smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1csc(CN[C@@H](C)c2ccccc2[O-])n1 ZINC000038090752 188290900 /nfs/dbraw/zinc/29/09/00/188290900.db2.gz MFGNDCJWAWPFNN-JTQLQIEISA-N -1 3 248.351 3.008 20 10 BGCDHM Cc1csc(CN[C@H](C)c2ccccc2[O-])n1 ZINC000038090753 343370429 /nfs/dbraw/zinc/37/04/29/343370429.db2.gz MFGNDCJWAWPFNN-SNVBAGLBSA-N -1 3 248.351 3.008 20 10 BGCDHM CC[C@H](NCc1nccs1)c1ccccc1[O-] ZINC000041011976 343412268 /nfs/dbraw/zinc/41/22/68/343412268.db2.gz LBMWHPOVBJLTQK-NSHDSACASA-N -1 3 248.351 3.090 20 10 BGCDHM CC[C@@H](NCc1nccs1)c1ccccc1[O-] ZINC000041011978 343412564 /nfs/dbraw/zinc/41/25/64/343412564.db2.gz LBMWHPOVBJLTQK-LLVKDONJSA-N -1 3 248.351 3.090 20 10 BGCDHM Cc1ccc([C@@H](C)NCc2nccs2)c([O-])c1 ZINC000041012301 384173348 /nfs/dbraw/zinc/17/33/48/384173348.db2.gz QUXIHZBCQTUOPR-SNVBAGLBSA-N -1 3 248.351 3.008 20 10 BGCDHM Cc1ccc([C@H](C)NCc2nccs2)c([O-])c1 ZINC000041012303 384174083 /nfs/dbraw/zinc/17/40/83/384174083.db2.gz QUXIHZBCQTUOPR-JTQLQIEISA-N -1 3 248.351 3.008 20 10 BGCDHM CCCN(Cc1ccccc1[O-])CC(F)(F)F ZINC000075829155 169177135 /nfs/dbraw/zinc/17/71/35/169177135.db2.gz SNAHRJGFPVNHRN-UHFFFAOYSA-N -1 3 247.260 3.167 20 10 BGCDHM [O-]c1c(Cl)cccc1CN1CCCCC1 ZINC000082292789 384222802 /nfs/dbraw/zinc/22/28/02/384222802.db2.gz LPKBPMUXSUJJQZ-UHFFFAOYSA-N -1 3 225.719 3.032 20 10 BGCDHM [O-]c1ccc(F)cc1CNc1ccccc1 ZINC000083348914 183274985 /nfs/dbraw/zinc/27/49/85/183274985.db2.gz DYGZBVUXTRXLCH-UHFFFAOYSA-N -1 3 217.243 3.143 20 10 BGCDHM Cc1ccccc1NCc1cc(F)ccc1[O-] ZINC000083358030 179306042 /nfs/dbraw/zinc/30/60/42/179306042.db2.gz SZXBRJGGXBMZTO-UHFFFAOYSA-N -1 3 231.270 3.452 20 10 BGCDHM Cc1cccc(NCc2cc(F)ccc2[O-])c1 ZINC000083358044 179149056 /nfs/dbraw/zinc/14/90/56/179149056.db2.gz ZMAWZZKBVMKVTK-UHFFFAOYSA-N -1 3 231.270 3.452 20 10 BGCDHM [O-]c1ccc(F)cc1CNc1ccccc1F ZINC000083361843 183274882 /nfs/dbraw/zinc/27/48/82/183274882.db2.gz BBEAQBMDVDSEQA-UHFFFAOYSA-N -1 3 235.233 3.283 20 10 BGCDHM [O-]c1ccc(F)cc1CNc1ccc(F)cc1 ZINC000083361848 183275045 /nfs/dbraw/zinc/27/50/45/183275045.db2.gz XVQNOLKJORGPMJ-UHFFFAOYSA-N -1 3 235.233 3.283 20 10 BGCDHM [O-]c1ccc(F)cc1CNc1cccc(F)c1 ZINC000083361858 183274448 /nfs/dbraw/zinc/27/44/48/183274448.db2.gz GIMCHUSHAWQLHQ-UHFFFAOYSA-N -1 3 235.233 3.283 20 10 BGCDHM COc1cccc(NCc2cc(F)ccc2[O-])c1 ZINC000083376639 175279476 /nfs/dbraw/zinc/27/94/76/175279476.db2.gz RINVIQWYUAWMAT-UHFFFAOYSA-N -1 3 247.269 3.152 20 10 BGCDHM COc1ccccc1NCc1cc(F)ccc1[O-] ZINC000083376643 175337951 /nfs/dbraw/zinc/33/79/51/175337951.db2.gz MTHURXAPQDBNCU-UHFFFAOYSA-N -1 3 247.269 3.152 20 10 BGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCCC1 ZINC000101590283 384446625 /nfs/dbraw/zinc/44/66/25/384446625.db2.gz XAVWCPDQFDPQIN-UHFFFAOYSA-N -1 3 246.137 3.295 20 10 BGCDHM Cc1ccc([C@@H](C)NCc2cscn2)c([O-])c1 ZINC000108941475 588505729 /nfs/dbraw/zinc/50/57/29/588505729.db2.gz SYGOJOPTTHPHAQ-SNVBAGLBSA-N -1 3 248.351 3.008 20 10 BGCDHM Cc1ccc([C@H](C)NCc2cscn2)c([O-])c1 ZINC000108941477 588505680 /nfs/dbraw/zinc/50/56/80/588505680.db2.gz SYGOJOPTTHPHAQ-JTQLQIEISA-N -1 3 248.351 3.008 20 10 BGCDHM CC[C@H](NCc1cscn1)c1ccccc1[O-] ZINC000108941525 588505794 /nfs/dbraw/zinc/50/57/94/588505794.db2.gz QVEOHSFKUNMCHC-LBPRGKRZSA-N -1 3 248.351 3.090 20 10 BGCDHM CC[C@@H](NCc1cscn1)c1ccccc1[O-] ZINC000108941527 588505775 /nfs/dbraw/zinc/50/57/75/588505775.db2.gz QVEOHSFKUNMCHC-GFCCVEGCSA-N -1 3 248.351 3.090 20 10 BGCDHM CN(Cc1ccccc1[O-])Cc1ccccc1F ZINC000109771251 588592476 /nfs/dbraw/zinc/59/24/76/588592476.db2.gz ZUSITMHRVLBBPQ-UHFFFAOYSA-N -1 3 245.297 3.163 20 10 BGCDHM Cc1cncc(NCc2cc(Cl)ccc2[O-])c1 ZINC000119589067 589310312 /nfs/dbraw/zinc/31/03/12/589310312.db2.gz UQYVGRUGLFHFAM-UHFFFAOYSA-N -1 3 248.713 3.361 20 10 BGCDHM Cc1cncc(NCc2c([O-])cccc2Cl)c1 ZINC000119590720 589310269 /nfs/dbraw/zinc/31/02/69/589310269.db2.gz GAJGSFGRMYEXNY-UHFFFAOYSA-N -1 3 248.713 3.361 20 10 BGCDHM [O-]c1cccc(Cl)c1CNc1cccnc1 ZINC000124083276 589939598 /nfs/dbraw/zinc/93/95/98/589939598.db2.gz CLOKIZPULQZJEY-UHFFFAOYSA-N -1 3 234.686 3.053 20 10 BGCDHM CN(C/C(Cl)=C/Cl)Cc1ccccc1[O-] ZINC000126986610 384849182 /nfs/dbraw/zinc/84/91/82/384849182.db2.gz KLDSAROHFLDLPW-POHAHGRESA-N -1 3 246.137 3.143 20 10 BGCDHM Cc1ccncc1NCc1c([O-])cccc1Cl ZINC000127329284 590622073 /nfs/dbraw/zinc/62/20/73/590622073.db2.gz DXOCBFNBWWHULV-UHFFFAOYSA-N -1 3 248.713 3.361 20 10 BGCDHM CN(Cc1c([O-])cccc1Cl)C1CCC1 ZINC000127456485 384900397 /nfs/dbraw/zinc/90/03/97/384900397.db2.gz ZCONGVRYDMJKDU-UHFFFAOYSA-N -1 3 225.719 3.030 20 10 BGCDHM Cc1ccc(NCc2c([O-])cccc2Cl)cn1 ZINC000128040590 590881195 /nfs/dbraw/zinc/88/11/95/590881195.db2.gz KBKKLZNUYRGNHX-UHFFFAOYSA-N -1 3 248.713 3.361 20 10 BGCDHM Cc1cccnc1NCc1c([O-])cccc1Cl ZINC000130974079 591539980 /nfs/dbraw/zinc/53/99/80/591539980.db2.gz YYIJEMOGWYYQEE-UHFFFAOYSA-N -1 3 248.713 3.361 20 10 BGCDHM Cc1ccnc(NCc2c([O-])cccc2Cl)c1 ZINC000131084714 591550736 /nfs/dbraw/zinc/55/07/36/591550736.db2.gz ZAGYBMAWDGXYAI-UHFFFAOYSA-N -1 3 248.713 3.361 20 10 BGCDHM Cc1cccc(NCc2c([O-])cccc2Cl)n1 ZINC000131195338 591568124 /nfs/dbraw/zinc/56/81/24/591568124.db2.gz XIXZKIHCQYYBJQ-UHFFFAOYSA-N -1 3 248.713 3.361 20 10 BGCDHM CCN(Cc1c([O-])cccc1Cl)C1CC1 ZINC000133321139 345369614 /nfs/dbraw/zinc/36/96/14/345369614.db2.gz JHGADFHJMCYOTM-UHFFFAOYSA-N -1 3 225.719 3.030 20 10 BGCDHM Cc1cnc([C@@H](C)NCc2ccccc2[O-])s1 ZINC000134910468 387811353 /nfs/dbraw/zinc/81/13/53/387811353.db2.gz ZFEDBDXJAUZPQJ-SNVBAGLBSA-N -1 3 248.351 3.008 20 10 BGCDHM Cc1cnc([C@H](C)NCc2ccccc2[O-])s1 ZINC000134910491 387812757 /nfs/dbraw/zinc/81/27/57/387812757.db2.gz ZFEDBDXJAUZPQJ-JTQLQIEISA-N -1 3 248.351 3.008 20 10 BGCDHM CN(Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000153775251 385277873 /nfs/dbraw/zinc/27/78/73/385277873.db2.gz XNLFOVPLNFXEAB-UHFFFAOYSA-N -1 3 246.137 3.293 20 10 BGCDHM Cc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000154242883 641990685 /nfs/dbraw/zinc/99/06/85/641990685.db2.gz CSSLDLFJSWXEGY-JTQLQIEISA-N -1 3 246.285 3.408 20 10 BGCDHM Cc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000154242985 632830053 /nfs/dbraw/zinc/83/00/53/632830053.db2.gz CSSLDLFJSWXEGY-SNVBAGLBSA-N -1 3 246.285 3.408 20 10 BGCDHM Cc1ccc(CN(C)Cc2cc(F)ccc2[O-])o1 ZINC000179884293 385497558 /nfs/dbraw/zinc/49/75/58/385497558.db2.gz OBQLFSMLJJTMIO-UHFFFAOYSA-N -1 3 249.285 3.065 20 10 BGCDHM C[C@@H](c1ccco1)N(C)Cc1cc(F)ccc1[O-] ZINC000179929254 176031090 /nfs/dbraw/zinc/03/10/90/176031090.db2.gz LFYSCVLUTARPBM-JTQLQIEISA-N -1 3 249.285 3.317 20 10 BGCDHM C[C@H](c1ccco1)N(C)Cc1cc(F)ccc1[O-] ZINC000179929272 177047996 /nfs/dbraw/zinc/04/79/96/177047996.db2.gz LFYSCVLUTARPBM-SNVBAGLBSA-N -1 3 249.285 3.317 20 10 BGCDHM Cc1occc1CN(C)Cc1cc(F)ccc1[O-] ZINC000179978653 385502450 /nfs/dbraw/zinc/50/24/50/385502450.db2.gz OCINGGXGVUJDFO-UHFFFAOYSA-N -1 3 249.285 3.065 20 10 BGCDHM CCCN(Cc1cc(F)ccc1[O-])CC(F)F ZINC000180022497 169172777 /nfs/dbraw/zinc/17/27/77/169172777.db2.gz GTOASTRUMJQUNJ-UHFFFAOYSA-N -1 3 247.260 3.008 20 10 BGCDHM Cc1ccnc(N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000186242739 643670145 /nfs/dbraw/zinc/67/01/45/643670145.db2.gz JLVHYIOEFIURPF-JTQLQIEISA-N -1 3 246.285 3.408 20 10 BGCDHM Cc1ccnc(N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000186242756 643670657 /nfs/dbraw/zinc/67/06/57/643670657.db2.gz JLVHYIOEFIURPF-SNVBAGLBSA-N -1 3 246.285 3.408 20 10 BGCDHM Cc1cnc([C@@H](C)N[C@@H](C)c2ccccc2[O-])o1 ZINC000223661104 583180539 /nfs/dbraw/zinc/18/05/39/583180539.db2.gz VOEBKVILRJZURS-WDEREUQCSA-N -1 3 246.310 3.100 20 10 BGCDHM Cc1cnc([C@H](C)N[C@@H](C)c2ccccc2[O-])o1 ZINC000223661161 583180531 /nfs/dbraw/zinc/18/05/31/583180531.db2.gz VOEBKVILRJZURS-QWRGUYRKSA-N -1 3 246.310 3.100 20 10 BGCDHM Cc1cnc([C@@H](C)N[C@H](C)c2ccccc2[O-])o1 ZINC000223661221 583180548 /nfs/dbraw/zinc/18/05/48/583180548.db2.gz VOEBKVILRJZURS-GHMZBOCLSA-N -1 3 246.310 3.100 20 10 BGCDHM Cc1cnc([C@H](C)N[C@H](C)c2ccccc2[O-])o1 ZINC000223661276 583180519 /nfs/dbraw/zinc/18/05/19/583180519.db2.gz VOEBKVILRJZURS-MNOVXSKESA-N -1 3 246.310 3.100 20 10 BGCDHM CC1=CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271785551 168114630 /nfs/dbraw/zinc/11/46/30/168114630.db2.gz IGPMWXCGSDVTHS-UHFFFAOYSA-N -1 3 237.730 3.198 20 10 BGCDHM [O-]c1cccc(Cl)c1CN1CCC=C(F)C1 ZINC000272740364 183292341 /nfs/dbraw/zinc/29/23/41/183292341.db2.gz IGSZVHLLOZAAOC-UHFFFAOYSA-N -1 3 241.693 3.105 20 10 BGCDHM CCN(Cc1c([O-])cccc1Cl)CC(F)F ZINC000273349499 389038829 /nfs/dbraw/zinc/03/88/29/389038829.db2.gz ARJSMCQUNLIFFR-UHFFFAOYSA-N -1 3 249.688 3.133 20 10 BGCDHM CC1=CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000281862772 168100389 /nfs/dbraw/zinc/10/03/89/168100389.db2.gz UBFVPLWFIPMEKG-UHFFFAOYSA-N -1 3 237.730 3.198 20 10 BGCDHM CC[C@@H](NCc1ccco1)c1ccc(F)cc1[O-] ZINC000285609110 352052638 /nfs/dbraw/zinc/05/26/38/352052638.db2.gz KDUUBGPHPBTVBX-CYBMUJFWSA-N -1 3 249.285 3.365 20 10 BGCDHM CC[C@H](NCc1ccco1)c1ccc(F)cc1[O-] ZINC000285609113 385949376 /nfs/dbraw/zinc/94/93/76/385949376.db2.gz KDUUBGPHPBTVBX-ZDUSSCGKSA-N -1 3 249.285 3.365 20 10 BGCDHM CC[C@@H](NCc1ccoc1)c1ccc(F)cc1[O-] ZINC000286265422 352083282 /nfs/dbraw/zinc/08/32/82/352083282.db2.gz VEDIILWWUWFEDD-CYBMUJFWSA-N -1 3 249.285 3.365 20 10 BGCDHM CC[C@H](NCc1ccoc1)c1ccc(F)cc1[O-] ZINC000286265423 386017257 /nfs/dbraw/zinc/01/72/57/386017257.db2.gz VEDIILWWUWFEDD-ZDUSSCGKSA-N -1 3 249.285 3.365 20 10 BGCDHM CC[C@H](NCCF)c1cccc(Cl)c1[O-] ZINC000287219851 387384167 /nfs/dbraw/zinc/38/41/67/387384167.db2.gz XMWMUYUCMCSMHD-JTQLQIEISA-N -1 3 231.698 3.056 20 10 BGCDHM CC[C@@H](NCCF)c1cccc(Cl)c1[O-] ZINC000287219854 387386355 /nfs/dbraw/zinc/38/63/55/387386355.db2.gz XMWMUYUCMCSMHD-SNVBAGLBSA-N -1 3 231.698 3.056 20 10 BGCDHM CC[C@@H](N[C@H](C)C(F)(F)F)c1ccccc1[O-] ZINC000287367549 359491733 /nfs/dbraw/zinc/49/17/33/359491733.db2.gz OMEYHIFRQHYAEB-PSASIEDQSA-N -1 3 247.260 3.384 20 10 BGCDHM CC[C@H](N[C@H](C)C(F)(F)F)c1ccccc1[O-] ZINC000287367551 387420053 /nfs/dbraw/zinc/42/00/53/387420053.db2.gz OMEYHIFRQHYAEB-SCZZXKLOSA-N -1 3 247.260 3.384 20 10 BGCDHM CC[C@@H](N[C@@H](C)C(F)(F)F)c1ccccc1[O-] ZINC000287367553 359491982 /nfs/dbraw/zinc/49/19/82/359491982.db2.gz OMEYHIFRQHYAEB-WCBMZHEXSA-N -1 3 247.260 3.384 20 10 BGCDHM CC[C@H](N[C@@H](C)C(F)(F)F)c1ccccc1[O-] ZINC000287367554 387420947 /nfs/dbraw/zinc/42/09/47/387420947.db2.gz OMEYHIFRQHYAEB-WPRPVWTQSA-N -1 3 247.260 3.384 20 10 BGCDHM Cc1ccc([C@@H](C)N[C@@H](C)C(F)(F)F)c([O-])c1 ZINC000287386020 387423804 /nfs/dbraw/zinc/42/38/04/387423804.db2.gz PUQVUIRWEUFMIU-BDAKNGLRSA-N -1 3 247.260 3.302 20 10 BGCDHM Cc1ccc([C@H](C)N[C@H](C)C(F)(F)F)c([O-])c1 ZINC000287386024 387423203 /nfs/dbraw/zinc/42/32/03/387423203.db2.gz PUQVUIRWEUFMIU-DTWKUNHWSA-N -1 3 247.260 3.302 20 10 BGCDHM Cc1ccc([C@H](C)N[C@@H](C)C(F)(F)F)c([O-])c1 ZINC000287386026 387423720 /nfs/dbraw/zinc/42/37/20/387423720.db2.gz PUQVUIRWEUFMIU-IUCAKERBSA-N -1 3 247.260 3.302 20 10 BGCDHM Cc1ccc([C@@H](C)N[C@H](C)C(F)(F)F)c([O-])c1 ZINC000287386029 387423712 /nfs/dbraw/zinc/42/37/12/387423712.db2.gz PUQVUIRWEUFMIU-RKDXNWHRSA-N -1 3 247.260 3.302 20 10 BGCDHM Cc1ccoc1CN(C)Cc1cc(F)ccc1[O-] ZINC000292798821 386728175 /nfs/dbraw/zinc/72/81/75/386728175.db2.gz NHONAHZQDUHJKQ-UHFFFAOYSA-N -1 3 249.285 3.065 20 10 BGCDHM CC[C@@H]1CCN1Cc1c([O-])cccc1Cl ZINC000292831956 171023448 /nfs/dbraw/zinc/02/34/48/171023448.db2.gz RJFDHVAFKTZSKK-SECBINFHSA-N -1 3 225.719 3.030 20 10 BGCDHM CC[C@H]1CCN1Cc1c([O-])cccc1Cl ZINC000292831960 386733165 /nfs/dbraw/zinc/73/31/65/386733165.db2.gz RJFDHVAFKTZSKK-VIFPVBQESA-N -1 3 225.719 3.030 20 10 BGCDHM CC[C@H]1CCN1Cc1cccc(Cl)c1[O-] ZINC000292859561 386740395 /nfs/dbraw/zinc/74/03/95/386740395.db2.gz VEOAOTGRQXZSDW-JTQLQIEISA-N -1 3 225.719 3.030 20 10 BGCDHM CC[C@@H]1CCN1Cc1cccc(Cl)c1[O-] ZINC000292859569 171024849 /nfs/dbraw/zinc/02/48/49/171024849.db2.gz VEOAOTGRQXZSDW-SNVBAGLBSA-N -1 3 225.719 3.030 20 10 BGCDHM CC(C)(NCc1cc(Cl)ccc1[O-])C(F)F ZINC000381158096 710605604 /nfs/dbraw/zinc/60/56/04/710605604.db2.gz QQUISRYHBCVUOJ-UHFFFAOYSA-N -1 3 249.688 3.179 20 10 BGCDHM C[C@@H](NCC(C)(F)F)c1cc(Cl)ccc1[O-] ZINC000382171166 710803882 /nfs/dbraw/zinc/80/38/82/710803882.db2.gz WKMKGGDMDAKECY-SSDOTTSWSA-N -1 3 249.688 3.351 20 10 BGCDHM C[C@H](NCC(C)(F)F)c1cc(Cl)ccc1[O-] ZINC000382171167 710804609 /nfs/dbraw/zinc/80/46/09/710804609.db2.gz WKMKGGDMDAKECY-ZETCQYMHSA-N -1 3 249.688 3.351 20 10 BGCDHM CC(C)N(Cc1cc(F)ccc1[O-])CC(F)F ZINC000386794041 711037190 /nfs/dbraw/zinc/03/71/90/711037190.db2.gz MGSQFGBRZHBLQA-UHFFFAOYSA-N -1 3 247.260 3.007 20 10 BGCDHM CCC(F)(F)CNCc1c([O-])cccc1Cl ZINC000700228525 711988244 /nfs/dbraw/zinc/98/82/44/711988244.db2.gz HSWMENCJJFIUFA-UHFFFAOYSA-N -1 3 249.688 3.181 20 10 BGCDHM Cc1ccc(NC(=O)c2cc([O-])cs2)cc1C ZINC000731863662 584929748 /nfs/dbraw/zinc/92/97/48/584929748.db2.gz AXQNYCNGZZBFJK-UHFFFAOYSA-N -1 3 247.319 3.323 20 10 BGCDHM Cc1ccccc1NC(=O)c1cc([O-])cs1 ZINC000731863747 584929930 /nfs/dbraw/zinc/92/99/30/584929930.db2.gz CYDOOMIXTDCYCH-UHFFFAOYSA-N -1 3 233.292 3.014 20 10 BGCDHM Cc1cc(C)cc(NC(=O)c2cc([O-])cs2)c1 ZINC000731863995 584929834 /nfs/dbraw/zinc/92/98/34/584929834.db2.gz IIKLWVIGMMAWJL-UHFFFAOYSA-N -1 3 247.319 3.323 20 10 BGCDHM Cc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731864082 