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)([N-]c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1 ZINC000000694703 557061860 /nfs/dbraw/zinc/06/18/60/557061860.db2.gz AIHMUJTWBROTHC-UHFFFAOYSA-N -2 3 424.450 3.566 50 0 HHAAHL CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000018022677 568417896 /nfs/dbraw/zinc/41/78/96/568417896.db2.gz GTYSYUNTCAFDQD-FUHWJXTLSA-N -2 3 416.264 3.625 50 0 HHAAHL CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000018022677 568417898 /nfs/dbraw/zinc/41/78/98/568417898.db2.gz GTYSYUNTCAFDQD-FUHWJXTLSA-N -2 3 416.264 3.625 50 0 HHAAHL CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000096118179 568697888 /nfs/dbraw/zinc/69/78/88/568697888.db2.gz NCUWQEGFHQDSOK-ZBFHGGJFSA-N -2 3 401.488 3.891 50 0 HHAAHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Br)c1Cl ZINC000089587173 569070759 /nfs/dbraw/zinc/07/07/59/569070759.db2.gz FUMZZOIKAXNZNJ-UHFFFAOYSA-N -2 3 404.669 3.910 50 0 HHAAHL Cc1cccc([N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2C)c1 ZINC000007050790 569213386 /nfs/dbraw/zinc/21/33/86/569213386.db2.gz DDMZIOGLXGNYMK-UHFFFAOYSA-N -2 3 416.524 3.905 50 0 HHAAHL CCOc1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc(Cl)c1[O-] ZINC000009053896 569391323 /nfs/dbraw/zinc/39/13/23/569391323.db2.gz UDPINHRVERRFPF-KPKJPENVSA-N -2 3 412.829 3.797 50 0 HHAAHL O=C([O-])c1ccc(-c2nc([O-])c3c4ccccc4c(=O)n(Cc4ccccc4)n23)cc1 ZINC000008939170 571166377 /nfs/dbraw/zinc/16/63/77/571166377.db2.gz UXLNIILIZUQPNN-UHFFFAOYSA-N -2 3 411.417 3.768 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000001140542 557203540 /nfs/dbraw/zinc/20/35/40/557203540.db2.gz ARCMSHGHSDDRCV-UHFFFAOYSA-N -2 3 416.524 3.905 50 0 HHAAHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000001166166 557220896 /nfs/dbraw/zinc/22/08/96/557220896.db2.gz NSXYSMOWRAPYFC-UHFFFAOYSA-N -2 3 416.524 3.905 50 0 HHAAHL CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007346 558828073 /nfs/dbraw/zinc/82/80/73/558828073.db2.gz AZSMGGBSAAQGLG-HNNXBMFYSA-N -2 3 402.516 3.984 50 0 HHAAHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1 ZINC000072312970 558838338 /nfs/dbraw/zinc/83/83/38/558838338.db2.gz FIIHDVSUFSJIGN-UHFFFAOYSA-N -2 3 411.439 3.641 50 0 HHAAHL CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1 ZINC000101260504 560789756 /nfs/dbraw/zinc/78/97/56/560789756.db2.gz MTUIJAMFYCPSIU-IRXDYDNUSA-N -2 3 413.275 3.818 50 0 HHAAHL O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1ccc([O-])c(Cl)c1)SCC(=O)N2 ZINC000096118342 568697934 /nfs/dbraw/zinc/69/79/34/568697934.db2.gz SACFVTGXPXXZPD-HNNXBMFYSA-N -2 3 411.936 3.791 50 0 HHAAHL CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000096118181 568697945 /nfs/dbraw/zinc/69/79/45/568697945.db2.gz NCUWQEGFHQDSOK-GDBMZVCRSA-N -2 3 401.488 3.891 50 0 HHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001137474 557202030 /nfs/dbraw/zinc/20/20/30/557202030.db2.gz FDCHZQOVTNHLAG-UHFFFAOYSA-N -2 3 402.497 3.597 50 0 HHAAHL O=C([N-]C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(=O)[N-]C1CCCCC1 ZINC000002565274 557356899 /nfs/dbraw/zinc/35/68/99/557356899.db2.gz MNWUMYCIHLUENF-UHFFFAOYSA-N -2 3 402.379 3.790 50 0 HHAAHL CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1 ZINC000004524015 558652536 /nfs/dbraw/zinc/65/25/36/558652536.db2.gz YTGBKFXXDWLPFE-DJIMGWMZSA-N -2 3 416.543 3.520 50 0 biogenic HHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007146 558827827 /nfs/dbraw/zinc/82/78/27/558827827.db2.gz NLHRPSGJSBXNSG-UHFFFAOYSA-N -2 3 404.488 3.575 50 0 HHAAHL CCc1ccc(-n2c([O-])c([C@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)cc1 ZINC000100752450 559263415 /nfs/dbraw/zinc/26/34/15/559263415.db2.gz KKACRSMSNMAPQG-HXUWFJFHSA-N -2 3 418.522 3.879 50 0 biogenic HHAAHL CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2 ZINC000018205879 560784301 /nfs/dbraw/zinc/78/43/01/560784301.db2.gz HWFIHDGRLWENLD-WMZOPIPTSA-N -2 3 416.264 3.625 50 0 HHAAHL COC(=O)C[C@@H](c1cccnc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116013 568695518 /nfs/dbraw/zinc/69/55/18/568695518.db2.gz GMVRIJJLAPPBCU-INIZCTEOSA-N -2 3 417.417 3.961 50 0 biogenic HHAAHL CCc1cc(-c2n[nH]c(CCC(=O)[O-])c2-c2nc3ccccc3n2C)c([O-])cc1O ZINC000004136297 568945488 /nfs/dbraw/zinc/94/54/88/568945488.db2.gz VGOGVFHWIJPDAN-UHFFFAOYSA-N -2 3 406.442 3.621 50 0 HHAAHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000032962075 518410040 /nfs/dbraw/zinc/41/00/40/518410040.db2.gz MDEXEDSQGYDGGC-UHFFFAOYSA-N -2 3 416.499 3.625 50 0 HHAAHL Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)s1 ZINC000032532322 525421104 /nfs/dbraw/zinc/42/11/04/525421104.db2.gz NTKVFKNHAFNORF-UHFFFAOYSA-N -2 3 422.553 3.967 50 0 HHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001122111 557192002 /nfs/dbraw/zinc/19/20/02/557192002.db2.gz MKXFEQVWWHJKEY-UHFFFAOYSA-N -2 3 420.487 3.736 50 0 HHAAHL O=C([O-])CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1 ZINC000009235764 557831468 /nfs/dbraw/zinc/83/14/68/557831468.db2.gz FVOUQXBVIULRPC-UHFFFAOYSA-N -2 3 406.261 3.579 50 0 HHAAHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253442 