892 385310967 /nfs/dbraw/zinc/31/09/67/385310967.db2.gz DWLLSUMFEVBZLZ-GFCCVEGCSA-N 0 0 242.322 3.577 20 10 BHCDRN Cc1ccc([C@H](C)Nc2ccc(C)nc2)c(O)c1 ZINC000154240975 385309811 /nfs/dbraw/zinc/30/98/11/385309811.db2.gz DWLLSUMFEVBZLZ-LBPRGKRZSA-N 0 0 242.322 3.577 20 10 BHCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(C)nc2)c1 ZINC000154245529 385309746 /nfs/dbraw/zinc/30/97/46/385309746.db2.gz AGCAPTAIRIFTCX-GFCCVEGCSA-N 0 0 242.322 3.577 20 10 BHCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(C)nc2)c1 ZINC000154245630 385310602 /nfs/dbraw/zinc/31/06/02/385310602.db2.gz AGCAPTAIRIFTCX-LBPRGKRZSA-N 0 0 242.322 3.577 20 10 BHCDRN CC[C@H](Nc1ccc(C)nc1)c1ccccc1O ZINC000154260761 385312341 /nfs/dbraw/zinc/31/23/41/385312341.db2.gz NZHNIRGVAKHUAV-AWEZNQCLSA-N 0 0 242.322 3.659 20 10 BHCDRN CC[C@@H](Nc1ccc(C)nc1)c1ccccc1O ZINC000154260840 346321009 /nfs/dbraw/zinc/32/10/09/346321009.db2.gz NZHNIRGVAKHUAV-CQSZACIVSA-N 0 0 242.322 3.659 20 10 BHCDRN Cc1ccccc1NCc1c(O)cccc1Cl ZINC000155321334 632857339 /nfs/dbraw/zinc/85/73/39/632857339.db2.gz MZGBHRYEKAVGHS-UHFFFAOYSA-N 0 0 247.725 3.966 20 10 BHCDRN Nc1ccc(NC(=O)CC2CCCCCC2)cc1 ZINC000156669489 385463746 /nfs/dbraw/zinc/46/37/46/385463746.db2.gz QWUSFFNKGSLEPG-UHFFFAOYSA-N 0 0 246.354 3.568 20 10 BHCDRN CC[C@H](Nc1cc(C)ccn1)c1ccccc1O ZINC000157088377 385486523 /nfs/dbraw/zinc/48/65/23/385486523.db2.gz GZEBSNSMPMTIOJ-ZDUSSCGKSA-N 0 0 242.322 3.659 20 10 BHCDRN CC[C@@H](Nc1cc(C)ccn1)c1ccccc1O ZINC000157088523 170915269 /nfs/dbraw/zinc/91/52/69/170915269.db2.gz GZEBSNSMPMTIOJ-CYBMUJFWSA-N 0 0 242.322 3.659 20 10 BHCDRN CCN(Cc1cccc(C)c1O)c1ccccc1 ZINC000160196606 711805958 /nfs/dbraw/zinc/80/59/58/711805958.db2.gz PYTQJAMKBBARHC-UHFFFAOYSA-N 0 0 241.334 3.727 20 10 BHCDRN CN(Cc1cccc(Cl)c1O)c1ccccc1 ZINC000160198103 711806079 /nfs/dbraw/zinc/80/60/79/711806079.db2.gz JONCRBVFDIBRPM-UHFFFAOYSA-N 0 0 247.725 3.682 20 10 BHCDRN Cc1cccc(N(C)Cc2cccc(C)c2O)c1 ZINC000160210734 711806062 /nfs/dbraw/zinc/80/60/62/711806062.db2.gz WIXWSSXPMXKKMY-UHFFFAOYSA-N 0 0 241.334 3.645 20 10 BHCDRN Cc1ccc(N(C)Cc2cccc(C)c2O)cc1 ZINC000160212899 711806096 /nfs/dbraw/zinc/80/60/96/711806096.db2.gz AZKBQLJKTKSBDD-UHFFFAOYSA-N 0 0 241.334 3.645 20 10 BHCDRN CCCC[C@@H](CC)CC(=O)Nc1ccc(N)cc1 ZINC000160374907 643559875 /nfs/dbraw/zinc/55/98/75/643559875.db2.gz AUUYTLDKXPSIIW-GFCCVEGCSA-N 0 0 248.370 3.814 20 10 BHCDRN CCCC[C@H](CC)CC(=O)Nc1ccc(N)cc1 ZINC000160375027 636310953 /nfs/dbraw/zinc/31/09/53/636310953.db2.gz AUUYTLDKXPSIIW-LBPRGKRZSA-N 0 0 248.370 3.814 20 10 BHCDRN CCCCCC[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000160459493 384416054 /nfs/dbraw/zinc/41/60/54/384416054.db2.gz DJVNNRQHAXOJEF-GFCCVEGCSA-N 0 0 248.370 3.814 20 10 BHCDRN CCCCCC[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000160459641 384415794 /nfs/dbraw/zinc/41/57/94/384415794.db2.gz DJVNNRQHAXOJEF-LBPRGKRZSA-N 0 0 248.370 3.814 20 10 BHCDRN CC(C)(C)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162516323 633031745 /nfs/dbraw/zinc/03/17/45/633031745.db2.gz NLUDWYSHNITGJO-UHFFFAOYSA-N 0 0 241.762 3.571 20 10 BHCDRN CCCC(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162610777 634227899 /nfs/dbraw/zinc/22/78/99/634227899.db2.gz FZASUKNHEXNNMS-UHFFFAOYSA-N 0 0 241.762 3.714 20 10 BHCDRN CCC[NH+](CCC)Cc1cccc(Cl)c1[O-] ZINC000162805392 711680302 /nfs/dbraw/zinc/68/03/02/711680302.db2.gz SOXRRODTNGOPHD-UHFFFAOYSA-N 0 0 241.762 3.668 20 10 BHCDRN CCCC[N@H+](CC)Cc1cccc(Cl)c1[O-] ZINC000162807051 634479227 /nfs/dbraw/zinc/47/92/27/634479227.db2.gz FDKTWUGYRHESJD-UHFFFAOYSA-N 0 0 241.762 3.668 20 10 BHCDRN CC(C)CC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162810256 711680495 /nfs/dbraw/zinc/68/04/95/711680495.db2.gz BMGPCFNXRYTSJU-UHFFFAOYSA-N 0 0 241.762 3.524 20 10 BHCDRN CC(C)[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162810915 634500483 /nfs/dbraw/zinc/50/04/83/634500483.db2.gz MQDBMXZJPJZHHS-SNVBAGLBSA-N 0 0 241.762 3.522 20 10 BHCDRN CC(C)[C@H](C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162811041 711680605 /nfs/dbraw/zinc/68/06/05/711680605.db2.gz MQDBMXZJPJZHHS-JTQLQIEISA-N 0 0 241.762 3.522 20 10 BHCDRN CC[N@@H+](Cc1cccc(Cl)c1[O-])CC(C)C ZINC000162811321 634553022 /nfs/dbraw/zinc/55/30/22/634553022.db2.gz RIJPIPIAYJOQMG-UHFFFAOYSA-N 0 0 241.762 3.524 20 10 BHCDRN CCC[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162812635 711680376 /nfs/dbraw/zinc/68/03/76/711680376.db2.gz IUELXUICJPIURC-SNVBAGLBSA-N 0 0 241.762 3.666 20 10 BHCDRN CCC[C@H](C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162812719 634561423 /nfs/dbraw/zinc/56/14/23/634561423.db2.gz IUELXUICJPIURC-JTQLQIEISA-N 0 0 241.762 3.666 20 10 BHCDRN C[N@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)C ZINC000162815651 634567064 /nfs/dbraw/zinc/56/70/64/634567064.db2.gz LRAGYUREHDHFPE-UHFFFAOYSA-N 0 0 241.762 3.524 20 10 BHCDRN CCC(C)(C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162818845 633039723 /nfs/dbraw/zinc/03/97/23/633039723.db2.gz PDTLIEAAMKNRJW-UHFFFAOYSA-N 0 0 241.762 3.666 20 10 BHCDRN Oc1c(Cl)cccc1CNc1ccccc1 ZINC000162821076 634581324 /nfs/dbraw/zinc/58/13/24/634581324.db2.gz XJJHVWFSLPIPIP-UHFFFAOYSA-N 0 0 233.698 3.658 20 10 BHCDRN CCCCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162822711 635133363 /nfs/dbraw/zinc/13/33/63/635133363.db2.gz XIUFJQABRCQBFJ-UHFFFAOYSA-N 0 0 241.762 3.716 20 10 BHCDRN CC(C)CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162827213 633039201 /nfs/dbraw/zinc/03/92/01/633039201.db2.gz AANALLDCJOSDPZ-UHFFFAOYSA-N 0 0 241.762 3.571 20 10 BHCDRN CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162830810 635138291 /nfs/dbraw/zinc/13/82/91/635138291.db2.gz MDQLSTJIGMDOKM-NXEZZACHSA-N 0 0 241.762 3.570 20 10 BHCDRN CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162830921 633039388 /nfs/dbraw/zinc/03/93/88/633039388.db2.gz MDQLSTJIGMDOKM-VHSXEESVSA-N 0 0 241.762 3.570 20 10 BHCDRN CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162831048 633039883 /nfs/dbraw/zinc/03/98/83/633039883.db2.gz MDQLSTJIGMDOKM-ZJUUUORDSA-N 0 0 241.762 3.570 20 10 BHCDRN CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162831167 635138511 /nfs/dbraw/zinc/13/85/11/635138511.db2.gz MDQLSTJIGMDOKM-UWVGGRQHSA-N 0 0 241.762 3.570 20 10 BHCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)C ZINC000162831796 635142011 /nfs/dbraw/zinc/14/20/11/635142011.db2.gz KWJMRIKZDZEMIN-LBPRGKRZSA-N 0 0 241.762 3.570 20 10 BHCDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C(C)C ZINC000162831900 635141823 /nfs/dbraw/zinc/14/18/23/635141823.db2.gz KWJMRIKZDZEMIN-GFCCVEGCSA-N 0 0 241.762 3.570 20 10 BHCDRN CCC[C@@H](CC)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162861899 635143875 /nfs/dbraw/zinc/14/38/75/635143875.db2.gz BIWXOIXCGDOPRC-LLVKDONJSA-N 0 0 241.762 3.714 20 10 BHCDRN CCC[C@H](CC)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162862020 633039819 /nfs/dbraw/zinc/03/98/19/633039819.db2.gz BIWXOIXCGDOPRC-NSHDSACASA-N 0 0 241.762 3.714 20 10 BHCDRN CC(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162871868 635144574 /nfs/dbraw/zinc/14/45/74/635144574.db2.gz ORWOMLCYSLKTIH-SNVBAGLBSA-N 0 0 241.762 3.570 20 10 BHCDRN CC(C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162871980 635143422 /nfs/dbraw/zinc/14/34/22/635143422.db2.gz ORWOMLCYSLKTIH-JTQLQIEISA-N 0 0 241.762 3.570 20 10 BHCDRN COCCCSc1ncc(C(C)(C)C)s1 ZINC000164020496 640434384 /nfs/dbraw/zinc/43/43/84/640434384.db2.gz UGODBXVPUVFUNO-UHFFFAOYSA-N 0 0 245.413 3.569 20 10 BHCDRN COC[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000164036420 174556022 /nfs/dbraw/zinc/55/60/22/174556022.db2.gz ZSONWFRGTUVYJU-QMMMGPOBSA-N 0 0 245.413 3.568 20 10 BHCDRN COC[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000164036536 384897224 /nfs/dbraw/zinc/89/72/24/384897224.db2.gz ZSONWFRGTUVYJU-MRVPVSSYSA-N 0 0 245.413 3.568 20 10 BHCDRN CCOCCSc1ncc(C(C)(C)C)s1 ZINC000164039457 640435447 /nfs/dbraw/zinc/43/54/47/640435447.db2.gz LCSVITFCSXYSNW-UHFFFAOYSA-N 0 0 245.413 3.569 20 10 BHCDRN CCC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000164042001 640439912 /nfs/dbraw/zinc/43/99/12/640439912.db2.gz AQQNMQYIAKTILU-UHFFFAOYSA-N 0 0 243.397 3.512 20 10 BHCDRN CC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000164140734 187815078 /nfs/dbraw/zinc/81/50/78/187815078.db2.gz ZLZFEEYYNAQDGH-QMMMGPOBSA-N 0 0 243.397 3.510 20 10 BHCDRN CC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000164140840 384923064 /nfs/dbraw/zinc/92/30/64/384923064.db2.gz ZLZFEEYYNAQDGH-MRVPVSSYSA-N 0 0 243.397 3.510 20 10 BHCDRN CCSc1ncc(C(C)(C)C)s1 ZINC000164151060 640451174 /nfs/dbraw/zinc/45/11/74/640451174.db2.gz XLCFWNOWFOBSQG-UHFFFAOYSA-N 0 0 201.360 3.553 20 10 BHCDRN CC(=O)CCSc1ncc(C(C)(C)C)s1 ZINC000164371971 191120080 /nfs/dbraw/zinc/12/00/80/191120080.db2.gz YAUPKCQKXNIWHN-UHFFFAOYSA-N 0 0 243.397 3.512 20 10 BHCDRN CCC[N@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000165411236 640570723 /nfs/dbraw/zinc/57/07/23/640570723.db2.gz IKRAXYMYZRLGEV-UHFFFAOYSA-N 0 0 241.762 3.666 20 10 BHCDRN C[C@H]([NH2+]CCC(C)(C)C)c1ccc(F)cc1[O-] ZINC000168738820 633147670 /nfs/dbraw/zinc/14/76/70/633147670.db2.gz NSCBEJYEBLVSMV-JTQLQIEISA-N 0 0 239.334 3.618 20 10 BHCDRN C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(F)cc1[O-] ZINC000168738912 633147518 /nfs/dbraw/zinc/14/75/18/633147518.db2.gz NSCBEJYEBLVSMV-SNVBAGLBSA-N 0 0 239.334 3.618 20 10 BHCDRN