584929716 /nfs/dbraw/zinc/92/97/16/584929716.db2.gz NZICQGGRCZNLGT-UHFFFAOYSA-N -1 3 233.292 3.014 20 10 BGCDHM CCc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731864431 584929699 /nfs/dbraw/zinc/92/96/99/584929699.db2.gz VAIXFOHJHHNHEB-UHFFFAOYSA-N -1 3 247.319 3.268 20 10 BGCDHM CCc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000731864494 584929936 /nfs/dbraw/zinc/92/99/36/584929936.db2.gz YBEAEAPYFHNZGG-UHFFFAOYSA-N -1 3 247.319 3.268 20 10 BGCDHM Cc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000731864516 584929856 /nfs/dbraw/zinc/92/98/56/584929856.db2.gz YWRUJNPAWSCURX-UHFFFAOYSA-N -1 3 233.292 3.014 20 10 BGCDHM CCCCC[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000731867420 584930479 /nfs/dbraw/zinc/93/04/79/584930479.db2.gz KETPQUYPDDBNFI-SECBINFHSA-N -1 3 241.356 3.152 20 10 BGCDHM CCCCC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000731867421 584930593 /nfs/dbraw/zinc/93/05/93/584930593.db2.gz KETPQUYPDDBNFI-VIFPVBQESA-N -1 3 241.356 3.152 20 10 BGCDHM CCc1ccccc1NC(=O)c1cc([O-])cs1 ZINC000731867808 584930569 /nfs/dbraw/zinc/93/05/69/584930569.db2.gz WPDLMBHOXILHOD-UHFFFAOYSA-N -1 3 247.319 3.268 20 10 BGCDHM Cc1cccc(COC(=O)c2cc([O-])cs2)c1 ZINC000731910438 584931002 /nfs/dbraw/zinc/93/10/02/584931002.db2.gz REZYYYWSCKHYSB-UHFFFAOYSA-N -1 3 248.303 3.119 20 10 BGCDHM O=C(OCC1CCCCC1)c1cc([O-])cs1 ZINC000731910587 584931214 /nfs/dbraw/zinc/93/12/14/584931214.db2.gz SVPSUMXGOFUQBF-UHFFFAOYSA-N -1 3 240.324 3.191 20 10 BGCDHM Cc1ccccc1COC(=O)c1cc([O-])cs1 ZINC000731910589 584931243 /nfs/dbraw/zinc/93/12/43/584931243.db2.gz SXRKGXFMVXXWLQ-UHFFFAOYSA-N -1 3 248.303 3.119 20 10 BGCDHM Cc1ccc(COC(=O)c2cc([O-])cs2)cc1 ZINC000731911943 584931360 /nfs/dbraw/zinc/93/13/60/584931360.db2.gz OJGHCTVJWPPTSA-UHFFFAOYSA-N -1 3 248.303 3.119 20 10 BGCDHM Cc1cccc(NC(=O)c2cc([O-])cs2)c1C ZINC000732264596 584935130 /nfs/dbraw/zinc/93/51/30/584935130.db2.gz FXMOEHNRYHGKBE-UHFFFAOYSA-N -1 3 247.319 3.323 20 10 BGCDHM Cc1ccc(NC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732265007 584935031 /nfs/dbraw/zinc/93/50/31/584935031.db2.gz MKPBWHQQMUCYSL-UHFFFAOYSA-N -1 3 247.319 3.323 20 10 BGCDHM CC(C)(C)CCOC(=O)c1cc([O-])cs1 ZINC000732353820 584936238 /nfs/dbraw/zinc/93/62/38/584936238.db2.gz AKZBGGYXBGPFSC-UHFFFAOYSA-N -1 3 228.313 3.047 20 10 BGCDHM CCCCCCOC(=O)c1cc([O-])cs1 ZINC000732354464 584936183 /nfs/dbraw/zinc/93/61/83/584936183.db2.gz MXYMGLWYIJXKRC-UHFFFAOYSA-N -1 3 228.313 3.191 20 10 BGCDHM CC(C)(C)CCCNC(=O)c1cc([O-])cs1 ZINC000740141920 585094873 /nfs/dbraw/zinc/09/48/73/585094873.db2.gz AGUYTBDXSXYDRY-UHFFFAOYSA-N -1 3 241.356 3.010 20 10 BGCDHM CC[C@@H](C)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000743720145 585138829 /nfs/dbraw/zinc/13/88/29/585138829.db2.gz RZPLQTYNIQCBTL-BDAKNGLRSA-N -1 3 241.356 3.008 20 10 BGCDHM CC[C@H](C)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000743720146 585138793 /nfs/dbraw/zinc/13/87/93/585138793.db2.gz RZPLQTYNIQCBTL-DTWKUNHWSA-N -1 3 241.356 3.008 20 10 BGCDHM CC[C@H](C)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000743720147 585138898 /nfs/dbraw/zinc/13/88/98/585138898.db2.gz RZPLQTYNIQCBTL-IUCAKERBSA-N -1 3 241.356 3.008 20 10 BGCDHM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000743720148 585138883 /nfs/dbraw/zinc/13/88/83/585138883.db2.gz RZPLQTYNIQCBTL-RKDXNWHRSA-N -1 3 241.356 3.008 20 10 BGCDHM CCC(C)(C)CCOC(=O)c1cc([O-])cs1 ZINC000745001865 585155196 /nfs/dbraw/zinc/15/51/96/585155196.db2.gz CSFDAUCLXQXJKC-UHFFFAOYSA-N -1 3 242.340 3.437 20 10 BGCDHM O=C(OCCC1CCCC1)c1cc([O-])cs1 ZINC000745003046 585155172 /nfs/dbraw/zinc/15/51/72/585155172.db2.gz VEISTYLKUIMPFV-UHFFFAOYSA-N -1 3 240.324 3.191 20 10 BGCDHM Cc1cscc1NC(=O)c1cc([O-])cs1 ZINC000749293126 585201083 /nfs/dbraw/zinc/20/10/83/585201083.db2.gz ZPHGGKGHOHPFFP-UHFFFAOYSA-N -1 3 239.321 3.076 20 10 BGCDHM Cc1occc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000756483121 585320129 /nfs/dbraw/zinc/32/01/29/585320129.db2.gz NJNWNJRLALXUDA-SECBINFHSA-N -1 3 249.285 3.284 20 10 BGCDHM Cc1occc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000756483123 585320219 /nfs/dbraw/zinc/32/02/19/585320219.db2.gz NJNWNJRLALXUDA-VIFPVBQESA-N -1 3 249.285 3.284 20 10 BGCDHM CC(C)CCCOC(=O)c1cc([O-])cs1 ZINC000758462872 585355977 /nfs/dbraw/zinc/35/59/77/585355977.db2.gz PEJSMRQHUQNMCH-UHFFFAOYSA-N -1 3 228.313 3.047 20 10 BGCDHM CC1(C)CCN1Cc1c([O-])cccc1Cl ZINC000769446562 585556777 /nfs/dbraw/zinc/55/67/77/585556777.db2.gz RMTUEWCQRZTHLY-UHFFFAOYSA-N -1 3 225.719 3.030 20 10 BGCDHM CC1=CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769447626 585556810 /nfs/dbraw/zinc/55/68/10/585556810.db2.gz TWPNRNKLCBDXEX-UHFFFAOYSA-N -1 3 237.730 3.198 20 10 BGCDHM CC1=CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000769447891 585556726 /nfs/dbraw/zinc/55/67/26/585556726.db2.gz ZVHFMRNNFSGDTD-UHFFFAOYSA-N -1 3 237.730 3.198 20 10 BGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775662324 585682726 /nfs/dbraw/zinc/68/27/26/585682726.db2.gz VJWXSDXCGRYRMM-MRVPVSSYSA-N -1 3 243.709 3.027 20 10 BGCDHM C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775662325 585682701 /nfs/dbraw/zinc/68/27/01/585682701.db2.gz VJWXSDXCGRYRMM-QMMMGPOBSA-N -1 3 243.709 3.027 20 10 BGCDHM Cc1cc(Cl)cc(CN(C)CC(F)F)c1[O-] ZINC000775664336 585682712 /nfs/dbraw/zinc/68/27/12/585682712.db2.gz SYRNASUFEZLOCJ-UHFFFAOYSA-N -1 3 249.688 3.051 20 10 BGCDHM C[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775692947 585683153 /nfs/dbraw/zinc/68/31/53/585683153.db2.gz QZAKJKSLPBBACU-MRVPVSSYSA-N -1 3 243.709 3.169 20 10 BGCDHM C[C@H]1CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775692949 585683074 /nfs/dbraw/zinc/68/30/74/585683074.db2.gz QZAKJKSLPBBACU-QMMMGPOBSA-N -1 3 243.709 3.169 20 10 BGCDHM CC1(C)CCN1Cc1cccc(Cl)c1[O-] ZINC000775703159 585683592 /nfs/dbraw/zinc/68/35/92/585683592.db2.gz LAPDIZLPYBACPJ-UHFFFAOYSA-N -1 3 225.719 3.030 20 10 BGCDHM CC1(C)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775703528 585683394 /nfs/dbraw/zinc/68/33/94/585683394.db2.gz RUWQCBGCKKLMHD-UHFFFAOYSA-N -1 3 243.709 3.169 20 10 BGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCCCC1 ZINC000775746928 585683484 /nfs/dbraw/zinc/68/34/84/585683484.db2.gz IDQDEMHQWKVSJQ-UHFFFAOYSA-N -1 3 243.709 3.171 20 10 BGCDHM CCN(Cc1ccoc1)Cc1cc(F)ccc1[O-] ZINC000779008345 585743710 /nfs/dbraw/zinc/74/37/10/585743710.db2.gz SZBNWIVWTOMVNK-UHFFFAOYSA-N -1 3 249.285 3.146 20 10 BGCDHM [O-]c1ccc(Cl)cc1CN1CCC=C(F)C1 ZINC000780895579 585785761 /nfs/dbraw/zinc/78/57/61/585785761.db2.gz XSUZSIOGPYPZQS-UHFFFAOYSA-N -1 3 241.693 3.105 20 10 BGCDHM CC(C)[C@H](NCc1ccccc1[O-])C(F)(F)F ZINC000786836688 585897720 /nfs/dbraw/zinc/89/77/20/585897720.db2.gz OHSNTKNXMQSPNR-NSHDSACASA-N -1 3 247.260 3.069 20 10 BGCDHM CC[C@H](N[C@H](C)c1ccccc1[O-])C(F)(F)F ZINC000786972574 585899271 /nfs/dbraw/zinc/89/92/71/585899271.db2.gz DLTYDHWSYXJZJS-KCJUWKMLSA-N -1 3 247.260 3.384 20 10 BGCDHM CC[C@H](N[C@@H](C)c1ccccc1[O-])C(F)(F)F ZINC000786972575 585899176 /nfs/dbraw/zinc/89/91/76/585899176.db2.gz DLTYDHWSYXJZJS-KWQFWETISA-N -1 3 247.260 3.384 20 10 BGCDHM CC1(C)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000792164814 644792862 /nfs/dbraw/zinc/79/28/62/644792862.db2.gz FKYFTPIICLKFGE-UHFFFAOYSA-N -1 3 243.709 3.169 20 10 BGCDHM C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167678 585997034 /nfs/dbraw/zinc/99/70/34/585997034.db2.gz YGBJMFNALMDEKO-MRVPVSSYSA-N -1 3 243.709 3.027 20 10 BGCDHM C[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167679 585997019 /nfs/dbraw/zinc/99/70/19/585997019.db2.gz YGBJMFNALMDEKO-QMMMGPOBSA-N -1 3 243.709 3.027 20 10 BGCDHM CC(C)C1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000793191704 586013756 /nfs/dbraw/zinc/01/37/56/586013756.db2.gz LAPHXRISRLIGFN-UHFFFAOYSA-N -1 3 239.746 3.133 20 10 BGCDHM CC(C)C1CN(Cc2cccc(Cl)c2[O-])C1 ZINC000793191726 586013776 /nfs/dbraw/zinc/01/37/76/586013776.db2.gz LZYMJWFUZGNJQL-UHFFFAOYSA-N -1 3 239.746 3.133 20 10 BGCDHM CC(C)C1CN(Cc2c([O-])cccc2Cl)C1 ZINC000793193653 586013762 /nfs/dbraw/zinc/01/37/62/586013762.db2.gz XOGFGPXBDMXYGQ-UHFFFAOYSA-N -1 3 239.746 3.133 20 10 BGCDHM C[C@@H]1C[C@@H](C)N1Cc1c([O-])ccc(Cl)c1F ZINC000793219983 586014410 /nfs/dbraw/zinc/01/44/10/586014410.db2.gz IVDUAYKBYCINJX-HTQZYQBOSA-N -1 3 243.709 3.167 20 10 BGCDHM C[C@@H]1C[C@H](C)N1Cc1c([O-])ccc(Cl)c1F ZINC000793219985 586014443 /nfs/dbraw/zinc/01/44/43/586014443.db2.gz IVDUAYKBYCINJX-OCAPTIKFSA-N -1 3 243.709 3.167 20 10 BGCDHM C[C@H]1C[C@H](C)N1Cc1c([O-])ccc(Cl)c1F ZINC000793219986 586014453 /nfs/dbraw/zinc/01/44/53/586014453.db2.gz IVDUAYKBYCINJX-YUMQZZPRSA-N -1 3 243.709 3.167 20 10 BGCDHM C[C@@H]1C[C@@H](C)N1Cc1cc(Cl)cc(F)c1[O-] ZINC000793221010 586014429 /nfs/dbraw/zinc/01/44/29/586014429.db2.gz UGXXICHAIOOMDS-HTQZYQBOSA-N -1 3 243.709 3.167 20 10 BGCDHM C[C@@H]1C[C@H](C)N1Cc1cc(Cl)cc(F)c1[O-] ZINC000793221012 586014588 /nfs/dbraw/zinc/01/45/88/586014588.db2.gz UGXXICHAIOOMDS-OCAPTIKFSA-N -1 3 243.709 3.167 20 10 BGCDHM C[C@H]1C[C@H](C)N1Cc1cc(Cl)cc(F)c1[O-] ZINC000793221013 586014562 /nfs/dbraw/zinc/01/45/62/586014562.db2.gz UGXXICHAIOOMDS-YUMQZZPRSA-N -1 3 243.709 3.167 20 10 BGCDHM C[C@@H]1C[C@H](C)N1Cc1c([O-])cccc1Cl ZINC000793228135 586014616 /nfs/dbraw/zinc/01/46/16/586014616.db2.gz JVNFSNRHZSYWPT-DTORHVGOSA-N -1 3 225.719 3.028 20 10 BGCDHM C[C@H]1C[C@H](C)N1Cc1c([O-])cccc1Cl ZINC000793228139 586014705 /nfs/dbraw/zinc/01/47/05/586014705.db2.gz JVNFSNRHZSYWPT-IUCAKERBSA-N -1 3 225.719 3.028 20 10 BGCDHM C[C@@H]1C[C@@H](C)N1Cc1c([O-])cccc1Cl ZINC000793228142 586014820 /nfs/dbraw/zinc/01/48/20/586014820.db2.gz JVNFSNRHZSYWPT-RKDXNWHRSA-N -1 3 225.719 3.028 20 10 BGCDHM C[C@@H]1C[C@H](C)N1Cc1cccc(Cl)c1[O-] ZINC000793228492 586014657 /nfs/dbraw/zinc/01/46/57/586014657.db2.gz MWDDWAUDLNLERX-DTORHVGOSA-N -1 3 225.719 3.028 20 10 BGCDHM C[C@H]1C[C@H](C)N1Cc1cccc(Cl)c1[O-] ZINC000793228495 586014805 /nfs/dbraw/zinc/01/48/05/586014805.db2.gz MWDDWAUDLNLERX-IUCAKERBSA-N -1 3 225.719 3.028 20 10 BGCDHM C[C@@H]1C[C@@H](C)N1Cc1cccc(Cl)c1[O-] ZINC000793228497 586014889 /nfs/dbraw/zinc/01/48/89/586014889.db2.gz MWDDWAUDLNLERX-RKDXNWHRSA-N -1 3 225.719 3.028 20 10 BGCDHM C[C@@H]1C[C@H](C)N1Cc1cc(Cl)ccc1[O-] ZINC000793228810 586014675 /nfs/dbraw/zinc/01/46/75/586014675.db2.gz RNINJILBHXZGIS-DTORHVGOSA-N -1 3 225.719 3.028 20 10 BGCDHM C[C@H]1C[C@H](C)N1Cc1cc(Cl)ccc1[O-] ZINC000793228812 586014649 /nfs/dbraw/zinc/01/46/49/586014649.db2.gz RNINJILBHXZGIS-IUCAKERBSA-N -1 3 225.719 3.028 20 10 BGCDHM C[C@@H]1C[C@@H](C)N1Cc1cc(Cl)ccc1[O-] ZINC000793228813 586014917 /nfs/dbraw/zinc/01/49/17/586014917.db2.gz RNINJILBHXZGIS-RKDXNWHRSA-N -1 3 225.719 3.028 20 10 BGCDHM CC1=CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000798090539 586136645 /nfs/dbraw/zinc/13/66/45/586136645.db2.gz OQHXDVWTQNKORL-UHFFFAOYSA-N -1 3 237.730 3.198 20 10 BGCDHM CC1=CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000798090716 586136697 /nfs/dbraw/zinc/13/66/97/586136697.db2.gz YUXWXLLSFMWFRP-UHFFFAOYSA-N -1 3 237.730 3.198 20 10 BGCDHM CC1(C)CCC[C@@H]1OC(=O)c1cc([O-])cs1 ZINC000799487029 586180015 /nfs/dbraw/zinc/18/00/15/586180015.db2.gz ZLGGSXGLDUNPSU-JTQLQIEISA-N -1 3 240.324 3.189 20 10 BGCDHM CC1(C)CCC[C@H]1OC(=O)c1cc([O-])cs1 ZINC000799487030 586179820 /nfs/dbraw/zinc/17/98/20/586179820.db2.gz ZLGGSXGLDUNPSU-SNVBAGLBSA-N -1 3 240.324 3.189 20 10 BGCDHM Cc1ccc([C@@H](C)NC2(C(F)F)CC2)c([O-])c1 ZINC000800502438 586223801 /nfs/dbraw/zinc/22/38/01/586223801.db2.gz SMJIDXGXPQDSMA-SECBINFHSA-N -1 3 241.281 3.149 20 10 BGCDHM Cc1ccc([C@H](C)NC2(C(F)F)CC2)c([O-])c1 ZINC000800502439 586223945 /nfs/dbraw/zinc/22/39/45/586223945.db2.gz SMJIDXGXPQDSMA-VIFPVBQESA-N -1 3 241.281 3.149 20 10 BGCDHM CC[C@H](NC1(C(F)F)CC1)c1ccccc1[O-] ZINC000800502861 586223477 /nfs/dbraw/zinc/22/34/77/586223477.db2.gz YMIQVCHSDYCXLU-JTQLQIEISA-N -1 3 241.281 3.231 20 10 BGCDHM CC[C@@H](NC1(C(F)F)CC1)c1ccccc1[O-] ZINC000800502862 586223442 /nfs/dbraw/zinc/22/34/42/586223442.db2.gz YMIQVCHSDYCXLU-SNVBAGLBSA-N -1 3 241.281 3.231 20 10 BGCDHM [O-]c1ccccc1CN1CCCC[C@@H]1C(F)F ZINC000800533487 586224244 /nfs/dbraw/zinc/22/42/44/586224244.db2.gz PDWORBYXZANFPF-LLVKDONJSA-N -1 3 241.281 3.012 20 10 BGCDHM [O-]c1ccccc1CN1CCCC[C@H]1C(F)F ZINC000800533488 586224317 /nfs/dbraw/zinc/22/43/17/586224317.db2.gz PDWORBYXZANFPF-NSHDSACASA-N -1 3 241.281 3.012 20 10 BGCDHM [O-]c1ccccc1CNC1(C(F)F)CCCC1 ZINC000808451138 586472613 /nfs/dbraw/zinc/47/26/13/586472613.db2.gz FXHIYIKUDCJVQS-UHFFFAOYSA-N -1 3 241.281 3.060 20 10 BGCDHM CCCC[C@@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000812381588 586575048 /nfs/dbraw/zinc/57/50/48/586575048.db2.gz YABZGPYOHKUBRD-SECBINFHSA-N -1 3 241.356 3.104 20 10 BGCDHM CCCC[C@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000812381589 586575110 /nfs/dbraw/zinc/57/51/10/586575110.db2.gz YABZGPYOHKUBRD-VIFPVBQESA-N -1 3 241.356 3.104 20 10 BGCDHM CC[C@@H]1CCN1Cc1c([O-])ccc(Cl)c1F ZINC000814178846 586616087 /nfs/dbraw/zinc/61/60/87/586616087.db2.gz FYWKQPRAOWXSBG-MRVPVSSYSA-N -1 3 243.709 3.169 20 10 BGCDHM CC[C@H]1CCN1Cc1c([O-])ccc(Cl)c1F ZINC000814178847 586615826 /nfs/dbraw/zinc/61/58/26/586615826.db2.gz FYWKQPRAOWXSBG-QMMMGPOBSA-N -1 3 243.709 