smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C[N@@H+]2CCc3ccsc3C2)cc(Cl)c1O ZINC000459353232 339023851 /nfs/dbraw/zinc/02/38/51/339023851.db2.gz REXRWTDOVCZFNO-UHFFFAOYSA-N -1 2 323.845 4.064 20 0 DIADLM CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)c1cc(O)cc(F)c1)CCC2 ZINC000926181473 1043539608 /nfs/dbraw/zinc/53/96/08/1043539608.db2.gz CJEKXCSORDVVHJ-SJKOYZFVSA-N -1 2 317.408 4.037 20 0 DIADLM Cc1cccc(C[N@@H+](Cc2ccc(O)c(F)c2F)C2CC2)c1C ZINC001140895366 1046946145 /nfs/dbraw/zinc/94/61/45/1046946145.db2.gz PECWXDZCAYCSCJ-UHFFFAOYSA-N -1 2 317.379 4.452 20 0 DIADLM [S-]c1cc(S)cc(NCc2ccccc2-n2cccn2)c1 ZINC001168974334 1051483229 /nfs/dbraw/zinc/48/32/29/1051483229.db2.gz NRJLRXHSIOUDBY-UHFFFAOYSA-N -1 2 313.451 4.062 20 0 DIADLM Oc1ccc(F)c(C[N@@H+](Cc2ccccc2)C2CCC2)c1F ZINC001233397290 1054260531 /nfs/dbraw/zinc/26/05/31/1054260531.db2.gz SEIRSMGHZMTJGI-UHFFFAOYSA-N -1 2 303.352 4.225 20 0 DIADLM CC(C)(C)[N@@H+](Cc1ccccc1)Cc1c(F)ccc(O)c1F ZINC001233393107 1054261290 /nfs/dbraw/zinc/26/12/90/1054261290.db2.gz BKLGCVMLCALYCQ-UHFFFAOYSA-N -1 2 305.368 4.471 20 0 DIADLM COc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)c(O)c(F)c2)c1 ZINC001140991153 1046971171 /nfs/dbraw/zinc/97/11/71/1046971171.db2.gz ZSUPVWOQBLRLRU-QGZVFWFLSA-N -1 2 319.351 4.016 20 0 DIADLM CCN(C)C(=O)c1cccc(-c2cc([S-])cc(S)c2)c1 ZINC001206511363 1049748416 /nfs/dbraw/zinc/74/84/16/1049748416.db2.gz HKAQCMHKIFZUDL-UHFFFAOYSA-N -1 2 303.452 4.023 20 0 DIADLM CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c(F)ccc(O)c1F ZINC001233396477 1054260606 /nfs/dbraw/zinc/26/06/06/1054260606.db2.gz FIOCQZHRIKSAKK-INIZCTEOSA-N -1 2 303.352 4.180 20 0 DIADLM COc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C)c(Cl)c1O ZINC001233397857 1054261455 /nfs/dbraw/zinc/26/14/55/1054261455.db2.gz ODERXYUKLFHHEA-GFCCVEGCSA-N -1 2 317.816 4.174 20 0 DIADLM CCCCC[C@H](CCC)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234332217 1054503796 /nfs/dbraw/zinc/50/37/96/1054503796.db2.gz NKHJZGRWEBGLHM-ZDUSSCGKSA-N -1 2 316.334 4.286 20 0 DIADLM CCCCC[C@H](CCC)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234332217 1054503781 /nfs/dbraw/zinc/50/37/81/1054503781.db2.gz NKHJZGRWEBGLHM-ZDUSSCGKSA-N -1 2 316.334 4.286 20 0 DIADLM Oc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC001237284017 1055416202 /nfs/dbraw/zinc/41/62/02/1055416202.db2.gz QZBNFSROFIJWOY-KRWDZBQOSA-N -1 2 307.315 4.147 20 0 DIADLM COc1ccc([C@H](C)[N@H+](C)Cc2cc(F)c(O)c(Cl)c2)cc1 ZINC001237994084 1055575703 /nfs/dbraw/zinc/57/57/03/1055575703.db2.gz BSOYFJTZYXRKIS-NSHDSACASA-N -1 2 323.795 4.386 20 0 DIADLM Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1Cl ZINC000508968460 340256545 /nfs/dbraw/zinc/25/65/45/340256545.db2.gz QMXJWGGDRQRYMU-HNNXBMFYSA-N -1 2 304.821 4.111 20 0 DIADLM CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H](C)c1cc(O)cc(F)c1)CCC2 ZINC000926181709 1043539468 /nfs/dbraw/zinc/53/94/68/1043539468.db2.gz CJEKXCSORDVVHJ-YVEFUNNKSA-N -1 2 317.408 4.037 20 0 DIADLM Oc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c(F)c1F ZINC001140889687 1046942730 /nfs/dbraw/zinc/94/27/30/1046942730.db2.gz JPGYOXJJDPCFRI-AWEZNQCLSA-N -1 2 307.315 4.147 20 0 DIADLM Oc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c(F)c1F ZINC001140892453 1046943640 /nfs/dbraw/zinc/94/36/40/1046943640.db2.gz NWJCNRHNKINSKO-CQSZACIVSA-N -1 2 307.315 4.147 20 0 DIADLM COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(O)c1F ZINC001232935570 1054149518 /nfs/dbraw/zinc/14/95/18/1054149518.db2.gz UCZLVKOFNBWLSQ-HNNXBMFYSA-N -1 2 319.351 4.016 20 0 DIADLM COc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C)c(Cl)c1O ZINC001233397858 1054258489 /nfs/dbraw/zinc/25/84/89/1054258489.db2.gz ODERXYUKLFHHEA-LBPRGKRZSA-N -1 2 317.816 4.174 20 0 DIADLM CCCCC[C@@H](CCC)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234332213 1054502681 /nfs/dbraw/zinc/50/26/81/1054502681.db2.gz NKHJZGRWEBGLHM-CYBMUJFWSA-N -1 2 316.334 4.286 20 0 DIADLM