smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=c1[n-]nc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000000081053 563218602 /nfs/dbraw/zinc/21/86/02/563218602.db2.gz JHVHAIVKQSTEDZ-UHFFFAOYSA-N -1 1 328.268 5.420 50 0 EKAAMM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccccc2cc1[O-] ZINC000000295473 563274605 /nfs/dbraw/zinc/27/46/05/563274605.db2.gz VUSHQCFBKYJMAK-UHFFFAOYSA-N -1 1 332.186 5.105 50 0 EKAAMM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1[O-] ZINC000000303213 563276715 /nfs/dbraw/zinc/27/67/15/563276715.db2.gz ZDKXOYCUBUCMMV-UHFFFAOYSA-N -1 1 339.778 5.090 50 0 EKAAMM O=C(Nc1cc(Cl)ccc1Cl)c1cc2ccccc2cc1[O-] ZINC000000356738 209548405 /nfs/dbraw/zinc/54/84/05/209548405.db2.gz XRSZVNFMWDURBA-UHFFFAOYSA-N -1 1 332.186 5.105 50 0 EKAAMM O=C1c2ccccc2C(=O)C(CC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)=C1[O-] ZINC000000402491 563843703 /nfs/dbraw/zinc/84/37/03/563843703.db2.gz ZNPDNWVMVQPDRC-JYJNAYRXSA-N -1 1 338.447 5.264 50 0 EKAAMM Cc1ccc(C2=Nc3ccccc3N=C(c3ccccc3)C2)c([O-])c1 ZINC000000509590 564019883 /nfs/dbraw/zinc/01/98/83/564019883.db2.gz RUGQRMGCTQXIJH-UHFFFAOYSA-N -1 1 326.399 5.346 50 0 EKAAMM [O-]c1ccccc1C1=Nc2ccccc2N=C(c2cccc(F)c2)C1 ZINC000000509776 564019898 /nfs/dbraw/zinc/01/98/98/564019898.db2.gz FSYXRJQUSCUBFC-UHFFFAOYSA-N -1 1 330.362 5.177 50 0 EKAAMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000000528909 563341997 /nfs/dbraw/zinc/34/19/97/563341997.db2.gz UKCORKPNKRAXHH-UHFFFAOYSA-N -1 1 339.460 5.072 50 0 EKAAMM Cc1cc2c3oc(=O)sc3c(-c3ccc(F)cc3)c([O-])c2cc1C ZINC000000534835 564022053 /nfs/dbraw/zinc/02/20/53/564022053.db2.gz HCTRIFFTHVLPJI-UHFFFAOYSA-N -1 1 340.375 5.136 50 0 EKAAMM COc1ccc(C2=Nc3ccccc3N=C(c3ccccc3[O-])C2)cc1 ZINC000000535495 564022100 /nfs/dbraw/zinc/02/21/00/564022100.db2.gz ZWKHCBQRRMQAKR-UHFFFAOYSA-N -1 1 342.398 5.046 50 0 EKAAMM Cc1ccc(-c2c3sc(=O)oc3c3cc(C)c(C)cc3c2[O-])cc1 ZINC000000544990 564022682 /nfs/dbraw/zinc/02/26/82/564022682.db2.gz MPNPFCWXIJGWDG-UHFFFAOYSA-N -1 1 336.412 5.306 50 0 EKAAMM Cc1ccc(C2=Nc3ccccc3N=C(c3ccccc3[O-])C2)cc1 ZINC000000547320 564022774 /nfs/dbraw/zinc/02/27/74/564022774.db2.gz QRDHNXABVLJUCN-UHFFFAOYSA-N -1 1 326.399 5.346 50 0 EKAAMM C[C@@H](c1ccccc1)n1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1 ZINC000000608529 563352169 /nfs/dbraw/zinc/35/21/69/563352169.db2.gz ZQURPMWENBPUMK-AWEZNQCLSA-N -1 1 337.492 5.514 50 0 EKAAMM C[C@H](c1ccccc1)n1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1 ZINC000000608530 563352196 /nfs/dbraw/zinc/35/21/96/563352196.db2.gz ZQURPMWENBPUMK-CQSZACIVSA-N -1 1 337.492 5.514 50 0 