3.169 20 10 BGCDHM CC[C@H]1CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000814179039 586615788 /nfs/dbraw/zinc/61/57/88/586615788.db2.gz NVHIPZBLIWSWNZ-JTQLQIEISA-N -1 3 243.709 3.169 20 10 BGCDHM CC[C@@H]1CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000814179040 586615821 /nfs/dbraw/zinc/61/58/21/586615821.db2.gz NVHIPZBLIWSWNZ-SNVBAGLBSA-N -1 3 243.709 3.169 20 10 BGCDHM CC[C@@H]1CCN1Cc1cc(Cl)ccc1[O-] ZINC000814179260 586615793 /nfs/dbraw/zinc/61/57/93/586615793.db2.gz QHGKPBMEZJXSGU-LLVKDONJSA-N -1 3 225.719 3.030 20 10 BGCDHM CC[C@H]1CCN1Cc1cc(Cl)ccc1[O-] ZINC000814179263 586615724 /nfs/dbraw/zinc/61/57/24/586615724.db2.gz QHGKPBMEZJXSGU-NSHDSACASA-N -1 3 225.719 3.030 20 10 BGCDHM Cc1cc(C)c([C@H](C)NCC(C)(F)F)c([O-])c1 ZINC000815645015 586690247 /nfs/dbraw/zinc/69/02/47/586690247.db2.gz SGFDWXAKVLQCOV-JTQLQIEISA-N -1 3 243.297 3.315 20 10 BGCDHM Cc1cc(C)c([C@@H](C)NCC(C)(F)F)c([O-])c1 ZINC000815645016 586690060 /nfs/dbraw/zinc/69/00/60/586690060.db2.gz SGFDWXAKVLQCOV-SNVBAGLBSA-N -1 3 243.297 3.315 20 10 BGCDHM CC[C@@H](NCC(C)(F)F)c1ccc(C)cc1[O-] ZINC000815645061 586690055 /nfs/dbraw/zinc/69/00/55/586690055.db2.gz TWMMRSLOFCIBDT-LLVKDONJSA-N -1 3 243.297 3.397 20 10 BGCDHM CC[C@H](NCC(C)(F)F)c1ccc(C)cc1[O-] ZINC000815645062 586690456 /nfs/dbraw/zinc/69/04/56/586690456.db2.gz TWMMRSLOFCIBDT-NSHDSACASA-N -1 3 243.297 3.397 20 10 BGCDHM CC[C@H](NCC(C)(F)F)c1ccc(F)cc1[O-] ZINC000815645179 586690028 /nfs/dbraw/zinc/69/00/28/586690028.db2.gz XKPDHULMVWXUTK-JTQLQIEISA-N -1 3 247.260 3.227 20 10 BGCDHM CC[C@@H](NCC(C)(F)F)c1ccc(F)cc1[O-] ZINC000815645180 586690465 /nfs/dbraw/zinc/69/04/65/586690465.db2.gz XKPDHULMVWXUTK-SNVBAGLBSA-N -1 3 247.260 3.227 20 10 BGCDHM C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816496566 586736801 /nfs/dbraw/zinc/73/68/01/586736801.db2.gz OSHXNOAIGYSBMX-MRVPVSSYSA-N -1 3 243.709 3.027 20 10 BGCDHM C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816496567 586736926 /nfs/dbraw/zinc/73/69/26/586736926.db2.gz OSHXNOAIGYSBMX-QMMMGPOBSA-N -1 3 243.709 3.027 20 10 BGCDHM C[C@@H]1CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816508687 586737526 /nfs/dbraw/zinc/73/75/26/586737526.db2.gz RPYLGQUXXKHFBS-MRVPVSSYSA-N -1 3 243.709 3.169 20 10 BGCDHM C[C@H]1CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816508688 586737478 /nfs/dbraw/zinc/73/74/78/586737478.db2.gz RPYLGQUXXKHFBS-QMMMGPOBSA-N -1 3 243.709 3.169 20 10 BGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCCCC1 ZINC000816522020 586738130 /nfs/dbraw/zinc/73/81/30/586738130.db2.gz HMBRAVLCBKUMEU-UHFFFAOYSA-N -1 3 243.709 3.171 20 10 BGCDHM C[C@@H]1C[C@@H](C)N1Cc1cc(Cl)c(F)cc1[O-] ZINC000816595055 586742913 /nfs/dbraw/zinc/74/29/13/586742913.db2.gz XYKJRQDRLCDGGE-HTQZYQBOSA-N -1 3 243.709 3.167 20 10 BGCDHM C[C@@H]1C[C@H](C)N1Cc1cc(Cl)c(F)cc1[O-] ZINC000816595056 586743898 /nfs/dbraw/zinc/74/38/98/586743898.db2.gz XYKJRQDRLCDGGE-OCAPTIKFSA-N -1 3 243.709 3.167 20 10 BGCDHM C[C@H]1C[C@H](C)N1Cc1cc(Cl)c(F)cc1[O-] ZINC000816595057 586743888 /nfs/dbraw/zinc/74/38/88/586743888.db2.gz XYKJRQDRLCDGGE-YUMQZZPRSA-N -1 3 243.709 3.167 20 10 BGCDHM CC[C@@H]1CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816616661 586744405 /nfs/dbraw/zinc/74/44/05/586744405.db2.gz BXAJJTBQFNBNNR-SECBINFHSA-N -1 3 243.709 3.169 20 10 BGCDHM CC[C@H]1CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816616662 586744838 /nfs/dbraw/zinc/74/48/38/586744838.db2.gz BXAJJTBQFNBNNR-VIFPVBQESA-N -1 3 243.709 3.169 20 10 BGCDHM Cc1cc(Cl)cc(CNCC(C)(F)F)c1[O-] ZINC000816642775 586748311 /nfs/dbraw/zinc/74/83/11/586748311.db2.gz KKVBKMZWUSCEKX-UHFFFAOYSA-N -1 3 249.688 3.099 20 10 BGCDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)[C@@H]1C ZINC000816647030 643555809 /nfs/dbraw/zinc/55/58/09/643555809.db2.gz MNAPOEJTLRHBCE-HTQZYQBOSA-N -1 3 243.709 3.025 20 10 BGCDHM C[C@@H]1[C@@H](C)CN1Cc1c([O-])ccc(Cl)c1F ZINC000816647031 643553728 /nfs/dbraw/zinc/55/37/28/643553728.db2.gz MNAPOEJTLRHBCE-JGVFFNPUSA-N -1 3 243.709 3.025 20 10 BGCDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC000816647032 643552788 /nfs/dbraw/zinc/55/27/88/643552788.db2.gz MNAPOEJTLRHBCE-SFYZADRCSA-N -1 3 243.709 3.025 20 10 BGCDHM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC000816647033 643554993 /nfs/dbraw/zinc/55/49/93/643554993.db2.gz MNAPOEJTLRHBCE-YUMQZZPRSA-N -1 3 243.709 3.025 20 10 BGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])[C@@H]1C ZINC000816647277 643554281 /nfs/dbraw/zinc/55/42/81/643554281.db2.gz QJNUWMCKOJONRT-HTQZYQBOSA-N -1 3 243.709 3.025 20 10 BGCDHM C[C@@H]1[C@@H](C)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000816647278 643555012 /nfs/dbraw/zinc/55/50/12/643555012.db2.gz QJNUWMCKOJONRT-JGVFFNPUSA-N -1 3 243.709 3.025 20 10 BGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC000816647279 643553072 /nfs/dbraw/zinc/55/30/72/643553072.db2.gz QJNUWMCKOJONRT-SFYZADRCSA-N -1 3 243.709 3.025 20 10 BGCDHM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC000816647280 643554145 /nfs/dbraw/zinc/55/41/45/643554145.db2.gz QJNUWMCKOJONRT-YUMQZZPRSA-N -1 3 243.709 3.025 20 10 BGCDHM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])[C@@H]1C ZINC000816648588 586751390 /nfs/dbraw/zinc/75/13/90/586751390.db2.gz MNSMCSXCKDLNFN-HTQZYQBOSA-N -1 3 243.709 3.025 20 10 BGCDHM C[C@@H]1[C@@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816648589 586751517 /nfs/dbraw/zinc/75/15/17/586751517.db2.gz MNSMCSXCKDLNFN-JGVFFNPUSA-N -1 3 243.709 3.025 20 10 BGCDHM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])[C@H]1C ZINC000816648590 586751215 /nfs/dbraw/zinc/75/12/15/586751215.db2.gz MNSMCSXCKDLNFN-SFYZADRCSA-N -1 3 243.709 3.025 20 10 BGCDHM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])[C@H]1C ZINC000816648591 586751336 /nfs/dbraw/zinc/75/13/36/586751336.db2.gz MNSMCSXCKDLNFN-YUMQZZPRSA-N -1 3 243.709 3.025 20 10 BGCDHM CC[C@@H](NCc1cc(Cl)ccc1[O-])C(F)F ZINC000824508867 587272159 /nfs/dbraw/zinc/27/21/59/587272159.db2.gz HEXKCMKLQVXJPD-SECBINFHSA-N -1 3 249.688 3.179 20 10 BGCDHM CC[C@H](NCc1cc(Cl)ccc1[O-])C(F)F ZINC000824508869 587272318 /nfs/dbraw/zinc/27/23/18/587272318.db2.gz HEXKCMKLQVXJPD-VIFPVBQESA-N -1 3 249.688 3.179 20 10 BGCDHM CC[C@@H](N[C@H](CC)C(F)F)c1ccccc1[O-] ZINC000824508984 587272138 /nfs/dbraw/zinc/27/21/38/587272138.db2.gz IRMPMWUCOMEFDI-GHMZBOCLSA-N -1 3 243.297 3.477 20 10 BGCDHM CC[C@@H](N[C@@H](CC)C(F)F)c1ccccc1[O-] ZINC000824508985 587272296 /nfs/dbraw/zinc/27/22/96/587272296.db2.gz IRMPMWUCOMEFDI-MNOVXSKESA-N -1 3 243.297 3.477 20 10 BGCDHM CC[C@H](N[C@@H](CC)C(F)F)c1ccccc1[O-] ZINC000824508986 587272384 /nfs/dbraw/zinc/27/23/84/587272384.db2.gz IRMPMWUCOMEFDI-QWRGUYRKSA-N -1 3 243.297 3.477 20 10 BGCDHM CC[C@@H](N[C@@H](CC)c1ccccc1[O-])C(F)F ZINC000824508987 587272329 /nfs/dbraw/zinc/27/23/29/587272329.db2.gz IRMPMWUCOMEFDI-WDEREUQCSA-N -1 3 243.297 3.477 20 10 BGCDHM [O-]c1c(CN2CC[C@@H](F)C2)ccc2ccccc21 ZINC000824572554 587277169 /nfs/dbraw/zinc/27/71/69/587277169.db2.gz ZUMCPCWTEBIRAQ-CYBMUJFWSA-N -1 3 245.297 3.089 20 10 BGCDHM [O-]c1c(CN2CC[C@H](F)C2)ccc2ccccc21 ZINC000824572555 587277011 /nfs/dbraw/zinc/27/70/11/587277011.db2.gz ZUMCPCWTEBIRAQ-ZDUSSCGKSA-N -1 3 245.297 3.089 20 10 BGCDHM Cc1cc([O-])c(CN(C)CC(F)F)cc1Cl ZINC000824627794 587280330 /nfs/dbraw/zinc/28/03/30/587280330.db2.gz XBBGYSGYDVTGDF-UHFFFAOYSA-N -1 3 249.688 3.051 20 10 BGCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H]1C1CC1 ZINC000824650774 587280652 /nfs/dbraw/zinc/28/06/52/587280652.db2.gz QPISMVSTIQXSLG-GFCCVEGCSA-N -1 3 237.730 3.030 20 10 BGCDHM [O-]c1c(Cl)cccc1CN1CC[C@H]1C1CC1 ZINC000824650775 587281104 /nfs/dbraw/zinc/28/11/04/587281104.db2.gz QPISMVSTIQXSLG-LBPRGKRZSA-N -1 3 237.730 3.030 20 10 BGCDHM CC/C=C\CNCc1c([O-])ccc(Cl)c1F ZINC000824710546 587284016 /nfs/dbraw/zinc/28/40/16/587284016.db2.gz ZXMBLSDIPOBZCZ-ARJAWSKDSA-N -1 3 243.709 3.241 20 10 BGCDHM CC/C=C/CNCc1c([O-])ccc(Cl)c1F ZINC000824710547 587284012 /nfs/dbraw/zinc/28/40/12/587284012.db2.gz ZXMBLSDIPOBZCZ-ONEGZZNKSA-N -1 3 243.709 3.241 20 10 BGCDHM Cc1cc([O-])c(CN2CCC2(C)C)cc1Cl ZINC000824823836 587289191 /nfs/dbraw/zinc/28/91/91/587289191.db2.gz DVNZPODKEHZXMH-UHFFFAOYSA-N -1 3 239.746 3.338 20 10 BGCDHM Cc1cc([O-])c(CN2[C@H](C)C[C@@H]2C)cc1Cl ZINC000825737859 587335564 /nfs/dbraw/zinc/33/55/64/587335564.db2.gz GXQVGCONBSUMST-AOOOYVTPSA-N -1 3 239.746 3.337 20 10 BGCDHM Cc1cc([O-])c(CN2[C@H](C)C[C@H]2C)cc1Cl ZINC000825737860 587335257 /nfs/dbraw/zinc/33/52/57/587335257.db2.gz GXQVGCONBSUMST-NXEZZACHSA-N -1 3 239.746 3.337 20 10 BGCDHM Cc1cc([O-])c(CN2[C@@H](C)C[C@@H]2C)cc1Cl ZINC000825737861 587335406 /nfs/dbraw/zinc/33/54/06/587335406.db2.gz GXQVGCONBSUMST-UWVGGRQHSA-N -1 3 239.746 3.337 20 10 BGCDHM CC[C@@H]1CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000825992467 587347967 /nfs/dbraw/zinc/34/79/67/587347967.db2.gz ZSFSPIQUEYOQKR-LLVKDONJSA-N -1 3 239.746 3.338 20 10 BGCDHM CC[C@H]1CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000825992471 587347863 /nfs/dbraw/zinc/34/78/63/587347863.db2.gz ZSFSPIQUEYOQKR-NSHDSACASA-N -1 3 239.746 3.338 20 10 BGCDHM Cc1cc([O-])c(CNCC(C)(F)F)cc1Cl ZINC000826016887 587348360 /nfs/dbraw/zinc/34/83/60/587348360.db2.gz NBEKMKRSSAHIHC-UHFFFAOYSA-N -1 3 249.688 3.099 20 10 BGCDHM CCC(CC)(CC)NC(=O)c1cc([O-])cs1 ZINC000828665926 587456612 /nfs/dbraw/zinc/45/66/12/587456612.db2.gz LJOZHRZODJKMLU-UHFFFAOYSA-N -1 3 241.356 3.152 20 10 BGCDHM CC[C@@H](N[C@H](C)c1cc(F)ccc1[O-])C(F)F ZINC000834826165 584915212 /nfs/dbraw/zinc/91/52/12/584915212.db2.gz DPCWJCGORJCXPZ-GMSGAONNSA-N -1 3 247.260 3.226 20 10 BGCDHM CC[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])C(F)F ZINC000834826187 584915079 /nfs/dbraw/zinc/91/50/79/584915079.db2.gz DPCWJCGORJCXPZ-OIBJUYFYSA-N -1 3 247.260 3.226 20 10 BGCDHM CC[C@H](N[C@H](C)c1cc(F)ccc1[O-])C(F)F ZINC000834826193 584915106 /nfs/dbraw/zinc/91/51/06/584915106.db2.gz DPCWJCGORJCXPZ-XCBNKYQSSA-N -1 3 247.260 3.226 20 10 BGCDHM CC[C@H](N[C@@H](C)c1cc(F)ccc1[O-])C(F)F ZINC000834826199 584915102 /nfs/dbraw/zinc/91/51/02/584915102.db2.gz DPCWJCGORJCXPZ-XVKPBYJWSA-N -1 3 247.260 3.226 20 10 BGCDHM CC[C@@H](N[C@H](C)c1ccccc1[O-])C(F)F ZINC000834826593 587768045 /nfs/dbraw/zinc/76/80/45/587768045.db2.gz FLGOEDMSYYPVTM-PSASIEDQSA-N -1 3 229.270 3.087 20 10 BGCDHM CC[C@H](N[C@H](C)c1ccccc1[O-])C(F)F ZINC000834826594 587768013 /nfs/dbraw/zinc/76/80/13/587768013.db2.gz FLGOEDMSYYPVTM-SCZZXKLOSA-N -1 3 229.270 3.087 20 10 BGCDHM CC[C@@H](N[C@@H](C)c1ccccc1[O-])C(F)F ZINC000834826595 587768067 /nfs/dbraw/zinc/76/80/67/587768067.db2.gz FLGOEDMSYYPVTM-WCBMZHEXSA-N -1 3 229.270 3.087 20 10 BGCDHM CC[C@H](N[C@@H](C)c1ccccc1[O-])C(F)F ZINC000834826596 587767919 /nfs/dbraw/zinc/76/79/19/587767919.db2.gz FLGOEDMSYYPVTM-WPRPVWTQSA-N -1 3 229.270 3.087 20 10 BGCDHM CC[C@@H](N[C@@H]1CCc2cccc([O-])c21)C(F)F ZINC000834826597 587768054 /nfs/dbraw/zinc/76/80/54/587768054.db2.gz FLRJTIAUUHDFCX-NXEZZACHSA-N -1 3 241.281 3.013 20 10 BGCDHM CC[C@H](N[C@H]1CCc2cccc([O-])c21)C(F)F ZINC000834826598 587767895 /nfs/dbraw/zinc/76/78/95/587767895.db2.gz FLRJTIAUUHDFCX-UWVGGRQHSA-N -1 3 241.281 3.013 20 10 BGCDHM CC[C@H](N[C@@H]1CCc2cccc([O-])c21)C(F)F ZINC000834826599 587767960 /nfs/dbraw/zinc/76/79/60/587767960.db2.gz FLRJTIAUUHDFCX-VHSXEESVSA-N -1 3 241.281 3.013 20 10 BGCDHM CC[C@@H](N[C@H]1CCc2cccc([O-])c21)C(F)F ZINC000834826600 587767922 /nfs/dbraw/zinc/76/79/22/587767922.db2.gz FLRJTIAUUHDFCX-ZJUUUORDSA-N -1 3 241.281 3.013 20 10 BGCDHM CC[C@@H](N[C@@H](C)c1ccc(C)cc1[O-])C(F)F ZINC000834828538 587767979 /nfs/dbraw/zinc/76/79/79/587767979.db2.gz VHHPUTOHVIFHKX-GXSJLCMTSA-N -1 3 243.297 3.395 20 10 BGCDHM CC[C@H](N[C@H](C)c1ccc(C)cc1[O-])C(F)F ZINC000834828540 587767866 /nfs/dbraw/zinc/76/78/66/587767866.db2.gz VHHPUTOHVIFHKX-KOLCDFICSA-N -1 3 243.297 3.395 20 10 BGCDHM CC[C@@H](N[C@H](C)c1ccc(C)cc1[O-])C(F)F ZINC000834828542 587767911 /nfs/dbraw/zinc/76/79/11/587767911.db2.gz VHHPUTOHVIFHKX-MWLCHTKSSA-N -1 3 243.297 3.395 20 10 BGCDHM CC[C@H](N[C@@H](C)c1ccc(C)cc1[O-])C(F)F ZINC000834828543 587768093 /nfs/dbraw/zinc/76/80/93/587768093.db2.gz VHHPUTOHVIFHKX-ONGXEEELSA-N -1 3 243.297 3.395 20 10 BGCDHM CC[C@@H](N[C@H](C)c1ccc(F)cc1[O-])C(F)F ZINC000834828784 587768281 /nfs/dbraw/zinc/76/82/81/587768281.db2.gz ZRIZQKFNKIMHDH-GMSGAONNSA-N -1 3 247.260 3.226 20 10 BGCDHM CC[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])C(F)F ZINC000834828785 584915204 /nfs/dbraw/zinc/91/52/04/584915204.db2.gz ZRIZQKFNKIMHDH-OIBJUYFYSA-N -1 3 247.260 3.226 20 10 BGCDHM CC[C@H](N[C@H](C)c1ccc(F)cc1[O-])C(F)F ZINC000834828786 584915181 /nfs/dbraw/zinc/91/51/81/584915181.db2.gz ZRIZQKFNKIMHDH-XCBNKYQSSA-N -1 3 247.260 3.226 20 10 BGCDHM CC[C@H](N[C@@H](C)c1ccc(F)cc1[O-])C(F)F ZINC000834828787 584915237 /nfs/dbraw/zinc/91/52/37/584915237.db2.gz ZRIZQKFNKIMHDH-XVKPBYJWSA-N -1 3 247.260 3.226 20 10 BGCDHM CCC1CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000835074054 587780122 /nfs/dbraw/zinc/78/01/22/587780122.db2.gz GHPDGKJLTQXAMP-UHFFFAOYSA-N -1 3 243.709 3.027 20 10 BGCDHM CCC1CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000835075359 587780160 /nfs/dbraw/zinc/78/01/60/587780160.db2.gz RSSMITVNVQIRJG-UHFFFAOYSA-N -1 3 243.709 3.027 20 10 BGCDHM CCC1CN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000835075364 