smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000793061618 1078069890 /nfs/dbraw/zinc/06/98/90/1078069890.db2.gz JHWPTFUBKVLXBV-UHFFFAOYSA-N -1 1 424.198 2.885 20 10 HFCDMM COc1ccc(CCC(=O)N2CCCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000789968255 1077874973 /nfs/dbraw/zinc/87/49/73/1077874973.db2.gz XWVKOCJHZLSDSJ-UHFFFAOYSA-N -1 1 416.449 2.553 20 10 HFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000792702479 1077978154 /nfs/dbraw/zinc/97/81/54/1077978154.db2.gz VCXQSTWKZZGZSV-UHFFFAOYSA-N -1 1 401.531 2.935 20 10 HFCDMM CCN1CCN(c2ccc(CNC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2F)CC1 ZINC000780569959 939134096 /nfs/dbraw/zinc/13/40/96/939134096.db2.gz XPEQNIBNCLIKTO-HXUWFJFHSA-N -1 1 414.481 2.593 20 10 HFCDMM COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000789952490 1077866019 /nfs/dbraw/zinc/86/60/19/1077866019.db2.gz FTNXGXHZPBKMDD-QGZVFWFLSA-N -1 1 422.840 2.562 20 10 HFCDMM C[C@@H]1CN(c2nc3ccccc3nc2NCC(=O)c2ccc([O-])c(O)c2)C[C@@H](C)O1 ZINC001170315832 1077941539 /nfs/dbraw/zinc/94/15/39/1077941539.db2.gz HJZZHXQUCRZXDD-ZIAGYGMSSA-N -1 1 408.458 2.949 20 10 HFCDMM O=S(=O)([N-]Cc1ccc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1F ZINC000790153933 1077965875 /nfs/dbraw/zinc/96/58/75/1077965875.db2.gz KYIFFRYUKLLVBO-UHFFFAOYSA-N -1 1 402.850 2.933 20 10 HFCDMM COCCNC(=O)c1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000806628972 1079885774 /nfs/dbraw/zinc/88/57/74/1079885774.db2.gz PIGDPWIWHWSKNT-UHFFFAOYSA-N -1 1 422.279 2.853 20 10 HFCDMM C[C@H](c1ccccc1)N(C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(N)cc1 ZINC000807001670 1080179178 /nfs/dbraw/zinc/17/91/78/1080179178.db2.gz BNLIRDIUBYZPBL-OAHLLOKOSA-N -1 1 414.469 2.657 20 10 HFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c(C)cc1F ZINC000793368287 1078150682 /nfs/dbraw/zinc/15/06/82/1078150682.db2.gz UXPICGLPGLFJKH-UHFFFAOYSA-N -1 1 408.451 2.558 20 10 HFCDMM Cn1cc(-c2cc(F)ccc2NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC000794132143 1078376615 /nfs/dbraw/zinc/37/66/15/1078376615.db2.gz QSKMOZCAJBJJIZ-UHFFFAOYSA-N -1 1 404.423 2.556 20 10 HFCDMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCc3ccc(N(C)C)cc3)c2)n1 ZINC000788543091 1077194667 /nfs/dbraw/zinc/19/46/67/1077194667.db2.gz VABJKDIBSQLJEG-UHFFFAOYSA-N -1 1 422.489 2.714 20 10 HFCDMM C[Si](C)(C)CCOCn1nnc2ncc(NCC(=O)c3ccc([O-])c(O)c3)cc21 ZINC001170321732 1077943056 /nfs/dbraw/zinc/94/30/56/1077943056.db2.gz DZFLJKAJZQAVIA-UHFFFAOYSA-N -1 1 415.526 2.845 20 10 HFCDMM CCOC(=O)C1([S@](C)=O)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC001170364468 1077950796 /nfs/dbraw/zinc/95/07/96/1077950796.db2.gz FWVLERNSOPFWFY-SANMLTNESA-N -1 1 401.912 2.524 20 10 HFCDMM CC1(C)CN(C(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 ZINC000790231507 1077981454 /nfs/dbraw/zinc/98/14/54/1077981454.db2.gz OTEFCCYXUPYHSZ-UHFFFAOYSA-N -1 1 405.432 2.583 20 10 HFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(CNC(=O)CC)c1 ZINC000790410959 1078020479 /nfs/dbraw/zinc/02/04/79/1078020479.db2.gz GANOSNATLGMETO-UHFFFAOYSA-N -1 1 408.476 2.627 20 10 HFCDMM CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C2 ZINC000792921788 1078026859 /nfs/dbraw/zinc/02/68/59/1078026859.db2.gz NMHJQZGJPIWMTM-UHFFFAOYSA-N -1 1 408.907 2.715 20 10 HFCDMM C[C@H]1CC[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000804855981 1078727287 /nfs/dbraw/zinc/72/72/87/1078727287.db2.gz WCDZVYZFFFGUMG-MEDUHNTESA-N -1 1 405.432 2.630 20 10 HFCDMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)c(Br)n1C ZINC000804948988 1078777728 /nfs/dbraw/zinc/77/77/28/1078777728.db2.gz NVIGOHJXEUDQLJ-UHFFFAOYSA-N -1 1 413.341 2.570 20 10 HFCDMM CN1CCN(c2ncccc2CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000805003661 1078848755 /nfs/dbraw/zinc/84/87/55/1078848755.db2.gz SEGIQHVSYWWXEA-UHFFFAOYSA-N -1 1 424.332 2.845 20 10 HFCDMM O=C(NCCn1cc(Br)cn1)NCc1cccc(Br)c1[O-] ZINC000805838993 1079277681 /nfs/dbraw/zinc/27/76/81/1079277681.db2.gz AHAZCYMCNOTXFV-UHFFFAOYSA-N -1 1 418.089 2.613 20 10 HFCDMM O=C(CCN1C(=O)CNC1=O)Nc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790976259 1077268836 /nfs/dbraw/zinc/26/88/36/1077268836.db2.gz HTEGTPNGLSANBP-UHFFFAOYSA-N -1 1 420.828 2.677 20 10 HFCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])NC(=O)OC(C)(C)C ZINC000792265757 1077786513 /nfs/dbraw/zinc/78/65/13/1077786513.db2.gz YJSLNDVLBKPCQC-SNVBAGLBSA-N -1 1 402.289 2.867 20 10 HFCDMM Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000790131503 1077952491 /nfs/dbraw/zinc/95/24/91/1077952491.db2.gz ARHGEOIMZUABFC-UHFFFAOYSA-N -1 1 422.413 2.695 20 10 HFCDMM COc1cc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc(Cl)c1[O-] ZINC000787322323 1076765909 /nfs/dbraw/zinc/76/59/09/1076765909.db2.gz OYXODMKIMLDUTM-UHFFFAOYSA-N -1 1 417.893 2.653 20 10 HFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000790415733 1078021618 /nfs/dbraw/zinc/02/16/18/1078021618.db2.gz JUUVCCAHWLFNQF-UHFFFAOYSA-N -1 1 403.909 2.953 20 10 HFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000790416367 1078021869 /nfs/dbraw/zinc/02/18/69/1078021869.db2.gz VHWLVGMOMKWEHO-UHFFFAOYSA-N -1 1 424.544 2.930 20 10 HFCDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000747396186 1080571569 /nfs/dbraw/zinc/57/15/69/1080571569.db2.gz OPZZPUVPPBBSNM-UHFFFAOYSA-N -1 1 412.534 2.927 20 10 HFCDMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccc2O)c(F)cc1Br ZINC000751151731 1077031833 /nfs/dbraw/zinc/03/18/33/1077031833.db2.gz WAKGUZWZMYEELV-UHFFFAOYSA-N -1 1 418.240 2.559 20 10 HFCDMM O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1c(F)ccc(O)c1[O-] ZINC000790070670 1077921178 /nfs/dbraw/zinc/92/11/78/1077921178.db2.gz YRYDTFVUDYAEHG-ZROIWOOFSA-N -1 1 420.393 2.842 20 10 HFCDMM O=C(CNc1ncc(I)c2ncccc12)c1ccc([O-])c(O)c1 ZINC001170314499 1077940850 /nfs/dbraw/zinc/94/08/50/1077940850.db2.gz BDMYSEGFTIFPLY-UHFFFAOYSA-N -1 1 421.194 2.940 20 10 HFCDMM CCCCCCn1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c(=O)[nH]c1=O ZINC000792702698 1077978521 /nfs/dbraw/zinc/97/85/21/1077978521.db2.gz XLXDMILFRFSIJY-UHFFFAOYSA-N -1 1 413.521 2.758 20 10 HFCDMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccnc1-2 ZINC000806491606 1079743184 /nfs/dbraw/zinc/74/31/84/1079743184.db2.gz OHXQPDXDOCBCBY-ZDUSSCGKSA-N -1 1 416.432 2.734 20 10 HFCDMM CCN1CCN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2F)CC1 ZINC000780569957 939133961 /nfs/dbraw/zinc/13/39/61/939133961.db2.gz XPEQNIBNCLIKTO-FQEVSTJZSA-N -1 1 414.481 2.593 20 10 HFCDMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000787719072 1076925184 /nfs/dbraw/zinc/92/51/84/1076925184.db2.gz MUIZLUXUETYXPO-JLVBRIDZSA-N -1 1 417.443 2.630 20 10 HFCDMM O=S(=O)(c1cccc(NCc2c([O-])ccc(Cl)c2F)c1)N1CCC(O)CC1 ZINC000790993364 1077263479 /nfs/dbraw/zinc/26/34/79/1077263479.db2.gz UMUBAPGJZRTSBZ-UHFFFAOYSA-N -1 1 414.886 2.942 20 10 HFCDMM O=C(NCc1ccncc1)Nc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789972982 1077902429 /nfs/dbraw/zinc/90/24/29/1077902429.db2.gz ANYUKZVSYWNIRK-UHFFFAOYSA-N -1 1 410.405 2.884 20 10 HFCDMM O=C(NCCc1ccc(I)s1)c1c(F)ccc(O)c1[O-] ZINC000789974531 1077902635 /nfs/dbraw/zinc/90/26/35/1077902635.db2.gz REPIEIIVTLPPFF-UHFFFAOYSA-N -1 1 407.204 2.876 20 10 HFCDMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(O)cc3SC)ccc2O1 ZINC000792701922 1077978413 /nfs/dbraw/zinc/97/84/13/1077978413.db2.gz HVDZGNFQNIXRTL-INIZCTEOSA-N -1 1 409.485 2.782 20 10 HFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000747361009 1080073124 /nfs/dbraw/zinc/07/31/24/1080073124.db2.gz GQBOPZHZDHXWBI-TXEJJXNPSA-N -1 1 420.510 2.895 20 10 HFCDMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000787318475 1076761545 /nfs/dbraw/zinc/76/15/45/1076761545.db2.gz AEVORSPRUGVHFN-JTQLQIEISA-N -1 1 415.851 2.958 20 10 HFCDMM COc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)ccc1F ZINC000788048614 1077041190 /nfs/dbraw/zinc/04/11/90/1077041190.db2.gz ULKCQWPZNRMYHY-UHFFFAOYSA-N -1 1 408.860 2.660 20 10 HFCDMM O=C(c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCCCCO1 ZINC000788569247 1077208454 /nfs/dbraw/zinc/20/84/54/1077208454.db2.gz CRKJOMORGOLGGM-UHFFFAOYSA-N -1 1 421.431 2.659 20 10 HFCDMM COc1ccc(CCS(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000788679951 1077248286 /nfs/dbraw/zinc/24/82/86/1077248286.db2.gz KFGMZJCMZOYPGT-UHFFFAOYSA-N -1 1 400.294 2.825 20 10 HFCDMM CCCN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccc(F)cc21 ZINC000791047184 1077282559 /nfs/dbraw/zinc/28/25/59/1077282559.db2.gz UFYGGRBVUDVZGG-UHFFFAOYSA-N -1 1 407.467 2.780 20 10 HFCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])NC(=O)OC(C)(C)C ZINC000792265755 1077786627 /nfs/dbraw/zinc/78/66/27/1077786627.db2.gz YJSLNDVLBKPCQC-JTQLQIEISA-N -1 1 402.289 2.867 20 10 HFCDMM C[C@@H]1CN(c2nc3ccccc3nc2NCC(=O)c2ccc([O-])c(O)c2)C[C@H](C)O1 ZINC001170315831 1077941504 /nfs/dbraw/zinc/94/15/04/1077941504.db2.gz HJZZHXQUCRZXDD-OKILXGFUSA-N -1 1 408.458 2.949 20 10 HFCDMM CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000789944290 1077862266 /nfs/dbraw/zinc/86/22/66/1077862266.db2.gz QEQLOFKGUWQYOF-GFCCVEGCSA-N -1 1 410.467 2.758 20 10 HFCDMM CC(C)N(C(C)C)S(=O)(=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC001170316459 1077941490 /nfs/dbraw/zinc/94/14/90/1077941490.db2.gz RYSPGXHKCXBCDQ-UHFFFAOYSA-N -1 1 407.492 2.595 20 10 HFCDMM CCOC(=O)Cc1c(Cl)nc(Cl)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170316907 1077941523 /nfs/dbraw/zinc/94/15/23/1077941523.db2.gz UVSQIWNDTWHZTF-UHFFFAOYSA-N -1 1 400.218 2.595 20 10 HFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnn(CCO)c1-c1ccccc1 ZINC000793973179 1078349913 /nfs/dbraw/zinc/34/99/13/1078349913.db2.gz ZXFXMXCRNJQHQP-UHFFFAOYSA-N -1 1 416.275 2.941 20 10 HFCDMM O=C(CNc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC001170314660 1077940833 /nfs/dbraw/zinc/94/08/33/1077940833.db2.gz XHJGOUJLXPUHHU-UHFFFAOYSA-N -1 1 408.370 2.948 20 10 HFCDMM C[C@H]1CN(c2nc3ccccc3nc2NCC(=O)c2ccc([O-])c(O)c2)C[C@H](C)O1 ZINC001170315830 1077941545 /nfs/dbraw/zinc/94/15/45/1077941545.db2.gz HJZZHXQUCRZXDD-KBPBESRZSA-N -1 1 408.458 2.949 20 10 HFCDMM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(I)ccc1[O-] ZINC000790865350 1078182366 /nfs/dbraw/zinc/18/23/66/1078182366.db2.gz HUXGLEJYQWNFGO-SECBINFHSA-N -1 1 413.211 2.769 20 10 HFCDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1 ZINC000788745708 1077288211 /nfs/dbraw/zinc/28/82/11/1077288211.db2.gz KIADOIBCZIJCEK-UHFFFAOYSA-N -1 1 404.488 2.809 20 10 HFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(NCC(F)(F)F)c2)c1 ZINC000791187703 1077318406 /nfs/dbraw/zinc/31/84/06/1077318406.db2.gz ZHVMYQPODHFBAY-UHFFFAOYSA-N -1 1 403.382 2.990 20 10 HFCDMM CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000789766969 1077769000 /nfs/dbraw/zinc/76/90/00/1077769000.db2.gz BTENELVNOYMNDJ-UHFFFAOYSA-N -1 1 412.468 2.574 20 10 HFCDMM Cc1ccc(CNC(=O)C2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1F ZINC000789956170 1077867999 /nfs/dbraw/zinc/86/79/99/1077867999.db2.gz CJOHYTVLQDTSRT-UHFFFAOYSA-N -1 1 404.413 2.853 20 10 HFCDMM CCOC(=O)C(=Cc1cc(C)c(C)nc1Nc1nc(=O)[n-]c2[nH]c(=O)[nH]c21)N=[N+]=[N-] ZINC001170216959 1077909762 /nfs/dbraw/zinc/90/97/62/1077909762.db2.gz IONKUUXNTPOFQL-POHAHGRESA-N -1 1 411.382 2.685 20 10 HFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2 ZINC000790072058 1077921956 /nfs/dbraw/zinc/92/19/56/1077921956.db2.gz WCEWFMFLUMSOED-UHFFFAOYSA-N -1 1 406.529 2.862 20 10 HFCDMM O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1c(F)ccc(O)c1[O-] ZINC000790066222 