558921599 /nfs/dbraw/zinc/92/15/99/558921599.db2.gz JNXXHNUTZDRMPT-UHFFFAOYSA-N -2 3 418.515 3.821 50 0 HHAAHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])cc1 ZINC000033007322 568510184 /nfs/dbraw/zinc/51/01/84/568510184.db2.gz HQXREWQKCQULGX-UHFFFAOYSA-N -2 3 402.516 3.984 50 0 HHAAHL COC(=O)C[C@@H](c1ccncc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115289 568694959 /nfs/dbraw/zinc/69/49/59/568694959.db2.gz BNDAHCHWXBLUNI-INIZCTEOSA-N -2 3 417.417 3.961 50 0 biogenic HHAAHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000036833131 569229990 /nfs/dbraw/zinc/22/99/90/569229990.db2.gz CCZFKTIZJNAZDW-UHFFFAOYSA-N -2 3 408.545 3.907 50 0 HHAAHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)(C)C)c2)cc1C(=O)[O-] ZINC000069510523 571228693 /nfs/dbraw/zinc/22/86/93/571228693.db2.gz KCVMVMJOXDHZQM-UHFFFAOYSA-N -2 3 420.487 3.569 50 0 HHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000000784276 557079809 /nfs/dbraw/zinc/07/98/09/557079809.db2.gz FXLQVBPHQPIBOV-UHFFFAOYSA-N -2 3 408.526 3.658 50 0 HHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000001115919 557187099 /nfs/dbraw/zinc/18/70/99/557187099.db2.gz QRWNDIBOLJTTAD-UHFFFAOYSA-N -2 3 420.487 3.736 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000019925431 558307777 /nfs/dbraw/zinc/30/77/77/558307777.db2.gz KSXBHEGPAUZOTR-UHFFFAOYSA-N -2 3 402.497 3.597 50 0 HHAAHL CCOC(=O)c1ccc(-c2ccc(C(c3c(C)[n-][nH]c3=O)c3c(C)[n-][nH]c3=O)o2)cc1 ZINC000019974280 558317344 /nfs/dbraw/zinc/31/73/44/558317344.db2.gz OOZIXLOMZFOPLC-UHFFFAOYSA-N -2 3 422.441 3.778 50 0 HHAAHL O=c1[n-]c(=S)n(-c2cccc(C(F)(F)F)c2)c([O-])c1[C@H]1NCCc2ccccc21 ZINC000020188818 558344387 /nfs/dbraw/zinc/34/43/87/558344387.db2.gz VOQVGWHSWHYXFG-INIZCTEOSA-N -2 3 419.428 3.855 50 0 HHAAHL CC[C@@H](C)n1c([O-])c([C@H]2NCCc3c4cc(Cl)ccc4[nH]c32)c(=O)[n-]c1=S ZINC000020622439 558394110 /nfs/dbraw/zinc/39/41/10/558394110.db2.gz DSEVQDYZZJLHMH-JDNHERCYSA-N -2 3 404.923 3.952 50 0 HHAAHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)c(C(=O)[O-])c1 ZINC000033253443 558921535 /nfs/dbraw/zinc/92/15/35/558921535.db2.gz GCIYMSBGKMCEEL-UHFFFAOYSA-N -2 3 406.479 3.869 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)c1 ZINC000012605788 568871207 /nfs/dbraw/zinc/87/12/07/568871207.db2.gz POVHQYVWOCQZAJ-UHFFFAOYSA-N -2 3 416.524 3.905 50 0 HHAAHL O=C(Nc1nc2ccc(Br)cc2s1)c1c([O-])[n-]c2ccccc2c1=O ZINC000008974467 571197495 /nfs/dbraw/zinc/19/74/95/571197495.db2.gz HWVFLAKVWMMGCK-UHFFFAOYSA-N -2 3 416.256 3.858 50 0 HHAAHL COc1ccc(-c2[nH]nc3nc(-c4cc(OC)c([O-])c(OC)c4)cc(C(=O)[O-])c32)cc1 ZINC000009597275 571272458 /nfs/dbraw/zinc/27/24/58/571272458.db2.gz IXRJRHLXYDDGGR-UHFFFAOYSA-N -2 3 421.409 3.722 50 0 HHAAHL CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2C(=O)[O-])CC1 ZINC000032962072 521043832 /nfs/dbraw/zinc/04/38/32/521043832.db2.gz TZTDTRBNNJKTSQ-UHFFFAOYSA-N -2 3 410.442 3.700 50 0 HHAAHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(Br)s1 ZINC000032586126 526355335 /nfs/dbraw/zinc/35/53/35/526355335.db2.gz FCBUJAQLLDKERQ-UHFFFAOYSA-N -2 3 414.661 3.802 50 0 HHAAHL CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c([O-])cc1OCC(=O)[O-] ZINC000008466462 569004301 /nfs/dbraw/zinc/00/43/01/569004301.db2.gz KXXOTNJWCWBKIT-UHFFFAOYSA-N -2 3 410.426 3.555 50 0 biogenic HHAAHL Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1F ZINC000023125726 559013781 /nfs/dbraw/zinc/01/37/81/559013781.db2.gz WUCLKLRJAOLQEK-HZPDHXFCSA-N -2 3 417.238 3.703 50 0 HHAAHL O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCSCC1)cn2Cc1ccccc1 ZINC000036360484 569151516 /nfs/dbraw/zinc/15/15/16/569151516.db2.gz RQZZNJRKCNYJQU-FQEVSTJZSA-N -2 3 410.495 3.562 50 0 HHAAHL O=c1[n-]c(=S)n(-c2ccc(Cl)cc2)c([O-])c1[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000002155353 569290211 /nfs/dbraw/zinc/29/02/11/569290211.db2.gz ZDPACSZTHPKVPO-SFHVURJKSA-N -2 3 424.913 3.970 50 0 biogenic HHAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1C(=O)[O-] ZINC000045946704 524325654 /nfs/dbraw/zinc/32/56/54/524325654.db2.gz QOXXGIFCHYERHM-UHFFFAOYSA-N -2 3 404.488 3.787 50 0 HHAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 ZINC000019832166 558291894 /nfs/dbraw/zinc/29/18/94/558291894.db2.gz XFPYLTFTYNZKSR-UHFFFAOYSA-N -2 3 418.453 3.869 50 0 HHAAHL CC[C@H](C)n1c([O-])c([C@H]2NCCc3c4cc(Cl)ccc4[nH]c32)c(=O)[n-]c1=S ZINC000020622442 558394006 /nfs/dbraw/zinc/39/40/06/558394006.db2.gz DSEVQDYZZJLHMH-XXFAHNHDSA-N -2 3 404.923 3.952 50 0 HHAAHL CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100740302 559261582 /nfs/dbraw/zinc/26/15/82/559261582.db2.gz HWFIHDGRLWENLD-AEFFLSMTSA-N -2 3 416.264 3.625 50 0 HHAAHL O=S(=O)([N-]c1ccc(Br)c(C(F)(F)F)c1)c1ccc2n[n-]nc2c1 ZINC000225797014 568675338 /nfs/dbraw/zinc/67/53/38/568675338.db2.gz HYUCSYWWRLTNFJ-UHFFFAOYSA-N -2 3 421.198 3.540 50 0 HHAAHL COC(=O)C[C@H](c1ccncc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115290 568695035 /nfs/dbraw/zinc/69/50/35/568695035.db2.gz BNDAHCHWXBLUNI-MRXNPFEDSA-N -2 3 417.417 3.961 50 0 biogenic HHAAHL Cc1c(CC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)oc2cc([O-])cc([O-])c12 