smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 ZINC000225201597 241808125 /nfs/dbraw/zinc/80/81/25/241808125.db2.gz HLMUKUHJDVXLOZ-UHFFFAOYSA-N -1 1 343.404 3.658 40 0 EHABMM O=C1CC2(CCN(Cc3ccccc3F)CC2)Oc2cc([O-])ccc21 ZINC000225819190 242052767 /nfs/dbraw/zinc/05/27/67/242052767.db2.gz CKEXYSMCYYGFET-UHFFFAOYSA-N -1 1 341.382 3.531 40 0 EHABMM Cc1cc(CCC(=O)[O-])cc([C@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000072367167 203207913 /nfs/dbraw/zinc/20/79/13/203207913.db2.gz VYTWZRMBBFKFQQ-LJQANCHMSA-N -1 1 342.414 3.883 40 0 EHABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1sccc1C ZINC000007601857 564015661 /nfs/dbraw/zinc/01/56/61/564015661.db2.gz NTBHSYKJSFZEAC-UHFFFAOYSA-N -1 1 332.454 3.730 40 0 EHABMM Cc1n[n-]c(=S)n1NCc1ccc(OCc2cccs2)cc1 ZINC000007602739 564015703 /nfs/dbraw/zinc/01/57/03/564015703.db2.gz CDDYRJIQKGXUOV-UHFFFAOYSA-N -1 1 332.454 3.633 40 0 EHABMM O=C(Nc1ccccc1OC(F)(F)C(F)F)c1ccccc1[O-] ZINC000059474396 564050747 /nfs/dbraw/zinc/05/07/47/564050747.db2.gz AXQYMKKVLIQHQU-UHFFFAOYSA-N -1 1 329.249 3.881 40 0 EHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2SCC)cc1 ZINC000022529511 202086726 /nfs/dbraw/zinc/08/67/26/202086726.db2.gz KJOUXUIJOKFUPH-UHFFFAOYSA-N -1 1 337.466 3.998 40 0 EHABMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000036961491 202334389 /nfs/dbraw/zinc/33/43/89/202334389.db2.gz LYEASUOFNAAZTM-UHFFFAOYSA-N -1 1 344.205 3.697 40 0 EHABMM O=C([N-]c1c(F)cccc1F)c1snnc1-c1ccc(F)cc1 ZINC000225779895 242031752 /nfs/dbraw/zinc/03/17/52/242031752.db2.gz QIQYAHIKWPREGU-UHFFFAOYSA-N -1 1 335.310 3.875 40 0 EHABMM CC(C)c1nnc([N-]C(=O)c2ncoc2-c2ccccc2F)s1 ZINC000012115142 563653453 /nfs/dbraw/zinc/65/34/53/563653453.db2.gz ZGIRZICSSKUHJK-UHFFFAOYSA-N -1 1 332.360 3.708 40 0 EHABMM O=C([O-])c1ccc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)o1 ZINC000004434749 564005155 /nfs/dbraw/zinc/00/51/55/564005155.db2.gz CHAUOWLIDFEPDM-UHFFFAOYSA-N -1 1 335.772 3.709 40 0 EHABMM S=c1[n-]ncn1NCc1cccc(OCc2ccccc2Cl)c1 ZINC000007602569 564015731 /nfs/dbraw/zinc/01/57/31/564015731.db2.gz PHBPYAFOVFBTFE-UHFFFAOYSA-N -1 1 346.843 3.917 40 0 EHABMM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2c1 ZINC000224687121 564043450 /nfs/dbraw/zinc/04/34/50/564043450.db2.gz VUXOAAHJBLDJGR-UHFFFAOYSA-N -1 1 327.405 3.958 40 0 EHABMM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]2c2ccncn2)o1 ZINC000257297767 564054959 /nfs/dbraw/zinc/05/49/59/564054959.db2.gz RISPHYKQGFYRKK-GOSISDBHSA-N -1 1 349.390 3.772 40 0 EHABMM Cc1cc(NC(=O)c2ccc([O-])cc2F)cnc1N1CCCC[C@@H]1C ZINC000332526575 1137946349 /nfs/dbraw/zinc/94/63/49/1137946349.db2.gz SHRQEMRBFUJMJE-ZDUSSCGKSA-N -1 1 343.402 3.866 40 0 EHABMM Cc1cc(CCC(=O)[O-])cc([C@H]2CCCN2Cc2ccccc2F)n1 ZINC000072367163 203207659 /nfs/dbraw/zinc/20/76/59/203207659.db2.gz FBBIKBIQADZOON-LJQANCHMSA-N -1 1 342.414 3.883 40 0 EHABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2CC)cc1 ZINC000408552789 563469806 /nfs/dbraw/zinc/46/98/06/563469806.db2.gz NVSWFPIGAFRVSS-UHFFFAOYSA-N -1 1 348.424 3.618 40 0 EHABMM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000408561647 563477560 /nfs/dbraw/zinc/47/75/60/563477560.db2.gz UOLPFPOAFOQWLA-UHFFFAOYSA-N -1 1 347.770 3.818 40 0 EHABMM COc1cc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2c(Br)c1 ZINC000216920211 241223335 /nfs/dbraw/zinc/22/33/35/241223335.db2.gz YYFMDRQKBLYONR-UHFFFAOYSA-N -1 1 347.168 3.699 40 0 EHABMM Cc1n[n-]c(=S)n1NCc1ccccc1OCc1ccccc1 ZINC000007602653 257864198 /nfs/dbraw/zinc/86/41/98/257864198.db2.gz RQIMACCZSXZIIY-UHFFFAOYSA-N -1 1 326.425 3.572 40 0 EHABMM C[C@H]([C@H](O)c1ccc(Cl)cc1)C([O-])(C(F)(F)F)C(F)(F)F ZINC000001623599 563397412 /nfs/dbraw/zinc/39/74/12/563397412.db2.gz OMUFZXVQZXEHBX-MUWHJKNJSA-N -1 1 336.659 3.865 40 0 EHABMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1F ZINC000096659605 563981024 /nfs/dbraw/zinc/98/10/24/563981024.db2.gz NXTSACNGEIATKW-UHFFFAOYSA-N -1 1 333.306 3.954 40 0 EHABMM Cc1cc(CCC(=O)[O-])cc([C@H]2CCCN2Cc2cccc(F)c2)n1 ZINC000072367173 563990941 /nfs/dbraw/zinc/99/09/41/563990941.db2.gz MTPOZIBBNYQCHK-LJQANCHMSA-N -1 1 342.414 3.883 40 0 EHABMM COc1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1F ZINC000007361148 564015498 /nfs/dbraw/zinc/01/54/98/564015498.db2.gz RVKIGORGXQIQNG-UHFFFAOYSA-N -1 1 331.368 3.788 40 0 EHABMM CCOc1ccc(CNn2c(=S)[n-]nc2-c2ccccc2)cc1 ZINC000008324123 564016106 /nfs/dbraw/zinc/01/61/06/564016106.db2.gz WYKJCGKUHXHHAO-UHFFFAOYSA-N -1 1 326.425 3.750 40 0 EHABMM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(F)c3)ccc2c1 ZINC000225414170 564046507 /nfs/dbraw/zinc/04/65/07/564046507.db2.gz SWXYWWLXRHSDLH-UHFFFAOYSA-N -1 1 331.368 3.788 40 0 EHABMM COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1F ZINC000032585623 564050075 /nfs/dbraw/zinc/05/00/75/564050075.db2.gz VFXGIZJSJXJKEX-UHFFFAOYSA-N -1 1 331.368 3.788 40 0 EHABMM O=C(Nc1cccnc1)c1c[n-]c2c(cccc2C(F)(F)F)c1=O ZINC000012421853 202138274 /nfs/dbraw/zinc/13/82/74/202138274.db2.gz MHVMWRGFIDIPCJ-UHFFFAOYSA-N -1 1 333.269 3.607 40 0 EHABMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)cc1 ZINC000012291111 207083201 /nfs/dbraw/zinc/08/32/01/207083201.db2.gz IXXPZUAWKAAAST-UHFFFAOYSA-N -1 1 327.405 3.958 40 0 EHABMM