1077937416 /nfs/dbraw/zinc/93/74/16/1077937416.db2.gz ZEBFRUKGSAUZSM-UVTDQMKNSA-N -1 1 402.403 2.703 20 10 HFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790410808 1078020557 /nfs/dbraw/zinc/02/05/57/1078020557.db2.gz CSOAEMIETXYBBT-UHFFFAOYSA-N -1 1 401.824 2.952 20 10 HFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC ZINC000790415317 1078021566 /nfs/dbraw/zinc/02/15/66/1078021566.db2.gz DEKDSJVFCFHYLC-UHFFFAOYSA-N -1 1 414.505 2.526 20 10 HFCDMM C[C@@H]1CC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000804855980 1078727338 /nfs/dbraw/zinc/72/73/38/1078727338.db2.gz WCDZVYZFFFGUMG-BZNIZROVSA-N -1 1 405.432 2.630 20 10 HFCDMM O=C(NCc1ncnn1-c1ccccc1)NCc1cccc(Br)c1[O-] ZINC000787348225 1076790238 /nfs/dbraw/zinc/79/02/38/1076790238.db2.gz OJAOILOZQWDRAI-UHFFFAOYSA-N -1 1 402.252 2.735 20 10 HFCDMM CN1CCCc2cc(CNC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)ccc21 ZINC000746814798 1077582325 /nfs/dbraw/zinc/58/23/25/1077582325.db2.gz WWGVKXCRINSZMZ-UHFFFAOYSA-N -1 1 405.520 2.669 20 10 HFCDMM O=C(CNc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1)c1ccc([O-])c(O)c1 ZINC001170314558 1077940866 /nfs/dbraw/zinc/94/08/66/1077940866.db2.gz DFFCZMJENGQBQB-UHFFFAOYSA-N -1 1 423.450 2.979 20 10 HFCDMM O=C(CNc1c2nccn2ccc1I)c1ccc([O-])c(O)c1 ZINC001170314823 1077941218 /nfs/dbraw/zinc/94/12/18/1077941218.db2.gz IYIHBEORUFKGAU-UHFFFAOYSA-N -1 1 409.183 2.645 20 10 HFCDMM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(O)cc3SC)ccc2O1 ZINC000792701923 1077978372 /nfs/dbraw/zinc/97/83/72/1077978372.db2.gz HVDZGNFQNIXRTL-MRXNPFEDSA-N -1 1 409.485 2.782 20 10 HFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000790417156 1078021606 /nfs/dbraw/zinc/02/16/06/1078021606.db2.gz JBPXQIVBSGSUEE-UHFFFAOYSA-N -1 1 424.544 2.930 20 10 HFCDMM COCc1ccccc1CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000805081143 1078912473 /nfs/dbraw/zinc/91/24/73/1078912473.db2.gz UAATZPFVONCIJC-UHFFFAOYSA-N -1 1 400.294 2.921 20 10 HFCDMM Cc1ccc(-c2noc(CN3CCN(C(=O)c4c(F)ccc(O)c4[O-])CC3)n2)cc1 ZINC000789946918 1077864064 /nfs/dbraw/zinc/86/40/64/1077864064.db2.gz RZBARVZCILYPGH-UHFFFAOYSA-N -1 1 412.421 2.553 20 10 HFCDMM COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000789952489 1077866050 /nfs/dbraw/zinc/86/60/50/1077866050.db2.gz FTNXGXHZPBKMDD-KRWDZBQOSA-N -1 1 422.840 2.562 20 10 HFCDMM O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1c(F)ccc(O)c1[O-] ZINC000790066221 1077937390 /nfs/dbraw/zinc/93/73/90/1077937390.db2.gz ZEBFRUKGSAUZSM-GXDHUFHOSA-N -1 1 402.403 2.703 20 10 HFCDMM CC(C)n1cnc([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)n1 ZINC001130689031 1079847631 /nfs/dbraw/zinc/84/76/31/1079847631.db2.gz LNYUNGGCHGFBQV-UHFFFAOYSA-N -1 1 405.370 2.795 20 10 HFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000747361010 1080073592 /nfs/dbraw/zinc/07/35/92/1080073592.db2.gz GQBOPZHZDHXWBI-VXGBXAGGSA-N -1 1 420.510 2.895 20 10 HFCDMM Cc1ccc(-n2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])cn2)c(C)c1 ZINC000787405506 1076809652 /nfs/dbraw/zinc/80/96/52/1076809652.db2.gz DOFPSPZIFFXRSA-UHFFFAOYSA-N -1 1 400.460 2.819 20 10 HFCDMM COc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1[N-]S(C)(=O)=O ZINC000746983282 1077311151 /nfs/dbraw/zinc/31/11/51/1077311151.db2.gz YBPBDBJIIXRKNH-UHFFFAOYSA-N -1 1 418.519 2.771 20 10 HFCDMM C[C@@H]1C[C@@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000792527278 1077887146 /nfs/dbraw/zinc/88/71/46/1077887146.db2.gz CPOVZYWKEKAQMI-VXGBXAGGSA-N -1 1 405.432 2.724 20 10 HFCDMM COc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc(Br)c1OC ZINC000792448223 1077853180 /nfs/dbraw/zinc/85/31/80/1077853180.db2.gz QWPYYBCJDPIZPQ-UHFFFAOYSA-N -1 1 411.204 2.917 20 10 HFCDMM O=C(CNc1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1)c1ccc([O-])c(O)c1 ZINC001170315637 