ZINC000009575774 571269608 /nfs/dbraw/zinc/26/96/08/571269608.db2.gz DATVVFMHRFJHJN-UHFFFAOYSA-N -2 3 407.466 3.536 50 0 HHAAHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000001167117 557221881 /nfs/dbraw/zinc/22/18/81/557221881.db2.gz HMOWZSHOZJIGIZ-UHFFFAOYSA-N -2 3 422.915 3.942 50 0 HHAAHL CNc1ccc2c(c1N)C(=O)OC21c2cc(F)c([O-])cc2Oc2cc([O-])c(F)cc21 ZINC000038838713 558818178 /nfs/dbraw/zinc/81/81/78/558818178.db2.gz DIJCILWNOLHJCG-UHFFFAOYSA-N -2 3 412.348 3.568 50 0 HHAAHL CN(Cc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000033253452 558921477 /nfs/dbraw/zinc/92/14/77/558921477.db2.gz XROMJKCGUZGSST-UHFFFAOYSA-N -2 3 414.458 3.961 50 0 HHAAHL CN(Cc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000033253470 558921554 /nfs/dbraw/zinc/92/15/54/558921554.db2.gz RXIUZKODAGDBNQ-UHFFFAOYSA-N -2 3 414.458 3.961 50 0 HHAAHL CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1 ZINC000023125718 559013817 /nfs/dbraw/zinc/01/38/17/559013817.db2.gz MTUIJAMFYCPSIU-IAGOWNOFSA-N -2 3 413.275 3.818 50 0 HHAAHL CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000018203103 560783947 /nfs/dbraw/zinc/78/39/47/560783947.db2.gz GTYSYUNTCAFDQD-AEFFLSMTSA-N -2 3 416.264 3.625 50 0 HHAAHL COc1cccc2c1Oc1nc(-c3cc(Br)ccc3[O-])[n-]c(=O)c1C2 ZINC000020901828 568650049 /nfs/dbraw/zinc/65/00/49/568650049.db2.gz DELVAPMFNUVBOR-UHFFFAOYSA-N -2 3 401.216 3.610 50 0 HHAAHL Cc1cc(C)cc(-n2c([O-])c([C@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)c1 ZINC000009109235 569391531 /nfs/dbraw/zinc/39/15/31/569391531.db2.gz DFRAKKUHVVGWDS-HXUWFJFHSA-N -2 3 418.522 3.934 50 0 biogenic HHAAHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007380 558828112 /nfs/dbraw/zinc/82/81/12/558828112.db2.gz OBXGYXWIDPTUKT-UHFFFAOYSA-N -2 3 418.515 3.965 50 0 HHAAHL O=C([O-])c1ccc(NC(=O)c2nnsc2[N-]C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000016949012 559087169 /nfs/dbraw/zinc/08/71/69/559087169.db2.gz SMCWVISIUVAKOY-UHFFFAOYSA-N -2 3 417.834 3.786 50 0 HHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962097 525084771 /nfs/dbraw/zinc/08/47/71/525084771.db2.gz SGJVNGKPCBMBRS-UHFFFAOYSA-N -2 3 404.488 3.575 50 0 HHAAHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001042292 557153987 /nfs/dbraw/zinc/15/39/87/557153987.db2.gz SNEIREQAAHOVCN-UHFFFAOYSA-N -2 3 416.524 3.905 50 0 HHAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OC(=O)c2ccccc2C)cc1 ZINC000004551825 557566058 /nfs/dbraw/zinc/56/60/58/557566058.db2.gz QCJKDAYRXHHCEL-UHFFFAOYSA-N -2 3 418.453 3.869 50 0 HHAAHL Nc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1Cl ZINC000071975236 558338661 /nfs/dbraw/zinc/33/86/61/558338661.db2.gz QXTJVKZDAAHNMB-UHFFFAOYSA-N -2 3 401.271 3.563 50 0 HHAAHL CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100737149 559260752 /nfs/dbraw/zinc/26/07/52/559260752.db2.gz GTYSYUNTCAFDQD-WMZOPIPTSA-N -2 3 416.264 3.625 50 0 HHAAHL O=P([O-])([O-])[C@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000003188481 560588801 /nfs/dbraw/zinc/58/88/01/560588801.db2.gz PSZXFYKWYZMQPZ-QFIPXVFZSA-N -2 3 420.409 3.900 50 0 HHAAHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1Br ZINC000013265506 560804658 /nfs/dbraw/zinc/80/46/58/560804658.db2.gz JGJLQCYNSWMMBS-UHFFFAOYSA-N -2 3 408.632 3.741 50 0 HHAAHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(F)cc1F ZINC000047317885 560886330 /nfs/dbraw/zinc/88/63/30/560886330.db2.gz MHHGXGDJEJZQOW-UHFFFAOYSA-N -2 3 406.204 3.535 50 0 HHAAHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)ccc1Br ZINC000047383463 560886476 /nfs/dbraw/zinc/88/64/76/560886476.db2.gz KDBOXUGSQYTYMT-UHFFFAOYSA-N -2 3 406.204 3.535 50 0 HHAAHL CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1 ZINC000001062585 568766392 /nfs/dbraw/zinc/76/63/92/568766392.db2.gz YTGBKFXXDWLPFE-OIISXLGYSA-N -2 3 416.543 3.520 50 0 biogenic HHAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc(OC(=O)c2ccc(C)cc2)c1 ZINC000007718834 557757636 /nfs/dbraw/zinc/75/76/36/557757636.db2.gz VIIWEQUXHUIXDU-UHFFFAOYSA-N -2 3 418.453 3.869 50 0 HHAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OC(C)C)cc1OC(C)C ZINC000020139355 558338472 /nfs/dbraw/zinc/33/84/72/558338472.db2.gz AEYGFFGIKGBQFI-UHFFFAOYSA-N -2 3 400.479 3.915 50 0 HHAAHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007390 558827586 /nfs/dbraw/zinc/82/75/86/558827586.db2.gz ANULMQNKTPIQAF-OAHLLOKOSA-N -2 3 418.515 3.821 50 0 HHAAHL CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253441 558921528 /nfs/dbraw/zinc/92/15/28/558921528.db2.gz OCNVFWXMJOACMM-UHFFFAOYSA-N -2 3 402.516 3.984 50 0 HHAAHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000033253643 558922020 /nfs/dbraw/zinc/92/20/20/558922020.db2.gz PRUZIIFLNXKUQU-UHFFFAOYSA-N -2 3 402.516 3.911 50 0 HHAAHL Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1F ZINC000101260591 560789985 /nfs/dbraw/zinc/78/99/85/560789985.db2.gz WUCLKLRJAOLQEK-CVEARBPZSA-N -2 3 417.238 3.703 50 0 HHAAHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(=O)CSC(C)(C)C)c2)cc1 ZINC000030655595 568879702 /nfs/dbraw/zinc/87/97/02/568879702.db2.gz VWBKFAWULXVUEN-UHFFFAOYSA-N -2 3 424.544 