CCC(CC)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168761231 640823999 /nfs/dbraw/zinc/82/39/99/640823999.db2.gz XMHJLUCCCYJJLB-JTQLQIEISA-N 0 0 239.334 3.618 20 10 BHCDRN CCC(CC)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168761312 640823569 /nfs/dbraw/zinc/82/35/69/640823569.db2.gz XMHJLUCCCYJJLB-SNVBAGLBSA-N 0 0 239.334 3.618 20 10 BHCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)(C)C ZINC000168767554 633146385 /nfs/dbraw/zinc/14/63/85/633146385.db2.gz ICZJAFAUVRMEJE-VHSXEESVSA-N 0 0 239.334 3.617 20 10 BHCDRN C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000168767651 633148005 /nfs/dbraw/zinc/14/80/05/633148005.db2.gz ICZJAFAUVRMEJE-NXEZZACHSA-N 0 0 239.334 3.617 20 10 BHCDRN Cc1nc(CSc2nccs2)sc1C ZINC000173330924 384672642 /nfs/dbraw/zinc/67/26/42/384672642.db2.gz LTZNGEIAIVKFAO-UHFFFAOYSA-N 0 0 242.394 3.509 20 10 BHCDRN Cl/C=C(\Cl)CSc1nccs1 ZINC000174150872 712354910 /nfs/dbraw/zinc/35/49/10/712354910.db2.gz UNHCSJIXQBJDIH-HYXAFXHYSA-N 0 0 226.153 3.554 20 10 BHCDRN CO[C@@H](C)CSc1ncc(C(C)(C)C)s1 ZINC000181023319 385560075 /nfs/dbraw/zinc/56/00/75/385560075.db2.gz AAQADBVGFIYFNL-QMMMGPOBSA-N 0 0 245.413 3.568 20 10 BHCDRN CO[C@H](C)CSc1ncc(C(C)(C)C)s1 ZINC000181023337 385560036 /nfs/dbraw/zinc/56/00/36/385560036.db2.gz AAQADBVGFIYFNL-MRVPVSSYSA-N 0 0 245.413 3.568 20 10 BHCDRN Cc1cc(F)ccc1CSc1nccs1 ZINC000182005502 642943459 /nfs/dbraw/zinc/94/34/59/642943459.db2.gz ADWMPVJTSITMST-UHFFFAOYSA-N 0 0 239.340 3.883 20 10 BHCDRN Fc1cccc(F)c1CSc1nccs1 ZINC000182711298 633955761 /nfs/dbraw/zinc/95/57/61/633955761.db2.gz GMMWLJSMFZJRKE-UHFFFAOYSA-N 0 0 243.303 3.714 20 10 BHCDRN c1cc(N2CCCC2)ccc1OC1CCCC1 ZINC000183262872 643100965 /nfs/dbraw/zinc/10/09/65/643100965.db2.gz NHYNUSZXMCYQQZ-UHFFFAOYSA-N 0 0 231.339 3.608 20 10 BHCDRN Cc1ccnc(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000186242701 384828916 /nfs/dbraw/zinc/82/89/16/384828916.db2.gz HWILREAWAAZYDJ-GFCCVEGCSA-N 0 0 242.322 3.577 20 10 BHCDRN Cc1ccnc(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000186242714 384827770 /nfs/dbraw/zinc/82/77/70/384827770.db2.gz HWILREAWAAZYDJ-LBPRGKRZSA-N 0 0 242.322 3.577 20 10 BHCDRN Cc1ccc([C@@H](C)Nc2cc(C)ccn2)c(O)c1 ZINC000186242900 384829366 /nfs/dbraw/zinc/82/93/66/384829366.db2.gz BHNWHUMDBXEKFK-GFCCVEGCSA-N 0 0 242.322 3.577 20 10 BHCDRN Cc1ccc([C@H](C)Nc2cc(C)ccn2)c(O)c1 ZINC000186242916 384827435 /nfs/dbraw/zinc/82/74/35/384827435.db2.gz BHNWHUMDBXEKFK-LBPRGKRZSA-N 0 0 242.322 3.577 20 10 BHCDRN Fc1cc(F)cc(CSc2nccs2)c1 ZINC000188194453 634136467 /nfs/dbraw/zinc/13/64/67/634136467.db2.gz BHDYHAYFGHXHBY-UHFFFAOYSA-N 0 0 243.303 3.714 20 10 BHCDRN Cc1ccc(F)cc1CSc1nccs1 ZINC000188194488 634137030 /nfs/dbraw/zinc/13/70/30/634137030.db2.gz VYJSEGAXRBIRAZ-UHFFFAOYSA-N 0 0 239.340 3.883 20 10 BHCDRN C[C@H](Sc1nccs1)c1cccc(C#N)c1 ZINC000189838890 641820531 /nfs/dbraw/zinc/82/05/31/641820531.db2.gz YQGVFWXEKYTBCK-VIFPVBQESA-N 0 0 246.360 3.868 20 10 BHCDRN CCC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000189992331 641829559 /nfs/dbraw/zinc/82/95/59/641829559.db2.gz WVCIEHWAHBJBDD-JTQLQIEISA-N 0 0 239.334 3.618 20 10 BHCDRN CCC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000189992347 641828794 /nfs/dbraw/zinc/82/87/94/641828794.db2.gz WVCIEHWAHBJBDD-SNVBAGLBSA-N 0 0 239.334 3.618 20 10 BHCDRN CCC(C)(C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000189993618 641829633 /nfs/dbraw/zinc/82/96/33/641829633.db2.gz ODDVQFCYFQKMPK-UHFFFAOYSA-N 0 0 241.762 3.571 20 10 BHCDRN CCCCCCC(=O)CSc1nccs1 ZINC000190239810 188002206 /nfs/dbraw/zinc/00/22/06/188002206.db2.gz HFAVDNAWLNKSKV-UHFFFAOYSA-N 0 0 243.397 3.775 20 10 BHCDRN CCC(CC)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191180864 168391208 /nfs/dbraw/zinc/39/12/08/168391208.db2.gz CIFCFRNRRHVLRL-QMMMGPOBSA-N 0 0 243.297 3.510 20 10 BHCDRN CCC(CC)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191180878 168392863 /nfs/dbraw/zinc/39/28/63/168392863.db2.gz CIFCFRNRRHVLRL-MRVPVSSYSA-N 0 0 243.297 3.510 20 10 BHCDRN CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192588969 644166548 /nfs/dbraw/zinc/16/65/48/644166548.db2.gz YIAQGUOBKOXZRI-ZETCQYMHSA-N 0 0 248.153 3.760 20 10 BHCDRN CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192588987 644166526 /nfs/dbraw/zinc/16/65/26/644166526.db2.gz YIAQGUOBKOXZRI-SSDOTTSWSA-N 0 0 248.153 3.760 20 10 BHCDRN C[C@H]([NH2+]C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192589980 386972076 /nfs/dbraw/zinc/97/20/76/386972076.db2.gz BGFDCWLNUBXMBH-LURJTMIESA-N 0 0 246.137 3.512 20 10 BHCDRN C[C@@H]([NH2+]C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192589995 386970651 /nfs/dbraw/zinc/97/06/51/386970651.db2.gz BGFDCWLNUBXMBH-ZCFIWIBFSA-N 0 0 246.137 3.512 20 10 BHCDRN Fc1ccc(F)c(CSc2nccs2)c1 ZINC000194357990 644314428 /nfs/dbraw/zinc/31/44/28/644314428.db2.gz NGRMGSRUEJYCBV-UHFFFAOYSA-N 0 0 243.303 3.714 20 10 BHCDRN Clc1cnc(Sc2ccccc2)s1 ZINC000199564652 711714712 /nfs/dbraw/zinc/71/47/12/711714712.db2.gz YFSUHKCGYHWJTC-UHFFFAOYSA-N 0 0 227.741 3.948 20 10 BHCDRN CC[C@@H](C)C[N@H+](CC)Cc1cc(C)ccc1O ZINC000211640630 591227130 /nfs/dbraw/zinc/22/71/30/591227130.db2.gz ZCIQZPSTCCWOGO-GFCCVEGCSA-N 0 0 235.371 3.569 20 10 BHCDRN CC[C@H](C)C[N@H+](CC)Cc1cc(C)ccc1O ZINC000211640702 591227298 /nfs/dbraw/zinc/22/72/98/591227298.db2.gz ZCIQZPSTCCWOGO-LBPRGKRZSA-N 0 0 235.371 3.569 20 10 BHCDRN Cc1cccc(C)c1CN(C)c1ccc(N)cc1 ZINC000215429696 591947910 /nfs/dbraw/zinc/94/79/10/591947910.db2.gz PENONDLPNTWQBC-UHFFFAOYSA-N 0 0 240.350 3.522 20 10 BHCDRN C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)c1ccccc1O ZINC000220489379 592312968 /nfs/dbraw/zinc/31/29/68/592312968.db2.gz CTZGBRKMKJFFIS-JHJVBQTASA-N 0 0 247.382 3.868 20 10 BHCDRN C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccccc1O ZINC000226155016 635425615 /nfs/dbraw/zinc/42/56/15/635425615.db2.gz ZLYCOZVUAMALDN-COMQUAJESA-N 0 0 247.382 3.868 20 10 BHCDRN C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1ccccc1O ZINC000226155020 635424000 /nfs/dbraw/zinc/42/40/00/635424000.db2.gz ZLYCOZVUAMALDN-OSFYFWSMSA-N 0 0 247.382 3.868 20 10 BHCDRN Cc1cc(NCc2cc(F)ccc2O)ccc1F ZINC000226580885 640776507 /nfs/dbraw/zinc/77/65/07/640776507.db2.gz PSHHMNQGTXNOLN-UHFFFAOYSA-N 0 0 249.260 3.591 20 10 BHCDRN Cc1ccc(F)cc1NCc1cc(F)ccc1O ZINC000226581085 640776665 /nfs/dbraw/zinc/77/66/65/640776665.db2.gz RUSPOQJJFKYLGJ-UHFFFAOYSA-N 0 0 249.260 3.591 20 10 BHCDRN Cc1cc(F)cc(NCc2cc(F)ccc2O)c1 ZINC000226581216 640776468 /nfs/dbraw/zinc/77/64/68/640776468.db2.gz BUIVYKGBNFWINE-UHFFFAOYSA-N 0 0 249.260 3.591 20 10 BHCDRN Cc1c(F)cccc1NCc1cc(F)ccc1O ZINC000226581252 640775258 /nfs/dbraw/zinc/77/52/58/640775258.db2.gz ACNDTXDTJDZNRP-UHFFFAOYSA-N 0 0 249.260 3.591 20 10 BHCDRN CCN(Cc1cc(F)ccc1O)c1ccccc1 ZINC000230419189 641054298 /nfs/dbraw/zinc/05/42/98/641054298.db2.gz VNICBMHUJUNFPD-UHFFFAOYSA-N 0 0 245.297 3.558 20 10 BHCDRN C[C@@H]1CCC[C@@H](CNc2ccc(N)cc2)C1 ZINC000235338395 635573709 /nfs/dbraw/zinc/57/37/09/635573709.db2.gz SREWSRWPVGSSQP-VXGBXAGGSA-N 0 0 218.344 3.507 20 10 BHCDRN C[C@H]1CCC[C@H](CNc2ccc(N)cc2)C1 ZINC000235653361 632808152 /nfs/dbraw/zinc/80/81/52/632808152.db2.gz SREWSRWPVGSSQP-RYUDHWBXSA-N 0 0 218.344 3.507 20 10 BHCDRN CCCCC[C@@H](C)CC(=O)Nc1ccc(N)cc1 ZINC000236803679 711762017 /nfs/dbraw/zinc/76/20/17/711762017.db2.gz XHHDPRDQEJAULP-GFCCVEGCSA-N 0 0 248.370 3.814 20 10 BHCDRN CCCCCC(C)(C)C(=O)Nc1ccc(N)cc1 ZINC000236837789 168643480 /nfs/dbraw/zinc/64/34/80/168643480.db2.gz GWQAXAZJXSGUDV-UHFFFAOYSA-N 0 0 248.370 3.814 20 10 BHCDRN CCCCC[C@H](C)CC(=O)Nc1ccc(N)cc1 ZINC000236857750 635524114 /nfs/dbraw/zinc/52/41/14/635524114.db2.gz XHHDPRDQEJAULP-LBPRGKRZSA-N 0 0 248.370 3.814 20 10 BHCDRN Nc1ccc(NC(=O)CCCC2CCCC2)cc1 ZINC000238134100 635621284 /nfs/dbraw/zinc/62/12/84/635621284.db2.gz SALKKGJNPHGLKZ-UHFFFAOYSA-N 0 0 246.354 3.568 20 10 BHCDRN CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000246163068 644568645 /nfs/dbraw/zinc/56/86/45/644568645.db2.gz ASRMAMHLNZURTG-GARJFASQSA-N 0 0 239.334 3.617 20 10 BHCDRN CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000246163078 644568381 /nfs/dbraw/zinc/56/83/81/644568381.db2.gz ASRMAMHLNZURTG-HBNTYKKESA-N 0 0 239.334 3.617 20 10 BHCDRN NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255445710 631712120 /nfs/dbraw/zinc/71/21/20/631712120.db2.gz HNKDTNXSYFDPCF-UHFFFAOYSA-N 0 0 240.266 3.593 20 10 BHCDRN Cc1ccc(CN(C)c2ccc(N)cc2)c(C)c1 ZINC000260224492 635312079 /nfs/dbraw/zinc/31/20/79/635312079.db2.gz VJZRQOWIEWRAJI-UHFFFAOYSA-N 0 0 240.350 3.522 20 10 BHCDRN Cc1sc(Cc2ccc(N)cc2)nc1C1CC1 ZINC000261551878 635498964 /nfs/dbraw/zinc/49/89/64/635498964.db2.gz MMCASFNIFGOBQD-UHFFFAOYSA-N 0 0 244.363 3.502 20 10 BHCDRN Cc1nc(C)c(CSc2nccs2)s1 ZINC000266036289 179914786 /nfs/dbraw/zinc/91/47/86/179914786.db2.gz UNMFUZLQZGYCID-UHFFFAOYSA-N 0 0 242.394 3.509 20 10 BHCDRN C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccccc1O ZINC000278875651 386599242 /nfs/dbraw/zinc/59/92/42/386599242.db2.gz XLNNXAWKZSNWRX-GFCCVEGCSA-N 0 0 245.366 3.766 20 10 BHCDRN C[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccccc1O ZINC000278875653 386599989 /nfs/dbraw/zinc/59/99/89/386599989.db2.gz XLNNXAWKZSNWRX-LBPRGKRZSA-N 0 0 245.366 3.766 20 10 BHCDRN CC(C)(C)SCCSc1nccs1 ZINC000282745849 386409150 /nfs/dbraw/zinc/40/91/50/386409150.db2.gz ZRKPXIICTSUHDZ-UHFFFAOYSA-N 0 0 233.427 3.767 20 10 BHCDRN CC[C@@H]([NH2+]C1CCC1)c1cccc(Cl)c1[O-] ZINC000287830870 