1077941516 /nfs/dbraw/zinc/94/15/16/1077941516.db2.gz DMNZBHMCYYJJRY-UHFFFAOYSA-N -1 1 423.448 2.648 20 10 HFCDMM CC(=O)c1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000807057783 1080239941 /nfs/dbraw/zinc/23/99/41/1080239941.db2.gz IHGBOSXZGDEWIY-UHFFFAOYSA-N -1 1 409.211 2.751 20 10 HFCDMM Cn1cc(-c2ccc(NC(=O)NCc3cccc(Br)c3[O-])nn2)cn1 ZINC000788786428 1077302674 /nfs/dbraw/zinc/30/26/74/1077302674.db2.gz MXGVNZGQMOVGHR-UHFFFAOYSA-N -1 1 403.240 2.667 20 10 HFCDMM CC(C)(F)CNC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC001170364951 1077950785 /nfs/dbraw/zinc/95/07/85/1077950785.db2.gz SFVJXZDXEXFUGJ-UHFFFAOYSA-N -1 1 411.411 2.579 20 10 HFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000790415167 1078021344 /nfs/dbraw/zinc/02/13/44/1078021344.db2.gz AKHYCOUNSDVWTK-UHFFFAOYSA-N -1 1 410.517 2.540 20 10 HFCDMM C[C@@H](c1ccccc1)N(C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(N)cc1 ZINC000807001669 1080179191 /nfs/dbraw/zinc/17/91/91/1080179191.db2.gz BNLIRDIUBYZPBL-HNNXBMFYSA-N -1 1 414.469 2.657 20 10 HFCDMM CCN1CCN(c2ccc(CNC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2F)CC1 ZINC000780569682 939133681 /nfs/dbraw/zinc/13/36/81/939133681.db2.gz VZZBYENHIRJFSL-HXUWFJFHSA-N -1 1 420.529 2.800 20 10 HFCDMM Cn1c2cc(NCc3cccc(Br)c3[O-])c([N+](=O)[O-])cc2n(C)c1=O ZINC000804654696 1078485732 /nfs/dbraw/zinc/48/57/32/1078485732.db2.gz WWGSNVVIRKUVTG-UHFFFAOYSA-N -1 1 407.224 2.865 20 10 HFCDMM COc1cccc(C2=NO[C@@H](C(=O)NCc3cccc(Br)c3[O-])C2)c1 ZINC000792484944 1077877824 /nfs/dbraw/zinc/87/78/24/1077877824.db2.gz YXDMIGCZBJVQBH-MRXNPFEDSA-N -1 1 405.248 2.973 20 10 HFCDMM CCOC(=O)C(Cc1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1)C(=O)OCC ZINC001170321638 1077943065 /nfs/dbraw/zinc/94/30/65/1077943065.db2.gz BAIRPYGQFVYDFO-UHFFFAOYSA-N -1 1 415.442 2.678 20 10 HFCDMM O=C(NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)c1c(F)ccc(O)c1[O-] ZINC000790070669 1077921191 /nfs/dbraw/zinc/92/11/91/1077921191.db2.gz YRYDTFVUDYAEHG-NTEUORMPSA-N -1 1 420.393 2.842 20 10 HFCDMM COC(=O)c1cc(Br)c(OC)c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170320642 1077942639 /nfs/dbraw/zinc/94/26/39/1077942639.db2.gz GNRSWLHMVYAIDO-UHFFFAOYSA-N -1 1 410.220 2.950 20 10 HFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000790411971 1078020950 /nfs/dbraw/zinc/02/09/50/1078020950.db2.gz XSRXENFTXCNUPB-UHFFFAOYSA-N -1 1 401.824 2.709 20 10 HFCDMM CCOC(=O)c1c(NC(=O)COC(=O)c2cn[n-]n2)sc(C)c1-c1ccccc1 ZINC000805606460 1079153403 /nfs/dbraw/zinc/15/34/03/1079153403.db2.gz IUFGOSSRFQGMSH-UHFFFAOYSA-N -1 1 414.443 2.814 20 10 HFCDMM COc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1Br ZINC000746694380 1076873021 /nfs/dbraw/zinc/87/30/21/1076873021.db2.gz UEBQVVFZMYASNF-UHFFFAOYSA-N -1 1 415.265 2.787 20 10 HFCDMM O=C(c1cccc(NCc2cccc(Br)c2[O-])n1)N1CCC[C@@H]1CO ZINC000788744708 1077288031 /nfs/dbraw/zinc/28/80/31/1077288031.db2.gz ZHEXMJTVHNZYSW-CYBMUJFWSA-N -1 1 406.280 2.759 20 10 HFCDMM Cc1ccccc1CCc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1 ZINC000792452169 1077855132 /nfs/dbraw/zinc/85/51/32/1077855132.db2.gz GPSANFXJUPSMST-UHFFFAOYSA-N -1 1 414.487 2.833 20 10 HFCDMM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)NC)cc2)c1 ZINC000790071658 1077921671 /nfs/dbraw/zinc/92/16/71/1077921671.db2.gz OCPVCWKZPGAHDX-UHFFFAOYSA-N -1 1 417.940 2.969 20 10 HFCDMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000787318478 1076761519 /nfs/dbraw/zinc/76/15/19/1076761519.db2.gz AEVORSPRUGVHFN-SNVBAGLBSA-N -1 1 415.851 2.958 20 10 HFCDMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000787719070 1076925203 /nfs/dbraw/zinc/92/52/03/1076925203.db2.gz MUIZLUXUETYXPO-HWWDLCQESA-N -1 1 417.443 2.630 20 10 HFCDMM Cn1cc([C@H](NC(=O)NCc2cccc(Br)c2[O-])C(F)(F)F)cn1 ZINC000772790287 1077737920 /nfs/dbraw/zinc/73/79/20/1077737920.db2.gz