3.672 50 0 HHAAHL Cc1cccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2[O-])n1 ZINC000012849103 569010243 /nfs/dbraw/zinc/01/02/43/569010243.db2.gz ONFSYDOACOUBNV-UHFFFAOYSA-N -2 3 417.874 3.802 50 0 HHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000001157824 557215602 /nfs/dbraw/zinc/21/56/02/557215602.db2.gz LXDIQNRCRBSRRR-UHFFFAOYSA-N -2 3 416.524 3.905 50 0 HHAAHL O=C(NCCOC(=O)c1cc([O-])c2ccccc2c1)c1cc2ccccc2cc1[O-] ZINC000003098182 557446329 /nfs/dbraw/zinc/44/63/29/557446329.db2.gz ATLJKRHQLJXLGO-UHFFFAOYSA-N -2 3 401.418 3.991 50 0 HHAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OC(=O)c2ccc(F)cc2)cc1 ZINC000008384212 557784953 /nfs/dbraw/zinc/78/49/53/557784953.db2.gz IXQCHUSAKDZYKV-UHFFFAOYSA-N -2 3 422.416 3.699 50 0 HHAAHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c(C(=O)[O-])c1 ZINC000033007388 558827490 /nfs/dbraw/zinc/82/74/90/558827490.db2.gz YAAVXQIHGXEAHC-UHFFFAOYSA-N -2 3 406.504 3.821 50 0 HHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)cc1C(F)(F)F ZINC000060360551 558871751 /nfs/dbraw/zinc/87/17/51/558871751.db2.gz GBPIUNYQZNNTHT-UHFFFAOYSA-N -2 3 417.405 3.895 50 0 HHAAHL CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100740301 559261610 /nfs/dbraw/zinc/26/16/10/559261610.db2.gz HWFIHDGRLWENLD-SJLPKXTDSA-N -2 3 416.264 3.625 50 0 HHAAHL Cc1cccc(-n2c([O-])c([C@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)c1 ZINC000100755402 559263537 /nfs/dbraw/zinc/26/35/37/559263537.db2.gz KJCATAWQFHHVIF-LJQANCHMSA-N -2 3 404.495 3.626 50 0 biogenic HHAAHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(=O)c3ccc(Cl)o3)c2)cc1 ZINC000012521350 568841910 /nfs/dbraw/zinc/84/19/10/568841910.db2.gz AHZLPAQFQSSUAC-UHFFFAOYSA-N -2 3 422.846 3.700 50 0 HHAAHL O=C(Nc1ccccc1[O-])c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000003635605 557495670 /nfs/dbraw/zinc/49/56/70/557495670.db2.gz VFPIDGYYGNFYMH-UHFFFAOYSA-N -2 3 419.462 3.994 50 0 HHAAHL COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OCc1ccccc1 ZINC000004678913 557580326 /nfs/dbraw/zinc/58/03/26/557580326.db2.gz LJDRJVMFPWMHOD-UHFFFAOYSA-N -2 3 420.469 3.929 50 0 HHAAHL Cc1ccc(OCCSc2nc([O-])c(Cc3ccccc3F)c(=O)[n-]2)cc1C ZINC000096564809 568760854 /nfs/dbraw/zinc/76/08/54/568760854.db2.gz UEWBIOJZKAJICU-UHFFFAOYSA-N -2 3 400.475 3.993 50 0 HHAAHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000007709120 569301700 /nfs/dbraw/zinc/30/17/00/569301700.db2.gz RAZDYTVBQPBECS-UHFFFAOYSA-N -2 3 404.669 3.910 50 0 HHAAHL CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1 ZINC000101260508 560789814 /nfs/dbraw/zinc/78/98/14/560789814.db2.gz MTUIJAMFYCPSIU-SJORKVTESA-N -2 3 413.275 3.818 50 0 HHAAHL O=c1c2[n-][n-]n(-c3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101262554 560789973 /nfs/dbraw/zinc/78/99/73/560789973.db2.gz HMUMZTSLUJAYLT-DLBZAZTESA-N -2 3 400.360 3.692 50 0 HHAAHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1Cl ZINC000013340806 560804754 /nfs/dbraw/zinc/80/47/54/560804754.db2.gz JMFXRCQHELYMFE-UHFFFAOYSA-N -2 3 408.632 3.741 50 0 HHAAHL COC(=O)C[C@H](c1cccnc1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116014 568695441 /nfs/dbraw/zinc/69/54/41/568695441.db2.gz GMVRIJJLAPPBCU-MRXNPFEDSA-N -2 3 417.417 3.961 50 0 biogenic HHAAHL CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000096118180 568697779 /nfs/dbraw/zinc/69/77/79/568697779.db2.gz NCUWQEGFHQDSOK-HOCLYGCPSA-N -2 3 401.488 3.891 50 0 HHAAHL O=c1[n-]c(=S)n(-c2ccc(Cl)cc2)c([O-])c1[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000002155349 569290229 /nfs/dbraw/zinc/29/02/29/569290229.db2.gz ZDPACSZTHPKVPO-GOSISDBHSA-N -2 3 424.913 3.970 50 0 biogenic HHAAHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]N=Cc2cc(Cl)cc(Cl)c2[O-])ccc1Cl ZINC000254875771 970582967 /nfs/dbraw/zinc/58/29/67/970582967.db2.gz IYIWRTGEYDXVCI-UHFFFAOYSA-N -2 3 424.649 3.573 50 0 HHAAHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCCCCC1 ZINC000032962109 526352626 /nfs/dbraw/zinc/35/26/26/526352626.db2.gz MAGRPCJHNICQBB-UHFFFAOYSA-N -2 3 410.442 3.844 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000000671088 557049178 /nfs/dbraw/zinc/04/91/78/557049178.db2.gz SJZJXVLQDNJYLV-UHFFFAOYSA-N -2 3 420.487 3.736 50 0 HHAAHL Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000001147453 557208818 /nfs/dbraw/zinc/20/88/18/557208818.db2.gz COLSFZNVERRXJJ-UHFFFAOYSA-N -2 3 420.487 3.736 50 0 HHAAHL CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1 ZINC000101260510 560789786 /nfs/dbraw/zinc/78/97/86/560789786.db2.gz MTUIJAMFYCPSIU-DLBZAZTESA-N -2 3 413.275 3.818 50 0 HHAAHL Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1F ZINC000101260589 560789825 /nfs/dbraw/zinc/78/98/25/560789825.db2.gz WUCLKLRJAOLQEK-HOTGVXAUSA-N -2 3 417.238 3.703 50 0 HHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2F)c1 ZINC000012551996 568853849 /nfs/dbraw/zinc/85/38/49/568853849.db2.gz LEHBAHBDPFXXGN-UHFFFAOYSA-N -2 3 416.430 3.593 50 0 HHAAHL O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000003325792 568881093 /nfs/dbraw/zinc/88/10/93/568881093.db2.gz GQKVWLZDXIQMLT-UHFFFAOYSA-N -2 3 424.450 3.566 50 