587780271 /nfs/dbraw/zinc/78/02/71/587780271.db2.gz RTXDIRNZYCGHIA-UHFFFAOYSA-N -1 3 243.709 3.027 20 10 BGCDHM CCC1(C)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839142395 585094737 /nfs/dbraw/zinc/09/47/37/585094737.db2.gz FNUWURNUELZXDY-UHFFFAOYSA-N -1 3 239.746 3.278 20 10 BGCDHM CCC1(C)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000839142951 585094954 /nfs/dbraw/zinc/09/49/54/585094954.db2.gz LLFNIDGZJXTSHR-UHFFFAOYSA-N -1 3 239.746 3.278 20 10 BGCDHM CCC1(C)CN(Cc2c([O-])cccc2Cl)C1 ZINC000839143397 585094817 /nfs/dbraw/zinc/09/48/17/585094817.db2.gz PPEPTLAXIJONMN-UHFFFAOYSA-N -1 3 239.746 3.278 20 10 BGCDHM C[C@H](CC(C)(C)C)NC(=O)c1cc([O-])cs1 ZINC000839792646 585410840 /nfs/dbraw/zinc/41/08/40/585410840.db2.gz QRJLFAMYKZICHA-MRVPVSSYSA-N -1 3 241.356 3.008 20 10 BGCDHM C[C@@H](CC(C)(C)C)NC(=O)c1cc([O-])cs1 ZINC000839792650 585411418 /nfs/dbraw/zinc/41/14/18/585411418.db2.gz QRJLFAMYKZICHA-QMMMGPOBSA-N -1 3 241.356 3.008 20 10 BGCDHM Cc1cc([O-])c(CN(C)C(C)C)c(Cl)c1 ZINC000840907360 587928508 /nfs/dbraw/zinc/92/85/08/587928508.db2.gz DCEZPSXHWCGEPB-UHFFFAOYSA-N -1 3 227.735 3.194 20 10 BGCDHM CCN(CC)Cc1c([O-])cc(C)cc1Cl ZINC000840907558 587928680 /nfs/dbraw/zinc/92/86/80/587928680.db2.gz HHIQFBWQJGLNIJ-UHFFFAOYSA-N -1 3 227.735 3.196 20 10 BGCDHM CCN(Cc1c([O-])cc(C)cc1Cl)C1CC1 ZINC000840909526 587929393 /nfs/dbraw/zinc/92/93/93/587929393.db2.gz FAHKANBABKYSCE-UHFFFAOYSA-N -1 3 239.746 3.338 20 10 BGCDHM Cc1cc([O-])c(CN(C)CC(F)F)c(Cl)c1 ZINC000840912751 587929879 /nfs/dbraw/zinc/92/98/79/587929879.db2.gz VEDNXNIBRMIYMG-UHFFFAOYSA-N -1 3 249.688 3.051 20 10 BGCDHM Cc1cc([O-])c(CN(C)C2CCC2)c(Cl)c1 ZINC000840917810 587929558 /nfs/dbraw/zinc/92/95/58/587929558.db2.gz NFNYOEAGWAEJMA-UHFFFAOYSA-N -1 3 239.746 3.338 20 10 BGCDHM Cc1cc([O-])c(CN2CCC2(C)C)c(Cl)c1 ZINC000840918365 587929809 /nfs/dbraw/zinc/92/98/09/587929809.db2.gz TYFAYNFYSALTEJ-UHFFFAOYSA-N -1 3 239.746 3.338 20 10 BGCDHM Cc1cc([O-])c(CN2CC=CCC2)c(Cl)c1 ZINC000840936499 587930519 /nfs/dbraw/zinc/93/05/19/587930519.db2.gz KGQZLGSZRCBFLS-UHFFFAOYSA-N -1 3 237.730 3.116 20 10 BGCDHM Cc1cc([O-])c(CN2[C@H](C)C[C@@H]2C)c(Cl)c1 ZINC000840940607 587930813 /nfs/dbraw/zinc/93/08/13/587930813.db2.gz AFMZFPXTOSJLFT-AOOOYVTPSA-N -1 3 239.746 3.337 20 10 BGCDHM Cc1cc([O-])c(CN2[C@H](C)C[C@H]2C)c(Cl)c1 ZINC000840940609 587930780 /nfs/dbraw/zinc/93/07/80/587930780.db2.gz AFMZFPXTOSJLFT-NXEZZACHSA-N -1 3 239.746 3.337 20 10 BGCDHM Cc1cc([O-])c(CN2[C@@H](C)C[C@@H]2C)c(Cl)c1 ZINC000840940611 587930894 /nfs/dbraw/zinc/93/08/94/587930894.db2.gz AFMZFPXTOSJLFT-UWVGGRQHSA-N -1 3 239.746 3.337 20 10 BGCDHM Cc1cc([O-])c(CNCC(C)(F)F)c(Cl)c1 ZINC000840948651 583177380 /nfs/dbraw/zinc/17/73/80/583177380.db2.gz HIFBICGTGOGQNG-UHFFFAOYSA-N -1 3 249.688 3.099 20 10 BGCDHM CC[C@H]1CCN1Cc1c([O-])cc(C)cc1Cl ZINC000840951261 587931730 /nfs/dbraw/zinc/93/17/30/587931730.db2.gz ZGYRYICCDYZECY-JTQLQIEISA-N -1 3 239.746 3.338 20 10 BGCDHM CC[C@@H]1CCN1Cc1c([O-])cc(C)cc1Cl ZINC000840951262 587932057 /nfs/dbraw/zinc/93/20/57/587932057.db2.gz ZGYRYICCDYZECY-SNVBAGLBSA-N -1 3 239.746 3.338 20 10 BGCDHM CCC1CN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840953282 587931906 /nfs/dbraw/zinc/93/19/06/587931906.db2.gz NZDPLXAFFZOOFS-UHFFFAOYSA-N -1 3 239.746 3.196 20 10 BGCDHM C[C@@H](NCC(C)(F)F)c1ccc(Cl)cc1[O-] ZINC000841759398 587974535 /nfs/dbraw/zinc/97/45/35/587974535.db2.gz ZDVHARDOZYJDEF-SSDOTTSWSA-N -1 3 249.688 3.351 20 10 BGCDHM C[C@H](NCC(C)(F)F)c1ccc(Cl)cc1[O-] ZINC000841759400 587974422 /nfs/dbraw/zinc/97/44/22/587974422.db2.gz ZDVHARDOZYJDEF-ZETCQYMHSA-N -1 3 249.688 3.351 20 10 BGCDHM CN(Cc1c([O-])ccc(Cl)c1F)C(C)(C)C ZINC000843431744 588109171 /nfs/dbraw/zinc/10/91/71/588109171.db2.gz YERNKYJFQIGQOV-UHFFFAOYSA-N -1 3 245.725 3.415 20 10 BGCDHM CC(C)(C)C(F)(F)CNCc1ccccc1[O-] ZINC000850409628 588544266 /nfs/dbraw/zinc/54/42/66/588544266.db2.gz DRTYWNYFCUQYKD-UHFFFAOYSA-N -1 3 243.297 3.163 20 10 BGCDHM CN(CC=C(Cl)Cl)Cc1ccccc1[O-] ZINC000851841363 588634318 /nfs/dbraw/zinc/63/43/18/588634318.db2.gz PMNNWZQMZAUQHC-UHFFFAOYSA-N -1 3 246.137 3.143 20 10 BGCDHM CCC(CC)N(CC)C(=O)c1cc([O-])cs1 ZINC000854488493 588789417 /nfs/dbraw/zinc/78/94/17/588789417.db2.gz DDIZHDVHFYXVGC-UHFFFAOYSA-N -1 3 241.356 3.104 20 10 BGCDHM CC(C)(C)C(C)(C)NC(=O)c1cc([O-])cs1 ZINC000854637501 588798707 /nfs/dbraw/zinc/79/87/07/588798707.db2.gz DTQCYIFQSIDOBJ-UHFFFAOYSA-N -1 3 241.356 3.008 20 10 BGCDHM CCC(C)(C)[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000855364644 588829515 /nfs/dbraw/zinc/82/95/15/588829515.db2.gz ALIGENYKSYKFES-MRVPVSSYSA-N -1 3 241.356 3.008 20 10 BGCDHM CCC(C)(C)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000855364645 588829486 /nfs/dbraw/zinc/82/94/86/588829486.db2.gz ALIGENYKSYKFES-QMMMGPOBSA-N -1 3 241.356 3.008 20 10 BGCDHM CC(C)(F)CNCc1c([O-])ccc(Cl)c1F ZINC000865653090 645722133 /nfs/dbraw/zinc/72/21/33/645722133.db2.gz OCUWXBDDAPAYAN-UHFFFAOYSA-N -1 3 249.688 3.022 20 10 BGCDHM Cc1cc([O-])c(CNCC(C)(C)F)c(Cl)c1 ZINC000865653786 589454726 /nfs/dbraw/zinc/45/47/26/589454726.db2.gz ZHBCANLEKFVEBB-UHFFFAOYSA-N -1 3 245.725 3.192 20 10 BGCDHM C[C@@H](NCC(C)(C)F)c1cc(F)cc(F)c1[O-] ZINC000866408837 589491235 /nfs/dbraw/zinc/49/12/35/589491235.db2.gz PISHYHUKKZCDKH-SSDOTTSWSA-N -1 3 247.260 3.069 20 10 BGCDHM C[C@H](NCC(C)(C)F)c1cc(F)cc(F)c1[O-] ZINC000866408838 589491015 /nfs/dbraw/zinc/49/10/15/589491015.db2.gz PISHYHUKKZCDKH-ZETCQYMHSA-N -1 3 247.260 3.069 20 10 BGCDHM CCC(C)(C)CCNC(=O)c1cc([O-])cs1 ZINC000870291645 589655875 /nfs/dbraw/zinc/65/58/75/589655875.db2.gz KAZKFNOJGINIHE-UHFFFAOYSA-N -1 3 241.356 3.010 20 10 BGCDHM CCN(Cc1ccc(C)cc1[O-])CC(F)(F)F ZINC000876612565 590221843 /nfs/dbraw/zinc/22/18/43/590221843.db2.gz PPWFVVUQJBBIGA-UHFFFAOYSA-N -1 3 247.260 3.085 20 10 BGCDHM CCN(Cc1c(C)cccc1[O-])CC(F)(F)F ZINC000876612720 590221761 /nfs/dbraw/zinc/22/17/61/590221761.db2.gz VDFRYOARDULSPR-UHFFFAOYSA-N -1 3 247.260 3.085 20 10 BGCDHM CCCN(Cc1ccc(C)cc1[O-])CC(F)F ZINC000876656475 590226604 /nfs/dbraw/zinc/22/66/04/590226604.db2.gz BGVYXZWFNAASLK-UHFFFAOYSA-N -1 3 243.297 3.178 20 10 BGCDHM CCCN(Cc1c(C)cccc1[O-])CC(F)F ZINC000876657233 590226770 /nfs/dbraw/zinc/22/67/70/590226770.db2.gz LYHKTWWAVDLBGJ-UHFFFAOYSA-N -1 3 243.297 3.178 20 10 BGCDHM Cc1ccc(CN(CC(F)F)C(C)C)c([O-])c1 ZINC000876811046 590245315 /nfs/dbraw/zinc/24/53/15/590245315.db2.gz GKXAZXIMJKSLGB-UHFFFAOYSA-N -1 3 243.297 3.176 20 10 BGCDHM CC[C@H](NCc1ccc(C)cc1[O-])C(F)(F)F ZINC000877467938 590333180 /nfs/dbraw/zinc/33/31/80/590333180.db2.gz UKOCHAXZYHTDMG-NSHDSACASA-N -1 3 247.260 3.131 20 10 BGCDHM