FVIHWDBZKCKBMD-LBPRGKRZSA-N -1 1 407.190 2.991 20 10 HFCDMM Cc1ccc(F)cc1-c1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000792534424 1077890611 /nfs/dbraw/zinc/89/06/11/1077890611.db2.gz JOAPDHMCWWRLTJ-UHFFFAOYSA-N -1 1 422.463 2.982 20 10 HFCDMM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000790068625 1077920616 /nfs/dbraw/zinc/92/06/16/1077920616.db2.gz PUCFEVNMWJMCIK-UHFFFAOYSA-N -1 1 402.831 2.696 20 10 HFCDMM Cc1cn2ccc(I)c(NCC(=O)c3ccc([O-])c(O)c3)c2n1 ZINC001170314830 1077941181 /nfs/dbraw/zinc/94/11/81/1077941181.db2.gz JCCCXTCGLFRYLU-UHFFFAOYSA-N -1 1 423.210 2.953 20 10 HFCDMM C[C@H]1CC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000804855982 1078727205 /nfs/dbraw/zinc/72/72/05/1078727205.db2.gz WCDZVYZFFFGUMG-ZBEGNZNMSA-N -1 1 405.432 2.630 20 10 HFCDMM COc1cc(Br)c(CNC(=O)c2c([O-])c(O)ccc2F)cc1OC ZINC000789974877 1077878735 /nfs/dbraw/zinc/87/87/35/1077878735.db2.gz WADNLJDIMMXQFA-UHFFFAOYSA-N -1 1 400.200 2.947 20 10 HFCDMM O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000790069718 1077920827 /nfs/dbraw/zinc/92/08/27/1077920827.db2.gz PORKYAFINPKRRD-UHFFFAOYSA-N -1 1 412.339 2.854 20 10 HFCDMM CCN1CCN(c2ccc(CNC(=O)NC3(C(=O)[O-])CCCCC3)cc2F)CC1 ZINC000780569502 939134009 /nfs/dbraw/zinc/13/40/09/939134009.db2.gz SFVUVUDMZOTKFX-UHFFFAOYSA-N -1 1 406.502 2.554 20 10 HFCDMM CCOC(COc1cc(Cl)nnc1NCC(=O)c1ccc([O-])c(O)c1)OCC ZINC001170316810 1077941472 /nfs/dbraw/zinc/94/14/72/1077941472.db2.gz PJVGBHJCORYARD-UHFFFAOYSA-N -1 1 411.842 2.614 20 10 HFCDMM CCOC(=O)C1([S@@](C)=O)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC001170364467 1077950805 /nfs/dbraw/zinc/95/08/05/1077950805.db2.gz FWVLERNSOPFWFY-AREMUKBSSA-N -1 1 401.912 2.524 20 10 HFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000790416152 1078021360 /nfs/dbraw/zinc/02/13/60/1078021360.db2.gz UBMHETFWQTTYPP-UHFFFAOYSA-N -1 1 412.533 2.786 20 10 HFCDMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3)ccnc1-2 ZINC000806491605 1079743126 /nfs/dbraw/zinc/74/31/26/1079743126.db2.gz OHXQPDXDOCBCBY-CYBMUJFWSA-N -1 1 416.432 2.734 20 10 HFCDMM C[C@@H]1C[C@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000792527277 1077887044 /nfs/dbraw/zinc/88/70/44/1077887044.db2.gz CPOVZYWKEKAQMI-TXEJJXNPSA-N -1 1 405.432 2.724 20 10 HFCDMM C[C@H]1C[C@H](C)N1C(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000792527275 1077887172 /nfs/dbraw/zinc/88/71/72/1077887172.db2.gz CPOVZYWKEKAQMI-RYUDHWBXSA-N -1 1 405.432 2.724 20 10 HFCDMM O=C(CNc1ncc(NC(=O)c2ccc(F)c(F)c2)cn1)c1ccc([O-])c(O)c1 ZINC001170317052 1077941512 /nfs/dbraw/zinc/94/15/12/1077941512.db2.gz XBFYBEQXPUSFEC-UHFFFAOYSA-N -1 1 400.341 2.713 20 10 HFCDMM O=C(CNc1nnc(Br)cc1Br)c1ccc([O-])c(O)c1 ZINC001170322646 1077943369 /nfs/dbraw/zinc/94/33/69/1077943369.db2.gz KFFDOXKLXYQUEA-UHFFFAOYSA-N -1 1 403.030 2.708 20 10 HFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000792702773 1077978620 /nfs/dbraw/zinc/97/86/20/1077978620.db2.gz ZXMHTLAJAUFAJD-UHFFFAOYSA-N -1 1 406.489 2.622 20 10 HFCDMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)c(Br)n1C ZINC000805067681 1078877914 /nfs/dbraw/zinc/87/79/14/1078877914.db2.gz ZMHGDMXAWGKMPY-SNVBAGLBSA-N -1 1 401.330 2.597 20 10 HFCDMM CS(=O)(=O)N1CCC(c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2)CC1 ZINC001170322300 1077943329 /nfs/dbraw/zinc/94/33/29/1077943329.db2.gz JKYTVMHWIOJAET-UHFFFAOYSA-N -1 1 404.488 2.532 20 10 HFCDMM CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000804777366 1078601867 /nfs/dbraw/zinc/60/18/67/1078601867.db2.gz ZSIGVACYOVDTQO-HNNXBMFYSA-N -1 1 423.560 2.859 20 10 HFCDMM CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000804777366 1078601875 /nfs/dbraw/zinc/60/18/75/1078601875.db2.gz ZSIGVACYOVDTQO-HNNXBMFYSA-N -1 1 423.560 2.859 20 10 HFCDMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)c(Br)n1C ZINC000805067680 