smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1cccc(Cl)c1[O-] ZINC000736419588 1044941594 /nfs/dbraw/zinc/94/15/94/1044941594.db2.gz WCVYFYUAUNKUAX-HJWRWDBZSA-N -2 0 344.219 4.112 20 0 EIADRL Cc1c(NCc2cc(Cl)cc(Cl)c2[O-])cccc1C(=O)[O-] ZINC000037122702 1049660607 /nfs/dbraw/zinc/66/06/07/1049660607.db2.gz ARLDMINQOLEBRF-UHFFFAOYSA-N -2 0 326.179 4.318 20 0 EIADRL O=C([O-])C/C(=C/c1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC000158292552 1051738287 /nfs/dbraw/zinc/73/82/87/1051738287.db2.gz BSRLRGMCDBYOSW-LCYFTJDESA-N -2 0 339.372 4.010 20 0 EIADRL O=C([O-])c1cc(Nc2ccc(Cl)c3cccnc23)cc(C(=O)[O-])c1 ZINC001176243876 1051973784 /nfs/dbraw/zinc/97/37/84/1051973784.db2.gz DYNHJTUEHAUOHE-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL O=C([O-])C=Cc1cccc(Nc2c(Cl)c(=O)[n-]c(F)c2Cl)c1 ZINC001174494813 1051000430 /nfs/dbraw/zinc/00/04/30/1051000430.db2.gz IYWOVPUABUCFRL-SNAWJCMRSA-N -2 0 343.141 4.075 20 0 EIADRL COc1cc(Nc2cc(C(F)(F)F)ccc2[S-])ccc1C(=O)[O-] ZINC001174684808 1051119807 /nfs/dbraw/zinc/11/98/07/1051119807.db2.gz GTNPASAJIVYFEY-UHFFFAOYSA-N -2 0 343.326 4.445 20 0 EIADRL Cc1nc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c(C)cc2s1 ZINC001176243772 1051972523 /nfs/dbraw/zinc/97/25/23/1051972523.db2.gz DHNLAPBIVQNVHL-UHFFFAOYSA-N -2 0 342.376 4.053 20 0 EIADRL O=C([O-])c1ccc(NC(=S)Nc2c([S-])cccc2Cl)cc1 ZINC001197119770 1053841172 /nfs/dbraw/zinc/84/11/72/1053841172.db2.gz SXBMZUVBARFMJG-UHFFFAOYSA-N -2 0 338.841 4.136 20 0 EIADRL O=C([O-])c1cc(Nc2cnc3ccc(Cl)cc3c2)cc(C(=O)[O-])c1 ZINC001176240159 1051971718 /nfs/dbraw/zinc/97/17/18/1051971718.db2.gz VROHZFDXOKJCTR-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL O=C([O-])c1cc(Nc2ccc(Cl)c3ncccc23)cc(C(=O)[O-])c1 ZINC001176244256 1051972063 /nfs/dbraw/zinc/97/20/63/1051972063.db2.gz IZVOZFDHFJRLIR-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL CC(C)COc1c(F)cccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244257 1051973489 /nfs/dbraw/zinc/97/34/89/1051973489.db2.gz IZADHTLHEQNKOQ-UHFFFAOYSA-N -2 0 347.342 4.001 20 0 EIADRL O=C([O-])c1cc(Nc2ccc(Br)cc2[S-])cs1 ZINC001176440014 1052057869 /nfs/dbraw/zinc/05/78/69/1052057869.db2.gz FBDDKOLLXOLJKQ-UHFFFAOYSA-N -2 0 330.228 4.241 20 0 EIADRL O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1cccc(Cl)c1[O-] ZINC000736418299 1044940861 /nfs/dbraw/zinc/94/08/61/1044940861.db2.gz DTXJKGIKOBAHSD-HJWRWDBZSA-N -2 0 344.219 4.112 20 0 EIADRL Cc1c(Cl)cc(NC(=O)c2ccc([O-])c(F)c2F)c([O-])c1Cl ZINC001192841539 1051820903 /nfs/dbraw/zinc/82/09/03/1051820903.db2.gz QEWSWGQEHMBNQC-UHFFFAOYSA-N -2 0 348.132 4.244 20 0 EIADRL O=C([O-])c1cc(Nc2c(Cl)ncc3ccccc32)cc(C(=O)[O-])c1 ZINC001176238074 1051971282 /nfs/dbraw/zinc/97/12/82/1051971282.db2.gz JDNZZUPKKKAFBU-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL O=C([O-])c1cc(Nc2ccc3cnccc3c2Cl)cc(C(=O)[O-])c1 ZINC001176243677 1051973506 /nfs/dbraw/zinc/97/35/06/1051973506.db2.gz BMMHVFDOXSHGPO-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL O=C([O-])c1cc(Nc2ccc(F)c3ccccc23)cc(C(=O)[O-])c1 ZINC001176244134 1051973759 /nfs/dbraw/zinc/97/37/59/1051973759.db2.gz GKVOGWUSPUOHFH-UHFFFAOYSA-N -2 0 325.295 4.119 20 0 EIADRL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc([O-])c(Cl)c1 ZINC000230872396 1044829848 /nfs/dbraw/zinc/82/98/48/1044829848.db2.gz FZEFLRMALPKAIC-UHFFFAOYSA-N -2 0 332.570 4.310 20 0 EIADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174955017 1051272931 /nfs/dbraw/zinc/27/29/31/1051272931.db2.gz XYCUWLGUKLMHMS-GOSISDBHSA-N -2 0 341.407 4.272 20 0 EIADRL O=C([O-])c1cc(Nc2ccc(F)c(Cl)c2Cl)cc(C(=O)[O-])c1 ZINC001176244895 1051973093 /nfs/dbraw/zinc/97/30/93/1051973093.db2.gz TUZDEQVZNUPNAZ-UHFFFAOYSA-N -2 0 344.125 4.273 20 0 EIADRL O=C([O-])C=Cc1ccc(Nc2c(Cl)c(=O)[n-]c(F)c2Cl)cc1 ZINC001176590168 1052122411 /nfs/dbraw/zinc/12/24/11/1052122411.db2.gz SVUGPLQCSJIAAU-ZZXKWVIFSA-N -2 0 343.141 4.075 20 0 EIADRL CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174955018 1051273914 /nfs/dbraw/zinc/27/39/14/1051273914.db2.gz XYCUWLGUKLMHMS-SFHVURJKSA-N -2 0 341.407 4.272 20 0 EIADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001175222582 1051452769 /nfs/dbraw/zinc/45/27/69/1051452769.db2.gz XGMUHPPBVBJWJH-MRXNPFEDSA-N -2 0 345.370 4.482 20 0 EIADRL O=C([O-])c1cncc(Nc2cc(Cl)c(Cl)c(Cl)c2[O-])c1 ZINC001175846621 1051801293 /nfs/dbraw/zinc/80/12/93/1051801293.db2.gz JAVSJKJDQTUHJY-UHFFFAOYSA-N -2 0 333.558 4.189 20 0 EIADRL O=C(Cc1ccc([S-])cc1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001183188153 1051802387 /nfs/dbraw/zinc/80/23/87/1051802387.db2.gz FUXACIIWLVANMN-UHFFFAOYSA-N -2 0 332.475 4.055 20 0 EIADRL O=C([O-])c1cc(Nc2cccc(Cl)c2Cl)cc(C(=O)[O-])c1 ZINC001176241921 1051970487 /nfs/dbraw/zinc/97/04/87/1051970487.db2.gz FHYMKJFPSSREQL-UHFFFAOYSA-N -2 0 326.135 4.133 20 0 