387515342 /nfs/dbraw/zinc/51/53/42/387515342.db2.gz VRIPVWPXVJFYIX-GFCCVEGCSA-N 0 0 239.746 3.639 20 10 BHCDRN CC[C@H]([NH2+]C1CCC1)c1cccc(Cl)c1[O-] ZINC000287830874 387514922 /nfs/dbraw/zinc/51/49/22/387514922.db2.gz VRIPVWPXVJFYIX-LBPRGKRZSA-N 0 0 239.746 3.639 20 10 BHCDRN CC(C)(C)CCOCSc1nccs1 ZINC000292554383 166573769 /nfs/dbraw/zinc/57/37/69/166573769.db2.gz CKZNORCMKUVQMO-UHFFFAOYSA-N 0 0 231.386 3.646 20 10 BHCDRN C[C@@H]([NH2+]CC1=CCCCC1)c1ccccc1O ZINC000296311934 388421673 /nfs/dbraw/zinc/42/16/73/388421673.db2.gz NNORLTXHJFGFJZ-GFCCVEGCSA-N 0 0 231.339 3.543 20 10 BHCDRN C[C@H]([NH2+]CC1=CCCCC1)c1ccccc1O ZINC000296311935 388421767 /nfs/dbraw/zinc/42/17/67/388421767.db2.gz NNORLTXHJFGFJZ-LBPRGKRZSA-N 0 0 231.339 3.543 20 10 BHCDRN Cc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000296659152 179157126 /nfs/dbraw/zinc/15/71/26/179157126.db2.gz FBXZXXAPCJGTAZ-AWEZNQCLSA-N 0 0 239.318 3.800 20 10 BHCDRN Cc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000296659155 179154764 /nfs/dbraw/zinc/15/47/64/179154764.db2.gz FBXZXXAPCJGTAZ-CQSZACIVSA-N 0 0 239.318 3.800 20 10 BHCDRN Cc1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000296880366 343985264 /nfs/dbraw/zinc/98/52/64/343985264.db2.gz OEINZJIURIIYCA-AWEZNQCLSA-N 0 0 239.318 3.800 20 10 BHCDRN Cc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000296880372 343985302 /nfs/dbraw/zinc/98/53/02/343985302.db2.gz OEINZJIURIIYCA-CQSZACIVSA-N 0 0 239.318 3.800 20 10 BHCDRN Cc1cscc1N[C@@H]1CCc2cccc(O)c21 ZINC000296933258 384249593 /nfs/dbraw/zinc/24/95/93/384249593.db2.gz QCRDVNMTXSSVDN-LLVKDONJSA-N 0 0 245.347 3.862 20 10 BHCDRN Cc1cscc1N[C@H]1CCc2cccc(O)c21 ZINC000296933262 384249243 /nfs/dbraw/zinc/24/92/43/384249243.db2.gz QCRDVNMTXSSVDN-NSHDSACASA-N 0 0 245.347 3.862 20 10 BHCDRN C[C@@H]1CCC[C@H](CNc2ccc(N)cc2)C1 ZINC000300363171 592508573 /nfs/dbraw/zinc/50/85/73/592508573.db2.gz SREWSRWPVGSSQP-NEPJUHHUSA-N 0 0 218.344 3.507 20 10 BHCDRN CN(CCCC(C)(C)C)c1ccc(N)cc1 ZINC000300823403 592521020 /nfs/dbraw/zinc/52/10/20/592521020.db2.gz HJUQWRHZNPNJTN-UHFFFAOYSA-N 0 0 220.360 3.531 20 10 BHCDRN CCCCC[N@H+](CCC)Cc1ccccc1O ZINC000303686419 644838859 /nfs/dbraw/zinc/83/88/59/644838859.db2.gz KOMHWEOEYGEYMM-UHFFFAOYSA-N 0 0 235.371 3.794 20 10 BHCDRN Cc1ccc(CCSc2nccs2)cc1 ZINC000303831337 644849636 /nfs/dbraw/zinc/84/96/36/644849636.db2.gz ZTZVRPWSLXIDCU-UHFFFAOYSA-N 0 0 235.377 3.786 20 10 BHCDRN CCc1ccc(NCc2ccccc2O)cc1C ZINC000305467227 642661701 /nfs/dbraw/zinc/66/17/01/642661701.db2.gz LDUHONWMOQUDNZ-UHFFFAOYSA-N 0 0 241.334 3.875 20 10 BHCDRN Cc1ccccc1Sc1nccs1 ZINC000306147879 642724091 /nfs/dbraw/zinc/72/40/91/642724091.db2.gz ACNMYVNKPLWXQL-UHFFFAOYSA-N 0 0 207.323 3.603 20 10 BHCDRN Clc1cnc(CSc2nccs2)s1 ZINC000306186362 635959575 /nfs/dbraw/zinc/95/95/75/635959575.db2.gz SBRCBJWHVXLJPC-UHFFFAOYSA-N 0 0 248.785 3.545 20 10 BHCDRN Cc1csc(Sc2ncc(Cl)s2)n1 ZINC000306364460 643318244 /nfs/dbraw/zinc/31/82/44/643318244.db2.gz AIWLOXLITYQCHQ-UHFFFAOYSA-N 0 0 248.785 3.713 20 10 BHCDRN Clc1cnc(SC2CCCC2)s1 ZINC000306445172 398197241 /nfs/dbraw/zinc/19/72/41/398197241.db2.gz SLFDCIBGCCIYOL-UHFFFAOYSA-N 0 0 219.762 3.831 20 10 BHCDRN c1csc(SCC2CCCCC2)n1 ZINC000306487292 360157643 /nfs/dbraw/zinc/15/76/43/360157643.db2.gz IVKZDWANHOWOOZ-UHFFFAOYSA-N 0 0 213.371 3.816 20 10 BHCDRN C[C@@H]1CCC[C@H](Sc2nccs2)C1 ZINC000306568607 643186103 /nfs/dbraw/zinc/18/61/03/643186103.db2.gz JKMKLDMRWJBOPV-BDAKNGLRSA-N 0 0 213.371 3.814 20 10 BHCDRN C[C@H]1CCC[C@@H](Sc2nccs2)C1 ZINC000306568608 643187131 /nfs/dbraw/zinc/18/71/31/643187131.db2.gz JKMKLDMRWJBOPV-DTWKUNHWSA-N 0 0 213.371 3.814 20 10 BHCDRN C[C@H]1CCC[C@H](Sc2nccs2)C1 ZINC000306568609 643186651 /nfs/dbraw/zinc/18/66/51/643186651.db2.gz JKMKLDMRWJBOPV-IUCAKERBSA-N 0 0 213.371 3.814 20 10 BHCDRN C[C@@H]1CCC[C@@H](Sc2nccs2)C1 ZINC000306568610 643186677 /nfs/dbraw/zinc/18/66/77/643186677.db2.gz JKMKLDMRWJBOPV-RKDXNWHRSA-N 0 0 213.371 3.814 20 10 BHCDRN Clc1cccc(Sc2nccs2)c1 ZINC000307106788 635982270 /nfs/dbraw/zinc/98/22/70/635982270.db2.gz YQTWUCZFWXJJGA-UHFFFAOYSA-N 0 0 227.741 3.948 20 10 BHCDRN Cc1cccc(Sc2nccs2)c1 ZINC000307191007 711773552 /nfs/dbraw/zinc/77/35/52/711773552.db2.gz KCGHUCRQUKRCFU-UHFFFAOYSA-N 0 0 207.323 3.603 20 10 BHCDRN CC(C)=CCSc1ncc(Cl)s1 ZINC000307259474 711774035 /nfs/dbraw/zinc/77/40/35/711774035.db2.gz GJBXTKJROODFGP-UHFFFAOYSA-N 0 0 219.762 3.855 20 10 BHCDRN CC(C)CSc1ncc(Cl)s1 ZINC000307526639 643497089 /nfs/dbraw/zinc/49/70/89/643497089.db2.gz RPNDKTHAHVUVFA-UHFFFAOYSA-N 0 0 207.751 3.545 20 10 BHCDRN CC(C)Sc1ncc(C(C)(C)C)s1 ZINC000307686282 643577486 /nfs/dbraw/zinc/57/74/86/643577486.db2.gz CTQUIFOSDUARTF-UHFFFAOYSA-N 0 0 215.387 3.941 20 10 BHCDRN CC(C)[C@H](C)Sc1ncc(Cl)s1 ZINC000307742546 635994692 /nfs/dbraw/zinc/99/46/92/635994692.db2.gz KRAMBXCWKLPNLU-LURJTMIESA-N 0 0 221.778 3.933 20 10 BHCDRN CC(C)[C@@H](C)Sc1ncc(Cl)s1 ZINC000307742547 635995225 /nfs/dbraw/zinc/99/52/25/635995225.db2.gz KRAMBXCWKLPNLU-ZCFIWIBFSA-N 0 0 221.778 3.933 20 10 BHCDRN CC[C@H](C)CSc1ncc(Cl)s1 ZINC000308044547 642389212 /nfs/dbraw/zinc/38/92/12/642389212.db2.gz OSVOLFSAUOMLEG-LURJTMIESA-N 0 0 221.778 3.935 20 10 BHCDRN CC[C@@H](C)CSc1ncc(Cl)s1 ZINC000308044548 642344014 /nfs/dbraw/zinc/34/40/14/642344014.db2.gz OSVOLFSAUOMLEG-ZCFIWIBFSA-N 0 0 221.778 3.935 20 10 BHCDRN FC(F)(F)CCSc1ncc(Cl)s1 ZINC000308424782 631328287 /nfs/dbraw/zinc/32/82/87/631328287.db2.gz VTWRSZCXBBDPDJ-UHFFFAOYSA-N 0 0 247.694 3.841 20 10 BHCDRN CC[C@@H](C)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000309422498 632048195 /nfs/dbraw/zinc/04/81/95/632048195.db2.gz DUOFLHQRHDSCEN-BXKDBHETSA-N 0 0 241.762 3.885 20 10 BHCDRN CC[C@H](C)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000309422500 711697380 /nfs/dbraw/zinc/69/73/80/711697380.db2.gz DUOFLHQRHDSCEN-CABZTGNLSA-N 0 0 241.762 3.885 20 10 BHCDRN CC[C@@H]([NH2+][C@@H](C)CC)c1cccc(Cl)c1[O-] ZINC000309422501 633049199 /nfs/dbraw/zinc/04/91/99/633049199.db2.gz DUOFLHQRHDSCEN-JOYOIKCWSA-N 0 0 241.762 3.885 20 10 BHCDRN CC[C@@H](C)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000309422502 633049586 /nfs/dbraw/zinc/04/95/86/633049586.db2.gz DUOFLHQRHDSCEN-SKDRFNHKSA-N 0 0 241.762 3.885 20 10 BHCDRN CC(C)C(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000309661739 632628274 /nfs/dbraw/zinc/62/82/74/632628274.db2.gz GGQHMYMBIAQYRB-UHFFFAOYSA-N 0 0 241.762 3.570 20 10 BHCDRN CCCC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000310013573 634075508 /nfs/dbraw/zinc/07/55/08/634075508.db2.gz JUBZUJXLFZWJFP-GFCCVEGCSA-N 0 0 241.762 3.886 20 10 BHCDRN CCCC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000310013574 634075470 /nfs/dbraw/zinc/07/54/70/634075470.db2.gz JUBZUJXLFZWJFP-LBPRGKRZSA-N 0 0 241.762 3.886 20 10 BHCDRN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC2(C)C)c(O)c1 ZINC000310208973 632709100 /nfs/dbraw/zinc/70/91/00/632709100.db2.gz ULUTYDQEHGLFFG-SMDDNHRTSA-N 0 0 233.355 3.540 20 10 BHCDRN CCC[C@@H](CC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310209155 632708951 /nfs/dbraw/zinc/70/89/51/632708951.db2.gz CEVYPPNRDKCNEP-CHWSQXEVSA-N 0 0 233.355 3.548 20 10 BHCDRN CCC[C@H](CC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310209176 632708811 /nfs/dbraw/zinc/70/88/11/632708811.db2.gz CEVYPPNRDKCNEP-STQMWFEESA-N 0 0 233.355 3.548 20 10 BHCDRN C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000311033366 636876501 /nfs/dbraw/zinc/87/65/01/636876501.db2.gz FGGROJGXIMQURH-RISCZKNCSA-N 0 0 245.366 3.548 20 10 BHCDRN CSCSc1ncc(C(C)(C)C)s1 ZINC000378863432 712364626 /nfs/dbraw/zinc/36/46/26/712364626.db2.gz VMEWAYXXFKCEEM-UHFFFAOYSA-N 0 0 233.427 3.853 20 10 BHCDRN CC(C)(C)CCSc1nccs1 ZINC000379318228 712373197 /nfs/dbraw/zinc/37/31/97/712373197.db2.gz KAKSKNXALIUAAB-UHFFFAOYSA-N 0 0 201.360 3.671 20 10 BHCDRN CC(C)CCCSc1nccs1 ZINC000379321841 712373934 /nfs/dbraw/zinc/37/39/34/712373934.db2.gz FVSLBOZBGJMUFZ-UHFFFAOYSA-N 0 0 201.360 3.671 20 10 BHCDRN C[C@@H]([NH2+]CC1=CCCCC1)c1ccc(F)cc1[O-] ZINC000379585830 712389383 /nfs/dbraw/zinc/38/93/83/712389383.db2.gz ZQCDIWWNOJJHJK-LLVKDONJSA-N 0 0 249.329 3.682 20 10 BHCDRN C[C@H]([NH2+]CC1=CCCCC1)c1ccc(F)cc1[O-] ZINC000379585831 712389265 /nfs/dbraw/zinc/38/92/65/712389265.db2.gz ZQCDIWWNOJJHJK-NSHDSACASA-N 0 0 249.329 3.682 20 10 BHCDRN CC[C@@H]([NH2+]CC(C)C)c1cccc(Cl)c1[O-] ZINC000381484838 710644891 /nfs/dbraw/zinc/64/48/91/710644891.db2.gz UVRKHICOIMXNOJ-GFCCVEGCSA-N 0 0 241.762 3.742 20 10 BHCDRN CC[C@H]([NH2+]CC(C)C)c1cccc(Cl)c1[O-] ZINC000381484839 710645145 /nfs/dbraw/zinc/64/51/45/710645145.db2.gz UVRKHICOIMXNOJ-LBPRGKRZSA-N 0 0 241.762 3.742 20 10 BHCDRN CCSCCSc1ncc(Cl)s1 ZINC000388388774 711059986 /nfs/dbraw/zinc/05/99/86/711059986.db2.gz ACGVNILWPPXYRZ-UHFFFAOYSA-N 0 0 239.818 3.642 20 10 BHCDRN CC(C)CCSc1ncc(Cl)s1 ZINC000388420182 711061572 /nfs/dbraw/zinc/06/15/72/711061572.db2.gz HFHFLMCGXXIBOQ-UHFFFAOYSA-N 0 0 221.778 3.935 20 10 BHCDRN CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000388614064 711916126 /nfs/dbraw/zinc/91/61/26/711916126.db2.gz CKWDVYVNCXUBTI-GZBFAFLISA-N 0 0 247.382 3.930 20 10 BHCDRN c1csc(SCCC2CCCC2)n1 ZINC000388675682 711065586 /nfs/dbraw/zinc/06/55/86/711065586.db2.gz YWIPWSDEHNEIIT-UHFFFAOYSA-N 0 0 213.371 3.816 20 10 BHCDRN CC(C)(C)c1cnc(SCCF)s1 ZINC000388835748 711069507 /nfs/dbraw/zinc/06/95/07/711069507.db2.gz XIJPRGJHVSOLED-UHFFFAOYSA-N 0 0 219.350 3.502 20 10 BHCDRN Nc1ccc(NCC2CCCCCC2)cc1 