EKAAMM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2CCc2ccccc2)cc1 ZINC000000608608 563352461 /nfs/dbraw/zinc/35/24/61/563352461.db2.gz XIRIQJODFNFBAV-UHFFFAOYSA-N -1 1 337.492 5.148 50 0 EKAAMM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000619264 563360935 /nfs/dbraw/zinc/36/09/35/563360935.db2.gz HUKYIUWVWAQORZ-OAHLLOKOSA-N -1 1 339.460 5.154 50 0 EKAAMM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000619265 563360983 /nfs/dbraw/zinc/36/09/83/563360983.db2.gz HUKYIUWVWAQORZ-HNNXBMFYSA-N -1 1 339.460 5.154 50 0 EKAAMM Cc1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1Cl ZINC000001250524 563381706 /nfs/dbraw/zinc/38/17/06/563381706.db2.gz BPMQJIVJFYOCHP-NTUHNPAUSA-N -1 1 335.837 5.238 50 0 EKAAMM CCCCCCc1cc2cc(-c3csc(C)n3)c(=O)oc2cc1[O-] ZINC000001817328 564057862 /nfs/dbraw/zinc/05/78/62/564057862.db2.gz NGAFDYBHZBOLTR-UHFFFAOYSA-N -1 1 343.448 5.053 50 0 EKAAMM CC(C)(C)c1cc(-c2ccccc2)cc(-c2cc(Cl)ccc2[O-])n1 ZINC000002266637 564125383 /nfs/dbraw/zinc/12/53/83/564125383.db2.gz IRFXVKDPSDBIPN-UHFFFAOYSA-N -1 1 337.850 6.072 50 0 EKAAMM O=c1oc2cc([O-])ccc2c(-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000002576844 209870665 /nfs/dbraw/zinc/87/06/65/209870665.db2.gz YMDOUFPYUBAQBS-UHFFFAOYSA-N -1 1 348.785 5.486 50 0 EKAAMM O=c1oc2cc([O-])ccc2c(-c2ccccc2)c1-c1ccccc1Cl ZINC000002576886 563442930 /nfs/dbraw/zinc/44/29/30/563442930.db2.gz JBSCMIAEEWZQBR-UHFFFAOYSA-N -1 1 348.785 5.486 50 0 EKAAMM O=c1oc2cc([O-])ccc2c(-c2ccccc2)c1-c1cccc(Cl)c1 ZINC000002581736 564004761 /nfs/dbraw/zinc/00/47/61/564004761.db2.gz WTBGPHMPZFMGIZ-UHFFFAOYSA-N -1 1 348.785 5.486 50 0 biogenic,in-vitro EKAAMM Cc1ccc(Sc2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1 ZINC000002592263 563443812 /nfs/dbraw/zinc/44/38/12/563443812.db2.gz RSJNZNIOUINBPT-XYOKQWHBSA-N -1 1 333.459 5.068 50 0 EKAAMM Cc1cccc(C2=Nc3ccccc3N=C(c3ccccc3[O-])C2)c1 ZINC000004122079 210125808 /nfs/dbraw/zinc/12/58/08/210125808.db2.gz CQFBMUWDOBLUKE-UHFFFAOYSA-N -1 1 326.399 5.346 50 0 EKAAMM [O-]c1ccccc1C1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1 ZINC000004122080 210126574 /nfs/dbraw/zinc/12/65/74/210126574.db2.gz URACXQRCZUVJBD-UHFFFAOYSA-N -1 1 346.817 5.691 50 0 EKAAMM Cc1cccc(C2=Nc3ccccc3N=C(c3ccc(C)cc3[O-])C2)c1 ZINC000004122089 564160775 /nfs/dbraw/zinc/16/07/75/564160775.db2.gz KTFMCBSHIDKZML-UHFFFAOYSA-N -1 1 340.426 5.654 50 0 EKAAMM Cc1ccc(C2=Nc3ccccc3N=C(c3ccc(C)cc3[O-])C2)cc1 ZINC000004122090 210126487 /nfs/dbraw/zinc/12/64/87/210126487.db2.gz XZRUMTIUMUDBKJ-UHFFFAOYSA-N -1 1 340.426 5.654 50 0 EKAAMM Cc1ccc(C2=Nc3ccccc3N=C(c3cccc(F)c3)C2)c([O-])c1 ZINC000004122091 210125862 /nfs/dbraw/zinc/12/58/62/210125862.db2.gz PFDHZBOLUKJPQT-UHFFFAOYSA-N -1 1 344.389 5.485 50 0 EKAAMM Cc1ccc(C2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)c([O-])c1 ZINC000004122093 210126167 /nfs/dbraw/zinc/12/61/67/210126167.db2.gz VVTKYALFFMBBNO-UHFFFAOYSA-N -1 1 344.389 5.485 50 0 EKAAMM [O-]c1c(Cl)cc(Cl)cc1-c1cc(-c2ccccc2Cl)n[nH]1 ZINC000004335957 563500439 /nfs/dbraw/zinc/50/04/39/563500439.db2.gz RMTSUVFQEACAQZ-UHFFFAOYSA-N -1 1 339.609 5.410 50 0 EKAAMM CCCCCCc1ccc(Nc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000005003002 564005652 /nfs/dbraw/zinc/00/56/52/564005652.db2.gz JPBDXDLTCSRPQA-UHFFFAOYSA-N -1 1 347.462 5.303 50 0 EKAAMM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000005601898 564006243 /nfs/dbraw/zinc/00/62/43/564006243.db2.gz JIDTWNDASVSQTK-OAHLLOKOSA-N -1 1 339.460 5.154 50 0 EKAAMM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000005601903 564006263 /nfs/dbraw/zinc/00/62/63/564006263.db2.gz JIDTWNDASVSQTK-HNNXBMFYSA-N -1 1 339.460 5.154 50 0 EKAAMM CC(C)(C)c1ccc(-c2cc(-c3cc(Cl)ccc3O)n[nH]2)cc1 ZINC000005685939 564006061 /nfs/dbraw/zinc/00/60/61/564006061.db2.gz OUKPMTZUJSEDBQ-UHFFFAOYSA-N -1 1 326.827 5.400 50 0 EKAAMM S=c1nc[n-]c2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000005927513 564057068 /nfs/dbraw/zinc/05/70/68/564057068.db2.gz VQIKQJORZANNLW-UHFFFAOYSA-N -1 1 335.457 5.058 50 0 EKAAMM S=c1nc[n-]c2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000005927515 564057051 /nfs/dbraw/zinc/05/70/51/564057051.db2.gz FIPCICHNOBBVMY-UHFFFAOYSA-N -1 1 349.484 5.448 50 0 EKAAMM O=c1c2c([n-]n1-c1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000005999809 564057537 /nfs/dbraw/zinc/05/75/37/564057537.db2.gz JAXBQZQZUZMWSC-UHFFFAOYSA-N -1 1 330.431 5.003 50 0 EKAAMM CCCCC[C@@H](C)Cn1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1 ZINC000006172790 563560347 /nfs/dbraw/zinc/56/03/47/563560347.db2.gz MBWANCKRNUYEQV-OAHLLOKOSA-N -1 1 345.556 6.122 50 0 EKAAMM CCCCC[C@H](C)Cn1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1 ZINC000006172795 563560331 /nfs/dbraw/zinc/56/03/31/563560331.db2.gz MBWANCKRNUYEQV-HNNXBMFYSA-N -1 1 345.556 6.122 50 0 EKAAMM C[C@@H]1CCc2c(-c3n[n-]c(=S)n3C3CCCCC3)csc2C1 ZINC000006175685 564077258 /nfs/dbraw/zinc/07/72/58/564077258.db2.gz HVSARAWVVQSSLW-LLVKDONJSA-N -1 1 333.526 5.299 50 0 EKAAMM C[C@H]1CCc2c(-c3n[n-]c(=S)n3C3CCCCC3)csc2C1 ZINC000006199882 564081982 /nfs/dbraw/zinc/08/19/82/564081982.db2.gz HVSARAWVVQSSLW-NSHDSACASA-N -1 1 333.526 5.299 50 0 EKAAMM COc1ccc(C2=Nc3ccccc3N=C(c3ccccc3)C2)c([O-])c1 ZINC000006247802 564083248 /nfs/dbraw/zinc/08/32/48/564083248.db2.gz