CCCCC[C@@H](CCC)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234332213 1054502698 /nfs/dbraw/zinc/50/26/98/1054502698.db2.gz NKHJZGRWEBGLHM-CYBMUJFWSA-N -1 2 316.334 4.286 20 0 DIADLM CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(F)c(O)c1 ZINC001236708755 1055238590 /nfs/dbraw/zinc/23/85/90/1055238590.db2.gz SWFKTZKNSCDBOE-QGZVFWFLSA-N -1 2 315.388 4.015 20 0 DIADLM Oc1c(F)cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1Cl ZINC001237990428 1055578317 /nfs/dbraw/zinc/57/83/17/1055578317.db2.gz SLIJWUXPUWWWMB-CQSZACIVSA-N -1 2 319.807 4.249 20 0 DIADLM CC[N@H+](Cc1cccc(F)c1)Cc1cc(F)c(O)c(Cl)c1 ZINC001237992271 1055578466 /nfs/dbraw/zinc/57/84/66/1055578466.db2.gz IYFFVLCIVQBLKF-UHFFFAOYSA-N -1 2 311.759 4.346 20 0 DIADLM Oc1ccc(CN2CC[C@@H](c3ccccc3Cl)C2)c(F)c1F ZINC001140892876 1046942572 /nfs/dbraw/zinc/94/25/72/1046942572.db2.gz CEXXTLAOLUTWND-LLVKDONJSA-N -1 2 323.770 4.313 20 0 DIADLM Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2F)c(F)c1F ZINC001140894387 1046946808 /nfs/dbraw/zinc/94/68/08/1046946808.db2.gz WIIKYXIITIDUEF-AWEZNQCLSA-N -1 2 307.315 4.147 20 0 DIADLM Cn1ccc2cc(CNc3cc([S-])cc(S)c3)ccc21 ZINC001162172505 1048237427 /nfs/dbraw/zinc/23/74/27/1048237427.db2.gz GFSJWZZSCWUNGL-UHFFFAOYSA-N -1 2 300.452 4.368 20 0 DIADLM COc1cc(Nc2cc(C)c(C(=O)[O-])c(C)c2)ccc1S ZINC001216312265 1051689968 /nfs/dbraw/zinc/68/99/68/1051689968.db2.gz JLMABYICHXIFLP-UHFFFAOYSA-N -1 2 303.383 4.043 20 0 DIADLM Oc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1C(F)(F)F ZINC001231522804 1053777107 /nfs/dbraw/zinc/77/71/07/1053777107.db2.gz KVVIQUNHCCXGSI-OAHLLOKOSA-N -1 2 307.315 4.358 20 0 DIADLM CCCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(O)c1F ZINC001232935092 1054148765 /nfs/dbraw/zinc/14/87/65/1054148765.db2.gz GBLMXVQFEWDVJH-UHFFFAOYSA-N -1 2 305.368 4.473 20 0 DIADLM Oc1ccc(F)c(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1F ZINC001233396089 1054261634 /nfs/dbraw/zinc/26/16/34/1054261634.db2.gz JJHXCMNESQIDBN-GFCCVEGCSA-N -1 2 323.770 4.313 20 0 DIADLM COc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c(Cl)c1O ZINC001233400898 1054261807 /nfs/dbraw/zinc/26/18/07/1054261807.db2.gz CWLIQZHJBQRGMC-CQSZACIVSA-N -1 2 303.789 4.001 20 0 DIADLM CCc1ccc(C[N@H+](C)Cc2cc(F)c(O)c(Cl)c2)cc1 ZINC001237994208 1055576707 /nfs/dbraw/zinc/57/67/07/1055576707.db2.gz CWVMAYLWNHOVTC-UHFFFAOYSA-N -1 2 307.796 4.379 20 0 DIADLM CN(C)C(=O)Nc1ccc(-c2cc([S-])cc(S)c2)cc1 ZINC001242638717 1057431646 /nfs/dbraw/zinc/43/16/46/1057431646.db2.gz NRSJVLVMAKNGMV-UHFFFAOYSA-N -1 2 304.440 4.025 20 0 DIADLM Cc1ccc(C[N@H+](Cc2ccc(O)c(F)c2F)C2CC2)cc1C ZINC001474317741 1061892653 /nfs/dbraw/zinc/89/26/53/1061892653.db2.gz OEILPKPPMSPHFU-UHFFFAOYSA-N -1 2 317.379 4.452 20 0 DIADLM Cc1c2cc(F)ccc2oc1C[NH2+]Cc1c(F)ccc(O)c1F ZINC000352229858 336204377 /nfs/dbraw/zinc/20/43/77/336204377.db2.gz GOADOWHMYCISNL-UHFFFAOYSA-N -1 2 321.298 4.154 20 0 DIADLM C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc(O)c1Cl ZINC000512677203 340372597 /nfs/dbraw/zinc/37/25/97/340372597.db2.gz HTPKDTKFHQKYIZ-GXSJLCMTSA-N -1 2 307.743 4.208 20 0 DIADLM C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc(O)c1Cl ZINC000512677206 340372658 /nfs/dbraw/zinc/37/26/58/340372658.db2.gz HTPKDTKFHQKYIZ-KOLCDFICSA-N -1 2 307.743 4.208 20 0 DIADLM C[C@H]1C[N@@H+](Cc2c(Cl)cc(O)cc2Cl)CCC1(F)F ZINC001142105665 1045081317 /nfs/dbraw/zinc/08/13/17/1045081317.db2.gz JJKMKEYVVBBKGW-QMMMGPOBSA-N -1 2 310.171 4.176 20 0 DIADLM CC(C)c1csc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)n1 ZINC000191348077 1045681950 /nfs/dbraw/zinc/68/19/50/1045681950.db2.gz DKLZCOSVBKUZTK-UHFFFAOYSA-N -1 2 314.813 4.054 20 0 DIADLM Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(F)c1F ZINC001140889689 1046943367 /nfs/dbraw/zinc/94/33/67/1046943367.db2.gz JPGYOXJJDPCFRI-CQSZACIVSA-N -1 2 307.315 4.147 20 0 DIADLM Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)c(F)c1F ZINC001140894388 1046945460 /nfs/dbraw/zinc/94/54/60/1046945460.db2.gz WIIKYXIITIDUEF-CQSZACIVSA-N -1 2 307.315 4.147 20 0 