ZINC000389515112 711080086 /nfs/dbraw/zinc/08/00/86/711080086.db2.gz ARSOLCOGLJPVEE-UHFFFAOYSA-N 0 0 218.344 3.651 20 10 BHCDRN CCC(CC)(CC)CNc1ccc(N)cc1 ZINC000391200748 711137303 /nfs/dbraw/zinc/13/73/03/711137303.db2.gz XEAXRKQHFXWHPH-UHFFFAOYSA-N 0 0 220.360 3.897 20 10 BHCDRN C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccc(F)cc1[O-] ZINC000395656979 711214388 /nfs/dbraw/zinc/21/43/88/711214388.db2.gz WAMCUYWICACBNY-HZMBPMFUSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(F)cc1[O-] ZINC000395656981 711214056 /nfs/dbraw/zinc/21/40/56/711214056.db2.gz WAMCUYWICACBNY-IINYFYTJSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(F)cc1[O-] ZINC000395656983 711214762 /nfs/dbraw/zinc/21/47/62/711214762.db2.gz WAMCUYWICACBNY-QMTHXVAHSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccc(F)cc1[O-] ZINC000395656990 711214712 /nfs/dbraw/zinc/21/47/12/711214712.db2.gz WAMCUYWICACBNY-YGRLFVJLSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@@H]1CN(Cc2ccccc2O)c2ccccc21 ZINC000398512562 711411863 /nfs/dbraw/zinc/41/18/63/711411863.db2.gz QNPXQDJOUPQFQE-GFCCVEGCSA-N 0 0 239.318 3.516 20 10 BHCDRN C[C@H]1CN(Cc2ccccc2O)c2ccccc21 ZINC000398512564 711412445 /nfs/dbraw/zinc/41/24/45/711412445.db2.gz QNPXQDJOUPQFQE-LBPRGKRZSA-N 0 0 239.318 3.516 20 10 BHCDRN CC[C@H]([NH2+]CC1CC=CC1)c1ccc(F)cc1[O-] ZINC000527945726 387783158 /nfs/dbraw/zinc/78/31/58/387783158.db2.gz FSEYZFZYPKNZCL-AWEZNQCLSA-N 0 0 249.329 3.538 20 10 BHCDRN CC[C@@H]([NH2+]CC1CC=CC1)c1ccc(F)cc1[O-] ZINC000527945728 387782966 /nfs/dbraw/zinc/78/29/66/387782966.db2.gz FSEYZFZYPKNZCL-CQSZACIVSA-N 0 0 249.329 3.538 20 10 BHCDRN C[C@H]([NH2+][C@H]1CCCC12CC2)c1ccc(F)cc1[O-] ZINC000706956872 712163614 /nfs/dbraw/zinc/16/36/14/712163614.db2.gz NVMYILSDMRHFJT-HZMBPMFUSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@H]([NH2+][C@@H]1CCCC12CC2)c1ccc(F)cc1[O-] ZINC000706956877 712163540 /nfs/dbraw/zinc/16/35/40/712163540.db2.gz NVMYILSDMRHFJT-IINYFYTJSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1ccc(F)cc1[O-] ZINC000706956881 712163529 /nfs/dbraw/zinc/16/35/29/712163529.db2.gz NVMYILSDMRHFJT-QMTHXVAHSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@@H]([NH2+][C@H]1CCCC12CC2)c1ccc(F)cc1[O-] ZINC000706956886 712163666 /nfs/dbraw/zinc/16/36/66/712163666.db2.gz NVMYILSDMRHFJT-YGRLFVJLSA-N 0 0 249.329 3.515 20 10 BHCDRN CCc1cccc(CNc2cccc(C)c2)c1O ZINC000709424903 712221867 /nfs/dbraw/zinc/22/18/67/712221867.db2.gz XDCWZDIAIURVKO-UHFFFAOYSA-N 0 0 241.334 3.875 20 10 BHCDRN CC[C@H](CC(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000711107856 712281643 /nfs/dbraw/zinc/28/16/43/712281643.db2.gz VHXZBFXOZSLRAH-LLVKDONJSA-N 0 0 248.370 3.670 20 10 BHCDRN CC[C@@H](CC(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000711107857 712281240 /nfs/dbraw/zinc/28/12/40/712281240.db2.gz VHXZBFXOZSLRAH-NSHDSACASA-N 0 0 248.370 3.670 20 10 BHCDRN CCC(C)(C)CCN(C)c1ccc(N)cc1 ZINC000711273053 712292513 /nfs/dbraw/zinc/29/25/13/712292513.db2.gz BKWPXHFYZMUKDZ-UHFFFAOYSA-N 0 0 220.360 3.531 20 10 BHCDRN CCC[N@H+](CCC(C)C)Cc1ccccc1O ZINC000727830805 583781772 /nfs/dbraw/zinc/78/17/72/583781772.db2.gz PDXVGHZHWODEQC-UHFFFAOYSA-N 0 0 235.371 3.650 20 10 BHCDRN CCC[N@@H+](Cc1ccccc1O)CC1CCCC1 ZINC000727830819 583781783 /nfs/dbraw/zinc/78/17/83/583781783.db2.gz PSYDKDSGGGJXQZ-UHFFFAOYSA-N 0 0 247.382 3.794 20 10 BHCDRN CCC[N@H+](CC=C(C)C)Cc1ccccc1O ZINC000727831121 583781839 /nfs/dbraw/zinc/78/18/39/583781839.db2.gz JEEKYDLGMBEKQH-UHFFFAOYSA-N 0 0 233.355 3.570 20 10 BHCDRN CC(C)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC000730816280 584916792 /nfs/dbraw/zinc/91/67/92/584916792.db2.gz QJUYQNUVOBLLGC-UHFFFAOYSA-N 0 0 246.379 4.000 20 10 BHCDRN CC(C)c1cnc(CSc2nccs2)o1 ZINC000733208430 584945390 /nfs/dbraw/zinc/94/53/90/584945390.db2.gz ZVQDIMJLLWETKQ-UHFFFAOYSA-N 0 0 240.353 3.547 20 10 BHCDRN Cc1ccc2oc(Sc3nccs3)nc2c1 ZINC000734142476 584957425 /nfs/dbraw/zinc/95/74/25/584957425.db2.gz ZFWMUIXVMLWZBY-UHFFFAOYSA-N 0 0 248.332 3.744 20 10 BHCDRN c1csc(SCc2ccc3c(c2)CCC3)n1 ZINC000734367129 584961159 /nfs/dbraw/zinc/96/11/59/584961159.db2.gz DUBRFFQKHBLQAJ-UHFFFAOYSA-N 0 0 247.388 3.924 20 10 BHCDRN CCc1ccc(CSc2nccs2)cc1 ZINC000735233445 584974173 /nfs/dbraw/zinc/97/41/73/584974173.db2.gz XHCBYSMDDXPSDI-UHFFFAOYSA-N 0 0 235.377 3.998 20 10 BHCDRN CCCc1csc(-c2ccc(N(C)C)cc2)n1 ZINC000738413123 583617176 /nfs/dbraw/zinc/61/71/76/583617176.db2.gz MQONGSGXVWJIGV-UHFFFAOYSA-N 0 0 246.379 3.829 20 10 BHCDRN CCOc1ccc(N(C)[C@@H]2C=CCCC2)cc1 ZINC000739922246 585086211 /nfs/dbraw/zinc/08/62/11/585086211.db2.gz DLQWOHSNKTUHHP-CYBMUJFWSA-N 0 0 231.339 3.630 20 10 BHCDRN CCOc1ccc(N(C)[C@H]2C=CCCC2)cc1 ZINC000739922247 585086239 /nfs/dbraw/zinc/08/62/39/585086239.db2.gz DLQWOHSNKTUHHP-ZDUSSCGKSA-N 0 0 231.339 3.630 20 10 BHCDRN CCOc1ccc(N(C)CCC(C)C)cc1 ZINC000739922590 585086258 /nfs/dbraw/zinc/08/62/58/585086258.db2.gz MZIAEFOQGZKYKZ-UHFFFAOYSA-N 0 0 221.344 3.568 20 10 BHCDRN CCCCCN(C)c1ccc(OCC)cc1 ZINC000739923803 585086555 /nfs/dbraw/zinc/08/65/55/585086555.db2.gz LPIDMSDOWIFMIU-UHFFFAOYSA-N 0 0 221.344 3.712 20 10 BHCDRN CCOc1ccc(N(C)Cc2ccccc2)cc1 ZINC000739926370 583401283 /nfs/dbraw/zinc/40/12/83/583401283.db2.gz FELHGRZHRLYIFN-UHFFFAOYSA-N 0 0 241.334 3.722 20 10 BHCDRN CCOc1ccc(N(C)CC2CCCC2)cc1 ZINC000739926588 585086400 /nfs/dbraw/zinc/08/64/00/585086400.db2.gz ICAOMBKJGFLWQL-UHFFFAOYSA-N 0 0 233.355 3.712 20 10 BHCDRN CCOc1ccc(N(CC)CC2CCC2)cc1 ZINC000744391821 585149921 /nfs/dbraw/zinc/14/99/21/585149921.db2.gz LDQNATSVNBFATA-UHFFFAOYSA-N 0 0 233.355 3.712 20 10 BHCDRN CCCN(CC(C)C)c1ccc(OC)cc1 ZINC000746169913 585164383 /nfs/dbraw/zinc/16/43/83/585164383.db2.gz FYUJKOADNHAFHV-UHFFFAOYSA-N 0 0 221.344 3.568 20 10 BHCDRN c1csc(S[C@@H]2CCc3ccccc32)n1 ZINC000746386950 644582909 /nfs/dbraw/zinc/58/29/09/644582909.db2.gz DOMVVXYFSJPFCD-LLVKDONJSA-N 0 0 233.361 3.923 20 10 BHCDRN c1csc(S[C@H]2CCc3ccccc32)n1 ZINC000746386954 644583569 /nfs/dbraw/zinc/58/35/69/644583569.db2.gz DOMVVXYFSJPFCD-NSHDSACASA-N 0 0 233.361 3.923 20 10 BHCDRN FC1(F)CC[C@@H](CSc2nccs2)C1 ZINC000752934796 585251700 /nfs/dbraw/zinc/25/17/00/585251700.db2.gz WZUJHTVZWVSHGC-SSDOTTSWSA-N 0 0 235.324 3.671 20 10 BHCDRN FC1(F)CC[C@H](CSc2nccs2)C1 ZINC000752934799 585251604 /nfs/dbraw/zinc/25/16/04/585251604.db2.gz WZUJHTVZWVSHGC-ZETCQYMHSA-N 0 0 235.324 3.671 20 10 BHCDRN CCOc1ccc(Sc2nccs2)cc1 ZINC000753088424 585253523 /nfs/dbraw/zinc/25/35/23/585253523.db2.gz PHXLHTPYLZPSEV-UHFFFAOYSA-N 0 0 237.349 3.693 20 10 BHCDRN C[C@H]1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1O ZINC000753534201 585029703 /nfs/dbraw/zinc/02/97/03/585029703.db2.gz FKEKSXMJWBOMQA-UONOGXRCSA-N 0 0 247.382 3.650 20 10 BHCDRN C[C@@H]1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1O ZINC000753534215 585029647 /nfs/dbraw/zinc/02/96/47/585029647.db2.gz FKEKSXMJWBOMQA-ZIAGYGMSSA-N 0 0 247.382 3.650 20 10 BHCDRN CC(C)CCOc1ccc(N2CCCC2)cc1 ZINC000754302968 585282338 /nfs/dbraw/zinc/28/23/38/585282338.db2.gz NOSCLMYVHNSVHG-UHFFFAOYSA-N 0 0 233.355 3.712 20 10 BHCDRN CCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756342151 585317993 /nfs/dbraw/zinc/31/79/93/585317993.db2.gz NXQPKUKSXCNFSL-BDAKNGLRSA-N 0 0 243.297 3.510 20 10 BHCDRN CCC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756342158 585318139 /nfs/dbraw/zinc/31/81/39/585318139.db2.gz NXQPKUKSXCNFSL-DTWKUNHWSA-N 0 0 243.297 3.510 20 10 BHCDRN CCC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756342159 585317953 /nfs/dbraw/zinc/31/79/53/585317953.db2.gz NXQPKUKSXCNFSL-IUCAKERBSA-N 0 0 243.297 3.510 20 10 BHCDRN CCC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756342160 585318106 /nfs/dbraw/zinc/31/81/06/585318106.db2.gz NXQPKUKSXCNFSL-RKDXNWHRSA-N 0 0 243.297 3.510 20 10 BHCDRN CCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756344676 585317966 /nfs/dbraw/zinc/31/79/66/585317966.db2.gz UQUWCIKWFLTTEB-SECBINFHSA-N 0 0 243.297 3.511 20 10 BHCDRN CCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756344678 585317961 /nfs/dbraw/zinc/31/79/61/585317961.db2.gz UQUWCIKWFLTTEB-VIFPVBQESA-N 0 0 243.297 3.511 20 10 BHCDRN CCC(CC)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756345725 644625822 /nfs/dbraw/zinc/62/58/22/644625822.db2.gz YAGBKDOISZOIOH-MRVPVSSYSA-N 0 0 243.297 3.510 20 10 BHCDRN CCC(CC)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756345727 644624845 /nfs/dbraw/zinc/62/48/45/644624845.db2.gz YAGBKDOISZOIOH-QMMMGPOBSA-N 0 0 243.297 3.510 20 10 BHCDRN COc1ccc(N(C)CC2CCC2)cc1Cl ZINC000757856252 585346217 /nfs/dbraw/zinc/34/62/17/585346217.db2.gz LENBZFFMMGCYJU-UHFFFAOYSA-N 0 0 239.746 3.585 20 10 BHCDRN COc1ccc(N(C)CCC2CC2)cc1Cl ZINC000757856807 585346003 /nfs/dbraw/zinc/34/60/03/585346003.db2.gz NZUIKBLZTSICJH-UHFFFAOYSA-N 0 0 239.746 3.585 20 10 BHCDRN COc1ccc(N(C)C/C=C\Cl)cc1Cl ZINC000758143380 585350689 /nfs/dbraw/zinc/35/06/89/585350689.db2.gz VDLCGLIUEACETA-UTCJRWHESA-N 0 0 246.137 3.537 20 10 BHCDRN COc1ccc(N(C)C/C=C/Cl)cc1Cl ZINC000758143387 585350564 /nfs/dbraw/zinc/35/05/64/585350564.db2.gz VDLCGLIUEACETA-ZZXKWVIFSA-N 0 0 246.137 3.537 20 10 BHCDRN CCOCSc1ncc(C(C)(C)C)s1 ZINC000758385311 585355515 /nfs/dbraw/zinc/35/55/15/585355515.db2.gz OQDROSBDZHBKJZ-UHFFFAOYSA-N 0 0 231.386 3.527 20 10 BHCDRN CSCCSc1ncc(C(C)(C)C)s1 ZINC000759719807 585379417 /nfs/dbraw/zinc/37/94/17/585379417.db2.gz NHJVJQBJWMKUAS-UHFFFAOYSA-N 0 0 247.454 3.896 20 10 BHCDRN CC(C)Oc1ccc(N(C)C/C=C/Cl)cc1 ZINC000759927998 585383025 /nfs/dbraw/zinc/38/30/25/585383025.db2.gz LVJGQXSZIGGYPR-RUDMXATFSA-N 0 0 239.746 3.663 20 10 BHCDRN CC(C)Oc1ccc(N(C)C/C=C\Cl)cc1 ZINC000759927999 585382888 /nfs/dbraw/zinc/38/28/88/585382888.db2.gz LVJGQXSZIGGYPR-WTKPLQERSA-N 0 0 239.746 3.663 20 10 BHCDRN Cc1ccc(C)c(N(C)Cc2ccccc2O)c1 ZINC000761511272 585416574 /nfs/dbraw/zinc/41/65/74/585416574.db2.gz PXIJYEIDNSLTJD-UHFFFAOYSA-N 0 0 241.334 3.645 20 10 BHCDRN Fc1ccccc1CCSc1nccs1 ZINC000762960957 585440129 /nfs/dbraw/zinc/44/01/29/585440129.db2.gz IIFNGMVUMOMAMO-UHFFFAOYSA-N 0 0 239.340 3.617 20 10 BHCDRN Cn1c(-c2ccccc2)cnc1SCC1CC1 ZINC000763141142 585443532 /nfs/dbraw/zinc/44/35/32/585443532.db2.gz UMCAORPSERGZGQ-UHFFFAOYSA-N 0 0 244.363 3.589 20 10 BHCDRN c1csc(S[C@@H]2CCc3ccccc3C2)n1 ZINC000763180986 585444309 /nfs/dbraw/zinc/44/43/09/585444309.db2.gz SFROSVPESOITKI-GFCCVEGCSA-N 0 0 247.388 3.793 20 10 BHCDRN c1csc(S[C@H]2CCc3ccccc3C2)n1 ZINC000763180994 585444124 /nfs/dbraw/zinc/44/41/24/585444124.db2.gz SFROSVPESOITKI-LBPRGKRZSA-N 0 0 247.388 3.793 20 10 BHCDRN CC(C)(C)c1cnc(SCC2CC2)s1 ZINC000763258693 585445274 /nfs/dbraw/zinc/44/52/74/585445274.db2.gz FMIQEVNAVKISAE-UHFFFAOYSA-N 0 0 227.398 3.943 20 10 BHCDRN CC(C)Oc1ccc(N(C)Cc2ccoc2)cc1 ZINC000763543357 585450072 /nfs/dbraw/zinc/45/00/72/585450072.db2.gz HXMSJHHTHOWFDU-UHFFFAOYSA-N 0 0 245.322 3.703 20 10 BHCDRN CC(C)Oc1ccc(N(C)Cc2ccco2)cc1 ZINC000763547432 585450157 /nfs/dbraw/zinc/45/01/57/585450157.db2.gz XDMLBZCNGCNQJZ-UHFFFAOYSA-N 0 0 245.322 3.703 20 10 BHCDRN CC[C@@H](C)COc1ccc(N2CCCC2)cc1 ZINC000764565152 585467864 /nfs/dbraw/zinc/46/78/64/585467864.db2.gz ZIXZPVKGPDXFBC-CYBMUJFWSA-N 0 0 233.355 3.712 20 10 BHCDRN CC[C@H](C)COc1ccc(N2CCCC2)cc1 ZINC000764565154 585467784 /nfs/dbraw/zinc/46/77/84/585467784.db2.gz ZIXZPVKGPDXFBC-ZDUSSCGKSA-N 0 0 233.355 3.712 20 10 BHCDRN Cc1nc(Sc2ncc(Cl)s2)oc1C ZINC000765000133 585478959 /nfs/dbraw/zinc/47/89/59/585478959.db2.gz GZBVTFOEOUCDBK-UHFFFAOYSA-N 0 0 246.744 3.553 20 10 BHCDRN Oc1cccc(Sc2ncc(Cl)s2)c1 ZINC000765058592 585480254 /nfs/dbraw/zinc/48/02/54/585480254.db2.gz CISDQUXHCINWSF-UHFFFAOYSA-N 0 0 243.740 3.653 20 10 BHCDRN Cc1ccc(O)c(C[N@@H+]([C@H](C)C(C)C)C2CC2)c1 ZINC000768138822 585532979 /nfs/dbraw/zinc/53/29/79/585532979.db2.gz UWEAPVZVUHPKII-CYBMUJFWSA-N 0 0 247.382 3.710 20 10 BHCDRN Cc1ccc(O)c(C[N@@H+]([C@@H](C)C(C)C)C2CC2)c1 ZINC000768138824 585532896 /nfs/dbraw/zinc/53/28/96/585532896.db2.gz UWEAPVZVUHPKII-ZDUSSCGKSA-N 0 0 247.382 3.710 20 10 BHCDRN Cc1ccc(O)c(C[N@@H+](CCC(C)C)C2CC2)c1 ZINC000768256827 585534766 /nfs/dbraw/zinc/53/47/66/585534766.db2.gz FOMROPCANMVUDE-UHFFFAOYSA-N 0 0 247.382 3.711 20 10 BHCDRN CCC(CC)[N@H+](Cc1cc(C)ccc1O)C1CC1 ZINC000768257756 585534657 /nfs/dbraw/zinc/53/46/57/585534657.db2.gz PEZLAJIRJKRUSO-UHFFFAOYSA-N 0 0 247.382 3.854 20 10 BHCDRN CC[C@@H](C)c1nc(-c2ccc(O)c(O)c2)cs1 ZINC000768752907 585542397 /nfs/dbraw/zinc/54/23/97/585542397.db2.gz RDDZFQWTLJNGQL-MRVPVSSYSA-N 0 0 249.335 3.735 20 10 BHCDRN CC[C@H](C)c1nc(-c2ccc(O)c(O)c2)cs1 ZINC000768752909 585542297 /nfs/dbraw/zinc/54/22/97/585542297.db2.gz RDDZFQWTLJNGQL-QMMMGPOBSA-N 0 0 249.335 3.735 20 10 BHCDRN Cc1cc(O)c(CN(C)c2ccccc2)cc1C ZINC000770500537 585574796 /nfs/dbraw/zinc/57/47/96/585574796.db2.gz GCDHIOCOXJJRQX-UHFFFAOYSA-N 0 0 241.334 3.645 20 10 BHCDRN CC(C)CC1CC[NH+](Cc2ccccc2O)CC1 ZINC000770506151 585575031 /nfs/dbraw/zinc/57/50/31/585575031.db2.gz VEOYXXRHFGOQPV-UHFFFAOYSA-N 0 0 247.382 3.650 20 10 BHCDRN C[C@H]1CCC[C@H](C[N@H+](C)Cc2ccccc2O)C1 ZINC000771445586 585003494 /nfs/dbraw/zinc/00/34/94/585003494.db2.gz AALMWUIPZJBNDB-KBPBESRZSA-N 0 0 247.382 3.650 20 10 BHCDRN C[C@@H]1CCC[C@H](C[N@H+](C)Cc2ccccc2O)C1 ZINC000771445589 585003687 /nfs/dbraw/zinc/00/36/87/585003687.db2.gz AALMWUIPZJBNDB-KGLIPLIRSA-N 0 0 247.382 3.650 20 10 BHCDRN C[C@H]1CCC[C@@H](C[N@H+](C)Cc2ccccc2O)C1 ZINC000771445592 585003673 /nfs/dbraw/zinc/00/36/73/585003673.db2.gz AALMWUIPZJBNDB-UONOGXRCSA-N 0 0 247.382 3.650 20 10 BHCDRN C[C@@H]1CCC[C@@H](C[N@H+](C)Cc2ccccc2O)C1 ZINC000771445594 585003481 /nfs/dbraw/zinc/00/34/81/585003481.db2.gz AALMWUIPZJBNDB-ZIAGYGMSSA-N 0 0 247.382 3.650 20 10 BHCDRN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000774622528 585662374 /nfs/dbraw/zinc/66/23/74/585662374.db2.gz XDLLBDJBOQICKO-ABAIWWIYSA-N 0 0 247.382 3.629 20 10 BHCDRN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000774622531 585662278 /nfs/dbraw/zinc/66/22/78/585662278.db2.gz XDLLBDJBOQICKO-IAQYHMDHSA-N 0 0 247.382 3.629 20 10 BHCDRN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000774622533 585662259 /nfs/dbraw/zinc/66/22/59/585662259.db2.gz XDLLBDJBOQICKO-NHYWBVRUSA-N 0 0 247.382 3.629 20 10 BHCDRN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000774622536 585662438 /nfs/dbraw/zinc/66/24/38/585662438.db2.gz XDLLBDJBOQICKO-XHDPSFHLSA-N 0 0 247.382 3.629 20 10 BHCDRN C[C@@H](C1CCCCC1)[N@H+](C)Cc1ccccc1O ZINC000775206395 585673275 /nfs/dbraw/zinc/67/32/75/585673275.db2.gz NWTSGKYFJNIVIJ-ZDUSSCGKSA-N 0 0 247.382 3.793 20 10 BHCDRN CC[C@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccccc1O ZINC000775526986 585678979 /nfs/dbraw/zinc/67/89/79/585678979.db2.gz UVQVSCRACWDCDP-AAEUAGOBSA-N 0 0 244.338 3.522 20 10 BHCDRN CC[C@@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccccc1O ZINC000775526987 585678911 /nfs/dbraw/zinc/67/89/11/585678911.db2.gz UVQVSCRACWDCDP-DGCLKSJQSA-N 0 0 244.338 3.522 20 10 BHCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccccc1O ZINC000775526988 585678901 /nfs/dbraw/zinc/67/89/01/585678901.db2.gz UVQVSCRACWDCDP-WCQYABFASA-N 0 0 244.338 3.522 20 10 BHCDRN CC[C@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccccc1O ZINC000775526989 585679030 /nfs/dbraw/zinc/67/90/30/585679030.db2.gz UVQVSCRACWDCDP-YPMHNXCESA-N 0 0 244.338 3.522 20 10 BHCDRN Cc1cccc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1O ZINC000775708088 585683492 /nfs/dbraw/zinc/68/34/92/585683492.db2.gz LYVSXUUQUZGSLW-GXTWGEPZSA-N 0 0 247.382 3.711 20 10 BHCDRN Cc1cccc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1O ZINC000775708089 585683327 /nfs/dbraw/zinc/68/33/27/585683327.db2.gz LYVSXUUQUZGSLW-JSGCOSHPSA-N 0 0 247.382 3.711 20 10 BHCDRN Cc1cccc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1O ZINC000775708090 585683240 /nfs/dbraw/zinc/68/32/40/585683240.db2.gz LYVSXUUQUZGSLW-OCCSQVGLSA-N 0 0 247.382 3.711 20 10 BHCDRN Cc1cccc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1O ZINC000775708091 585683400 /nfs/dbraw/zinc/68/34/00/585683400.db2.gz LYVSXUUQUZGSLW-TZMCWYRMSA-N 0 0 247.382 3.711 20 10 BHCDRN FCc1ccc(CSc2nccs2)cc1 ZINC000777535513 585714318 /nfs/dbraw/zinc/71/43/18/585714318.db2.gz SBTRIUMMBFDFLM-UHFFFAOYSA-N 0 0 239.340 3.905 20 10 BHCDRN Cc1cc(O)c(C[N@H+]2CC=CCC2)cc1C(C)C ZINC000778576889 585737593 /nfs/dbraw/zinc/73/75/93/585737593.db2.gz ODYLTVDHBZRRIQ-UHFFFAOYSA-N 0 0 245.366 3.586 20 10 BHCDRN Oc1ccccc1C[N@@H+]1CCCC12CCCCC2 ZINC000779022552 585744269 /nfs/dbraw/zinc/74/42/69/585744269.db2.gz FBGIJSBEFWKLEN-UHFFFAOYSA-N 0 0 245.366 3.691 20 10 BHCDRN CC(C)(C)C1=CC[N@H+](Cc2ccccc2O)CC1 ZINC000779034841 585744203 /nfs/dbraw/zinc/74/42/03/585744203.db2.gz VCJGNNQIMLNJJS-UHFFFAOYSA-N 0 0 245.366 3.570 20 10 BHCDRN c1csc(SC[C@H]2CCc3ccccc32)n1 ZINC000779760388 585761326 /nfs/dbraw/zinc/76/13/26/585761326.db2.gz VXRFARUVFDRQTF-LLVKDONJSA-N 0 0 247.388 3.965 20 10 BHCDRN c1csc(SC[C@@H]2CCc3ccccc32)n1 ZINC000779760389 585761395 /nfs/dbraw/zinc/76/13/95/585761395.db2.gz VXRFARUVFDRQTF-NSHDSACASA-N 0 0 247.388 3.965 20 10 BHCDRN CCOc1ccc(N(C)Cc2ccsc2)cc1 ZINC000780773602 585784568 /nfs/dbraw/zinc/78/45/68/585784568.db2.gz AKOLASJFEMQCBM-UHFFFAOYSA-N 0 0 247.363 3.783 20 10 BHCDRN Oc1ccc(Sc2ncc(Cl)s2)cc1 ZINC000780909239 644735656 /nfs/dbraw/zinc/73/56/56/644735656.db2.gz ZFVTXFXGIAZGSJ-UHFFFAOYSA-N 0 0 243.740 3.653 20 10 BHCDRN CCc1ccccc1CSc1nccs1 ZINC000782274657 585813663 /nfs/dbraw/zinc/81/36/63/585813663.db2.gz CBSPSCFHHZZAQQ-UHFFFAOYSA-N 0 0 235.377 3.998 20 10 BHCDRN c1csc(SCCCc2ccsc2)n1 ZINC000782907591 585826013 /nfs/dbraw/zinc/82/60/13/585826013.db2.gz JGNUAOLGHQMZQL-UHFFFAOYSA-N 0 0 241.406 3.930 20 10 BHCDRN CCN(Cc1cccs1)c1ccc(OC)cc1 ZINC000782963385 585826654 /nfs/dbraw/zinc/82/66/54/585826654.db2.gz XRRYPOYQXZAAOD-UHFFFAOYSA-N 0 0 247.363 3.783 20 10 BHCDRN Cc1cccc(N(C)Cc2ccccc2O)c1C ZINC000783695145 585840446 /nfs/dbraw/zinc/84/04/46/585840446.db2.gz JUVXJPAUKIPJET-UHFFFAOYSA-N 0 0 241.334 3.645 20 10 BHCDRN Fc1ccc(Sc2nccs2)c(F)c1 ZINC000784171611 585852340 /nfs/dbraw/zinc/85/23/40/585852340.db2.gz PXAJPPVLXROHMQ-UHFFFAOYSA-N 0 0 229.276 3.573 20 10 BHCDRN Fc1ccc(F)c(Sc2nccs2)c1 ZINC000784175511 585852378 /nfs/dbraw/zinc/85/23/78/585852378.db2.gz ITBNSFXIXDNNPD-UHFFFAOYSA-N 0 0 229.276 3.573 20 10 BHCDRN Fc1ccc(Sc2nccs2)cc1F ZINC000784176204 585852623 /nfs/dbraw/zinc/85/26/23/585852623.db2.gz ZWKBFDHDZSITSN-UHFFFAOYSA-N 0 0 229.276 3.573 20 10 BHCDRN CCc1cccc(CSc2nccs2)c1 ZINC000786721731 585896946 /nfs/dbraw/zinc/89/69/46/585896946.db2.gz GYTUELSAGHXGLX-UHFFFAOYSA-N 0 0 235.377 3.998 20 10 BHCDRN COc1ccc(N(C)CC2(C)CC2)cc1Cl ZINC000787270031 585904324 /nfs/dbraw/zinc/90/43/24/585904324.db2.gz DIOJFZVRGBZONB-UHFFFAOYSA-N 0 0 239.746 3.585 20 10 BHCDRN CC(C)(C)OCCCCSc1nccs1 ZINC000788811694 585930590 /nfs/dbraw/zinc/93/05/90/585930590.db2.gz SZXCJVGCTYBWTA-UHFFFAOYSA-N 0 0 245.413 3.831 20 10 BHCDRN CCOc1ccc(N(C)CCCCCF)cc1 ZINC000792868910 586006083 /nfs/dbraw/zinc/00/60/83/586006083.db2.gz YOQQLYHGXHBOOZ-UHFFFAOYSA-N 