1078878040 /nfs/dbraw/zinc/87/80/40/1078878040.db2.gz ZMHGDMXAWGKMPY-JTQLQIEISA-N -1 1 401.330 2.597 20 10 HFCDMM CCN(CCC[NH+](C)C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000787534211 1076851217 /nfs/dbraw/zinc/85/12/17/1076851217.db2.gz UQSZTWKNOCXLGN-UHFFFAOYSA-N -1 1 411.549 2.668 20 10 HFCDMM Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C(=O)N(C)C(C)C ZINC000787638839 1076892210 /nfs/dbraw/zinc/89/22/10/1076892210.db2.gz RUYCTUHDTAVUMV-UHFFFAOYSA-N -1 1 419.503 2.805 20 10 HFCDMM CCOC(=O)c1nc(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n[n-]1 ZINC000787905926 1076989503 /nfs/dbraw/zinc/98/95/03/1076989503.db2.gz JPCFOZDLRZBLKV-UHFFFAOYSA-N -1 1 401.854 2.972 20 10 HFCDMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n1 ZINC000787905926 1076989506 /nfs/dbraw/zinc/98/95/06/1076989506.db2.gz JPCFOZDLRZBLKV-UHFFFAOYSA-N -1 1 401.854 2.972 20 10 HFCDMM CN(c1ccccc1)S(=O)(=O)c1cccnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170316759 1077941529 /nfs/dbraw/zinc/94/15/29/1077941529.db2.gz NFGCWMTZPYZNPN-UHFFFAOYSA-N -1 1 413.455 2.613 20 10 HFCDMM COC(=O)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1OC(C)C ZINC000792851057 1078014570 /nfs/dbraw/zinc/01/45/70/1078014570.db2.gz SEUKDWCKNCFGHJ-UHFFFAOYSA-N -1 1 422.459 2.590 20 10 HFCDMM C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806324726 1079596959 /nfs/dbraw/zinc/59/69/59/1079596959.db2.gz LBFIDFXJBZHXLO-XEZPLFJOSA-N -1 1 400.445 2.740 20 10 HFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2c(-c3ccco3)nc3ccccn32)c1 ZINC000793717937 1078263897 /nfs/dbraw/zinc/26/38/97/1078263897.db2.gz NRPHFXSBLWZMPZ-UHFFFAOYSA-N -1 1 412.427 2.924 20 10 HFCDMM CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1cccc(Br)c1[O-])CC2 ZINC000792177519 1077735632 /nfs/dbraw/zinc/73/56/32/1077735632.db2.gz VBXJGZCRMPESGA-UHFFFAOYSA-N -1 1 411.321 2.968 20 10 HFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000790416318 1078021699 /nfs/dbraw/zinc/02/16/99/1078021699.db2.gz UNUUKJVEWSWWIF-UHFFFAOYSA-N -1 1 407.404 2.620 20 10 HFCDMM CCN1CCN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2F)CC1 ZINC000780569681 939133882 /nfs/dbraw/zinc/13/38/82/939133882.db2.gz VZZBYENHIRJFSL-FQEVSTJZSA-N -1 1 420.529 2.800 20 10 HFCDMM CC(C)=CCNC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000791002231 1077265132 /nfs/dbraw/zinc/26/51/32/1077265132.db2.gz KZMVIWVFMOLVEP-UHFFFAOYSA-N -1 1 405.432 2.797 20 10 HFCDMM O=C(c1cccc(NCc2cccc(Br)c2[O-])n1)N1CCC[C@H]1CO ZINC000788744709 1077287923 /nfs/dbraw/zinc/28/79/23/1077287923.db2.gz ZHEXMJTVHNZYSW-ZDUSSCGKSA-N -1 1 406.280 2.759 20 10 HFCDMM COc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1[N-]S(C)(=O)=O ZINC000746978660 1077298076 /nfs/dbraw/zinc/29/80/76/1077298076.db2.gz ZLDQKMNRTYNKGH-UHFFFAOYSA-N -1 1 410.471 2.594 20 10 HFCDMM O=C(CNc1nc(Cl)nc2c1CN(Cc1ccccc1)C2=O)c1ccc([O-])c(O)c1 ZINC001170313890 1077940887 /nfs/dbraw/zinc/94/08/87/1077940887.db2.gz HOZZHPVQCOXLLE-UHFFFAOYSA-N -1 1 424.844 2.992 20 10 HFCDMM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)ccc1OC ZINC000792702735 1077978595 /nfs/dbraw/zinc/97/85/95/1077978595.db2.gz FGBOUUJONMRAKQ-UHFFFAOYSA-N -1 1 410.517 2.950 20 10 HFCDMM Cn1[n-]cc2c(=NC(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)ccnc1-2 ZINC000806492734 1079744177 /nfs/dbraw/zinc/74/41/77/1079744177.db2.gz MXFBYPALXCGHNT-UHFFFAOYSA-N -1 1 416.432 2.734 20 10 HFCDMM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(I)ccc1[O-] ZINC000790865743 1078164070 /nfs/dbraw/zinc/16/40/70/1078164070.db2.gz HUXGLEJYQWNFGO-VIFPVBQESA-N -1 1 413.211 2.769 20 10 HFCDMM CSc1nc(C)c(CCC(=O)NCc2cc(Br)ccc2O)c(=O)[n-]1 ZINC000804734613 1078592704 /nfs/dbraw/zinc/59/27/04/1078592704.db2.gz SUWMZSKHJMCOES-UHFFFAOYSA-N -1 1 412.309 2.930 20 10 HFCDMM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1OC