Cc1cccc([O-])c1CN[C@@H](C)c1cscn1 ZINC000877624262 583339733 /nfs/dbraw/zinc/33/97/33/583339733.db2.gz COSJIELJEFYEAF-JTQLQIEISA-N -1 3 248.351 3.008 20 10 BGCDHM Cc1cccc([O-])c1CN[C@H](C)c1cscn1 ZINC000877624263 583339475 /nfs/dbraw/zinc/33/94/75/583339475.db2.gz COSJIELJEFYEAF-SNVBAGLBSA-N -1 3 248.351 3.008 20 10 BGCDHM Cc1ccc(CN[C@@H](C)c2cscn2)c([O-])c1 ZINC000877624932 590377043 /nfs/dbraw/zinc/37/70/43/590377043.db2.gz ISMGIBNNEVIVTK-JTQLQIEISA-N -1 3 248.351 3.008 20 10 BGCDHM Cc1ccc(CN[C@H](C)c2cscn2)c([O-])c1 ZINC000877624933 590377002 /nfs/dbraw/zinc/37/70/02/590377002.db2.gz ISMGIBNNEVIVTK-SNVBAGLBSA-N -1 3 248.351 3.008 20 10 BGCDHM CC(C)(F)CNCc1cc(Cl)cc(F)c1[O-] ZINC000877663619 590388841 /nfs/dbraw/zinc/38/88/41/590388841.db2.gz WDOIWFWEBOJZHM-UHFFFAOYSA-N -1 3 249.688 3.022 20 10 BGCDHM CC(C)(F)CNCc1cc(Cl)c(F)cc1[O-] ZINC000877663641 590388239 /nfs/dbraw/zinc/38/82/39/590388239.db2.gz WSNUJBLSKCOJTE-UHFFFAOYSA-N -1 3 249.688 3.022 20 10 BGCDHM Cc1cc(CN2Cc3cccc([O-])c3C2)cs1 ZINC000877702595 590395761 /nfs/dbraw/zinc/39/57/61/590395761.db2.gz CVTMNJWJGZPRDT-UHFFFAOYSA-N -1 3 245.347 3.278 20 10 BGCDHM CCc1ccc(CN2Cc3cccc([O-])c3C2)o1 ZINC000877702762 590396764 /nfs/dbraw/zinc/39/67/64/590396764.db2.gz GVBYJZUZOZICDN-UHFFFAOYSA-N -1 3 243.306 3.063 20 10 BGCDHM Cc1sccc1CN1Cc2cccc([O-])c2C1 ZINC000877703120 590396684 /nfs/dbraw/zinc/39/66/84/590396684.db2.gz SBZLOAZZPVVMKV-UHFFFAOYSA-N -1 3 245.347 3.278 20 10 BGCDHM Cc1cc(CN2Cc3cccc([O-])c3C2)c(C)o1 ZINC000877703235 590396101 /nfs/dbraw/zinc/39/61/01/590396101.db2.gz XPFKIWZXNZBEKR-UHFFFAOYSA-N -1 3 243.306 3.118 20 10 BGCDHM CCC[C@@H](C)CCNC(=O)c1cc([O-])cs1 ZINC000881530807 591231293 /nfs/dbraw/zinc/23/12/93/591231293.db2.gz YTCYFSBIUGSEPX-SECBINFHSA-N -1 3 241.356 3.010 20 10 BGCDHM CCC[C@H](C)CCNC(=O)c1cc([O-])cs1 ZINC000881530808 591231007 /nfs/dbraw/zinc/23/10/07/591231007.db2.gz YTCYFSBIUGSEPX-VIFPVBQESA-N -1 3 241.356 3.010 20 10 BGCDHM C[C@H](N[C@@H](C)C(F)F)c1cc(Cl)ccc1[O-] ZINC000883399604 591646061 /nfs/dbraw/zinc/64/60/61/591646061.db2.gz ROGJPUZOSAHFIK-BQBZGAKWSA-N -1 3 249.688 3.350 20 10 BGCDHM C[C@@H](N[C@@H](C)c1cc(Cl)ccc1[O-])C(F)F ZINC000883399605 591645808 /nfs/dbraw/zinc/64/58/08/591645808.db2.gz ROGJPUZOSAHFIK-NKWVEPMBSA-N -1 3 249.688 3.350 20 10 BGCDHM C[C@@H](N[C@H](C)C(F)F)c1cc(Cl)ccc1[O-] ZINC000883399606 591646333 /nfs/dbraw/zinc/64/63/33/591646333.db2.gz ROGJPUZOSAHFIK-RNFRBKRXSA-N -1 3 249.688 3.350 20 10 BGCDHM C[C@@H](N[C@@H](C)C(F)F)c1cc(Cl)ccc1[O-] ZINC000883399607 591646111 /nfs/dbraw/zinc/64/61/11/591646111.db2.gz ROGJPUZOSAHFIK-RQJHMYQMSA-N -1 3 249.688 3.350 20 10 BGCDHM CC[C@@H](N[C@H](C)C(F)F)c1ccc(F)cc1[O-] ZINC000883400179 591648115 /nfs/dbraw/zinc/64/81/15/591648115.db2.gz GKIOWNKQORTXQZ-GMSGAONNSA-N -1 3 247.260 3.226 20 10 BGCDHM CC[C@@H](N[C@@H](C)C(F)F)c1ccc(F)cc1[O-] ZINC000883400180 591647001 /nfs/dbraw/zinc/64/70/01/591647001.db2.gz GKIOWNKQORTXQZ-OIBJUYFYSA-N -1 3 247.260 3.226 20 10 BGCDHM CC[C@H](N[C@H](C)C(F)F)c1ccc(F)cc1[O-] ZINC000883400181 591647161 /nfs/dbraw/zinc/64/71/61/591647161.db2.gz GKIOWNKQORTXQZ-XCBNKYQSSA-N -1 3 247.260 3.226 20 10 BGCDHM CC[C@H](N[C@@H](C)C(F)F)c1ccc(F)cc1[O-] ZINC000883400182 591647064 /nfs/dbraw/zinc/64/70/64/591647064.db2.gz GKIOWNKQORTXQZ-XVKPBYJWSA-N -1 3 247.260 3.226 20 10 BGCDHM C[C@H](N[C@@H](C)C(F)F)c1ccc(Cl)cc1[O-] ZINC000883400300 591647332 /nfs/dbraw/zinc/64/73/32/591647332.db2.gz JBCIXVZISPFWKS-BQBZGAKWSA-N -1 3 249.688 3.350 20 10 BGCDHM C[C@@H](N[C@@H](C)c1ccc(Cl)cc1[O-])C(F)F ZINC000883400301 591648023 /nfs/dbraw/zinc/64/80/23/591648023.db2.gz JBCIXVZISPFWKS-NKWVEPMBSA-N -1 3 249.688 3.350 20 10 BGCDHM C[C@@H](N[C@H](C)C(F)F)c1ccc(Cl)cc1[O-] ZINC000883400302 591647344 /nfs/dbraw/zinc/64/73/44/591647344.db2.gz JBCIXVZISPFWKS-RNFRBKRXSA-N -1 3 249.688 3.350 20 10 BGCDHM C[C@@H](N[C@@H](C)C(F)F)c1ccc(Cl)cc1[O-] ZINC000883400303 591646960 /nfs/dbraw/zinc/64/69/60/591646960.db2.gz JBCIXVZISPFWKS-RQJHMYQMSA-N -1 3 249.688 3.350 20 10 BGCDHM CC[C@@H](N[C@@H](C)C(F)F)c1ccc(C)cc1[O-] ZINC000883400460 591647999 /nfs/dbraw/zinc/64/79/99/591647999.db2.gz NDKLRXDVIYWFLS-GXSJLCMTSA-N -1 3 243.297 3.395 20 10 BGCDHM CC[C@H](N[C@H](C)C(F)F)c1ccc(C)cc1[O-] ZINC000883400461 591647367 /nfs/dbraw/zinc/64/73/67/591647367.db2.gz NDKLRXDVIYWFLS-KOLCDFICSA-N -1 3 243.297 3.395 20 10 BGCDHM CC[C@@H](N[C@H](C)C(F)F)c1ccc(C)cc1[O-] ZINC000883400462 591647403 /nfs/dbraw/zinc/64/74/03/591647403.db2.gz NDKLRXDVIYWFLS-MWLCHTKSSA-N -1 3 243.297 3.395 20 10 BGCDHM CC[C@H](N[C@@H](C)C(F)F)c1ccc(C)cc1[O-] ZINC000883400463 591647780 /nfs/dbraw/zinc/64/77/80/591647780.db2.gz NDKLRXDVIYWFLS-ONGXEEELSA-N -1 3 243.297 3.395 20 10 BGCDHM Cc1occc1CN[C@H](C)c1c([O-])cccc1F ZINC000886514146 592240591 /nfs/dbraw/zinc/24/05/91/592240591.db2.gz IBZLGKVOKXLBSL-SECBINFHSA-N -1 3 249.285 3.284 20 10 BGCDHM Cc1occc1CN[C@@H](C)c1c([O-])cccc1F ZINC000886514147 592240562 /nfs/dbraw/zinc/24/05/62/592240562.db2.gz IBZLGKVOKXLBSL-VIFPVBQESA-N -1 3 249.285 3.284 20 10 BGCDHM Cc1ccoc1CN[C@@H](C)c1c([O-])cccc1F ZINC000886613802 592275774 /nfs/dbraw/zinc/27/57/74/592275774.db2.gz FNIAQTSGKHCLAE-JTQLQIEISA-N -1 3 249.285 3.284 20 10 BGCDHM Cc1ccoc1CN[C@H](C)c1c([O-])cccc1F ZINC000886613803 592276305 /nfs/dbraw/zinc/27/63/05/592276305.db2.gz FNIAQTSGKHCLAE-SNVBAGLBSA-N -1 3 249.285 3.284 20 10 BGCDHM Cc1ccc(CN[C@@H](C)c2c([O-])cccc2F)o1 ZINC000886646727 592289456 /nfs/dbraw/zinc/28/94/56/592289456.db2.gz RKXCZSIOKXGRJS-JTQLQIEISA-N -1 3 249.285 3.284 20 10 BGCDHM Cc1ccc(CN[C@H](C)c2c([O-])cccc2F)o1 ZINC000886646728 592289243 /nfs/dbraw/zinc/28/92/43/592289243.db2.gz RKXCZSIOKXGRJS-SNVBAGLBSA-N -1 3 249.285 3.284 20 10 BGCDHM Cc1cc([O-])c(CN[C@H](C)C(F)F)cc1Cl ZINC000895725927 636175689 /nfs/dbraw/zinc/17/56/89/636175689.db2.gz VRZNBFYUMAKTNH-SSDOTTSWSA-N -1 3 249.688 3.097 20 10 BGCDHM Cc1cc([O-])c(CN[C@@H](C)C(F)F)cc1Cl ZINC000895725929 636175099 /nfs/dbraw/zinc/17/50/99/636175099.db2.gz VRZNBFYUMAKTNH-ZETCQYMHSA-N -1 3 249.688 3.097 20 10 BGCDHM Cc1cc([O-])c(CN(C)CCCF)c(Cl)c1 ZINC000895895936 583743220 /nfs/dbraw/zinc/74/32/20/583743220.db2.gz ITJQSBNGOSNTNT-UHFFFAOYSA-N -1 3 245.725 3.145 20 10 BGCDHM Cc1cc(CNCc2c([O-])cccc2F)c(C)o1 ZINC000896639690 583820223 /nfs/dbraw/zinc/82/02/23/583820223.db2.gz DEUIBJKPKIOHIZ-UHFFFAOYSA-N -1 3 249.285 3.031 20 10 BGCDHM Cc1cc([O-])c(CNC/C=C\Cl)c(Cl)c1 ZINC000898428472 584133043 /nfs/dbraw/zinc/13/30/43/584133043.db2.gz IAARTRKBKZITCZ-IHWYPQMZSA-N -1 3 246.137 3.196 20 10 BGCDHM Cc1cc([O-])c(CNC/C=C/Cl)c(Cl)c1 ZINC000898428473 584132840 /nfs/dbraw/zinc/13/28/40/584132840.db2.gz IAARTRKBKZITCZ-NSCUHMNNSA-N -1 3 246.137 3.196 20 10 BGCDHM