0 0 239.334 3.661 20 10 BHCDRN CCN(CCCCCF)c1ccc(OC)cc1 ZINC000792870881 586006078 /nfs/dbraw/zinc/00/60/78/586006078.db2.gz KGEVKCZDAFHXNM-UHFFFAOYSA-N 0 0 239.334 3.661 20 10 BHCDRN CCC[C@@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000794792568 586048809 /nfs/dbraw/zinc/04/88/09/586048809.db2.gz FZQGGSUMMKTOLQ-OCCSQVGLSA-N 0 0 235.371 3.930 20 10 BHCDRN CCC[C@@H](C)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000794792570 586048849 /nfs/dbraw/zinc/04/88/49/586048849.db2.gz FZQGGSUMMKTOLQ-TZMCWYRMSA-N 0 0 235.371 3.930 20 10 BHCDRN Cc1cc(O)c(C[N@@H+]2CCC(C)=C(C)C2)cc1C ZINC000794880380 586052999 /nfs/dbraw/zinc/05/29/99/586052999.db2.gz KXKRUKIAQRPGFC-UHFFFAOYSA-N 0 0 245.366 3.551 20 10 BHCDRN COc1ccc(N(C)CCCCF)cc1Cl ZINC000795934651 586094693 /nfs/dbraw/zinc/09/46/93/586094693.db2.gz XIWOJOXFFKGEFR-UHFFFAOYSA-N 0 0 245.725 3.535 20 10 BHCDRN CCOc1ccc(N(CC)CCCCF)cc1 ZINC000795942789 586095016 /nfs/dbraw/zinc/09/50/16/586095016.db2.gz CMGKNWDGLHNAJE-UHFFFAOYSA-N 0 0 239.334 3.661 20 10 BHCDRN CC(C)Oc1ccc(N(C)CCCCF)cc1 ZINC000796040774 586096855 /nfs/dbraw/zinc/09/68/55/586096855.db2.gz JFGAFNMUENWCAJ-UHFFFAOYSA-N 0 0 239.334 3.660 20 10 BHCDRN CC[C@@H]([NH2+]C1CCCC1)c1ccc(F)cc1[O-] ZINC000796662872 586109477 /nfs/dbraw/zinc/10/94/77/586109477.db2.gz INPUSJFVKPFNHH-CYBMUJFWSA-N 0 0 237.318 3.515 20 10 BHCDRN CC[C@H]([NH2+]C1CCCC1)c1ccc(F)cc1[O-] ZINC000796662875 586109635 /nfs/dbraw/zinc/10/96/35/586109635.db2.gz INPUSJFVKPFNHH-ZDUSSCGKSA-N 0 0 237.318 3.515 20 10 BHCDRN CCC(CC)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796663780 586109657 /nfs/dbraw/zinc/10/96/57/586109657.db2.gz PZTQRVYXUFXONK-CYBMUJFWSA-N 0 0 239.334 3.761 20 10 BHCDRN CCC(CC)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796663782 586109608 /nfs/dbraw/zinc/10/96/08/586109608.db2.gz PZTQRVYXUFXONK-ZDUSSCGKSA-N 0 0 239.334 3.761 20 10 BHCDRN CCC[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796664515 586109570 /nfs/dbraw/zinc/10/95/70/586109570.db2.gz XTFSGQUOKBRXAW-GWCFXTLKSA-N 0 0 239.334 3.761 20 10 BHCDRN CCC[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796664517 586109552 /nfs/dbraw/zinc/10/95/52/586109552.db2.gz XTFSGQUOKBRXAW-GXFFZTMASA-N 0 0 239.334 3.761 20 10 BHCDRN CCC[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796664518 586109795 /nfs/dbraw/zinc/10/97/95/586109795.db2.gz XTFSGQUOKBRXAW-MFKMUULPSA-N 0 0 239.334 3.761 20 10 BHCDRN CCC[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796664519 586109700 /nfs/dbraw/zinc/10/97/00/586109700.db2.gz XTFSGQUOKBRXAW-ZWNOBZJWSA-N 0 0 239.334 3.761 20 10 BHCDRN CC[C@@H]([NH2+]CCC(C)C)c1ccc(F)cc1[O-] ZINC000796665478 586109679 /nfs/dbraw/zinc/10/96/79/586109679.db2.gz JJACNBXSCGGGID-CYBMUJFWSA-N 0 0 239.334 3.618 20 10 BHCDRN CC[C@H]([NH2+]CCC(C)C)c1ccc(F)cc1[O-] ZINC000796665480 586109862 /nfs/dbraw/zinc/10/98/62/586109862.db2.gz JJACNBXSCGGGID-ZDUSSCGKSA-N 0 0 239.334 3.618 20 10 BHCDRN CCCCC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796666243 586109761 /nfs/dbraw/zinc/10/97/61/586109761.db2.gz OUKBVQWHCYKZME-CYBMUJFWSA-N 0 0 239.334 3.762 20 10 BHCDRN CCCCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796666244 586109735 /nfs/dbraw/zinc/10/97/35/586109735.db2.gz OUKBVQWHCYKZME-ZDUSSCGKSA-N 0 0 239.334 3.762 20 10 BHCDRN CC[C@@H]([NH2+]CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796704098 586110557 /nfs/dbraw/zinc/11/05/57/586110557.db2.gz GPOFAVVKNPBOPP-GFCCVEGCSA-N 0 0 239.334 3.618 20 10 BHCDRN CC[C@H]([NH2+]CC(C)(C)C)c1ccc(F)cc1[O-] ZINC000796704099 586110576 /nfs/dbraw/zinc/11/05/76/586110576.db2.gz GPOFAVVKNPBOPP-LBPRGKRZSA-N 0 0 239.334 3.618 20 10 BHCDRN CC[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)cc1[O-] ZINC000796816875 586113495 /nfs/dbraw/zinc/11/34/95/586113495.db2.gz LDCNOVSCJNCNPV-GXTWGEPZSA-N 0 0 249.329 3.681 20 10 BHCDRN CC[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)cc1[O-] ZINC000796816893 586113484 /nfs/dbraw/zinc/11/34/84/586113484.db2.gz LDCNOVSCJNCNPV-JSGCOSHPSA-N 0 0 249.329 3.681 20 10 BHCDRN CC[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)cc1[O-] ZINC000796816896 586113488 /nfs/dbraw/zinc/11/34/88/586113488.db2.gz LDCNOVSCJNCNPV-OCCSQVGLSA-N 0 0 249.329 3.681 20 10 BHCDRN CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)cc1[O-] ZINC000796816899 586113527 /nfs/dbraw/zinc/11/35/27/586113527.db2.gz LDCNOVSCJNCNPV-TZMCWYRMSA-N 0 0 249.329 3.681 20 10 BHCDRN CC[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000796890742 586116393 /nfs/dbraw/zinc/11/63/93/586116393.db2.gz WRCHGZJPAGTQPA-CYBMUJFWSA-N 0 0 249.329 3.515 20 10 BHCDRN CC[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000796890743 586116322 /nfs/dbraw/zinc/11/63/22/586116322.db2.gz WRCHGZJPAGTQPA-ZDUSSCGKSA-N 0 0 249.329 3.515 20 10 BHCDRN CC[C@@H]([NH2+]CC=C(C)C)c1ccc(F)cc1[O-] ZINC000796965468 586118069 /nfs/dbraw/zinc/11/80/69/586118069.db2.gz JVHLGKUGJXSFJO-CYBMUJFWSA-N 0 0 237.318 3.538 20 10 BHCDRN CC[C@H]([NH2+]CC=C(C)C)c1ccc(F)cc1[O-] ZINC000796965471 586118106 /nfs/dbraw/zinc/11/81/06/586118106.db2.gz JVHLGKUGJXSFJO-ZDUSSCGKSA-N 0 0 237.318 3.538 20 10 BHCDRN CC(C)CCCSc1ncc([N+](=O)[O-])s1 ZINC000799949124 586203177 /nfs/dbraw/zinc/20/31/77/586203177.db2.gz GPEHBCGAGMKMSV-UHFFFAOYSA-N 0 0 246.357 3.580 20 10 BHCDRN CCC[C@@H](CC)Sc1ncc([N+](=O)[O-])s1 ZINC000799959873 586203532 /nfs/dbraw/zinc/20/35/32/586203532.db2.gz AYYNGCBSNVFZSI-SSDOTTSWSA-N 0 0 246.357 3.722 20 10 BHCDRN CCC[C@H](CC)Sc1ncc([N+](=O)[O-])s1 ZINC000799959875 586203714 /nfs/dbraw/zinc/20/37/14/586203714.db2.gz AYYNGCBSNVFZSI-ZETCQYMHSA-N 0 0 246.357 3.722 20 10 BHCDRN CC(C)C(C)(C)Sc1ncc([N+](=O)[O-])s1 ZINC000799960262 586203196 /nfs/dbraw/zinc/20/31/96/586203196.db2.gz RXSCSYBLOMQUDD-UHFFFAOYSA-N 0 0 246.357 3.578 20 10 BHCDRN CC(C)=CCOc1ccc(N2CCCC2)cc1 ZINC000808260406 586468707 /nfs/dbraw/zinc/46/87/07/586468707.db2.gz OSDYHCNETISCEV-UHFFFAOYSA-N 0 0 231.339 3.632 20 10 BHCDRN CCC(CC)[N@H+](CC)Cc1cccc(F)c1[O-] ZINC000809787395 586519919 /nfs/dbraw/zinc/51/99/19/586519919.db2.gz BQPSHILDLZOGNT-UHFFFAOYSA-N 0 0 239.334 3.542 20 10 BHCDRN Cc1cnccc1Sc1ncc(Cl)s1 ZINC000814973795 586662534 /nfs/dbraw/zinc/66/25/34/586662534.db2.gz KDUKBJXAVQMPFS-UHFFFAOYSA-N 0 0 242.756 3.651 20 10 BHCDRN CCC[N@H+](CC)Cc1ccc2ccccc2c1O ZINC000816477732 586734682 /nfs/dbraw/zinc/73/46/82/586734682.db2.gz IOODJLWSHPWIBE-UHFFFAOYSA-N 0 0 243.350 3.777 20 10 BHCDRN CC[C@H]1CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816617082 586744276 /nfs/dbraw/zinc/74/42/76/586744276.db2.gz ONONACHBFHVIBL-AWEZNQCLSA-N 0 0 241.334 3.530 20 10 BHCDRN CC[C@@H]1CC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816617083 586744607 /nfs/dbraw/zinc/74/46/07/586744607.db2.gz ONONACHBFHVIBL-CQSZACIVSA-N 0 0 241.334 3.530 20 10 BHCDRN Oc1ccccc1C[NH2+]C1CC2(C1)CCCCC2 ZINC000817407251 644978716 /nfs/dbraw/zinc/97/87/16/644978716.db2.gz HETMEXYCQRJHER-UHFFFAOYSA-N 0 0 245.366 3.595 20 10 BHCDRN Nc1ccc(NCc2cccc(C3CC3)c2)cc1 ZINC000817864928 586830541 /nfs/dbraw/zinc/83/05/41/586830541.db2.gz RTPDFEVPTXMAMK-UHFFFAOYSA-N 0 0 238.334 3.758 20 10 BHCDRN CCC1(C(=O)Nc2ccc(N)cc2)CCCCC1 ZINC000818556274 586900021 /nfs/dbraw/zinc/90/00/21/586900021.db2.gz HKQLKSBFOJENHP-UHFFFAOYSA-N 0 0 246.354 3.568 20 10 BHCDRN CC1(CC(=O)Nc2ccc(N)cc2)CCCCC1 ZINC000818556326 586900872 /nfs/dbraw/zinc/90/08/72/586900872.db2.gz MCIHMLSHBLORJL-UHFFFAOYSA-N 0 0 246.354 3.568 20 10 BHCDRN CC(C)CCCCCC(=O)Nc1ccc(N)cc1 ZINC000818556388 586900835 /nfs/dbraw/zinc/90/08/35/586900835.db2.gz QQPQKPKERDJMSD-UHFFFAOYSA-N 0 0 248.370 3.814 20 10 BHCDRN CC1(C(=O)Nc2ccc(N)cc2)CCCCCC1 ZINC000818556545 586900936 /nfs/dbraw/zinc/90/09/36/586900936.db2.gz ZFGSOEIKNBTVFZ-UHFFFAOYSA-N 0 0 246.354 3.568 20 10 BHCDRN Cc1nsc(C)c1CSc1nccs1 ZINC000821078116 587094377 /nfs/dbraw/zinc/09/43/77/587094377.db2.gz IOEMBOUAJPQMCS-UHFFFAOYSA-N 0 0 242.394 3.509 20 10 BHCDRN CCCCCCC(=O)N[C@H](C)c1ccccc1O ZINC000827923079 587409852 /nfs/dbraw/zinc/40/98/52/587409852.db2.gz JELCUXNAFDXCJL-GFCCVEGCSA-N 0 0 249.354 3.540 20 10 BHCDRN CCCCCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827981963 587415170 /nfs/dbraw/zinc/41/51/70/587415170.db2.gz JELCUXNAFDXCJL-LBPRGKRZSA-N 0 0 249.354 3.540 20 10 BHCDRN CC(C)(C)OC1CC(Sc2nccs2)C1 ZINC000829099868 587483059 /nfs/dbraw/zinc/48/30/59/587483059.db2.gz AMSTXPHMYKTKFG-UHFFFAOYSA-N 0 0 243.397 3.581 20 10 BHCDRN CC(C)C[C@@H](C)Sc1nccs1 ZINC000829100031 587483016 /nfs/dbraw/zinc/48/30/16/587483016.db2.gz HKMTZDRSTINURV-MRVPVSSYSA-N 0 0 201.360 3.670 20 10 BHCDRN CC(C)C[C@H](C)Sc1nccs1 ZINC000829100032 587482997 /nfs/dbraw/zinc/48/29/97/587482997.db2.gz HKMTZDRSTINURV-QMMMGPOBSA-N 0 0 201.360 3.670 20 10 BHCDRN CC/C=C\C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000834877746 587769055 /nfs/dbraw/zinc/76/90/55/587769055.db2.gz WMUQLWPYCPHWED-CFHLNLSMSA-N 0 0 237.318 3.538 20 10 BHCDRN CC/C=C/C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000834877748 587769045 /nfs/dbraw/zinc/76/90/45/587769045.db2.gz WMUQLWPYCPHWED-GFUIURDCSA-N 0 0 237.318 3.538 20 10 BHCDRN CC/C=C\C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000834877749 587769003 /nfs/dbraw/zinc/76/90/03/587769003.db2.gz WMUQLWPYCPHWED-SZZPACECSA-N 0 0 237.318 3.538 20 10 BHCDRN CC/C=C/C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000834877750 587769107 /nfs/dbraw/zinc/76/91/07/587769107.db2.gz WMUQLWPYCPHWED-URWSZGRFSA-N 0 0 237.318 3.538 20 10 BHCDRN CSCCCSc1ncc(Cl)s1 