Cc1c(Cl)cccc1NC(=O)c1cc2ccc([O-])cc2oc1=O ZINC000408799891 257888230 /nfs/dbraw/zinc/88/82/30/257888230.db2.gz JCFGUCIOAQYLEC-UHFFFAOYSA-N -1 1 329.739 3.713 40 0 EHABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1OCC ZINC000007927699 563994896 /nfs/dbraw/zinc/99/48/96/563994896.db2.gz HVHJHHPDEHAMQT-UHFFFAOYSA-N -1 1 335.425 3.593 40 0 EHABMM CCOc1c(Cl)cc(Cl)cc1CNn1c(C)n[n-]c1=S ZINC000008253443 564016008 /nfs/dbraw/zinc/01/60/08/564016008.db2.gz MNOURKLJNDFJSX-UHFFFAOYSA-N -1 1 333.244 3.698 40 0 EHABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1OCC ZINC000007361170 564126654 /nfs/dbraw/zinc/12/66/54/564126654.db2.gz CVBIDFSQTZJDMM-UHFFFAOYSA-N -1 1 349.452 3.902 40 0 EHABMM NC(=O)c1cc(-c2cnc(Nc3cccc(F)c3F)s2)ccc1[O-] ZINC000003880190 564159551 /nfs/dbraw/zinc/15/95/51/564159551.db2.gz JIFLBVHNKOOWAP-UHFFFAOYSA-N -1 1 347.346 3.636 40 0 EHABMM NC(=O)c1cc(-c2cnc(Nc3cc(F)ccc3F)s2)ccc1[O-] ZINC000003880192 564159565 /nfs/dbraw/zinc/15/95/65/564159565.db2.gz CLVJPEOXPNVSKJ-UHFFFAOYSA-N -1 1 347.346 3.636 40 0 EHABMM CSCC[C@H](NC(c1ccccc1)c1ccccc1)[P@@H](=O)[O-] ZINC000032068182 202220240 /nfs/dbraw/zinc/22/02/40/202220240.db2.gz XUBAFQJGNVMLBN-MRXNPFEDSA-N -1 1 335.409 3.912 40 0 EHABMM CSCC[C@H](NC(c1ccccc1)c1ccccc1)[P@H](=O)[O-] ZINC000032068182 202220245 /nfs/dbraw/zinc/22/02/45/202220245.db2.gz XUBAFQJGNVMLBN-MRXNPFEDSA-N -1 1 335.409 3.912 40 0 EHABMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c3c(cccc31)CC2 ZINC000226862383 205161666 /nfs/dbraw/zinc/16/16/66/205161666.db2.gz RBWARCGBOICXFU-UHFFFAOYSA-N -1 1 327.380 3.878 40 0 EHABMM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000408700125 563585749 /nfs/dbraw/zinc/58/57/49/563585749.db2.gz BCOLGBSWXOKXSJ-UHFFFAOYSA-N -1 1 341.379 3.898 40 0 EHABMM O=C1[N-]C(=O)C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)S1 ZINC000408781658 564007292 /nfs/dbraw/zinc/00/72/92/564007292.db2.gz DYKIGBAIUHHXST-YRNVUSSQSA-N -1 1 343.389 3.631 40 0 EHABMM O=C(Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1)c1ccco1 ZINC000033908180 564050216 /nfs/dbraw/zinc/05/02/16/564050216.db2.gz UTCZVKAVJWCEAK-WQLSENKSSA-N -1 1 331.374 3.828 40 0 EHABMM C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000257275218 244390677 /nfs/dbraw/zinc/39/06/77/244390677.db2.gz NOKDFHALAQUQHG-GASCZTMLSA-N -1 1 325.408 3.661 40 0 EHABMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000041091167 563924179 /nfs/dbraw/zinc/92/41/79/563924179.db2.gz WPDHBYJUMLWHAY-UHFFFAOYSA-N -1 1 333.306 3.954 40 0 EHABMM S=c1[n-]nc(-c2ccncc2)n1NC/C=C/c1ccc(Cl)cc1 ZINC000007602376 564015666 /nfs/dbraw/zinc/01/56/66/564015666.db2.gz