DIADLM Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(O)c(F)c2F)cc1 ZINC001140894121 1046945921 /nfs/dbraw/zinc/94/59/21/1046945921.db2.gz RBKHGLQSCZXMLO-OAHLLOKOSA-N -1 2 303.352 4.316 20 0 DIADLM Oc1cc(Cl)c(C[N@H+]2CCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC001142105699 1047381840 /nfs/dbraw/zinc/38/18/40/1047381840.db2.gz KIDCQEQTIRIRIX-MRXNPFEDSA-N -1 2 323.223 4.431 20 0 DIADLM Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(O)c2F)c1 ZINC001232930919 1054149868 /nfs/dbraw/zinc/14/98/68/1054149868.db2.gz GRPOBKCVLIRXES-INIZCTEOSA-N -1 2 303.352 4.316 20 0 DIADLM Cc1ccc([C@H]2CCC[N@H+]2Cc2c(F)ccc(O)c2F)cc1 ZINC001233395619 1054259653 /nfs/dbraw/zinc/25/96/53/1054259653.db2.gz FQKZUPZLBBLKIR-MRXNPFEDSA-N -1 2 303.352 4.316 20 0 DIADLM Cc1ccc(C[N@@H+](C)Cc2cc(F)c(O)c(Cl)c2)cc1C ZINC001237993927 1055577284 /nfs/dbraw/zinc/57/72/84/1055577284.db2.gz WEYINLSJAASYAN-UHFFFAOYSA-N -1 2 307.796 4.434 20 0 DIADLM CCNC(=O)Nc1ccc(-c2cc([S-])cc(S)c2)cc1 ZINC001240580747 1056589584 /nfs/dbraw/zinc/58/95/84/1056589584.db2.gz ZYOKVSCIBDHDPI-UHFFFAOYSA-N -1 2 304.440 4.072 20 0 DIADLM Cc1ccccc1C[N@@H+](Cc1ccc(O)c(F)c1F)C1CC1 ZINC001462043714 1063898705 /nfs/dbraw/zinc/89/87/05/1063898705.db2.gz HCZIRFOZSNUTGY-UHFFFAOYSA-N -1 2 303.352 4.143 20 0 DIADLM Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cccc(O)c1Cl ZINC000508968463 340256429 /nfs/dbraw/zinc/25/64/29/340256429.db2.gz QMXJWGGDRQRYMU-OAHLLOKOSA-N -1 2 304.821 4.111 20 0 DIADLM CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H](C)c1cc(O)cc(F)c1)CCC2 ZINC000926181469 1043540110 /nfs/dbraw/zinc/54/01/10/1043540110.db2.gz CJEKXCSORDVVHJ-PXAZEXFGSA-N -1 2 317.408 4.037 20 0 DIADLM Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)c(F)c1F ZINC001140888361 1046942600 /nfs/dbraw/zinc/94/26/00/1046942600.db2.gz QKHREPUEOFZLLZ-UHFFFAOYSA-N -1 2 303.352 4.050 20 0 DIADLM Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(O)c(F)c2F)c1 ZINC001140889817 1046944463 /nfs/dbraw/zinc/94/44/63/1046944463.db2.gz LRHKAKBQCXPWPI-HNNXBMFYSA-N -1 2 303.352 4.316 20 0 DIADLM Oc1c(F)cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1F ZINC001140990905 1046971298 /nfs/dbraw/zinc/97/12/98/1046971298.db2.gz CHEARPHIVWBBLR-INIZCTEOSA-N -1 2 307.315 4.147 20 0 DIADLM COc1ccc(CCCNc2cc([S-])cc(S)c2)cc1 ZINC001164194406 1048602443 /nfs/dbraw/zinc/60/24/43/1048602443.db2.gz AGVZUWNYCCCCGM-UHFFFAOYSA-N -1 2 305.468 4.317 20 0 DIADLM COc1ccc2c(c1)C[C@H](Nc1cc([S-])cc(S)c1)CC2 ZINC001170412508 1051202720 /nfs/dbraw/zinc/20/27/20/1051202720.db2.gz GBSNVTLFIPKPLK-CYBMUJFWSA-N -1 2 317.479 4.242 20 0 DIADLM Oc1ccc(F)c(C[N@H+]2CCCC[C@@H]2c2ccccc2)c1F ZINC001233393465 1054259287 /nfs/dbraw/zinc/25/92/87/1054259287.db2.gz WDMKNEDSDGJLEI-MRXNPFEDSA-N -1 2 303.352 4.398 20 0 DIADLM CCCCC[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)C(C)C ZINC001234333166 1054504092 /nfs/dbraw/zinc/50/40/92/1054504092.db2.gz UBVMKGHTFLRWNT-OAHLLOKOSA-N -1 2 316.334 4.142 20 0 DIADLM CCCCC[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)C(C)C ZINC001234333166 1054504107 /nfs/dbraw/zinc/50/41/07/1054504107.db2.gz UBVMKGHTFLRWNT-OAHLLOKOSA-N -1 2 316.334 4.142 20 0 DIADLM C[N@H+](Cc1cc(O)cc(F)c1)Cc1ccc(Cl)cc1Cl ZINC001237285051 1055416034 /nfs/dbraw/zinc/41/60/34/1055416034.db2.gz MJJCIVXBPRQZNE-UHFFFAOYSA-N -1 2 314.187 4.470 20 0 DIADLM C[N@H+](C/C=C/c1ccccc1)Cc1cc(F)c(O)c(Cl)c1 ZINC001237994063 1055575913 /nfs/dbraw/zinc/57/59/13/1055575913.db2.gz BEEAWTCEMDXJSO-VMPITWQZSA-N -1 2 305.780 4.330 20 0 DIADLM Oc1c(F)cc(C[N@H+](Cc2ccccc2)C2CC2)cc1Cl ZINC001237992578 1055577384 /nfs/dbraw/zinc/57/73/84/1055577384.db2.gz MIFYYBGZAATBBA-UHFFFAOYSA-N -1 2 305.780 4.349 20 0 DIADLM C[N@H+](Cc1cccc(Cl)c1)Cc1cc(F)c(O)c(Cl)c1 ZINC001237990844 1055578122 /nfs/dbraw/zinc/57/81/22/1055578122.db2.gz ZJJAMXWISHMBAC-UHFFFAOYSA-N -1 2 314.187 4.470 20 0 DIADLM Oc1c(F)cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1F ZINC001140990906 1046971630 /nfs/dbraw/zinc/97/16/30/1046971630.db2.gz CHEARPHIVWBBLR-MRXNPFEDSA-N -1 2 307.315 4.147 20 0 DIADLM CC(C)(Nc1cc([S-])cc(S)c1)C(=O)c1ccccc1 ZINC001162639433 1048322083 /nfs/dbraw/zinc/32/20/83/1048322083.db2.gz CEBBCDNGXHQMMI-UHFFFAOYSA-N -1 2 303.452 4.337 20 0 DIADLM CCOc1cccc(CCNc2cc([S-])cc(S)c2)c1 ZINC001163713557 1048508946 /nfs/dbraw/zinc/50/89/46/1048508946.db2.gz AGSPZYRKBDWILX-UHFFFAOYSA-N -1 2 305.468 4.317 20 0 DIADLM C[N@@H+](Cc1cccc2ccccc21)Cc1c(F)ccc(O)c1F ZINC001233395803 1054258745 /nfs/dbraw/zinc/25/87/45/1054258745.db2.gz QVHIXMOLMRUECP-UHFFFAOYSA-N -1 2 313.347 4.456 20 0 DIADLM CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(OC)c(O)c1Cl ZINC001233400909 1054258864 /nfs/dbraw/zinc/25/88/64/1054258864.db2.gz DGIVSCIIPGILBH-UHFFFAOYSA-N -1 2 323.795 4.215 20 0 DIADLM Cc1ccc([C@@H]2CCC[N@H+]2Cc2c(F)ccc(O)c2F)cc1 ZINC001233395618 1054261093 /nfs/dbraw/zinc/26/10/93/1054261093.db2.gz FQKZUPZLBBLKIR-INIZCTEOSA-N -1 2 303.352 4.316 20 0 DIADLM Oc1c(Cl)cccc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000189691622 1045363014 /nfs/dbraw/zinc/36/30/14/1045363014.db2.gz LECKGTJCBQYBET-UHFFFAOYSA-N -1 2 300.160 4.128 20 0 DIADLM Oc1ccc(CN2CC[C@H](c3ccccc3Cl)C2)c(F)c1F ZINC001140892878 1046943603 /nfs/dbraw/zinc/94/36/03/1046943603.db2.gz CEXXTLAOLUTWND-NSHDSACASA-N -1 2 323.770 4.313 20 0 DIADLM Oc1ccc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c(F)c1F ZINC001140894060 1046946973 /nfs/dbraw/zinc/94/69/73/1046946973.db2.gz PIWLRGZREHUPHK-UHFFFAOYSA-N -1 2 321.342 4.189 20 0 DIADLM Oc1c(F)cc(C[N@@H+]2CCC[C@H]2c2ccccc2F)cc1F ZINC001140990903 1046970267 /nfs/dbraw/zinc/97/02/67/1046970267.db2.gz CHBGAEXEWLDTAS-INIZCTEOSA-N -1 2 307.315 4.147 20 0 DIADLM Oc1ccc(C[N@@H+]2CCc3sccc3C2)cc1C(F)(F)F ZINC001231522735 1053778392 /nfs/dbraw/zinc/77/83/92/1053778392.db2.gz JDUJPKWCMVFGRT-UHFFFAOYSA-N -1 2 313.344 4.031 20 0 DIADLM Oc1c(F)ccc(C[NH+]2CCC(c3ccccc3)CC2)c1F ZINC001232934780 1054149036 /nfs/dbraw/zinc/14/90/36/1054149036.db2.gz WBHQBHHFZHQMBB-UHFFFAOYSA-N -1 2 303.352 4.050 20 0 DIADLM Oc1c(F)ccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1F ZINC001232933714 1054149987 /nfs/dbraw/zinc/14/99/87/1054149987.db2.gz OKPLMVQACOBGSC-UHFFFAOYSA-N -1 2 317.379 4.125 20 0 DIADLM CCCCC(CCCC)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234333505 1054502888 /nfs/dbraw/zinc/50/28/88/1054502888.db2.gz WPGHVNKBGYOARY-UHFFFAOYSA-N -1 2 316.334 4.286 20 0 DIADLM CCCCC(CCCC)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234333505 1054502900 /nfs/dbraw/zinc/50/29/00/1054502900.db2.gz WPGHVNKBGYOARY-UHFFFAOYSA-N -1 2 316.334 4.286 20 0 DIADLM COc1ccc([C@@H](C)[N@H+](C)Cc2cc(F)c(O)c(Cl)c2)cc1 ZINC001237994082 1055575653 /nfs/dbraw/zinc/57/56/53/1055575653.db2.gz BSOYFJTZYXRKIS-LLVKDONJSA-N -1 2 323.795 4.386 20 0 DIADLM CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1ccc(O)c(F)c1F ZINC001140892414 1046943806 /nfs/dbraw/zinc/94/38/06/1046943806.db2.gz MEWRCFWZWNAKPR-UHFFFAOYSA-N -1 2 305.368 4.309 20 0 DIADLM COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(O)c(F)c1F ZINC001140894449 1046946216 /nfs/dbraw/zinc/94/62/16/1046946216.db2.gz YTTMNWOREMABOM-CQSZACIVSA-N -1 2 319.351 4.016 20 0 DIADLM Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)c(O)c(F)c2)cc1 ZINC001140989888 1046970747 /nfs/dbraw/zinc/97/07/47/1046970747.db2.gz FZQZJYRKDRZEOP-QGZVFWFLSA-N -1 2 303.352 4.316 20 0 DIADLM COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(O)c(F)c2)cc1 ZINC001140989933 1046971345 /nfs/dbraw/zinc/97/13/45/1046971345.db2.gz HCBPSNTZLVCANB-KRWDZBQOSA-N -1 2 319.351 4.016 20 0 DIADLM Oc1cc(Cl)c(C[N@H+]2CCCC(F)(F)CC2)c(Cl)c1 ZINC001142105560 1047380426 /nfs/dbraw/zinc/38/04/26/1047380426.db2.gz FRKISDSHBZKBFQ-UHFFFAOYSA-N -1 2 310.171 4.320 20 0 DIADLM CCCCCC[N@H+](Cc1ccco1)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC001198518337 1047971137 /nfs/dbraw/zinc/97/11/37/1047971137.db2.gz YGESDKIHJWSSET-HNNXBMFYSA-N -1 2 317.433 4.227 20 0 DIADLM Oc1c(F)ccc(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)c1F ZINC001232934991 1054148812 /nfs/dbraw/zinc/14/88/12/1054148812.db2.gz LQLNIOZHVTWOJS-NSHDSACASA-N -1 2 323.770 4.313 20 0 DIADLM Oc1c(F)ccc(C[N@H+]2CCCC[C@H]2c2ccccc2)c1F ZINC001232930707 1054151107 /nfs/dbraw/zinc/15/11/07/1054151107.db2.gz FBPNJXMSJQBDJJ-INIZCTEOSA-N -1 2 303.352 4.398 20 0 DIADLM Oc1ccc(F)c(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1F ZINC001233396090 1054258664 /nfs/dbraw/zinc/25/86/64/1054258664.db2.gz JJHXCMNESQIDBN-LBPRGKRZSA-N -1 2 323.770 4.313 20 0 DIADLM COc1ccc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c(Cl)c1O ZINC001233397928 1054258713 /nfs/dbraw/zinc/25/87/13/1054258713.db2.gz QTLHIKSWYDEZDL-GFCCVEGCSA-N -1 2 317.816 4.174 20 0 DIADLM Oc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)ccc1F ZINC001236707749 1055238123 /nfs/dbraw/zinc/23/81/23/1055238123.db2.gz KJESBPJFBRQNNK-MRXNPFEDSA-N -1 2 307.315 4.147 20 0 DIADLM Oc1cc(F)cc(C[N@H+](Cc2ccccc2)Cc2ccccn2)c1 ZINC001237285559 1055415105 /nfs/dbraw/zinc/41/51/05/1055415105.db2.gz VQYDGSCWWWVOIV-UHFFFAOYSA-N -1 2 322.383 4.129 20 0 DIADLM C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000186165099 337254018 /nfs/dbraw/zinc/25/40/18/337254018.db2.gz KRXBRVGANMLVTF-LLVKDONJSA-N -1 2 316.401 4.334 20 0 DIADLM CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nc(C)cs1 ZINC000190970303 1041720506 /nfs/dbraw/zinc/72/05/06/1041720506.db2.gz VNJZYTJAMGZGRI-NSHDSACASA-N -1 2 314.813 4.191 20 0 DIADLM Cc1ccc2c(Nc3ccc(-n4ccc(=O)[nH]4)cc3)cccc2[nH+]1 ZINC001212798672 1044451047 /nfs/dbraw/zinc/45/10/47/1044451047.db2.gz MSJSXNMBFONJOX-UHFFFAOYSA-N -1 2 316.364 4.178 20 0 DIADLM Oc1ccc(CN2CCC(Cc3ccccc3)CC2)c(F)c1F ZINC001140889485 1046943094 /nfs/dbraw/zinc/94/30/94/1046943094.db2.gz HMDOMHVAMSNSLA-UHFFFAOYSA-N -1 2 317.379 4.125 20 0 DIADLM Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(F)c(O)c1F ZINC001232933559 1054149560 /nfs/dbraw/zinc/14/95/60/1054149560.db2.gz LCABXTIMMDWIJJ-MRXNPFEDSA-N -1 2 303.352 4.316 20 0 DIADLM Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(O)c2F)c1 ZINC001232930920 1054150583 /nfs/dbraw/zinc/15/05/83/1054150583.db2.gz GRPOBKCVLIRXES-MRXNPFEDSA-N -1 2 303.352 4.316 20 0 DIADLM Oc1ccc(F)c(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)c1F ZINC001233395641 1054258566 /nfs/dbraw/zinc/25/85/66/1054258566.db2.gz HGLGYUGXBCJLNB-NSHDSACASA-N -1 2 323.770 4.313 20 0 DIADLM Oc1ccc(F)c(C[N@H+]2CCCC[C@H]2c2ccccc2)c1F ZINC001233393464 1054259901 /nfs/dbraw/zinc/25/99/01/1054259901.db2.gz WDMKNEDSDGJLEI-INIZCTEOSA-N -1 2 303.352 4.398 20 0 DIADLM Oc1cc(C(F)(F)F)ccc1-c1cc(N2CCCCC2)cc[nH+]1 ZINC001243607139 1057731119 /nfs/dbraw/zinc/73/11/19/1057731119.db2.gz NUDCAMBSNOYQQB-UHFFFAOYSA-N -1 2 322.330 4.463 20 0 DIADLM CC(=O)OCc1cccc(C)c1-c1cc([S-])cc(S)c1 ZINC001243719239 1057761755 /nfs/dbraw/zinc/76/17/55/1057761755.db2.gz FMKKYTYSYOBELF-UHFFFAOYSA-N -1 2 304.436 4.303 20 0 DIADLM Cc1cc(N2CCOCC2)ccc1-c1cc([S-])cc(S)c1 ZINC001244166786 1057890185 /nfs/dbraw/zinc/89/01/85/1057890185.db2.gz HBOWDTNSUGEHFP-UHFFFAOYSA-N -1 2 317.479 4.076 20 0 DIADLM Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(O)c(F)c2F)c1 ZINC001140889818 1046943285 /nfs/dbraw/zinc/94/32/85/1046943285.db2.gz LRHKAKBQCXPWPI-OAHLLOKOSA-N -1 2 303.352 4.316 20 0 DIADLM Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)c(F)c2F)cc1 ZINC001140894120 1046947183 /nfs/dbraw/zinc/94/71/83/1046947183.db2.gz RBKHGLQSCZXMLO-HNNXBMFYSA-N -1 2 303.352 4.316 20 0 DIADLM Oc1cc(Cl)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(Cl)c1 ZINC001142105494 1047380314 /nfs/dbraw/zinc/38/03/14/1047380314.db2.gz BWQQISWNEOKUKO-DTORHVGOSA-N -1 2 322.182 4.176 20 0 DIADLM Oc1c(F)ccc(C[NH+]2CCC(c3ccccc3F)CC2)c1F ZINC001232935817 1054150103 /nfs/dbraw/zinc/15/01/03/1054150103.db2.gz NDELJOHUDPHUEL-UHFFFAOYSA-N -1 2 321.342 4.189 20 0 DIADLM Oc1c(F)ccc(C[N@H+]2CCCC[C@@H]2c2ccccc2)c1F ZINC001232930708 1054150889 /nfs/dbraw/zinc/15/08/89/1054150889.db2.gz FBPNJXMSJQBDJJ-MRXNPFEDSA-N -1 2 303.352 4.398 20 0 DIADLM Oc1cc(F)cc(C[N@H+](Cc2ccccc2)Cc2ccncc2)c1 ZINC001237285213 1055416069 /nfs/dbraw/zinc/41/60/69/1055416069.db2.gz OXTZGAUERSTFLH-UHFFFAOYSA-N -1 2 322.383 4.129 20 0 DIADLM CC(C)NC(=O)c1ccc(-c2cc([S-])cc(S)c2)cc1 ZINC001240025774 1056262311 /nfs/dbraw/zinc/26/23/11/1056262311.db2.gz PKUIJUDCRSBLQB-UHFFFAOYSA-N -1 2 303.452 4.069 20 0 DIADLM CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1cc(O)cc(F)c1)CCC2 ZINC000926181471 1043541037 /nfs/dbraw/zinc/54/10/37/1043541037.db2.gz CJEKXCSORDVVHJ-SJCJKPOMSA-N -1 2 317.408 4.037 20 0 DIADLM Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)c(O)c(F)c2)cc1 ZINC001140989887 1046970126 /nfs/dbraw/zinc/97/01/26/1046970126.db2.gz FZQZJYRKDRZEOP-KRWDZBQOSA-N -1 2 303.352 4.316 20 0 DIADLM COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)c(O)c(F)c2)cc1 ZINC001140989934 1046970384 /nfs/dbraw/zinc/97/03/84/1046970384.db2.gz HCBPSNTZLVCANB-QGZVFWFLSA-N -1 2 319.351 4.016 20 0 DIADLM Oc1cc(Cl)c(C[N@H+]2CCC[C@H]2c2cccnc2)c(Cl)c1 ZINC001142105698 1047381879 /nfs/dbraw/zinc/38/18/79/1047381879.db2.gz KIDCQEQTIRIRIX-INIZCTEOSA-N -1 2 323.223 4.431 20 0 DIADLM CC(C)c1nnc(Nc2cccc(C[NH+]3CCCCC3)c2F)o1 ZINC001215675870 1051293015 /nfs/dbraw/zinc/29/30/15/1051293015.db2.gz JPVHSANEGVCGGX-UHFFFAOYSA-N -1 2 318.396 4.062 20 0 DIADLM Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(O)c1F ZINC001232933558 1054150138 /nfs/dbraw/zinc/15/01/38/1054150138.db2.gz LCABXTIMMDWIJJ-INIZCTEOSA-N -1 2 303.352 4.316 20 0 DIADLM COc1ccc(C[N@@H+](C)C/C=C/c2ccccc2)c(Cl)c1O ZINC001233400948 1054258961 /nfs/dbraw/zinc/25/89/61/1054258961.db2.gz GAHQDZYKCNIOIM-RMKNXTFCSA-N -1 2 317.816 4.199 20 0 DIADLM Oc1ccc(F)c(C[NH+]2CCC(c3ccc(F)cc3)CC2)c1F ZINC001233395774 1054259042 /nfs/dbraw/zinc/25/90/42/1054259042.db2.gz OPSHLKQNUGUIGR-UHFFFAOYSA-N -1 2 321.342 4.189 20 0 DIADLM CCC[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1ccccc1 ZINC001234336165 1054503840 /nfs/dbraw/zinc/50/38/40/1054503840.db2.gz POYPSXNTOQYBCK-INIZCTEOSA-N -1 2 322.297 4.078 20 0 DIADLM CCC[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1ccccc1 ZINC001234336165 1054503855 /nfs/dbraw/zinc/50/38/55/1054503855.db2.gz POYPSXNTOQYBCK-INIZCTEOSA-N -1 2 322.297 4.078 20 0 DIADLM CC(C)(C)NC(=O)c1ccc(-c2cc([S-])cc(S)c2)cc1 ZINC001239993740 1056232579 /nfs/dbraw/zinc/23/25/79/1056232579.db2.gz YZLWUQMILYVJME-UHFFFAOYSA-N -1 2 317.479 4.459 20 0 DIADLM COC(=O)C1(c2ccc(-c3cc([S-])cc(S)c3)cc2)CC1 ZINC001241874088 1057199304 /nfs/dbraw/zinc/19/93/04/1057199304.db2.gz QWPYXHWDFXXQNN-UHFFFAOYSA-N -1 2 316.447 4.136 20 0 DIADLM C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000186165080 337254054 /nfs/dbraw/zinc/25/40/54/337254054.db2.gz KRXBRVGANMLVTF-NSHDSACASA-N -1 2 316.401 4.334 20 0 DIADLM C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc(O)c1Cl ZINC000512677208 340372567 /nfs/dbraw/zinc/37/25/67/340372567.db2.gz HTPKDTKFHQKYIZ-MWLCHTKSSA-N -1 2 307.743 4.208 20 0 DIADLM C[N@@H+](Cc1ccc(O)c(F)c1F)Cc1cccc2ccccc21 ZINC001140890891 1046942990 /nfs/dbraw/zinc/94/29/90/1046942990.db2.gz PFNXMAKMDPKUAM-UHFFFAOYSA-N -1 2 313.347 4.456 20 0 DIADLM Oc1c(F)cc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)cc1F ZINC001140990904 1046970201 /nfs/dbraw/zinc/97/02/01/1046970201.db2.gz CHBGAEXEWLDTAS-MRXNPFEDSA-N -1 2 307.315 4.147 20 0 DIADLM CCCCCC[N@H+](Cc1ccco1)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC001198518340 1047971161 /nfs/dbraw/zinc/97/11/61/1047971161.db2.gz YGESDKIHJWSSET-OAHLLOKOSA-N -1 2 317.433 4.227 20 0 DIADLM FC(F)Oc1cccc(CNc2cc([S-])cc(S)c2)c1 ZINC001161990910 1048210397 /nfs/dbraw/zinc/21/03/97/1048210397.db2.gz NTIDJUVXKOTMJN-UHFFFAOYSA-N -1 2 313.394 4.478 20 0 DIADLM Cn1c(CNc2cc([S-])cc(S)c2)cc2ccccc21 ZINC001163950723 1048555441 /nfs/dbraw/zinc/55/54/41/1048555441.db2.gz PWUPJWLOAWUXJW-UHFFFAOYSA-N -1 2 300.452 4.368 20 0 DIADLM COc1ccc(O[C@@H](C)CNc2cc([S-])cc(S)c2)cc1 ZINC001164051690 1048571601 /nfs/dbraw/zinc/57/16/01/1048571601.db2.gz RZMHRDHVKMPQKO-NSHDSACASA-N -1 2 321.467 4.152 20 0 DIADLM Cc1ccc(C2=CC[N@H+](Cc3c(F)ccc(O)c3F)CC2)cc1 ZINC001204744483 1049248204 /nfs/dbraw/zinc/24/82/04/1049248204.db2.gz TZVKFIIWBSEUCL-UHFFFAOYSA-N -1 2 315.363 4.268 20 0 DIADLM Oc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1C(F)(F)F ZINC001231522802 1053777599 /nfs/dbraw/zinc/77/75/99/1053777599.db2.gz KVVIQUNHCCXGSI-HNNXBMFYSA-N -1 2 307.315 4.358 20 0 DIADLM Oc1c(F)ccc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)c1F ZINC001232934969 1054149933 /nfs/dbraw/zinc/14/99/33/1054149933.db2.gz LQLNIOZHVTWOJS-LLVKDONJSA-N -1 2 323.770 4.313 20 0 DIADLM COc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c(Cl)c1O ZINC001233397929 1054258531 /nfs/dbraw/zinc/25/85/31/1054258531.db2.gz QTLHIKSWYDEZDL-LBPRGKRZSA-N -1 2 317.816 4.174 20 0 DIADLM Oc1ccc(F)c(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)c1F ZINC001233395640 1054259486 /nfs/dbraw/zinc/25/94/86/1054259486.db2.gz HGLGYUGXBCJLNB-LLVKDONJSA-N -1 2 323.770 4.313 20 0 DIADLM CCCCCC[C@H](CC)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234333849 1054503998 /nfs/dbraw/zinc/50/39/98/1054503998.db2.gz ZVVYYCIRLHWQRZ-ZDUSSCGKSA-N -1 2 316.334 4.286 20 0 DIADLM CCCCCC[C@H](CC)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234333849 1054504016 /nfs/dbraw/zinc/50/40/16/1054504016.db2.gz ZVVYYCIRLHWQRZ-ZDUSSCGKSA-N -1 2 316.334 4.286 20 0 DIADLM Oc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC001237284018 1055416472 /nfs/dbraw/zinc/41/64/72/1055416472.db2.gz QZBNFSROFIJWOY-QGZVFWFLSA-N -1 2 307.315 4.147 20 0 DIADLM Oc1cccc(C[NH2+]C2(c3ccccc3F)CCC2)c1Cl ZINC000647237134 1046959520 /nfs/dbraw/zinc/95/95/20/1046959520.db2.gz DCKWVFPCCGUUTL-UHFFFAOYSA-N -1 2 305.780 4.354 20 0 DIADLM COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(F)c(O)c(F)c2)c1 ZINC001140991152 1046971903 /nfs/dbraw/zinc/97/19/03/1046971903.db2.gz ZSUPVWOQBLRLRU-KRWDZBQOSA-N -1 2 319.351 4.016 20 0 DIADLM COc1ccc2c(c1)C[C@@H](Nc1cc([S-])cc(S)c1)CC2 ZINC001170412509 1051203867 /nfs/dbraw/zinc/20/38/67/1051203867.db2.gz GBSNVTLFIPKPLK-ZDUSSCGKSA-N -1 2 317.479 4.242 20 0 DIADLM Oc1ccc(C[N@@H+]2CCc3ccsc3C2)cc1C(F)(F)F ZINC001231522878 1053778059 /nfs/dbraw/zinc/77/80/59/1053778059.db2.gz LOBCRKJNTAVQMS-UHFFFAOYSA-N -1 2 313.344 4.031 20 0 DIADLM CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c(F)ccc(O)c1F ZINC001233396478 1054258784 /nfs/dbraw/zinc/25/87/84/1054258784.db2.gz FIOCQZHRIKSAKK-MRXNPFEDSA-N -1 2 303.352 4.180 20 0 DIADLM Oc1ccc(F)c(C[NH+]2CCC(c3cccs3)CC2)c1F ZINC001233395526 1054260796 /nfs/dbraw/zinc/26/07/96/1054260796.db2.gz AKSXYZRCKHSZAY-UHFFFAOYSA-N -1 2 309.381 4.112 20 0 DIADLM CCC[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1ccccc1 ZINC001234336166 1054503391 /nfs/dbraw/zinc/50/33/91/1054503391.db2.gz POYPSXNTOQYBCK-MRXNPFEDSA-N -1 2 322.297 4.078 20 0 DIADLM CCC[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1ccccc1 ZINC001234336166 1054503408 /nfs/dbraw/zinc/50/34/08/1054503408.db2.gz POYPSXNTOQYBCK-MRXNPFEDSA-N -1 2 322.297 4.078 20 0 DIADLM Oc1c(F)cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1Cl ZINC001237990426 1055575490 /nfs/dbraw/zinc/57/54/90/1055575490.db2.gz SLIJWUXPUWWWMB-AWEZNQCLSA-N -1 2 319.807 4.249 20 0 DIADLM Oc1c(F)cc(C[N@@H+]2CCCC3(CC(F)C3)CC2)cc1Cl ZINC001237993499 1055576875 /nfs/dbraw/zinc/57/68/75/1055576875.db2.gz QZNPIFZGTSBBDE-UHFFFAOYSA-N -1 2 315.791 4.289 20 0 DIADLM C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(F)c(O)c(Cl)c1 ZINC001237990874 1055577726 /nfs/dbraw/zinc/57/77/26/1055577726.db2.gz ZYXLAWXBIGVBPA-UHFFFAOYSA-N -1 2 314.187 4.470 20 0 DIADLM C[C@H](c1ccccc1)[N@H+](Cc1ccc(O)c(F)c1F)C1CC1 ZINC001462222120 1061038024 /nfs/dbraw/zinc/03/80/24/1061038024.db2.gz JXDFZQSCGSYUEQ-GFCCVEGCSA-N -1 2 303.352 4.396 20 0 DIADLM C[C@@H](c1ccccc1)[N@H+](Cc1ccc(O)c(F)c1F)C1CC1 ZINC001462222123 1061039184 /nfs/dbraw/zinc/03/91/84/1061039184.db2.gz JXDFZQSCGSYUEQ-LBPRGKRZSA-N -1 2 303.352 4.396 20 0 DIADLM Oc1ccc(F)c(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1F ZINC000507047432 340206103 /nfs/dbraw/zinc/20/61/03/340206103.db2.gz HKSOQFDTNMPFMB-UHFFFAOYSA-N -1 2 