ZINC000840312636 586613517 /nfs/dbraw/zinc/61/35/17/586613517.db2.gz QDSTZWKNHDJECA-UHFFFAOYSA-N 0 0 239.818 3.642 20 10 BHCDRN Cc1cc(N(C)C)ccc1CNc1ccccc1 ZINC000840926399 583159859 /nfs/dbraw/zinc/15/98/59/583159859.db2.gz OHXMZWMHKNBKNB-UHFFFAOYSA-N 0 0 240.350 3.673 20 10 BHCDRN Nc1ccc(NCc2ccccc2C2CC2)cc1 ZINC000841039848 587938428 /nfs/dbraw/zinc/93/84/28/587938428.db2.gz CGHHVTHQEJQLOF-UHFFFAOYSA-N 0 0 238.334 3.758 20 10 BHCDRN CC(C)(CNc1ccc(N)cc1)c1ccccc1 ZINC000841039914 587938356 /nfs/dbraw/zinc/93/83/56/587938356.db2.gz DTNFGXGBMPLCMR-UHFFFAOYSA-N 0 0 240.350 3.659 20 10 BHCDRN Cc1cc(C)c(CNc2ccc(N)cc2)c(C)c1 ZINC000841040185 587938787 /nfs/dbraw/zinc/93/87/87/587938787.db2.gz LNDUWPIHQPSHBW-UHFFFAOYSA-N 0 0 240.350 3.806 20 10 BHCDRN CC[C@H](CNc1ccc(N)cc1)c1ccccc1 ZINC000841040358 584116436 /nfs/dbraw/zinc/11/64/36/584116436.db2.gz PWCUYPQDVYMAEX-CYBMUJFWSA-N 0 0 240.350 3.875 20 10 BHCDRN CC[C@@H](CNc1ccc(N)cc1)c1ccccc1 ZINC000841040383 584116375 /nfs/dbraw/zinc/11/63/75/584116375.db2.gz PWCUYPQDVYMAEX-ZDUSSCGKSA-N 0 0 240.350 3.875 20 10 BHCDRN Cc1cc(C)c(CNc2ccc(N)cc2)cc1C ZINC000841040683 587938764 /nfs/dbraw/zinc/93/87/64/587938764.db2.gz XHAMBSYIUKIUGT-UHFFFAOYSA-N 0 0 240.350 3.806 20 10 BHCDRN CCCc1cccc(CNc2ccc(N)cc2)c1 ZINC000841040720 587938445 /nfs/dbraw/zinc/93/84/45/587938445.db2.gz YAXLZHBPQZLYBP-UHFFFAOYSA-N 0 0 240.350 3.833 20 10 BHCDRN C[C@@H](CNc1ccc(N)cc1)Cc1ccccc1 ZINC000841040808 587938478 /nfs/dbraw/zinc/93/84/78/587938478.db2.gz ZKJZGTYWGFPIQL-CYBMUJFWSA-N 0 0 240.350 3.560 20 10 BHCDRN C[C@H](CNc1ccc(N)cc1)Cc1ccccc1 ZINC000841040809 587938337 /nfs/dbraw/zinc/93/83/37/587938337.db2.gz ZKJZGTYWGFPIQL-ZDUSSCGKSA-N 0 0 240.350 3.560 20 10 BHCDRN Nc1ccc(NCc2ccc(C3CC3)cc2)cc1 ZINC000841041277 587938320 /nfs/dbraw/zinc/93/83/20/587938320.db2.gz ZRNWXTYHCAWHAG-UHFFFAOYSA-N 0 0 238.334 3.758 20 10 BHCDRN C[C@@H]([NH2+]C1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841743882 583991334 /nfs/dbraw/zinc/99/13/34/583991334.db2.gz KMZXPKINVHCROO-SECBINFHSA-N 0 0 239.746 3.639 20 10 BHCDRN C[C@H]([NH2+]C1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841743884 583991375 /nfs/dbraw/zinc/99/13/75/583991375.db2.gz KMZXPKINVHCROO-VIFPVBQESA-N 0 0 239.746 3.639 20 10 BHCDRN C[C@@H]([NH2+]CC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841744962 587973499 /nfs/dbraw/zinc/97/34/99/587973499.db2.gz LTTNUWUDLFSQNS-SECBINFHSA-N 0 0 241.762 3.742 20 10 BHCDRN C[C@H]([NH2+]CC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841744964 587973931 /nfs/dbraw/zinc/97/39/31/587973931.db2.gz LTTNUWUDLFSQNS-VIFPVBQESA-N 0 0 241.762 3.742 20 10 BHCDRN CCC1([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841753219 587974257 /nfs/dbraw/zinc/97/42/57/587974257.db2.gz FCUYZNBFHGWJBC-SECBINFHSA-N 0 0 239.746 3.639 20 10 BHCDRN CCC1([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841753220 587974324 /nfs/dbraw/zinc/97/43/24/587974324.db2.gz FCUYZNBFHGWJBC-VIFPVBQESA-N 0 0 239.746 3.639 20 10 BHCDRN C[C@H]([NH2+]C1(C2CCC2)CC1)c1ccc(F)cc1[O-] ZINC000846208550 588260173 /nfs/dbraw/zinc/26/01/73/588260173.db2.gz ZPAWIVLXERZKPY-JTQLQIEISA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@@H]([NH2+]C1(C2CCC2)CC1)c1ccc(F)cc1[O-] ZINC000846208552 588259909 /nfs/dbraw/zinc/25/99/09/588259909.db2.gz ZPAWIVLXERZKPY-SNVBAGLBSA-N 0 0 249.329 3.515 20 10 BHCDRN CCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846747890 588284690 /nfs/dbraw/zinc/28/46/90/588284690.db2.gz XPTNHXFABWHHLM-UHFFFAOYSA-N 0 0 232.352 3.656 20 10 BHCDRN CN(CC1CC1)c1ccc(-c2nccs2)cc1 ZINC000846748150 588284610 /nfs/dbraw/zinc/28/46/10/588284610.db2.gz HRKSPXVCIFGUTN-UHFFFAOYSA-N 0 0 244.363 3.656 20 10 BHCDRN CCCCSc1ncc(Cl)s1 ZINC000849997906 588513302 /nfs/dbraw/zinc/51/33/02/588513302.db2.gz GOJCJPWRKLOOMA-UHFFFAOYSA-N 0 0 207.751 3.689 20 10 BHCDRN CC(=O)CCCCSc1ncc(Cl)s1 ZINC000849998351 588513191 /nfs/dbraw/zinc/51/31/91/588513191.db2.gz DRWYKXWOEHANCD-UHFFFAOYSA-N 0 0 249.788 3.648 20 10 BHCDRN CC(C)(C)C(=O)CSc1ncc(Cl)s1 ZINC000849998639 588513112 /nfs/dbraw/zinc/51/31/12/588513112.db2.gz QSWWECUQOGFMRP-UHFFFAOYSA-N 0 0 249.788 3.504 20 10 BHCDRN Clc1cnc(SCC2CCC2)s1 ZINC000850000043 588513447 /nfs/dbraw/zinc/51/34/47/588513447.db2.gz HONGNPLSAKEOER-UHFFFAOYSA-N 0 0 219.762 3.689 20 10 BHCDRN FCCCCSc1ncc(Cl)s1 ZINC000850000156 588513575 /nfs/dbraw/zinc/51/35/75/588513575.db2.gz LDEWHOIFYCHNOS-UHFFFAOYSA-N 0 0 225.741 3.638 20 10 BHCDRN CC[C@@H](C)Sc1ncc(Cl)s1 ZINC000850000193 588513545 /nfs/dbraw/zinc/51/35/45/588513545.db2.gz LXWDCJSYISRWTN-RXMQYKEDSA-N 0 0 207.751 3.687 20 10 BHCDRN CC[C@H](C)Sc1ncc(Cl)s1 ZINC000850000194 588513625 /nfs/dbraw/zinc/51/36/25/588513625.db2.gz LXWDCJSYISRWTN-YFKPBYRVSA-N 0 0 207.751 3.687 20 10 BHCDRN CCSCSc1ncc(Cl)s1 ZINC000850000217 588512815 /nfs/dbraw/zinc/51/28/15/588512815.db2.gz MNZJAGUELAFXSH-UHFFFAOYSA-N 0 0 225.791 3.599 20 10 BHCDRN Clc1cnc(SCCC2CC2)s1 ZINC000850000301 588513539 /nfs/dbraw/zinc/51/35/39/588513539.db2.gz PUROPLGMFDBLCX-UHFFFAOYSA-N 0 0 219.762 3.689 20 10 BHCDRN C[C@@H](Sc1ncc(Cl)s1)C(F)(F)F ZINC000850000417 588513479 /nfs/dbraw/zinc/51/34/79/588513479.db2.gz UJPRBLYLODSBPL-GSVOUGTGSA-N 0 0 247.694 3.839 20 10 BHCDRN C[C@H](Sc1ncc(Cl)s1)C(F)(F)F ZINC000850000418 588513518 /nfs/dbraw/zinc/51/35/18/588513518.db2.gz UJPRBLYLODSBPL-VKHMYHEASA-N 0 0 247.694 3.839 20 10 BHCDRN CCC(=O)CCCSc1ncc(Cl)s1 ZINC000850000474 588513698 /nfs/dbraw/zinc/51/36/98/588513698.db2.gz WGTOUXNGXBEGMP-UHFFFAOYSA-N 0 0 249.788 3.648 20 10 BHCDRN Clc1cnc(SCOC2CCCC2)s1 ZINC000850000554 588513432 /nfs/dbraw/zinc/51/34/32/588513432.db2.gz ZBRQDKROPWTWSK-UHFFFAOYSA-N 0 0 249.788 3.805 20 10 BHCDRN CC[C@H](C)C(=O)CSc1ncc(Cl)s1 ZINC000850000585 588513456 /nfs/dbraw/zinc/51/34/56/588513456.db2.gz ZTAGULJZNNADIC-LURJTMIESA-N 0 0 249.788 3.504 20 10 BHCDRN CC[C@@H](C)C(=O)CSc1ncc(Cl)s1 ZINC000850000586 588513030 /nfs/dbraw/zinc/51/30/30/588513030.db2.gz ZTAGULJZNNADIC-ZCFIWIBFSA-N 0 0 249.788 3.504 20 10 BHCDRN CC(=O)[C@@H](C)CCSc1ncc(Cl)s1 ZINC000850001255 588513521 /nfs/dbraw/zinc/51/35/21/588513521.db2.gz DIDVYHCGXKNEAR-LURJTMIESA-N 0 0 249.788 3.504 20 10 BHCDRN CC(=O)[C@H](C)CCSc1ncc(Cl)s1 ZINC000850001256 588513556 /nfs/dbraw/zinc/51/35/56/588513556.db2.gz DIDVYHCGXKNEAR-ZCFIWIBFSA-N 0 0 249.788 3.504 20 10 BHCDRN CC(=O)[C@H](Sc1ncc(Cl)s1)C(C)C ZINC000850001909 588513838 /nfs/dbraw/zinc/51/38/38/588513838.db2.gz OSZLKMMWQWBSPT-MRVPVSSYSA-N 0 0 249.788 3.502 20 10 BHCDRN CC(=O)[C@@H](Sc1ncc(Cl)s1)C(C)C ZINC000850001910 588513907 /nfs/dbraw/zinc/51/39/07/588513907.db2.gz OSZLKMMWQWBSPT-QMMMGPOBSA-N 0 0 249.788 3.502 20 10 BHCDRN Cc1ccc(O)c([C@H](C)[NH2+][C@]2(C)CC2(C)C)c1 ZINC000850557927 582930170 /nfs/dbraw/zinc/93/01/70/582930170.db2.gz XYLFZEPSKODAIQ-XHDPSFHLSA-N 0 0 233.355 3.540 20 10 BHCDRN CC[C@H]([NH2+]CC1=CCCC1)c1ccc(F)cc1[O-] ZINC000850558434 588560900 /nfs/dbraw/zinc/56/09/00/588560900.db2.gz WUEZPAVTNSFBNH-AWEZNQCLSA-N 0 0 249.329 3.682 20 10 BHCDRN CC[C@@H]([NH2+]CC1=CCCC1)c1ccc(F)cc1[O-] ZINC000850558435 588560914 /nfs/dbraw/zinc/56/09/14/588560914.db2.gz WUEZPAVTNSFBNH-CQSZACIVSA-N 0 0 249.329 3.682 20 10 BHCDRN CCCC[C@H](C(=O)Nc1ccc(N)cc1)C(C)C ZINC000856994831 588881677 /nfs/dbraw/zinc/88/16/77/588881677.db2.gz PEHRONKMMZMZER-AWEZNQCLSA-N 0 0 248.370 3.670 20 10 BHCDRN CCCC[C@@H](C(=O)Nc1ccc(N)cc1)C(C)C ZINC000856994832 588881658 /nfs/dbraw/zinc/88/16/58/588881658.db2.gz PEHRONKMMZMZER-CQSZACIVSA-N 0 0 248.370 3.670 20 10 BHCDRN C/C=C\C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000858537782 582462729 /nfs/dbraw/zinc/46/27/29/582462729.db2.gz QBKZSFRBRBIRMK-FHMRSRPSSA-N 0 0 239.746 3.662 20 10 BHCDRN C/C=C\C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000858537783 582462499 /nfs/dbraw/zinc/46/24/99/582462499.db2.gz QBKZSFRBRBIRMK-KTLBGCOUSA-N 0 0 239.746 3.662 20 10 BHCDRN C/C=C/C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000858537784 582462577 /nfs/dbraw/zinc/46/25/77/582462577.db2.gz QBKZSFRBRBIRMK-OGOUPESXSA-N 0 0 239.746 3.662 20 10 BHCDRN C/C=C/C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000858537785 582462718 /nfs/dbraw/zinc/46/27/18/582462718.db2.gz QBKZSFRBRBIRMK-PYEVWLCESA-N 0 0 239.746 3.662 20 10 BHCDRN CCCOCSc1ncc(C(C)(C)C)s1 ZINC000863314361 589278440 /nfs/dbraw/zinc/27/84/40/589278440.db2.gz HIRQHEQPHPOSAI-UHFFFAOYSA-N 0 0 245.413 3.917 20 10 BHCDRN CC(C)SCSc1ncc(Cl)s1 ZINC000863347954 589281514 /nfs/dbraw/zinc/28/15/14/589281514.db2.gz LDVVHKXJTIOXPH-UHFFFAOYSA-N 0 0 239.818 3.988 20 10 BHCDRN C[C@H]1C[C@@H]1CSc1ncc(Cl)s1 ZINC000863348374 589281150 /nfs/dbraw/zinc/28/11/50/589281150.db2.gz SQHPVTGPXRGPIL-NTSWFWBYSA-N 0 0 219.762 3.545 20 10 BHCDRN C[C@@H]1C[C@@H]1CSc1ncc(Cl)s1 ZINC000863348375 589281288 /nfs/dbraw/zinc/28/12/88/589281288.db2.gz SQHPVTGPXRGPIL-PHDIDXHHSA-N 0 0 219.762 3.545 20 10 BHCDRN C[C@@H]1C[C@H]1CSc1ncc(Cl)s1 ZINC000863348376 589281317 /nfs/dbraw/zinc/28/13/17/589281317.db2.gz SQHPVTGPXRGPIL-RITPCOANSA-N 0 0 219.762 3.545 20 10 BHCDRN C[C@H]1C[C@H]1CSc1ncc(Cl)s1 ZINC000863348377 589281295 /nfs/dbraw/zinc/28/12/95/589281295.db2.gz SQHPVTGPXRGPIL-WDSKDSINSA-N 0 0 219.762 3.545 20 10 BHCDRN Cc1cc(CN(C)c2ccc(N)cc2)c(C)s1 ZINC000863557572 589298879 /nfs/dbraw/zinc/29/88/79/589298879.db2.gz QAAKSUDXBWZTHE-UHFFFAOYSA-N 0 0 246.379 3.584 20 10 BHCDRN c1csc(SCOC2CCCCC2)n1 ZINC000865352075 589424108 /nfs/dbraw/zinc/42/41/08/589424108.db2.gz AMSFLTABQNDRBI-UHFFFAOYSA-N 0 0 229.370 3.542 20 10 BHCDRN