EIADRL O=C([O-])c1cc(Nc2c(Cl)ccc3ncccc32)cc(C(=O)[O-])c1 ZINC001176242371 1051971588 /nfs/dbraw/zinc/97/15/88/1051971588.db2.gz VGSORYAMRZOMPG-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL O=C([O-])c1cc(Nc2ccc3nccc(Cl)c3c2)cc(C(=O)[O-])c1 ZINC001176245024 1051973368 /nfs/dbraw/zinc/97/33/68/1051973368.db2.gz QIUNSLGXVNVEEL-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2csc(C(=O)[O-])c2)cc1 ZINC001176441406 1052059243 /nfs/dbraw/zinc/05/92/43/1052059243.db2.gz URIWCVIVPQVEKB-CQSZACIVSA-N -2 0 333.409 4.404 20 0 EIADRL Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1cncc(C(F)F)c1 ZINC000657206217 1025293418 /nfs/dbraw/zinc/29/34/18/1025293418.db2.gz BPJQRRSUZWVIIG-UHFFFAOYSA-N -2 0 349.333 4.028 20 0 EIADRL O=C([O-])c1ccc2oc(/C=C/c3cccc(C(=O)[O-])c3Cl)nc2c1 ZINC000439283967 1042573023 /nfs/dbraw/zinc/57/30/23/1042573023.db2.gz ZZWBKXPAPFQLKN-FNORWQNLSA-N -2 0 343.722 4.048 20 0 EIADRL O=C([O-])c1cc(Nc2ccc(Br)cc2[S-])ccc1F ZINC001175222059 1051453622 /nfs/dbraw/zinc/45/36/22/1051453622.db2.gz QERMDTRDLVVIDI-UHFFFAOYSA-N -2 0 342.189 4.319 20 0 EIADRL Cc1c(Cl)cc(NC(=O)c2c(F)ccc(F)c2[O-])c([O-])c1Cl ZINC001192716251 1051804568 /nfs/dbraw/zinc/80/45/68/1051804568.db2.gz KITQHIZJBSZCEL-UHFFFAOYSA-N -2 0 348.132 4.244 20 0 EIADRL O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1cccc(Cl)c1[O-] ZINC000184239444 1051892490 /nfs/dbraw/zinc/89/24/90/1051892490.db2.gz SRDMAOIEDYXCLY-BQYQJAHWSA-N -2 0 344.219 4.112 20 0 EIADRL O=C([O-])c1cc(Nc2cc(Cl)c3ncccc3c2)cc(C(=O)[O-])c1 ZINC001176244220 1051973474 /nfs/dbraw/zinc/97/34/74/1051973474.db2.gz ILVYFVGJRVVKHC-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL O=C([O-])C1(c2ccc(Nc3ccc4[n-]c(=S)sc4c3)cc2)CC1 ZINC001176590407 1052124565 /nfs/dbraw/zinc/12/45/65/1052124565.db2.gz SBYCDDLDKIZYGC-UHFFFAOYSA-N -2 0 342.445 4.445 20 0 EIADRL O=C(Nc1cccc(Cl)c1[O-])c1c([O-])cc(Cl)cc1Cl ZINC000436603046 1041368141 /nfs/dbraw/zinc/36/81/41/1041368141.db2.gz KZUMUJAHNXKJGA-UHFFFAOYSA-N -2 0 332.570 4.310 20 0 EIADRL O=C([O-])c1cc(Nc2ccccc2OC2CCCC2)cc(C(=O)[O-])c1 ZINC001176241817 1051970202 /nfs/dbraw/zinc/97/02/02/1051970202.db2.gz ZKNQVMVCUBJANL-UHFFFAOYSA-N -2 0 341.363 4.148 20 0 EIADRL O=C([O-])c1cc(Nc2cnc3c(Cl)cccc3c2)cc(C(=O)[O-])c1 ZINC001176238539 1051970980 /nfs/dbraw/zinc/97/09/80/1051970980.db2.gz IFORVWLYDQZNJA-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL O=C([O-])c1cc(Nc2ccc3c(ccnc3Cl)c2)cc(C(=O)[O-])c1 ZINC001176244070 1051972758 /nfs/dbraw/zinc/97/27/58/1051972758.db2.gz GIIAWZDJCDQGPL-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL CC(C)Sc1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244901 1051973076 /nfs/dbraw/zinc/97/30/76/1051973076.db2.gz TYNYWFBUCOILDX-UHFFFAOYSA-N -2 0 331.393 4.327 20 0 EIADRL CCC[C@H]1CC[C@H](c2ccc(NCCOP(=O)([O-])[O-])cc2)CC1 ZINC001168591252 1054883541 /nfs/dbraw/zinc/88/35/41/1054883541.db2.gz LJLXFJQRMPIVCV-SHTZXODSSA-N -2 0 341.388 4.282 20 0 EIADRL O=C([O-])c1ccc2nc(/C=C/c3cccc(C(=O)[O-])c3Cl)oc2c1 ZINC000439276025 1042571051 /nfs/dbraw/zinc/57/10/51/1042571051.db2.gz PVIAEODKHLLCRI-FNORWQNLSA-N -2 0 343.722 4.048 20 0 EIADRL O=C([O-])c1cc(Nc2ccc(-c3ccc(O)cc3)cc2)cc(C(=O)[O-])c1 ZINC001176242557 1051970535 /nfs/dbraw/zinc/97/05/35/1051970535.db2.gz ZYNXWQGHQSGEMD-UHFFFAOYSA-N -2 0 349.342 4.199 20 0 EIADRL O=C([O-])c1cc(Nc2ccc(Cl)c(Cl)c2F)cc(C(=O)[O-])c1 ZINC001176242028 1051970892 /nfs/dbraw/zinc/97/08/92/1051970892.db2.gz KKEPRBXASCXYLX-UHFFFAOYSA-N -2 0 344.125 4.273 20 0 EIADRL O=C([O-])c1cc(Nc2cc(Cl)cc3cccnc32)cc(C(=O)[O-])c1 ZINC001176245354 1051973706 /nfs/dbraw/zinc/97/37/06/1051973706.db2.gz XNSKEZOBKANFHL-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001176715570 1052188176 /nfs/dbraw/zinc/18/81/76/1052188176.db2.gz QBQZBSUDJVRFFM-MRXNPFEDSA-N -2 0 327.380 4.343 20 0 EIADRL O=C([O-])C/C(=C\c1ccc([O-])c(Cl)c1)c1nc2ccccc2o1 ZINC000436565220 1041346834 /nfs/dbraw/zinc/34/68/34/1041346834.db2.gz SSUCQRIDBUNMBO-YRNVUSSQSA-N -2 0 329.739 4.202 20 0 EIADRL Nc1ccccc1-c1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241857 1051971358 /nfs/dbraw/zinc/97/13/58/1051971358.db2.gz BEJPKFJPCIHHON-UHFFFAOYSA-N -2 0 348.358 4.076 20 0 EIADRL O=C([O-])c1cc(Nc2cccc3cc(Cl)cnc32)cc(C(=O)[O-])c1 ZINC001176242047 1051971442 /nfs/dbraw/zinc/97/14/42/1051971442.db2.gz LFHVZIHRJFWGEY-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL Cc1cc(CNc2cc([S-])cc([S-])c2)ncc1Br ZINC001169201988 1060684537 /nfs/dbraw/zinc/68/45/37/1060684537.db2.gz RTFCHPXLUUYIRZ-UHFFFAOYSA-N -2 0 341.299 4.342 20 0 EIADRL O=C([O-])C1(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CCCCCC1 ZINC000663039583 1024631709 /nfs/dbraw/zinc/63/17/09/1024631709.db2.gz KCMXWSVKGDBKKS-UHFFFAOYSA-N -2 0 346.210 4.063 20 0 EIADRL O=C([O-])c1cccc2oc(/C=C/c3cccc(C(=O)[O-])c3Cl)nc21 ZINC000439278889 1042571674 /nfs/dbraw/zinc/57/16/74/1042571674.db2.gz XULAORDAQDNDGC-BQYQJAHWSA-N -2 0 343.722 4.048 20 0 EIADRL COc1cc(C(=O)[O-])ccc1Nc1ccc2[n-]c(=S)sc2c1 ZINC001174677299 1051114382 /nfs/dbraw/zinc/11/43/82/1051114382.db2.gz VKDGZNFCSIFYFE-UHFFFAOYSA-N -2 0 332.406 4.035 20 0 EIADRL O=C([O-])c1ccc(Nc2ccc(Br)cc2[S-])cc1F ZINC001175159678 1051388439 /nfs/dbraw/zinc/38/84/39/1051388439.db2.gz DPDFPJFVEYYMTO-UHFFFAOYSA-N -2 0 342.189 4.319 20 0 EIADRL O=C([O-])c1cc(Nc2cccc3c(Cl)nccc23)cc(C(=O)[O-])c1 ZINC001176241900 1051970664 /nfs/dbraw/zinc/97/06/64/1051970664.db2.gz CYQNPLQCDJEQEC-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL O=C([O-])c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000013343479 1044691952 /nfs/dbraw/zinc/69/19/52/1044691952.db2.gz ZOMGSIHGQDOTCF-SDNWHVSQSA-N -2 0 345.354 4.118 20 0 EIADRL O=C([O-])c1cc(NCc2cc(Cl)cc(Cl)c2[O-])ccc1F ZINC000037088631 1049658725 /nfs/dbraw/zinc/65/87/25/1049658725.db2.gz XCEOSOUTXGLDFZ-UHFFFAOYSA-N -2 0 330.142 4.148 20 0 EIADRL Nc1cccc(N(c2ccccc2)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176244085 1051973580 /nfs/dbraw/zinc/97/35/80/1051973580.db2.gz HHBCIKXYQKYWPI-UHFFFAOYSA-N -2 0 348.358 4.135 20 0 EIADRL CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001175222581 1051452978 /nfs/dbraw/zinc/45/29/78/1051452978.db2.gz XGMUHPPBVBJWJH-INIZCTEOSA-N -2 0 345.370 4.482 20 0 EIADRL O=C(Cc1ccc([S-])cc1)Nc1c(Cl)ccc([O-])c1Cl ZINC001183188988 1051801912 /nfs/dbraw/zinc/80/19/12/1051801912.db2.gz ONYRYJCNAJOCQH-UHFFFAOYSA-N -2 0 328.220 4.169 20 0 EIADRL [S-]c1cc([S-])cc(NCCc2ccc(Br)cn2)c1 ZINC001168311134 1047820818 /nfs/dbraw/zinc/82/08/18/1047820818.db2.gz LBLQKSNQQKVZQN-UHFFFAOYSA-N -2 0 341.299 4.076 20 0 EIADRL O=C([O-])c1ccc(Nc2ccc3[n-]c(=S)sc3c2)c(F)c1F ZINC001212514556 1043220468 /nfs/dbraw/zinc/22/04/68/1043220468.db2.gz ZLMKKZOHHXKXJU-UHFFFAOYSA-N -2 0 338.360 4.305 20 0 EIADRL COC(=O)[C@@H](Nc1cc([S-])cc([S-])c1)c1ccccc1Cl ZINC001171213567 1048819567 /nfs/dbraw/zinc/81/95/67/1048819567.db2.gz CPRUJYIFBCNCBD-AWEZNQCLSA-N -2 0 339.869 4.244 20 0 EIADRL CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2cccc(C(=O)[O-])c2)cc1 ZINC001175331380 1051537488 /nfs/dbraw/zinc/53/74/88/1051537488.db2.gz PYEAYDHQPXBVLY-INIZCTEOSA-N -2 0 327.380 4.343 20 0 EIADRL O=C([O-])c1cc(Nc2cncc3cc(Cl)ccc32)cc(C(=O)[O-])c1 ZINC001176237849 1051971180 /nfs/dbraw/zinc/97/11/80/1051971180.db2.gz