0 HHAAHL O=C([O-])c1c([C@H](C(=O)[O-])N2CCSCC2)c2ccccc2n1Cc1ccccc1 ZINC000036360630 569151870 /nfs/dbraw/zinc/15/18/70/569151870.db2.gz CWSKVWFPXMAKMD-LJQANCHMSA-N -2 3 410.495 3.562 50 0 HHAAHL Cc1ccc([N-]S(=O)(=O)c2ccccc2)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000001037066 557151041 /nfs/dbraw/zinc/15/10/41/557151041.db2.gz OXWNQQQDHOCNBE-UHFFFAOYSA-N -2 3 402.497 3.597 50 0 HHAAHL CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100737142 559260774 /nfs/dbraw/zinc/26/07/74/559260774.db2.gz GTYSYUNTCAFDQD-SJLPKXTDSA-N -2 3 416.264 3.625 50 0 HHAAHL COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1Br ZINC000058283298 568699532 /nfs/dbraw/zinc/69/95/32/568699532.db2.gz DAUMVDOFELWMOC-UHFFFAOYSA-N -2 3 414.277 3.574 50 0 HHAAHL COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(F)cc3)n2)cc(OC)c1[O-] ZINC000006733079 569103756 /nfs/dbraw/zinc/10/37/56/569103756.db2.gz WSYDIPWRGZKIMO-UHFFFAOYSA-N -2 3 409.373 3.852 50 0 HHAAHL CCCCn1c([O-])c([C@@H]2NCCc3c4cc(Cl)ccc4[nH]c32)c(=O)[n-]c1=S ZINC000020623515 558394458 /nfs/dbraw/zinc/39/44/58/558394458.db2.gz VVZKIXDJMVNFDH-INIZCTEOSA-N -2 3 404.923 3.781 50 0 HHAAHL CCCCn1c([O-])c([C@H]2NCCc3c4cc(Cl)ccc4[nH]c32)c(=O)[n-]c1=S ZINC000013627969 558551567 /nfs/dbraw/zinc/55/15/67/558551567.db2.gz VVZKIXDJMVNFDH-MRXNPFEDSA-N -2 3 404.923 3.781 50 0 HHAAHL O=C(CSc1nc([O-])c(Cc2ccccc2F)c(=O)[n-]1)Nc1ccc(Cl)cc1 ZINC000013957185 558607788 /nfs/dbraw/zinc/60/77/88/558607788.db2.gz UKRSUAPOVHPKIH-UHFFFAOYSA-N -2 3 419.865 3.590 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C ZINC000016097065 558771721 /nfs/dbraw/zinc/77/17/21/558771721.db2.gz BVEWIPQIIXKBBQ-UHFFFAOYSA-N -2 3 416.524 3.905 50 0 HHAAHL O=c1c2[n-][n-]n(-c3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101262561 560851478 /nfs/dbraw/zinc/85/14/78/560851478.db2.gz HMUMZTSLUJAYLT-IAGOWNOFSA-N -2 3 400.360 3.692 50 0 HHAAHL CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000096118182 568697763 /nfs/dbraw/zinc/69/77/63/568697763.db2.gz NCUWQEGFHQDSOK-GOEBONIOSA-N -2 3 401.488 3.891 50 0 HHAAHL O=C(Nc1ncccc1[O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000012528374 568843917 /nfs/dbraw/zinc/84/39/17/568843917.db2.gz KFGXILKVKKCMBQ-UHFFFAOYSA-N -2 3 421.837 3.633 50 0 HHAAHL O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])N1CCSCC1)cn2Cc1ccccc1 ZINC000036360485 569151612 /nfs/dbraw/zinc/15/16/12/569151612.db2.gz RQZZNJRKCNYJQU-HXUWFJFHSA-N -2 3 410.495 3.562 50 0 HHAAHL O=C([O-])c1c([C@@H](C(=O)[O-])N2CCSCC2)c2ccccc2n1Cc1ccccc1 ZINC000036360629 569151824 /nfs/dbraw/zinc/15/18/24/569151824.db2.gz CWSKVWFPXMAKMD-IBGZPJMESA-N -2 3 410.495 3.562 50 0 HHAAHL O=C([O-])c1ccc(-n2cccc2/C=C2\[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000002127611 569286350 /nfs/dbraw/zinc/28/63/50/569286350.db2.gz IKVPOLNVUFKFCV-PDGQHHTCSA-N -2 3 407.813 3.926 50 0 HHAAHL O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-])c1ccccc1[O-] ZINC000024840853 558616836 /nfs/dbraw/zinc/61/68/36/558616836.db2.gz CWKDBXUSRFLJAV-UHFFFAOYSA-N -3 3 418.858 3.804 50 0 HHAAHL CCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H](C(=O)[O-])C(C)C ZINC000065749016 558981582 /nfs/dbraw/zinc/98/15/82/558981582.db2.gz OKAQHVJSXLGXET-NRFANRHFSA-N -2 3 421.501 3.772 50 0 HHAAHL CCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H](C(=O)[O-])C(C)C ZINC000065749016 558981584 /nfs/dbraw/zinc/98/15/84/558981584.db2.gz OKAQHVJSXLGXET-NRFANRHFSA-N -2 3 421.501 3.772 50 0 HHAAHL Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)cc1F ZINC000101260594 560851515 /nfs/dbraw/zinc/85/15/15/560851515.db2.gz WUCLKLRJAOLQEK-JKSUJKDBSA-N -2 3 417.238 3.703 50 0 HHAAHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3[O-])ccc2C)cc1 ZINC000012508069 568839653 /nfs/dbraw/zinc/83/96/53/568839653.db2.gz QQVNTFMJBPXSLG-UHFFFAOYSA-N -2 3 412.467 3.762 50 0 HHAAHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000032962052 520436373 /nfs/dbraw/zinc/43/63/73/520436373.db2.gz RHMGTUNAWMGVOO-UHFFFAOYSA-N -2 3 404.488 3.625 50 0 HHAAHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007392 558827605 /nfs/dbraw/zinc/82/76/05/558827605.db2.gz ANULMQNKTPIQAF-HNNXBMFYSA-N -2 3 418.515 3.821 50 0 HHAAHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1 ZINC000060738720 559060636 /nfs/dbraw/zinc/06/06/36/559060636.db2.gz KHJBWKHSUGPHHA-UHFFFAOYSA-N -2 3 411.414 3.868 50 0 HHAAHL CCc1ccc(-n2c([O-])c([C@@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)cc1 ZINC000100752451 559263372 /nfs/dbraw/zinc/26/33/72/559263372.db2.gz KKACRSMSNMAPQG-FQEVSTJZSA-N -2 3 418.522 3.879 50 0 biogenic HHAAHL CC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100893653 560762129 /nfs/dbraw/zinc/76/21/29/560762129.db2.gz PCZFBAGVSDZJCK-FUHWJXTLSA-N -2 3 416.264 3.625 50 0 HHAAHL O=c1cc(Nc2ccccc2)[n-]n1-c1ccc(Oc2ccccc2)c(S(=O)(=O)[O-])c1 ZINC000004065220 568937592 /nfs/dbraw/zinc/93/75/92/568937592.db2.gz CJFLMQCTXQZOEU-UHFFFAOYSA-N -2 3 423.450 3.888 50 0 HHAAHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000089624130 569261368 /nfs/dbraw/zinc/26/13/68/569261368.db2.gz BGWRDFNDWOBSJG-UHFFFAOYSA-N -2 3 416.524 