CCCCC(=O)CSc1ncc(Cl)s1 ZINC000865371870 589427859 /nfs/dbraw/zinc/42/78/59/589427859.db2.gz IDTVQLIQIQTZKQ-UHFFFAOYSA-N 0 0 249.788 3.648 20 10 BHCDRN CC(C)COCSc1ncc(Cl)s1 ZINC000865372102 589427656 /nfs/dbraw/zinc/42/76/56/589427656.db2.gz MKPSCFMWLXMRRX-UHFFFAOYSA-N 0 0 237.777 3.519 20 10 BHCDRN CCc1csc(N[C@H](C)c2ccccc2O)n1 ZINC000866238658 589481907 /nfs/dbraw/zinc/48/19/07/589481907.db2.gz QJNHYJOGNZPMAW-SECBINFHSA-N 0 0 248.351 3.584 20 10 BHCDRN CCc1csc(N[C@@H](C)c2ccccc2O)n1 ZINC000866238865 589482138 /nfs/dbraw/zinc/48/21/38/589482138.db2.gz QJNHYJOGNZPMAW-VIFPVBQESA-N 0 0 248.351 3.584 20 10 BHCDRN CC(C)(C)SCSc1nccs1 ZINC000871649674 589781952 /nfs/dbraw/zinc/78/19/52/589781952.db2.gz ITVYAALCCYONDE-UHFFFAOYSA-N 0 0 219.400 3.724 20 10 BHCDRN CC(C)Nc1ccccc1NCc1cncs1 ZINC000871845530 589824573 /nfs/dbraw/zinc/82/45/73/589824573.db2.gz ALRDYRKCJAXSTD-UHFFFAOYSA-N 0 0 247.367 3.576 20 10 BHCDRN CC(C)Nc1ccccc1NCCC(F)(F)F ZINC000871845616 589824101 /nfs/dbraw/zinc/82/41/01/589824101.db2.gz CSAQSWYYJQLUSJ-UHFFFAOYSA-N 0 0 246.276 3.871 20 10 BHCDRN CC(C)CNc1ccccc1NC(C)C ZINC000871845839 589824542 /nfs/dbraw/zinc/82/45/42/589824542.db2.gz KXURHHGEDNUBHL-UHFFFAOYSA-N 0 0 206.333 3.575 20 10 BHCDRN CC(C)Nc1ccccc1NCc1nccs1 ZINC000871846085 589824259 /nfs/dbraw/zinc/82/42/59/589824259.db2.gz QGTORGMFDDBUTH-UHFFFAOYSA-N 0 0 247.367 3.576 20 10 BHCDRN CC(C)Nc1ccccc1NCCCCF ZINC000871846325 589824130 /nfs/dbraw/zinc/82/41/30/589824130.db2.gz WMYDTGNTXSOCOA-UHFFFAOYSA-N 0 0 224.323 3.669 20 10 BHCDRN CC(C)Nc1ccccc1NC[C@@H]1C[C@H]1C ZINC000871846613 589824301 /nfs/dbraw/zinc/82/43/01/589824301.db2.gz UJNGJTVROGZTAQ-NEPJUHHUSA-N 0 0 218.344 3.575 20 10 BHCDRN CC(C)Nc1ccccc1NC[C@H]1C[C@@H]1C ZINC000871846614 589824402 /nfs/dbraw/zinc/82/44/02/589824402.db2.gz UJNGJTVROGZTAQ-NWDGAFQWSA-N 0 0 218.344 3.575 20 10 BHCDRN CC(C)Nc1ccccc1NC[C@@H]1C[C@@H]1C ZINC000871846615 589824558 /nfs/dbraw/zinc/82/45/58/589824558.db2.gz UJNGJTVROGZTAQ-RYUDHWBXSA-N 0 0 218.344 3.575 20 10 BHCDRN CC(C)Nc1ccccc1NC[C@H]1C[C@H]1C ZINC000871846616 589823347 /nfs/dbraw/zinc/82/33/47/589823347.db2.gz UJNGJTVROGZTAQ-VXGBXAGGSA-N 0 0 218.344 3.575 20 10 BHCDRN CC1(C)CCC[C@H](CSc2nccs2)O1 ZINC000882109340 591299425 /nfs/dbraw/zinc/29/94/25/591299425.db2.gz HXSDEMFUSDNDNC-SECBINFHSA-N 0 0 243.397 3.583 20 10 BHCDRN CC1(C)CCC[C@@H](CSc2nccs2)O1 ZINC000882109347 591299094 /nfs/dbraw/zinc/29/90/94/591299094.db2.gz HXSDEMFUSDNDNC-VIFPVBQESA-N 0 0 243.397 3.583 20 10 BHCDRN Cc1cc(N[C@H](C)c2ccccc2O)cnc1C ZINC000883342293 591621275 /nfs/dbraw/zinc/62/12/75/591621275.db2.gz RLOBRNMKMFPAQH-GFCCVEGCSA-N 0 0 242.322 3.577 20 10 BHCDRN Cc1cc(N[C@@H](C)c2ccccc2O)cnc1C ZINC000883342294 591621365 /nfs/dbraw/zinc/62/13/65/591621365.db2.gz RLOBRNMKMFPAQH-LBPRGKRZSA-N 0 0 242.322 3.577 20 10 BHCDRN C[C@H]([NH2+]C1(C2CCC2)CC1)c1c([O-])cccc1F ZINC000886631513 592282151 /nfs/dbraw/zinc/28/21/51/592282151.db2.gz OWAXISGJIMEYJJ-JTQLQIEISA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@@H]([NH2+]C1(C2CCC2)CC1)c1c([O-])cccc1F ZINC000886631514 592282994 /nfs/dbraw/zinc/28/29/94/592282994.db2.gz OWAXISGJIMEYJJ-SNVBAGLBSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@H]([NH2+]C1CC2(CCC2)C1)c1c([O-])cccc1F ZINC000886632654 592282938 /nfs/dbraw/zinc/28/29/38/592282938.db2.gz ALFIPMUFUZPORN-JTQLQIEISA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@@H]([NH2+]C1CC2(CCC2)C1)c1c([O-])cccc1F ZINC000886632655 592282360 /nfs/dbraw/zinc/28/23/60/592282360.db2.gz ALFIPMUFUZPORN-SNVBAGLBSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@H]([NH2+][C@H]1CCCC12CC2)c1c([O-])cccc1F ZINC000886644443 592287959 /nfs/dbraw/zinc/28/79/59/592287959.db2.gz CXYUEVGRIKDVHE-GWCFXTLKSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@H]([NH2+][C@@H]1CCCC12CC2)c1c([O-])cccc1F ZINC000886644444 592287833 /nfs/dbraw/zinc/28/78/33/592287833.db2.gz CXYUEVGRIKDVHE-GXFFZTMASA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@@H]([NH2+][C@H]1CCCC12CC2)c1c([O-])cccc1F ZINC000886644445 592287849 /nfs/dbraw/zinc/28/78/49/592287849.db2.gz CXYUEVGRIKDVHE-MFKMUULPSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1c([O-])cccc1F ZINC000886644446 592286975 /nfs/dbraw/zinc/28/69/75/592286975.db2.gz CXYUEVGRIKDVHE-ZWNOBZJWSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@H]([NH2+]C1(C2CC2)CCC1)c1c([O-])cccc1F ZINC000886824527 592346811 /nfs/dbraw/zinc/34/68/11/592346811.db2.gz BATLCBZEQLHYTK-JTQLQIEISA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@@H]([NH2+]C1(C2CC2)CCC1)c1c([O-])cccc1F ZINC000886824528 592347377 /nfs/dbraw/zinc/34/73/77/592347377.db2.gz BATLCBZEQLHYTK-SNVBAGLBSA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@H]([NH2+]C1(C2CC2)CCC1)c1ccc(F)cc1[O-] ZINC000886825198 592349011 /nfs/dbraw/zinc/34/90/11/592349011.db2.gz OLYJFQPRSYKANN-JTQLQIEISA-N 0 0 249.329 3.515 20 10 BHCDRN C[C@@H]([NH2+]C1(C2CC2)CCC1)c1ccc(F)cc1[O-] ZINC000886825199 592348784 /nfs/dbraw/zinc/34/87/84/592348784.db2.gz OLYJFQPRSYKANN-SNVBAGLBSA-N 0 0 249.329 3.515 20 10 BHCDRN FC1(F)CCC(Sc2nccs2)CC1 ZINC000897539048 584010832 /nfs/dbraw/zinc/01/08/32/584010832.db2.gz LAJGOWWNZAWIEF-UHFFFAOYSA-N 0 0 235.324 3.813 20 10 BHCDRN CC(C)c1cncc(NCc2ccccc2O)c1 ZINC000897707031 584041543 /nfs/dbraw/zinc/04/15/43/584041543.db2.gz FWOOHSCZFRCYJZ-UHFFFAOYSA-N 0 0 242.322 3.523 20 10 BHCDRN CO[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000901509720 584456719 /nfs/dbraw/zinc/45/67/19/584456719.db2.gz PXLGSARUETUWGC-SSDOTTSWSA-N 0 0 231.386 3.525 20 10 BHCDRN CO[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000901509727 584456725 /nfs/dbraw/zinc/45/67/25/584456725.db2.gz PXLGSARUETUWGC-ZETCQYMHSA-N 0 0 231.386 3.525 20 10 BHCDRN CCO[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000901509887 584456637 /nfs/dbraw/zinc/45/66/37/584456637.db2.gz SQAZAYAITZQWFV-MRVPVSSYSA-N 0 0 245.413 3.915 20 10 BHCDRN CCO[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000901509888 584456912 /nfs/dbraw/zinc/45/69/12/584456912.db2.gz SQAZAYAITZQWFV-QMMMGPOBSA-N 0 0 245.413 3.915 20 10 BHCDRN CC(C)Nc1ccccc1NCc1cccnc1 ZINC000902105898 584523649 /nfs/dbraw/zinc/52/36/49/584523649.db2.gz ORNAAEOOPOHYHT-UHFFFAOYSA-N 0 0 241.338 3.514 20 10 BHCDRN CC(C)Nc1ccccc1NCc1ccccn1 ZINC000905109008 637615704 /nfs/dbraw/zinc/61/57/04/637615704.db2.gz WDGALAYLZANXCE-UHFFFAOYSA-N 0 0 241.338 3.514 20 10 BHCDRN Cn1ccc2ccc(-c3cnc(C4CC4)o3)cc21 ZINC000906181449 638089878 /nfs/dbraw/zinc/08/98/78/638089878.db2.gz LGCRLUVLZVRMRB-UHFFFAOYSA-N 0 0 238.290 3.711 20 10 BHCDRN CC(C)(C)CC(C)(C)C(=O)Nc1ccc(N)cc1 ZINC000911660270 639693533 /nfs/dbraw/zinc/69/35/33/639693533.db2.gz JJVQMCBGYSAUJG-UHFFFAOYSA-N 0 0 248.370 3.670 20 10 BHCDRN CCN(CC)c1ccc(OC2CCCC2)cc1 ZINC000915261255 641813352 /nfs/dbraw/zinc/81/33/52/641813352.db2.gz IRVVTCJPRFDCPO-UHFFFAOYSA-N 0 0 233.355 3.854 20 10 BHCDRN CC(C)(CSc1nccs1)CC(F)F ZINC000916758989 641975377 /nfs/dbraw/zinc/97/53/77/641975377.db2.gz CFHDAAATVLLDNI-UHFFFAOYSA-N 0 0 237.340 3.917 20 10 BHCDRN c1csc(SC2CC3(CCC3)C2)n1 ZINC000916759210 641975027 /nfs/dbraw/zinc/97/50/27/641975027.db2.gz GGSREJFIWDZRKH-UHFFFAOYSA-N 0 0 211.355 3.568 20 10 BHCDRN CC(F)(F)CCCSc1nccs1 ZINC000916759419 641975456 /nfs/dbraw/zinc/97/54/56/641975456.db2.gz MTKQUZFSMHRCII-UHFFFAOYSA-N 0 0 223.313 3.671 20 10 BHCDRN c1csc(SCCOC2CCCCC2)n1 ZINC000916759424 641975069 /nfs/dbraw/zinc/97/50/69/641975069.db2.gz MYUQTICEFGXQQR-UHFFFAOYSA-N 0 0 243.397 3.585 20 10 BHCDRN FC1(F)[C@@H]2C[C@@H](CSc3nccs3)C[C@@H]21 ZINC000916759850 641975548 /nfs/dbraw/zinc/97/55/48/641975548.db2.gz UGXCNBNVFLSYEJ-WHUPJOBBSA-N 0 0 247.335 3.527 20 10 BHCDRN Fc1cc(F)c(Sc2nccs2)c(F)c1 ZINC000917390156 642057779 /nfs/dbraw/zinc/05/77/79/642057779.db2.gz BNNJCVYEPOSYDP-UHFFFAOYSA-N 0 0 247.266 3.712 20 10 BHCDRN Cc1ccc(CSc2nccs2)cc1 ZINC000919675432 642373537 /nfs/dbraw/zinc/37/35/37/642373537.db2.gz HTUOVPFCILEYPW-UHFFFAOYSA-N 0 0 221.350 3.744 20 10 BHCDRN c1csc(SCCCc2ccccc2)n1 ZINC000919675489 642374055 /nfs/dbraw/zinc/37/40/55/642374055.db2.gz MSUMRPPULVLPCD-UHFFFAOYSA-N 0 0 235.377 3.868 20 10 BHCDRN Cc1cccc(CSc2nccs2)c1 ZINC000919675718 642373312 /nfs/dbraw/zinc/37/33/12/642373312.db2.gz XJSBUGGZTCFTET-UHFFFAOYSA-N 0 0 221.350 3.744 20 10 BHCDRN CC(=O)[C@@H](Sc1nccs1)c1ccccc1 ZINC000919675719 642374034 /nfs/dbraw/zinc/37/40/34/642374034.db2.gz XSRKYJITCOZIER-LLVKDONJSA-N 0 0 249.360 3.566 20 10 BHCDRN CC(=O)[C@H](Sc1nccs1)c1ccccc1 ZINC000919675722 642373455 /nfs/dbraw/zinc/37/34/55/642373455.db2.gz XSRKYJITCOZIER-NSHDSACASA-N 0 0 249.360 3.566 20 10 BHCDRN C(=C\c1ccccc1)\CSc1nccs1 ZINC000919675726 642374455 /nfs/dbraw/zinc/37/44/55/642374455.db2.gz XVTFIVIHKDTREK-DAXSKMNVSA-N 0 0 233.361 3.949 20 10 BHCDRN c1csc(Sc2ccc3c(c2)CCC3)n1 ZINC000920960809 642565080 /nfs/dbraw/zinc/56/50/80/642565080.db2.gz KZJQNAGMEVHZBX-UHFFFAOYSA-N 0 0 233.361 3.783 20 10 BHCDRN Cc1ccc(Sc2nccs2)c(C)c1 ZINC000920963713 642567270 /nfs/dbraw/zinc/56/72/70/642567270.db2.gz KEBZCJSYWVLOAQ-UHFFFAOYSA-N 0 0 221.350 3.911 20 10 BHCDRN Cc1ccc(C)c(Sc2nccs2)c1 ZINC000920964242 642567821 /nfs/dbraw/zinc/56/78/21/642567821.db2.gz OSPXBEOWASKHAP-UHFFFAOYSA-N 0 0 221.350 3.911 20 10 BHCDRN Cc1ccc(Sc2nccs2)cc1C ZINC000920964587 642567143 /nfs/dbraw/zinc/56/71/43/642567143.db2.gz YOCFMPREBFLSPJ-UHFFFAOYSA-N 0 0 221.350 3.911 20 10 BHCDRN CC(C)c1ccc(NCc2ccccc2O)cn1 ZINC000922586984 644035628 /nfs/dbraw/zinc/03/56/28/644035628.db2.gz LGGIQDQKRNFSCR-UHFFFAOYSA-N 0 0 242.322 3.523 20 10 BHCDRN