PKWMYRCXTBRBLR-UHFFFAOYSA-N -1 1 342.398 5.046 50 0 EKAAMM CCc1ccc(OCc2n[n-]c(=S)n2[C@@H](C)CCCC(C)C)cc1 ZINC000006343515 563565554 /nfs/dbraw/zinc/56/55/54/563565554.db2.gz GCWFBJNERWTBLJ-HNNXBMFYSA-N -1 1 347.528 5.469 50 0 EKAAMM CCc1ccc(OCc2n[n-]c(=S)n2[C@H](C)CCCC(C)C)cc1 ZINC000006343517 563565538 /nfs/dbraw/zinc/56/55/38/563565538.db2.gz GCWFBJNERWTBLJ-OAHLLOKOSA-N -1 1 347.528 5.469 50 0 EKAAMM CC(C)Cn1c(=S)[n-]nc1-c1csc2c1CC[C@H](C(C)(C)C)C2 ZINC000006493095 563569888 /nfs/dbraw/zinc/56/98/88/563569888.db2.gz ACQAJYPEZDRPHY-LBPRGKRZSA-N -1 1 349.569 5.476 50 0 EKAAMM CC(C)Cn1c(=S)[n-]nc1-c1csc2c1CC[C@@H](C(C)(C)C)C2 ZINC000006493096 563570041 /nfs/dbraw/zinc/57/00/41/563570041.db2.gz ACQAJYPEZDRPHY-GFCCVEGCSA-N -1 1 349.569 5.476 50 0 EKAAMM CC(C)c1c([O-])cc(-c2cccs2)n(-c2ccc(Cl)cc2)c1=O ZINC000006493138 563570035 /nfs/dbraw/zinc/57/00/35/563570035.db2.gz PSVBANRAXKVPPB-UHFFFAOYSA-N -1 1 345.851 5.048 50 0 EKAAMM CCCc1cc(-c2n[n-]c(=S)n2[C@@H](C)c2ccccc2)cs1 ZINC000006493361 563569985 /nfs/dbraw/zinc/56/99/85/563569985.db2.gz CAWOEGSOGDTGOS-LBPRGKRZSA-N -1 1 329.494 5.231 50 0 EKAAMM CCCc1cc(-c2n[n-]c(=S)n2[C@H](C)c2ccccc2)cs1 ZINC000006493362 563569897 /nfs/dbraw/zinc/56/98/97/563569897.db2.gz CAWOEGSOGDTGOS-GFCCVEGCSA-N -1 1 329.494 5.231 50 0 EKAAMM CCCCn1c(=S)[n-]nc1-c1csc2c1CC[C@H](C(C)(C)C)C2 ZINC000006636027 563575543 /nfs/dbraw/zinc/57/55/43/563575543.db2.gz OVTJTRXASQDACW-LBPRGKRZSA-N -1 1 349.569 5.620 50 0 EKAAMM CCCCn1c(=S)[n-]nc1-c1csc2c1CC[C@@H](C(C)(C)C)C2 ZINC000006636028 563575488 /nfs/dbraw/zinc/57/54/88/563575488.db2.gz OVTJTRXASQDACW-GFCCVEGCSA-N -1 1 349.569 5.620 50 0 EKAAMM O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccccc1[O-] ZINC000006668528 563577436 /nfs/dbraw/zinc/57/74/36/563577436.db2.gz FUJBEQICRMPWRH-UHFFFAOYSA-N -1 1 329.355 5.058 50 0 EKAAMM CCOc1cc(C(=O)Nc2ccc([C@H](C)CC)cc2)cc(Cl)c1[O-] ZINC000007777176 564123009 /nfs/dbraw/zinc/12/30/09/564123009.db2.gz RNWKSKPRFYDVPS-GFCCVEGCSA-N -1 1 347.842 5.210 50 0 EKAAMM CCOc1cc(C(=O)Nc2ccc([C@@H](C)CC)cc2)cc(Cl)c1[O-] ZINC000007777177 564123002 /nfs/dbraw/zinc/12/30/02/564123002.db2.gz RNWKSKPRFYDVPS-LBPRGKRZSA-N -1 1 347.842 5.210 50 0 EKAAMM O=C([O-])c1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc1 ZINC000008744126 564167174 /nfs/dbraw/zinc/16/71/74/564167174.db2.gz JPDDFHHRTBLTJP-UHFFFAOYSA-N -1 1 346.411 5.170 50 0 EKAAMM Cc1c(-c2cc(F)ccc2[O-])nc2ccccc2c1-c1ccccc1 ZINC000012547073 564058936 /nfs/dbraw/zinc/05/89/36/564058936.db2.gz SBOCHCXXISEVKI-UHFFFAOYSA-N -1 1 329.374 5.722 50 0 EKAAMM Cc1ccc(C2=Nc3ccccc3N=C(c3cccs3)C2)c([O-])c1 ZINC000013122472 563688909 /nfs/dbraw/zinc/68/89/09/563688909.db2.gz