3.905 50 0 HHAAHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962107 521210372 /nfs/dbraw/zinc/21/03/72/521210372.db2.gz RZFRIZDUXZGJJD-UHFFFAOYSA-N -2 3 418.515 3.965 50 0 HHAAHL CCOC(=O)[C@@]([N-]C(C)=O)([N-]c1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000002344629 557338826 /nfs/dbraw/zinc/33/88/26/557338826.db2.gz QDEUCTBZZLTRQV-GFCCVEGCSA-N -2 3 406.710 3.729 50 0 HHAAHL CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)c(=O)[n-]c1=S ZINC000101456093 560795390 /nfs/dbraw/zinc/79/53/90/560795390.db2.gz APPRWOYPIYLXIJ-HNNXBMFYSA-N -2 3 420.922 3.763 50 0 HHAAHL Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000102818663 560829448 /nfs/dbraw/zinc/82/94/48/560829448.db2.gz XVQMWAKJOCKHRD-SJORKVTESA-N -2 3 413.275 3.872 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c(Br)c1 ZINC000047317923 560886306 /nfs/dbraw/zinc/88/63/06/560886306.db2.gz XGFHCHOCJQOWNU-UHFFFAOYSA-N -2 3 406.204 3.535 50 0 HHAAHL Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000000813903 557088726 /nfs/dbraw/zinc/08/87/26/557088726.db2.gz KOIQBYWJXAINHF-UHFFFAOYSA-N -2 3 408.526 3.658 50 0 HHAAHL O=C(NCCNC(=O)c1cc2ccccc2cc1[O-])c1cc2ccccc2cc1[O-] ZINC000002201770 557326056 /nfs/dbraw/zinc/32/60/56/557326056.db2.gz XHUFWDAAPLRHHO-UHFFFAOYSA-N -2 3 400.434 3.564 50 0 HHAAHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccccc1 ZINC000016124640 558772991 /nfs/dbraw/zinc/77/29/91/558772991.db2.gz USTDFBNNOHABGS-UHFFFAOYSA-N -2 3 422.915 3.942 50 0 HHAAHL CCCN(CCC)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000033253488 558921708 /nfs/dbraw/zinc/92/17/08/558921708.db2.gz GVFWLWLEDVPCPD-UHFFFAOYSA-N -2 3 406.504 3.821 50 0 HHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c(Cl)c1 ZINC000003349747 568885262 /nfs/dbraw/zinc/88/52/62/568885262.db2.gz YPEFEVJKQNAJKA-UHFFFAOYSA-N -2 3 404.669 3.910 50 0 HHAAHL CCCCn1c([O-])c(C2=NN[C@@H](c3ccc(Br)cc3)C2)c(=O)[n-]c1=S ZINC000015834783 569013004 /nfs/dbraw/zinc/01/30/04/569013004.db2.gz GGYMJHFHHGHSBO-GFCCVEGCSA-N -2 3 423.336 3.613 50 0 HHAAHL Cc1cc(C)cc(-n2c([O-])c([C@@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)c1 ZINC000009109236 569391518 /nfs/dbraw/zinc/39/15/18/569391518.db2.gz DFRAKKUHVVGWDS-FQEVSTJZSA-N -2 3 418.522 3.934 50 0 biogenic HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000001147058 557208577 /nfs/dbraw/zinc/20/85/77/557208577.db2.gz HUAFDHZWYKPLLO-UHFFFAOYSA-N -2 3 416.524 3.905 50 0 HHAAHL O=C([O-])c1ccc(-n2cccc2/C=C2/[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000003644784 557496228 /nfs/dbraw/zinc/49/62/28/557496228.db2.gz LGGQLLZWDFVEOL-LDADJPATSA-N -2 3 407.813 3.926 50 0 HHAAHL CSc1nc2c(c(=O)[n-]1)C(c1ccc(Cl)cc1)c1c(=O)[n-]c(SC)nc1O2 ZINC000015798847 558753712 /nfs/dbraw/zinc/75/37/12/558753712.db2.gz KLWUIENBTVYNLB-UHFFFAOYSA-N -2 3 420.903 3.649 50 0 HHAAHL O=c1c2[n-][n-]n(-c3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000023126623 559013803 /nfs/dbraw/zinc/01/38/03/559013803.db2.gz HMUMZTSLUJAYLT-SJORKVTESA-N -2 3 400.360 3.692 50 0 HHAAHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000060800470 559067712 /nfs/dbraw/zinc/06/77/12/559067712.db2.gz BZZLMMCOCQMKOF-UHFFFAOYSA-N -2 3 406.479 3.869 50 0 HHAAHL CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100740304 559261565 /nfs/dbraw/zinc/26/15/65/559261565.db2.gz HWFIHDGRLWENLD-FUHWJXTLSA-N -2 3 416.264 3.625 50 0 HHAAHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1C ZINC000010516510 571304195 /nfs/dbraw/zinc/30/41/95/571304195.db2.gz LBMLDACJQMDIRM-UHFFFAOYSA-N -2 3 403.378 3.744 50 0 HHAAHL Cc1ccc(-n2c3c(c(=O)[n-]c2=S)C(C(F)(F)F)(C(F)(F)F)[N-]C(=O)N3)cc1 ZINC000002883673 557420669 /nfs/dbraw/zinc/42/06/69/557420669.db2.gz UDLYAEBUMZMMRF-UHFFFAOYSA-N -2 3 424.326 3.659 50 0 HHAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc(OC(=O)c2ccccc2F)c1 ZINC000019831837 558291684 /nfs/dbraw/zinc/29/16/84/558291684.db2.gz ZBYPHMXRUCVJTM-UHFFFAOYSA-N -2 3 422.416 3.699 50 0 HHAAHL O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000035350983 558782207 /nfs/dbraw/zinc/78/22/07/558782207.db2.gz OHOBRINTNILUNR-UHFFFAOYSA-N -2 3 414.414 3.577 50 0 HHAAHL CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1[O-] ZINC000016688270 558799921 /nfs/dbraw/zinc/79/99/21/558799921.db2.gz VDECGHQPSPIHBS-UITAMQMPSA-N -2 3 407.254 3.725 50 0 HHAAHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCC(=O)[O-])cc2)c(C)c1 ZINC000017082865 558815249 /nfs/dbraw/zinc/81/52/49/558815249.db2.gz JASSUOMHYKAMDG-UHFFFAOYSA-N -2 3 404.488 3.606 50 0 HHAAHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962114 518409436 /nfs/dbraw/zinc/40/94/36/518409436.db2.gz WBKYFFDVOXOBRH-UHFFFAOYSA-N -2 3 416.499 3.769 50 0 HHAAHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c(Cl)c1 ZINC000032585893 525296798 /nfs/dbraw/zinc/29/67/98/525296798.db2.gz OANXMVUVCGWQQO-UHFFFAOYSA-N -2 3 410.698 3.971 50 0 HHAAHL O=c1[n-]c(=S)n(-c2cccc(C(F)(F)F)c2)c([O-])c1[C@@H]1NCCc2ccccc21 ZINC000020188815 558344366 /nfs/dbraw/zinc/34/43/66/558344366.db2.gz VOQVGWHSWHYXFG-MRXNPFEDSA-N -2 3 419.428 3.855 50 0 HHAAHL CC[C@@H](C)n1c([O-])c([C@@H]2NCCc3c4cc(Cl)ccc4[nH]c32)c(=O)[n-]c1=S