LRRCQKYQOPJHOS-OWOJBTEDSA-N -1 1 343.843 3.913 40 0 EHABMM Cc1n[n-]c(=S)n1NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000007602713 564015713 /nfs/dbraw/zinc/01/57/13/564015713.db2.gz ZFFYWXOPRBXCDR-UHFFFAOYSA-N -1 1 344.415 3.711 40 0 EHABMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1 ZINC000216779080 241210124 /nfs/dbraw/zinc/21/01/24/241210124.db2.gz FYKVZEYTRRBCIW-UHFFFAOYSA-N -1 1 341.388 3.868 40 0 EHABMM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000096659558 563981011 /nfs/dbraw/zinc/98/10/11/563981011.db2.gz UXUILOQKDUFLBX-UHFFFAOYSA-N -1 1 335.425 3.512 40 0 EHABMM CC(C)COc1ccc([C@@H]2NC[C@H](C(=O)[O-])S2)c2ccccc12 ZINC000408978929 564008613 /nfs/dbraw/zinc/00/86/13/564008613.db2.gz OTYXZYCVGBKEOD-IAGOWNOFSA-N -1 1 331.437 3.663 40 0 EHABMM CCCc1n[n-]c(=S)n1NCc1c(OC)ccc2ccccc21 ZINC000007601371 564015676 /nfs/dbraw/zinc/01/56/76/564015676.db2.gz CPNRZXRIIATPBX-UHFFFAOYSA-N -1 1 328.441 3.799 40 0 EHABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2c1 ZINC000222953907 564038532 /nfs/dbraw/zinc/03/85/32/564038532.db2.gz AMBIWNJGRYAQJH-UHFFFAOYSA-N -1 1 331.368 3.788 40 0 EHABMM Cc1cccc(-c2n[nH]c(SCc3cccc(C(=O)[O-])c3)n2)c1 ZINC000019927494 202026723 /nfs/dbraw/zinc/02/67/23/202026723.db2.gz DDXSJSLPSPWRQT-UHFFFAOYSA-N -1 1 325.393 3.771 40 0 EHABMM Cc1c(Cl)cccc1NC(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937227 202027859 /nfs/dbraw/zinc/02/78/59/202027859.db2.gz OACOTRFMMFSTNI-UHFFFAOYSA-N -1 1 339.782 3.651 40 0 EHABMM O=S(=O)([N-]c1cccc(F)c1F)c1ccccc1Br ZINC000040231549 201088665 /nfs/dbraw/zinc/08/86/65/201088665.db2.gz XAHBYPACXGTCLS-UHFFFAOYSA-N -1 1 348.168 3.528 40 0 EHABMM O=C([O-])c1cc2[nH]c(-c3ccc(F)cc3)nc2c(Br)c1 ZINC000084763630 201369221 /nfs/dbraw/zinc/36/92/21/201369221.db2.gz FAEBUCACJIOQGR-UHFFFAOYSA-N -1 1 335.132 3.830 40 0 EHABMM CC(C)c1ccc2oc(-c3ccc(NC(N)=S)cc3[O-])nc2c1 ZINC000020154559 212107485 /nfs/dbraw/zinc/10/74/85/212107485.db2.gz ZEAHWHUFXSGRGV-UHFFFAOYSA-N -1 1 327.409 3.979 40 0 EHABMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000043322905 525813773 /nfs/dbraw/zinc/81/37/73/525813773.db2.gz YZRFGEUFATVFCO-UHFFFAOYSA-N -1 1 344.205 3.697 40 0 EHABMM CC(C)Oc1ccc(OCCSc2nc(C(C)C)cc(=O)[n-]2)cc1 ZINC000004943264 564005520 /nfs/dbraw/zinc/00/55/20/564005520.db2.gz BJCSIJRKKNJMLB-UHFFFAOYSA-N -1 1 348.468 3.852 40 0 EHABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCC ZINC000007601347 564015646 /nfs/dbraw/zinc/01/56/46/564015646.db2.gz RVCNJQRQSUVYCZ-UHFFFAOYSA-N -1 1 326.853 3.689 40 0 EHABMM CCOc1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000014291444 