CXOMDHGXLMSYQO-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1c([O-])cccc1Cl ZINC000760428303 1047369217 /nfs/dbraw/zinc/36/92/17/1047369217.db2.gz ZYILZJUIHHQHQD-UHFFFAOYSA-N -2 0 332.570 4.310 20 0 EIADRL O=C(Nc1ccccc1[S-])c1cc(Br)ccc1[S-] ZINC001189961275 1051090064 /nfs/dbraw/zinc/09/00/64/1051090064.db2.gz NTUQKQUWTJIQPQ-UHFFFAOYSA-N -2 0 340.267 4.279 20 0 EIADRL O=C([O-])c1cc(Nc2cc(Cl)ccc2Cl)cc(C(=O)[O-])c1 ZINC001176242471 1051970649 /nfs/dbraw/zinc/97/06/49/1051970649.db2.gz YERKQDDZRRBPMC-UHFFFAOYSA-N -2 0 326.135 4.133 20 0 EIADRL Cc1[nH]c(=O)c(CNc2cc([S-])cc([S-])c2)c2c1CCCC2 ZINC001169402545 1060800014 /nfs/dbraw/zinc/80/00/14/1060800014.db2.gz AESDEECQFGTXIE-UHFFFAOYSA-N -2 0 332.494 4.164 20 0 EIADRL CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175161082 1051390062 /nfs/dbraw/zinc/39/00/62/1051390062.db2.gz RMKVQHJGPUWORV-INIZCTEOSA-N -2 0 345.370 4.482 20 0 EIADRL Cc1c(Cl)cc(NC(=O)c2c([O-])ccc(F)c2F)c([O-])c1Cl ZINC001192763999 1051806140 /nfs/dbraw/zinc/80/61/40/1051806140.db2.gz AMQPRIAGCJFLPY-UHFFFAOYSA-N -2 0 348.132 4.244 20 0 EIADRL O=C([O-])c1cc(Nc2cccc(-c3ccc(O)cc3)c2)cc(C(=O)[O-])c1 ZINC001176245288 1051973770 /nfs/dbraw/zinc/97/37/70/1051973770.db2.gz WUJBKIITYJCTCT-UHFFFAOYSA-N -2 0 349.342 4.199 20 0 EIADRL O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1cccc(Cl)c1[O-] ZINC000588482789 1025180451 /nfs/dbraw/zinc/18/04/51/1025180451.db2.gz SRDMAOIEDYXCLY-FPLPWBNLSA-N -2 0 344.219 4.112 20 0 EIADRL COc1cc(Nc2ccc3[n-]c(=S)sc3c2)ccc1C(=O)[O-] ZINC001174685488 1051121631 /nfs/dbraw/zinc/12/16/31/1051121631.db2.gz PPQGXUSUGPGDSU-UHFFFAOYSA-N -2 0 332.406 4.035 20 0 EIADRL O=C([O-])Cc1ccc(Nc2ccc(Br)cc2[S-])cc1 ZINC001174954985 1051273878 /nfs/dbraw/zinc/27/38/78/1051273878.db2.gz WQDVTZBWFNTJOP-UHFFFAOYSA-N -2 0 338.226 4.109 20 0 EIADRL Nc1ccc(-c2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2)cc1 ZINC001176241258 1051970235 /nfs/dbraw/zinc/97/02/35/1051970235.db2.gz CNMDBXWCLBBRNT-UHFFFAOYSA-N -2 0 348.358 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O=C([O-])c1ccc2oc(/C=C\c3cccc(C(=O)[O-])c3Cl)nc2c1 ZINC000439283966 1042572452 /nfs/dbraw/zinc/57/24/52/1042572452.db2.gz ZZWBKXPAPFQLKN-ALCCZGGFSA-N -2 0 343.722 4.048 20 0 EIADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175161083 1051390845 /nfs/dbraw/zinc/39/08/45/1051390845.db2.gz RMKVQHJGPUWORV-MRXNPFEDSA-N -2 0 345.370 4.482 20 0 EIADRL