GKEQRDVGBQYPBW-UHFFFAOYSA-N -1 1 332.428 5.407 50 0 aggregator EKAAMM Cc1nc(-c2ccccc2)[n-]c(=O)c1Oc1ccc(Cl)cc1Cl ZINC000013469632 563699065 /nfs/dbraw/zinc/69/90/65/563699065.db2.gz VNWPRSGMPKJJFQ-UHFFFAOYSA-N -1 1 347.201 5.257 50 0 EKAAMM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000014256341 563756470 /nfs/dbraw/zinc/75/64/70/563756470.db2.gz CFIUWJCTZKTNJT-MRXNPFEDSA-N -1 1 345.508 5.199 50 0 EKAAMM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000014256342 563756427 /nfs/dbraw/zinc/75/64/27/563756427.db2.gz CFIUWJCTZKTNJT-INIZCTEOSA-N -1 1 345.508 5.199 50 0 EKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(C)C)cc1 ZINC000014256377 563983748 /nfs/dbraw/zinc/98/37/48/563983748.db2.gz HCBNJUBRBDFSNT-UHFFFAOYSA-N -1 1 345.508 5.082 50 0 EKAAMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000014256998 563756343 /nfs/dbraw/zinc/75/63/43/563756343.db2.gz ZDSKALAEIWNMOE-OAHLLOKOSA-N -1 1 339.460 5.154 50 0 EKAAMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000014256999 563756483 /nfs/dbraw/zinc/75/64/83/563756483.db2.gz ZDSKALAEIWNMOE-HNNXBMFYSA-N -1 1 339.460 5.154 50 0 EKAAMM [O-]c1cc(O)ccc1-c1nc2ccccc2c(-c2ccccc2)c1Cl ZINC000015453797 563784591 /nfs/dbraw/zinc/78/45/91/563784591.db2.gz NPFBSPJXOCXDSD-UHFFFAOYSA-N -1 1 347.801 5.633 50 0 EKAAMM CC(C)n1c(CSCc2ccc(Cl)cc2Cl)n[n-]c1=S ZINC000015924008 563800088 /nfs/dbraw/zinc/80/00/88/563800088.db2.gz HOVAMNOLUNEIKI-UHFFFAOYSA-N -1 1 348.324 5.262 50 0 EKAAMM CC(C)(C)c1cc(C=C2SC(=S)[N-]C2=O)cc(C(C)(C)C)c1O ZINC000017042869 563829751 /nfs/dbraw/zinc/82/97/51/563829751.db2.gz WBDPSYDYYOULLK-LCYFTJDESA-N -1 1 349.521 5.316 50 0 EKAAMM O=C1[N-]C(=S)SC1=Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000017147772 563838506 /nfs/dbraw/zinc/83/85/06/563838506.db2.gz INMNXYZGGLVPKJ-SDQBBNPISA-N -1 1 339.800 5.068 50 0 EKAAMM O=C1[N-]C(=S)SC1=Cc1ccc(-c2ccccc2Cl)s1 ZINC000023077859 212347375 /nfs/dbraw/zinc/34/73/75/212347375.db2.gz WZQLLILBGTYAII-GHXNOFRVSA-N -1 1 337.878 5.398 50 0 EKAAMM [O-]c1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)ccc1Cl ZINC000028563889 563903267 /nfs/dbraw/zinc/90/32/67/563903267.db2.gz WXJLXRNWMLWVFB-UHFFFAOYSA-N -1 1 347.805 5.165 50 0 in-vivo EKAAMM [O-]c1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)ccc1Cl ZINC000028563889 563903265 /nfs/dbraw/zinc/90/32/65/563903265.db2.gz WXJLXRNWMLWVFB-UHFFFAOYSA-N -1 1 347.805 5.165 50 0 in-vivo EKAAMM CCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc([O-])c(Cl)c1)N2 ZINC000033271127 563971799 /nfs/dbraw/zinc/97/17/99/563971799.db2.gz XXEWUUMFAXWNKK-GKCIPKSASA-N -1 1 343.854 5.243 50 0 EKAAMM CCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](c1ccc([O-])c(Cl)c1)N2 ZINC000033271128 563971785 /nfs/dbraw/zinc/97/17/85/563971785.db2.gz XXEWUUMFAXWNKK-KPOBHBOGSA-N -1 1 343.854 5.243 50 0 EKAAMM Cc1ccc(Cl)cc1-c1ccc(C=C2SC(=S)[N-]C2=O)o1 ZINC000033286121 564085863 /nfs/dbraw/zinc/08/58/63/564085863.db2.gz QGOXWWBKRXUNRL-QPEQYQDCSA-N -1 1 335.837 5.238 50 0 EKAAMM Cc1ccc(Sc2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1 ZINC000033351416 564036717 /nfs/dbraw/zinc/03/67/17/564036717.db2.gz RSJNZNIOUINBPT-WQLSENKSSA-N -1 1 333.459 5.068 50 0 EKAAMM O=C1[N-]C(=S)SC1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000038172446 202129817 /nfs/dbraw/zinc/12/98/17/202129817.db2.gz HGGBOQNUNSXPOZ-XNTDXEJSSA-N -1 1 336.441 5.164 50 0 EKAAMM C=Cc1ccc(CSc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000067259864 215128908 /nfs/dbraw/zinc/12/89/08/215128908.db2.gz AJDMKXAAZVKXEA-UHFFFAOYSA-N -1 1 334.400 5.017 50 0 EKAAMM O=c1[n-]c(SCc2ccccc2Cl)nc2c3ccccc3oc21 ZINC000067259875 215128990 /nfs/dbraw/zinc/12/89/90/215128990.db2.gz RMBVWAWGDLUKJP-UHFFFAOYSA-N -1 1 342.807 5.027 50 0 EKAAMM O=c1[n-]c(SCc2cccc(Cl)c2)nc2c3ccccc3oc21 ZINC000067259877 215128681 /nfs/dbraw/zinc/12/86/81/215128681.db2.gz HXOCTSBRDIJDTA-UHFFFAOYSA-N -1 1 342.807 5.027 50 0 EKAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCCCC2)[C@H](C(F)(F)F)S1 ZINC000071286762 564110923 /nfs/dbraw/zinc/11/09/23/564110923.db2.gz SQDLBWZXFRNYNV-GFCCVEGCSA-N -1 1 347.406 5.274 50 0 EKAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCCCC2)[C@@H](C(F)(F)F)S1 ZINC000071286764 564110957 /nfs/dbraw/zinc/11/09/57/564110957.db2.gz SQDLBWZXFRNYNV-LBPRGKRZSA-N -1 1 347.406 5.274 50 0 EKAAMM COc1cccc(CC[C@H](C(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000071770171 563965599 /nfs/dbraw/zinc/96/55/99/563965599.db2.gz AEDYYZXXYWLYCO-QFIPXVFZSA-N -1 1 346.426 5.000 50 0 EKAAMM COc1cccc(CC[C@@H](C(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000071770172 563965624 /nfs/dbraw/zinc/96/56/24/563965624.db2.gz AEDYYZXXYWLYCO-JOCHJYFZSA-N -1 1 346.426 5.000 50 0 EKAAMM CCCCc1cc(=O)oc2c(C)c([O-])c(-c3cc4ccccc4[nH]3)cc12 ZINC000096343747 564146795 /nfs/dbraw/zinc/14/67/95/564146795.db2.gz WAPPTZODZGTYLB-UHFFFAOYSA-N -1 1 347.414 5.298 50 0 EKAAMM O=C1[N-]C(=S)SC1=Cc1ccc(-c2ccccc2Cl)s1 ZINC000096991206 564086538 /nfs/dbraw/zinc/08/65/38/564086538.db2.gz WZQLLILBGTYAII-KPKJPENVSA-N -1 1 337.878 5.398 50 0 EKAAMM Oc1ccccc1CN=Nc1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000252620551 564090705 /nfs/dbraw/zinc/09/07/05/564090705.db2.gz MGMYVRCYDYTWEN-UHFFFAOYSA-N -1 1 349.139 5.164 50 0 EKAAMM