564022177 /nfs/dbraw/zinc/02/21/77/564022177.db2.gz VPIUXWPGBFCEEK-UHFFFAOYSA-N -1 1 325.817 3.681 40 0 EHABMM Cc1ccc(C(=O)Oc2ccc(C=C3SC(=O)[N-]C3=O)cc2)cc1 ZINC000059959086 564050937 /nfs/dbraw/zinc/05/09/37/564050937.db2.gz IEMUEICAZBPIMV-GDNBJRDFSA-N -1 1 339.372 3.538 40 0 EHABMM Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1F ZINC000005126891 564118115 /nfs/dbraw/zinc/11/81/15/564118115.db2.gz QYDJFVZWHVRJMQ-UHFFFAOYSA-N -1 1 344.205 3.697 40 0 EHABMM Cc1cc(CCC(=O)[O-])cc([C@@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000072367166 203207431 /nfs/dbraw/zinc/20/74/31/203207431.db2.gz VYTWZRMBBFKFQQ-IBGZPJMESA-N -1 1 342.414 3.883 40 0 EHABMM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccccc3F)cc2)S1 ZINC000005771939 564014299 /nfs/dbraw/zinc/01/42/99/564014299.db2.gz ZXCWBSKBZSDBBH-OQLLNIDSSA-N -1 1 329.352 3.729 40 0 EHABMM Fc1cccc(Cl)c1CNn1c(=S)[n-]nc1-c1ccncc1 ZINC000007601811 564015648 /nfs/dbraw/zinc/01/56/48/564015648.db2.gz RQUOHVXHLJXTKF-UHFFFAOYSA-N -1 1 335.795 3.539 40 0 EHABMM Nc1cc(C(F)(F)F)ccc1Sc1n[n-]c(C(F)(F)F)n1 ZINC000078406760 201185445 /nfs/dbraw/zinc/18/54/45/201185445.db2.gz DIEQZQISHMOGOJ-UHFFFAOYSA-N -1 1 328.241 3.576 40 0 EHABMM COc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O ZINC000002807332 201547149 /nfs/dbraw/zinc/54/71/49/201547149.db2.gz SWGIUAXYJKUMQG-WEVVVXLNSA-N -1 1 330.228 3.787 40 0 EHABMM Cc1cc(CCC(=O)[O-])cc([C@@H]2CCCN2Cc2ccccc2F)n1 ZINC000072367162 203208003 /nfs/dbraw/zinc/20/80/03/203208003.db2.gz FBBIKBIQADZOON-IBGZPJMESA-N -1 1 342.414 3.883 40 0 EHABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)cc(Cl)c1OC ZINC000007601405 564015693 /nfs/dbraw/zinc/01/56/93/564015693.db2.gz SFZHFUZIZMIGAL-UHFFFAOYSA-N -1 1 347.271 3.952 40 0 EHABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1F ZINC000032585744 564050067 /nfs/dbraw/zinc/05/00/67/564050067.db2.gz INNRUMAWBQJKKG-UHFFFAOYSA-N -1 1 329.780 3.597 40 0 EHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1F ZINC000032586230 564050072 /nfs/dbraw/zinc/05/00/72/564050072.db2.gz SJESJFSDHMYCFS-UHFFFAOYSA-N -1 1 349.305 3.654 40 0 EHABMM O=C([O-])c1c[nH]c2cc(OCc3ccc4ccccc4c3)ccc2c1=O ZINC000027718654 564066168 /nfs/dbraw/zinc/06/61/68/564066168.db2.gz QUXDLMJXPRKFCH-UHFFFAOYSA-N -1 1 345.354 3.959 40 0 EHABMM O=C(O)c1c[n-]c2cc(OCc3ccc4ccccc4c3)ccc2c1=O ZINC000027718654 564066169 /nfs/dbraw/zinc/06/61/69/564066169.db2.gz QUXDLMJXPRKFCH-UHFFFAOYSA-N -1 1 345.354 3.959 40 0 EHABMM O=c1c2c[n-]c3ccc(Br)cc3c-2nn1-c1ccccc1 ZINC000100294424 563630992 /nfs/dbraw/zinc/63/09/92/563630992.db2.gz QZWILCKFBLOODV-UHFFFAOYSA-N -1 1 340.180 