O=C([O-])c1cc(Nc2cc(Cl)cc(Cl)c2)cc(C(=O)[O-])c1 ZINC001176241889 1051970433 /nfs/dbraw/zinc/97/04/33/1051970433.db2.gz CODZKKJWVPBSDA-UHFFFAOYSA-N -2 0 326.135 4.133 20 0 EIADRL CC(C)COc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1F ZINC001176243630 1051970585 /nfs/dbraw/zinc/97/05/85/1051970585.db2.gz AHGRBCLBEWUUMO-UHFFFAOYSA-N -2 0 347.342 4.001 20 0 EIADRL O=C([O-])c1cc(Nc2cnc3cccc(Cl)c3c2)cc(C(=O)[O-])c1 ZINC001176240192 1051971138 /nfs/dbraw/zinc/97/11/38/1051971138.db2.gz XGYIIJGTZXFRHQ-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL O=C([O-])c1cc(Nc2cnc3ccccc3c2Cl)cc(C(=O)[O-])c1 ZINC001176238457 1051971226 /nfs/dbraw/zinc/97/12/26/1051971226.db2.gz FZHQVCKXOZWHAQ-UHFFFAOYSA-N -2 0 342.738 4.028 20 0 EIADRL O=C([O-])c1cc(Nc2cc(Cl)c(Cl)cc2F)cc(C(=O)[O-])c1 ZINC001176243637 1051973001 /nfs/dbraw/zinc/97/30/01/1051973001.db2.gz ASUIASJWZDREBE-UHFFFAOYSA-N -2 0 344.125 4.273 20 0 EIADRL O=C([O-])C/C(=C\c1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC000463075364 1041317463 /nfs/dbraw/zinc/31/74/63/1041317463.db2.gz BSRLRGMCDBYOSW-UKTHLTGXSA-N -2 0 339.372 4.010 20 0 EIADRL Cc1c(Cl)cc(NC(=O)Cc2ccc([S-])cc2)c([O-])c1Cl ZINC001183190037 1051804165 /nfs/dbraw/zinc/80/41/65/1051804165.db2.gz ZFECXSJRLWAFFT-UHFFFAOYSA-N -2 0 342.247 4.477 20 0 EIADRL CC(C)(C)Oc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176243094 1051970184 /nfs/dbraw/zinc/97/01/84/1051970184.db2.gz CRTNMYFCDRTHGT-UHFFFAOYSA-N -2 0 329.352 4.004 20 0 EIADRL Cc1nc2cc(C)c(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2s1 ZINC001176245348 1051972124 /nfs/dbraw/zinc/97/21/24/1051972124.db2.gz XJWALLFDKAHDEF-UHFFFAOYSA-N -2 0 342.376 4.053 20 0 EIADRL O=C([O-])c1cc(Nc2ccc3cc(F)ccc3c2)cc(C(=O)[O-])c1 ZINC001176243724 1051972741 /nfs/dbraw/zinc/97/27/41/1051972741.db2.gz CEISPQZXFKEGFG-UHFFFAOYSA-N -2 0 325.295 4.119 20 0 EIADRL O=C([O-])c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000612081136 1030845301 /nfs/dbraw/zinc/84/53/01/1030845301.db2.gz ZOMGSIHGQDOTCF-KAMYIIQDSA-N -2 0 345.354 4.118 20 0 EIADRL O=C([O-])c1ccc(Nc2ccc(Br)cc2[S-])s1 ZINC001174807974 1051198541 /nfs/dbraw/zinc/19/85/41/1051198541.db2.gz ORKRSEWUUPQUKW-UHFFFAOYSA-N -2 0 330.228 4.241 20 0 EIADRL O=C([O-])c1cc(Nc2cccc(C(F)F)c2Cl)cc(C(=O)[O-])c1 ZINC001176245334 1051973551 /nfs/dbraw/zinc/97/35/51/1051973551.db2.gz XCKYHFURJZNTCP-UHFFFAOYSA-N -2 0 341.697 4.418 20 0 EIADRL