ZINC000790339105 1078006727 /nfs/dbraw/zinc/00/67/27/1078006727.db2.gz GUTWBVGSWJSMSZ-UHFFFAOYSA-N -1 1 420.896 2.530 20 10 HFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000790409703 1078020204 /nfs/dbraw/zinc/02/02/04/1078020204.db2.gz VBYMBQOERRXKAL-UHFFFAOYSA-N -1 1 413.423 2.974 20 10 HFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000790415182 1078021482 /nfs/dbraw/zinc/02/14/82/1078021482.db2.gz APMUXLUSEHDDAD-UHFFFAOYSA-N -1 1 410.517 2.540 20 10 HFCDMM COc1cccc(C2=NO[C@H](C(=O)NCc3cccc(Br)c3[O-])C2)c1 ZINC000792484941 1077878029 /nfs/dbraw/zinc/87/80/29/1077878029.db2.gz YXDMIGCZBJVQBH-INIZCTEOSA-N -1 1 405.248 2.973 20 10 HFCDMM O=C(CNc1c(Br)cnn(-c2ccccc2)c1=O)c1ccc([O-])c(O)c1 ZINC001170314511 1077940919 /nfs/dbraw/zinc/94/09/19/1077940919.db2.gz BPNFQTGLDHBXAR-UHFFFAOYSA-N -1 1 416.231 2.701 20 10 HFCDMM Cc1csc2c1nc(NCC(=O)c1ccc([O-])c(O)c1)nc2N1CCOCC1 ZINC001170316764 1077941574 /nfs/dbraw/zinc/94/15/74/1077941574.db2.gz NJCYMBSAMNUWLP-UHFFFAOYSA-N -1 1 400.460 2.542 20 10 HFCDMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1F ZINC000792702304 1077978125 /nfs/dbraw/zinc/97/81/25/1077978125.db2.gz QFOZGQUUIHAELY-UHFFFAOYSA-N -1 1 420.509 2.816 20 10 HFCDMM O=S(=O)([N-]c1ccc(O)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000790382703 1078009815 /nfs/dbraw/zinc/00/98/15/1078009815.db2.gz ZLVFTLNTIQKYGU-UHFFFAOYSA-N -1 1 410.517 2.758 20 10 HFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000747361008 1080073038 /nfs/dbraw/zinc/07/30/38/1080073038.db2.gz GQBOPZHZDHXWBI-RYUDHWBXSA-N -1 1 420.510 2.895 20 10 HFCDMM CC(C)(O)c1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000807057615 1080240145 /nfs/dbraw/zinc/24/01/45/1080240145.db2.gz GUGGLKCZUGWNTE-UHFFFAOYSA-N -1 1 407.264 2.637 20 10 HFCDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCC(C(N)=O)CC3)c2)c1 ZINC000772828321 1078090888 /nfs/dbraw/zinc/09/08/88/1078090888.db2.gz NQBATLFCAQLNFX-UHFFFAOYSA-N -1 1 415.515 2.782 20 10 HFCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000805703750 1079224687 /nfs/dbraw/zinc/22/46/87/1079224687.db2.gz BJMWKYFTBUUOKD-UHFFFAOYSA-N -1 1 412.847 2.730 20 10 HFCDMM CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000789944291 1077862224 /nfs/dbraw/zinc/86/22/24/1077862224.db2.gz QEQLOFKGUWQYOF-LBPRGKRZSA-N -1 1 410.467 2.758 20 10 HFCDMM COc1ccc(CN2CCc3c2ncnc3NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170317082 1077941590 /nfs/dbraw/zinc/94/15/90/1077941590.db2.gz YAHGDVJBXNMRQS-UHFFFAOYSA-N -1 1 406.442 2.754 20 10 HFCDMM CCN(Cc1cc(Br)ccc1O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806491315 1079741324 /nfs/dbraw/zinc/74/13/24/1079741324.db2.gz XFGBQEJWRYIDFG-UHFFFAOYSA-N -1 1 404.268 2.864 20 10 HFCDMM C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806634915 1079891657 /nfs/dbraw/zinc/89/16/57/1079891657.db2.gz NRYZNGHIEGIGJY-MKBNYLNASA-N -1 1 418.435 2.879 20 10 HFCDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1cc(Br)ccc1O ZINC000804738129 1078596895 /nfs/dbraw/zinc/59/68/95/1078596895.db2.gz CWVXMRMCALPUMA-UHFFFAOYSA-N -1 1 419.279 2.769 20 10 HFCDMM C[C@@H]1CC[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000804855977 1078726785 /nfs/dbraw/zinc/72/67/85/1078726785.db2.gz WCDZVYZFFFGUMG-BDJLRTHQSA-N -1 1 405.432 2.630 20 10 HFCDMM Cn1cc([C@@H](NC(=O)NCc2cccc(Br)c2[O-])C(F)(F)F)cn1 ZINC000772790286 1077737854 /nfs/dbraw/zinc/73/78/54/1077737854.db2.gz FVIHWDBZKCKBMD-GFCCVEGCSA-N -1 1 407.190 2.991 20 10 HFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1nc2c(s1)CCCC2 ZINC000789782033 1077791644 /nfs/dbraw/zinc/79/16/44/1077791644.db2.gz ABJGGLYAEZTYDB-UHFFFAOYSA-N -1 1 410.293 2.745 20 10 HFCDMM CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)cc1 ZINC000789940033 1077860649 /nfs/dbraw/zinc/86/06/49/1077860649.db2.gz WFDHJVJEYICXHB-UHFFFAOYSA-N -1 1 422.478 2.507 20 10 HFCDMM