319.326 4.099 20 0 DIADLM Cc1cccc2[nH+]cc(Nc3cc(Cl)c([O-])c(Cl)c3)n21 ZINC001210926258 1037059803 /nfs/dbraw/zinc/05/98/03/1037059803.db2.gz BYHUIEGHQIABPO-UHFFFAOYSA-N -1 2 308.168 4.399 20 0 DIADLM COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(F)c1F ZINC001140894448 1046945854 /nfs/dbraw/zinc/94/58/54/1046945854.db2.gz YTTMNWOREMABOM-AWEZNQCLSA-N -1 2 319.351 4.016 20 0 DIADLM Cn1cc(CNc2cc([S-])cc(S)c2)c2ccccc21 ZINC001162834589 1048369748 /nfs/dbraw/zinc/36/97/48/1048369748.db2.gz AVSFJZSDDGKLKE-UHFFFAOYSA-N -1 2 300.452 4.368 20 0 DIADLM COc1ccc(O[C@H](C)CNc2cc([S-])cc(S)c2)cc1 ZINC001164051689 1048570867 /nfs/dbraw/zinc/57/08/67/1048570867.db2.gz RZMHRDHVKMPQKO-LLVKDONJSA-N -1 2 321.467 4.152 20 0 DIADLM COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(F)c(O)c1F ZINC001232935571 1054150340 /nfs/dbraw/zinc/15/03/40/1054150340.db2.gz UCZLVKOFNBWLSQ-OAHLLOKOSA-N -1 2 319.351 4.016 20 0 DIADLM COc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c(Cl)c1O ZINC001233400897 1054260938 /nfs/dbraw/zinc/26/09/38/1054260938.db2.gz CWLIQZHJBQRGMC-AWEZNQCLSA-N -1 2 303.789 4.001 20 0 DIADLM CCCCC[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)C(C)C ZINC001234333165 1054503639 /nfs/dbraw/zinc/50/36/39/1054503639.db2.gz UBVMKGHTFLRWNT-HNNXBMFYSA-N -1 2 316.334 4.142 20 0 DIADLM CCCCC[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)C(C)C ZINC001234333165 1054503652 /nfs/dbraw/zinc/50/36/52/1054503652.db2.gz UBVMKGHTFLRWNT-HNNXBMFYSA-N -1 2 316.334 4.142 20 0 DIADLM O=C([O-])/C=C/c1ccccc1-c1cc(Cl)c(O)c(Cl)c1 ZINC001242854191 1057500111 /nfs/dbraw/zinc/50/01/11/1057500111.db2.gz UQCZPFNVSINCPB-AATRIKPKSA-N -1 2 309.148 4.464 20 0 DIADLM Oc1cc(C(F)(F)F)ccc1-c1cc(N2CCCC2)cc[nH+]1 ZINC001243607044 1057730991 /nfs/dbraw/zinc/73/09/91/1057730991.db2.gz MLHJLJYAHDIJRD-UHFFFAOYSA-N -1 2 308.303 4.073 20 0 DIADLM C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc(O)c1Cl ZINC000512677210 340372578 /nfs/dbraw/zinc/37/25/78/340372578.db2.gz HTPKDTKFHQKYIZ-ONGXEEELSA-N -1 2 307.743 4.208 20 0 DIADLM CC1(C)CC(Nc2cc([S-])cc(S)c2)CC(C)(C)N1O ZINC001167721057 1041466331 /nfs/dbraw/zinc/46/63/31/1041466331.db2.gz IEIGWRXYHLLQKD-UHFFFAOYSA-N -1 2 312.504 4.087 20 0 DIADLM CC(C)Oc1ccccc1C[NH2+]Cc1cccc(O)c1Cl ZINC000293668354 1044309706 /nfs/dbraw/zinc/30/97/06/1044309706.db2.gz UPHZKJKZSVWGPN-UHFFFAOYSA-N -1 2 305.805 4.123 20 0 DIADLM O=C([O-])c1cc(Cl)cc(Nc2ccc3c(c2)C(O)CCC3)c1 ZINC001211966519 1046565984 /nfs/dbraw/zinc/56/59/84/1046565984.db2.gz CONKXYCNGBSLHK-INIZCTEOSA-N -1 2 317.772 4.152 20 0 DIADLM Oc1c(F)cc(C[NH+]2CCC(c3cccs3)CC2)cc1F ZINC001140989922 1046970074 /nfs/dbraw/zinc/97/00/74/1046970074.db2.gz GXKYROMGXGNCJF-UHFFFAOYSA-N -1 2 309.381 4.112 20 0 DIADLM C[C@@H]1C[N@@H+](Cc2c(Cl)cc(O)cc2Cl)CCC1(F)F ZINC001142105664 1047380931 /nfs/dbraw/zinc/38/09/31/1047380931.db2.gz JJKMKEYVVBBKGW-MRVPVSSYSA-N -1 2 310.171 4.176 20 0 DIADLM [O-]c1c(F)ccc(C[NH+]2CCC(c3cccs3)CC2)c1F ZINC001232935297 1054149065 /nfs/dbraw/zinc/14/90/65/1054149065.db2.gz QRKYAFCFOHICNA-UHFFFAOYSA-N -1 2 309.381 4.112 20 0 DIADLM CCCCCC[C@@H](CC)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234333848 1054502812 /nfs/dbraw/zinc/50/28/12/1054502812.db2.gz ZVVYYCIRLHWQRZ-CYBMUJFWSA-N -1 2 316.334 4.286 20 0 DIADLM CCCCCC[C@@H](CC)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234333848 1054502823 /nfs/dbraw/zinc/50/28/23/1054502823.db2.gz ZVVYYCIRLHWQRZ-CYBMUJFWSA-N -1 2 316.334 4.286 20 0 DIADLM CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(F)c(O)c1 ZINC001236708754 1055237280 /nfs/dbraw/zinc/23/72/80/1055237280.db2.gz SWFKTZKNSCDBOE-KRWDZBQOSA-N -1 2 315.388 4.015 20 0 DIADLM Oc1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)ccc1F ZINC001236707747 1055238088 /nfs/dbraw/zinc/23/80/88/1055238088.db2.gz KJESBPJFBRQNNK-INIZCTEOSA-N -1 2 307.315 4.147 20 0 DIADLM Cc1cc(-c2cc([S-])cc(S)c2)ccc1N1CCOCC1 ZINC001242883904 1057512881 /nfs/dbraw/zinc/51/28/81/1057512881.db2.gz YLFPSRZXUHGPGA-UHFFFAOYSA-N -1 2 317.479 4.076 20 0 DIADLM