ZINC000020622433 558394090 /nfs/dbraw/zinc/39/40/90/558394090.db2.gz DSEVQDYZZJLHMH-ABKXIKBNSA-N -2 3 404.923 3.952 50 0 HHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C2CCCCC2)c1 ZINC000024991080 558625849 /nfs/dbraw/zinc/62/58/49/558625849.db2.gz UJUALHLBYDLUSM-UHFFFAOYSA-N -2 3 404.488 3.720 50 0 HHAAHL CCCCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000033253553 558921724 /nfs/dbraw/zinc/92/17/24/558921724.db2.gz QHWBHQFIHLXCOZ-UHFFFAOYSA-N -2 3 406.504 3.821 50 0 HHAAHL O=C([O-])c1cccc(-n2cccc2/C=C2\[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000033286862 559043754 /nfs/dbraw/zinc/04/37/54/559043754.db2.gz SKNKQCUDNWAXHL-PDGQHHTCSA-N -2 3 407.813 3.926 50 0 HHAAHL CC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100893651 560762115 /nfs/dbraw/zinc/76/21/15/560762115.db2.gz PCZFBAGVSDZJCK-WMZOPIPTSA-N -2 3 416.264 3.625 50 0 HHAAHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962168 525084751 /nfs/dbraw/zinc/08/47/51/525084751.db2.gz GYFPFFRCJGUGPI-UHFFFAOYSA-N -2 3 418.515 3.965 50 0 HHAAHL CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)c(=O)[n-]c1=S ZINC000101456095 560795339 /nfs/dbraw/zinc/79/53/39/560795339.db2.gz APPRWOYPIYLXIJ-OAHLLOKOSA-N -2 3 420.922 3.763 50 0 HHAAHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)ccc1Br ZINC000013345804 560804823 /nfs/dbraw/zinc/80/48/23/560804823.db2.gz IJYLFUCLKMBTFB-UHFFFAOYSA-N -2 3 408.632 3.741 50 0 HHAAHL Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000012556955 568855928 /nfs/dbraw/zinc/85/59/28/568855928.db2.gz JKBSJOHGFGCNSU-UHFFFAOYSA-N -2 3 420.487 3.736 50 0 HHAAHL COc1ccc(-c2c(C(=O)[O-])cc([O-])c3c2cc(OC)c(OC)c3OC)cc1OC ZINC000001672460 569287929 /nfs/dbraw/zinc/28/79/29/569287929.db2.gz GFELIWYJKIFMIG-UHFFFAOYSA-N -2 3 414.410 3.954 50 0 HHAAHL CCOc1cc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc(Cl)c1[O-] ZINC000097993534 969182788 /nfs/dbraw/zinc/18/27/88/969182788.db2.gz UDPINHRVERRFPF-GHXNOFRVSA-N -2 3 412.829 3.797 50 0 HHAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000004363703 557547012 /nfs/dbraw/zinc/54/70/12/557547012.db2.gz DUECNVLLKAXZOT-UHFFFAOYSA-N -2 3 404.426 3.560 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1C(=O)[O-] ZINC000013279010 558528600 /nfs/dbraw/zinc/52/86/00/558528600.db2.gz ZBVJXBDUYGGKGO-UHFFFAOYSA-N -2 3 403.456 3.926 50 0 HHAAHL Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004521952 558652778 /nfs/dbraw/zinc/65/27/78/558652778.db2.gz NPDDPEWNXUMDNZ-UHFFFAOYSA-N -2 3 408.526 3.658 50 0 HHAAHL Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000102818661 560829478 /nfs/dbraw/zinc/82/94/78/560829478.db2.gz XVQMWAKJOCKHRD-IRXDYDNUSA-N -2 3 413.275 3.872 50 0 HHAAHL Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000102818665 560829523 /nfs/dbraw/zinc/82/95/23/560829523.db2.gz XVQMWAKJOCKHRD-IAGOWNOFSA-N -2 3 413.275 3.872 50 0 HHAAHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000095980035 568675402 /nfs/dbraw/zinc/67/54/02/568675402.db2.gz XMFVHXYLZDFYIJ-UHFFFAOYSA-N -2 3 414.524 3.513 50 0 HHAAHL CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc([O-])c(Cl)c2)CCO1 ZINC000096232806 568708338 /nfs/dbraw/zinc/70/83/38/568708338.db2.gz PFBBIGUWCWSLAT-MEDUHNTESA-N -2 3 423.922 3.853 50 0 HHAAHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CC2CCCC2)c1 ZINC000012630278 568883488 /nfs/dbraw/zinc/88/34/88/568883488.db2.gz ASLVUOCSPANEDV-UHFFFAOYSA-N -2 3 404.488 3.720 50 0 HHAAHL Cc1ccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2[O-])cn1 ZINC000012743061 568930077 /nfs/dbraw/zinc/93/00/77/568930077.db2.gz YOBXCLSDWBGPLN-UHFFFAOYSA-N -2 3 417.874 3.802 50 0 HHAAHL CCOC(=O)[C@]([N-]C(C)=O)([N-]c1ccc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000002344628 557338814 /nfs/dbraw/zinc/33/88/14/557338814.db2.gz QDEUCTBZZLTRQV-LBPRGKRZSA-N -2 3 406.710 3.729 50 0 HHAAHL CC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000013778058 558592882 /nfs/dbraw/zinc/59/28/82/558592882.db2.gz PCZFBAGVSDZJCK-SJLPKXTDSA-N -2 3 416.264 3.625 50 0 HHAAHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000017093352 558821851 /nfs/dbraw/zinc/82/18/51/558821851.db2.gz VHZJQBWKXBKGSM-UHFFFAOYSA-N -2 3 422.915 3.942 50 0 HHAAHL O=c1c2[n-][n-]n(-c3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000101262558 560789960 /nfs/dbraw/zinc/78/99/60/560789960.db2.gz HMUMZTSLUJAYLT-IRXDYDNUSA-N -2 3 400.360 3.692 50 0 HHAAHL CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007344 568510141 /nfs/dbraw/zinc/51/01/41/568510141.db2.gz AZSMGGBSAAQGLG-OAHLLOKOSA-N -2 3 402.516 3.984 50 0 HHAAHL CCCCn1c([O-])c(C2=NN[C@H](c3ccc(Br)cc3)C2)c(=O)[n-]c1=S ZINC000015834786 569012990 /nfs/dbraw/zinc/01/29/90/569012990.db2.gz GGYMJHFHHGHSBO-LBPRGKRZSA-N -2 3 423.336 3.613 50 0 HHAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)(C)C)c2)cc1C(=O)[O-] ZINC000045946924 524327471 /nfs/dbraw/zinc/32/74/71/524327471.db2.gz YIRJSFVFYPDBFF-UHFFFAOYSA-N -2 3 404.488 3.787 50 0 HHAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000001230292 557249058 /nfs/dbraw/zinc/24/90/58/557249058.db2.gz HQCULYPPSQHBBR-UHFFFAOYSA-N -2 