3.630 40 0 EHABMM O=C1[N-]C(=S)NC1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000016728956 563821843 /nfs/dbraw/zinc/82/18/43/563821843.db2.gz BVWCPBUMYBYWMI-WDZFZDKYSA-N -1 1 339.203 3.599 40 0 EHABMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2cccnc12 ZINC000223250071 564039382 /nfs/dbraw/zinc/03/93/82/564039382.db2.gz POGHFKQNMGBASF-UHFFFAOYSA-N -1 1 348.811 3.698 40 0 EHABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000408554972 563471805 /nfs/dbraw/zinc/47/18/05/563471805.db2.gz VZXPLVNCRBOILI-UHFFFAOYSA-N -1 1 348.424 3.673 40 0 EHABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)OC3)cc1C ZINC000013632681 563705076 /nfs/dbraw/zinc/70/50/76/563705076.db2.gz FVMJTIUZOZKDMC-UHFFFAOYSA-N -1 1 345.464 3.956 40 0 EHABMM O=C1[N-]C(=S)NC1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000033392374 202260869 /nfs/dbraw/zinc/26/08/69/202260869.db2.gz RVODQLMHNWOGIT-POHAHGRESA-N -1 1 339.203 3.599 40 0 EHABMM CCCOc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1 ZINC000072414304 203218575 /nfs/dbraw/zinc/21/85/75/203218575.db2.gz MLTSRXYFNUNETN-UHFFFAOYSA-N -1 1 342.420 3.824 40 0 EHABMM O=S(=O)([N-]c1ncc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000016429146 211902796 /nfs/dbraw/zinc/90/27/96/211902796.db2.gz CGASLTPPUKTEAK-UHFFFAOYSA-N 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325.817 3.928 40 0 EHABMM Cc1cc(=O)n(-c2ccc(NC(=O)c3ccccc3Cl)cc2)[n-]1 ZINC000019074533 563853264 /nfs/dbraw/zinc/85/32/64/563853264.db2.gz QRDSFAJVFJDSOB-UHFFFAOYSA-N -1 1 327.771 3.705 40 0 EHABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(C)cc1 ZINC000008550101 564016343 /nfs/dbraw/zinc/01/63/43/564016343.db2.gz WAVRIPVSXPPDLG-UHFFFAOYSA-N -1 1 326.425 3.668 40 0 EHABMM Cc1nnc(SC(=Cc2cccc(Cl)c2Cl)C(=O)[O-])[nH]1 ZINC000006525896 564126067 /nfs/dbraw/zinc/12/60/67/564126067.db2.gz RALNMNKWBCVLQR-UITAMQMPSA-N -1 1 330.196 3.638 40 0 EHABMM Cc1nc(SC(=Cc2cccc(Cl)c2Cl)C(=O)[O-])n[nH]1 ZINC000006525896 564126068 /nfs/dbraw/zinc/12/60/68/564126068.db2.gz RALNMNKWBCVLQR-UITAMQMPSA-N -1 1 330.196 3.638 40 0 EHABMM O=C1[N-]C(=O)C(=Cc2ccc(-c3nc4ccccc4s3)o2)S1 ZINC000004510848 210209226 /nfs/dbraw/zinc/20/92/26/210209226.db2.gz XPDWOCTZCZMPGT-GHXNOFRVSA-N -1 1 328.374 3.880 40 0 EHABMM Cc1ncsc1CN1CCC[C@H]1c1cc(CCC(=O)[O-])cc(C)n1 ZINC000072367192 216173489 /nfs/dbraw/zinc/17/34/89/216173489.db2.gz 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40 0 EHABMM Cc1cccc(-c2n[nH]c(SCc3ccc(C(=O)[O-])cc3)n2)c1 ZINC000019927497 212084658 /nfs/dbraw/zinc/08/46/58/212084658.db2.gz RQJTZTATNNTREC-UHFFFAOYSA-N -1 1 325.393 3.771 40 0 EHABMM