3 416.524 3.905 50 0 HHAAHL CCCCc1ccc([N-]S(=O)(=O)c2cc3cccc4c3c(c2)C(=O)[N-]C4=O)cc1 ZINC000002685294 557367494 /nfs/dbraw/zinc/36/74/94/557367494.db2.gz MYPORQJFBQOGAK-UHFFFAOYSA-N -2 3 408.479 3.867 50 0 HHAAHL O=C(CSc1nnc(SCC(=O)c2ccc([O-])cc2)s1)c1ccc([O-])cc1 ZINC000008815679 557809550 /nfs/dbraw/zinc/80/95/50/557809550.db2.gz PJIJANAYAURAHY-UHFFFAOYSA-N -2 3 418.521 3.899 50 0 HHAAHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000033253648 558921926 /nfs/dbraw/zinc/92/19/26/558921926.db2.gz JLAKTRLVDJBLEH-UHFFFAOYSA-N -2 3 412.895 3.694 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000059255382 558933009 /nfs/dbraw/zinc/93/30/09/558933009.db2.gz BTFPHOYCXKKYFQ-UHFFFAOYSA-N -2 3 402.497 3.597 50 0 HHAAHL O=P([O-])([O-])[C@@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000003188479 560588736 /nfs/dbraw/zinc/58/87/36/560588736.db2.gz PSZXFYKWYZMQPZ-JOCHJYFZSA-N -2 3 420.409 3.900 50 0 HHAAHL CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc([O-])c(Cl)c2)CCO1 ZINC000096232803 568708485 /nfs/dbraw/zinc/70/84/85/568708485.db2.gz PFBBIGUWCWSLAT-BZNIZROVSA-N -2 3 423.922 3.853 50 0 HHAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OC(=O)c2ccccc2F)cc1 ZINC000009014900 557819464 /nfs/dbraw/zinc/81/94/64/557819464.db2.gz NKTVSUCPQYTWLX-UHFFFAOYSA-N -2 3 422.416 3.699 50 0 HHAAHL CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3[O-])c2)cc1 ZINC000022024259 558458766 /nfs/dbraw/zinc/45/87/66/558458766.db2.gz MSUKKVURUCMFJH-UHFFFAOYSA-N -2 3 412.467 3.844 50 0 HHAAHL CC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100893652 560762139 /nfs/dbraw/zinc/76/21/39/560762139.db2.gz PCZFBAGVSDZJCK-AEFFLSMTSA-N -2 3 416.264 3.625 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)cc1 ZINC000000652432 568459331 /nfs/dbraw/zinc/45/93/31/568459331.db2.gz DRYNNGBUJCIXDG-RBUKOAKNSA-N -2 3 416.499 3.625 50 0 HHAAHL O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1ccc([O-])c(Cl)c1)SCC(=O)N2 ZINC000096118341 568697896 /nfs/dbraw/zinc/69/78/96/568697896.db2.gz SACFVTGXPXXZPD-OAHLLOKOSA-N -2 3 411.936 3.791 50 0 HHAAHL CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc([O-])c(Cl)c2)CCO1 ZINC000096232805 568708512 /nfs/dbraw/zinc/70/85/12/568708512.db2.gz PFBBIGUWCWSLAT-BDJLRTHQSA-N -2 3 423.922 3.853 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012605386 568871000 /nfs/dbraw/zinc/87/10/00/568871000.db2.gz CUEMSQSDMJHFOA-UHFFFAOYSA-N -2 3 420.487 3.736 50 0 HHAAHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000032111883 568915566 /nfs/dbraw/zinc/91/55/66/568915566.db2.gz JFOCXAZWHZLNEK-UHFFFAOYSA-N -2 3 402.497 3.597 50 0 HHAAHL CCCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c([O-])cc1OCC(=O)[O-] ZINC000008740256 571110339 /nfs/dbraw/zinc/11/03/39/571110339.db2.gz PTZAWHDSFJGRSE-UHFFFAOYSA-N -2 3 424.453 3.945 50 0 biogenic HHAAHL O=C([O-])c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000000671077 557049100 /nfs/dbraw/zinc/04/91/00/557049100.db2.gz DEDQDAITDQHFIE-UHFFFAOYSA-N -2 3 414.414 3.577 50 0 HHAAHL O=C([N-]C1CCC(CC2CCC([N-]C(=O)C(F)(F)F)CC2)CC1)C(F)(F)F ZINC000002751749 557379363 /nfs/dbraw/zinc/37/93/63/557379363.db2.gz PFZQWHDKMWMQFY-UHFFFAOYSA-N -2 3 402.379 3.851 50 0 HHAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OC(=O)c2cccc(C)c2)cc1 ZINC000004363547 557546965 /nfs/dbraw/zinc/54/69/65/557546965.db2.gz DNMMMTXXIBSWFC-UHFFFAOYSA-N -2 3 418.453 3.869 50 0 HHAAHL CC[C@H](C)n1c([O-])c([C@@H]2NCCc3c4cc(Cl)ccc4[nH]c32)c(=O)[n-]c1=S ZINC000020622436 558394075 /nfs/dbraw/zinc/39/40/75/558394075.db2.gz DSEVQDYZZJLHMH-FVMDXXJSSA-N -2 3 404.923 3.952 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccccc1[O-] ZINC000022024257 558984866 /nfs/dbraw/zinc/98/48/66/558984866.db2.gz DGCAPAWCFLEMMT-UHFFFAOYSA-N -2 3 400.431 3.893 50 0 HHAAHL Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Br)c(C)c4)c=3c2=O)c1 ZINC000023125742 559013772 /nfs/dbraw/zinc/01/37/72/559013772.db2.gz XVQMWAKJOCKHRD-DLBZAZTESA-N -2 3 413.275 3.872 50 0 HHAAHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)c(F)c1 ZINC000089616772 569261263 /nfs/dbraw/zinc/26/12/63/569261263.db2.gz KCBNURIHKMLUBT-UHFFFAOYSA-N -2 3 406.204 3.535 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000641922 557033168 /nfs/dbraw/zinc/03/31/68/557033168.db2.gz URBKDTWJYJXMOZ-UHFFFAOYSA-N -2 3 416.524 3.905 50 0 HHAAHL CCOC(=O)c1cccc(-c2ccc(C(c3c(C)[n-][nH]c3=O)c3c(C)[n-][nH]c3=O)o2)c1 ZINC000019974286 558317399 /nfs/dbraw/zinc/31/73/99/558317399.db2.gz USYYNNJRLKEMQV-UHFFFAOYSA-N -2 3 422.441 3.778 50 0 HHAAHL CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2C(=O)[O-])cc1 ZINC000033007332 558827837 /nfs/dbraw/zinc/82/78/37/558827837.db2.gz GGEQCGMSULKOJU-UHFFFAOYSA-N -2 3 402.516 3.984 50 0 HHAAHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)cc1 ZINC000000652436 568459311 /nfs/dbraw/zinc/45/93/11/568459311.db2.gz DRYNNGBUJCIXDG-RTBURBONSA-N -2 3 416.499 3.625 50 0 HHAAHL CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc([O-])c(Cl)c2)CCO1 ZINC000096232804 568708289 /nfs/dbraw/zinc/70/82/89/568708289.db2.gz PFBBIGUWCWSLAT-ZBEGNZNMSA-N -2 3 423.922 3.853 50 0 HHAAHL